data_r5cawsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2015-07-22 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5caw 
_cell.length_a      49.1702 
_cell.length_b      44.1201 
_cell.length_c      204.5310 
_cell.angle_alpha   90.0000 
_cell.angle_beta    92.5500 
_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   0.97949 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.620 
_diffrn_reflns.pdbx_d_res_low    204.328 
_diffrn_reflns.limit_h_max       18 
_diffrn_reflns.limit_h_min       -18 
_diffrn_reflns.limit_k_max       16 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       78 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            26947 
_diffrn_reflns.pdbx_number_obs   26808 
# 
_entry.id   5caw 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5caw 
_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 -18 0  1  o 29.868   17.186  11.408     14.358  11.408     14.358  11.408     14.358  29.868  17.186  29.868  17.186  0.000000       0.000000 
1 1 1 -18 0  2  o 31.421   17.761  13.141     14.960  13.141     14.960  13.141     14.960  31.421  17.761  31.421  17.761  0.000000       0.000000 
1 1 1 -18 0  3  o 40.684   20.600  23.925     18.218  23.925     18.218  23.925     18.218  40.684  20.600  40.684  20.600  -0.000000      0.000000 
1 1 1 -18 0  4  o 80.997   26.537  82.193     33.270  82.193     33.270  82.193     33.270  80.997  26.537  80.997  26.537  0.000000       0.000000 
1 1 1 -18 0  5  o 26.036   16.461  4.2887     16.023  4.2887     16.023  4.2887     16.023  26.036  16.461  26.036  16.461  0.000000       0.000000 
1 1 1 -18 0  6  o 72.259   21.266  60.461     23.317  60.461     23.317  60.461     23.317  72.259  21.266  72.259  21.266  0.000000       0.000000 
1 1 1 -18 0  7  o 33.154   17.967  15.286     14.587  15.286     14.587  15.286     14.587  33.154  17.967  33.154  17.967  0.000000       0.000000 
1 1 1 -18 0  8  o 14.514   10.111  -8.0138    9.2124  -8.0138    9.2124  -8.0138    9.2124  14.514  10.111  14.514  10.111  -0.000000      0.000000 
1 1 1 -18 0  9  o 39.380   19.060  21.874     15.282  21.874     15.282  21.874     15.282  39.380  19.060  39.380  19.060  -0.000000      0.000000 
1 1 1 -18 0  10 o 64.663   20.672  49.751     20.573  49.751     20.573  49.751     20.573  64.663  20.672  64.663  20.672  -0.000000      0.000000 
1 1 1 -18 0  11 o 42.005   20.808  25.558     18.386  25.558     18.386  25.558     18.386  42.005  20.808  42.005  20.808  0.000000       0.000000 
1 1 1 -18 0  12 o 34.111   19.472  15.868     18.215  15.868     18.215  15.868     18.215  34.111  19.472  34.111  19.472  0.000000       0.000000 
1 1 1 -18 0  13 o 21.260   14.180  -3.0352    14.338  -3.0352    14.338  -3.0352    14.338  21.260  14.180  21.260  14.180  -0.000000      0.000000 
1 1 1 -18 0  14 o 21.717   14.491  -3.1128    14.993  -3.1128    14.993  -3.1128    14.993  21.717  14.491  21.717  14.491  0.000000       0.000000 
1 1 1 -18 0  15 f 58.578   29.170  55.973     36.211  55.973     36.211  55.973     36.211  58.578  29.170  58.578  29.170  0.000000       0.000000 
1 1 1 -18 0  16 o 19.413   13.940  -33.4288   22.639  -33.4288   22.639  -33.4288   22.639  19.413  13.940  19.413  13.940  0.000000       0.000000 
1 1 1 -18 0  17 o 43.300   25.710  28.462     33.849  28.462     33.849  28.462     33.849  43.300  25.710  43.300  25.710  0.000000       0.000000 
1 1 1 -18 0  18 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -18 0  19 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -18 0  20 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -18 0  21 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -18 0  22 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -18 0  23 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -18 0  24 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -18 0  25 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -18 1  1  o 45.302   15.138  22.377     14.065  8.9979     26.007  27.908     16.721  40.914  18.178  49.438  16.506  -8.524376      24.55396 
1 1 1 -18 1  2  o 58.595   15.134  37.785     15.592  49.534     28.840  32.933     18.534  60.284  21.594  53.031  17.362  7.253807       27.70860 
1 1 1 -18 1  3  o 45.719   14.602  22.457     13.160  21.730     23.779  22.778     15.800  46.012  18.762  45.752  16.022  0.2600975      24.67222 
1 1 1 -18 1  4  o 52.570   15.189  30.320     14.726  21.738     26.264  34.255     17.784  46.677  19.441  54.658  16.910  -7.981167      25.76626 
1 1 1 -18 1  5  o 27.168   11.215  3.6246     8.6274  6.1028     13.236  1.7940     11.376  32.993  13.777  28.712  12.404  4.280704       18.53806 
1 1 1 -18 1  6  o 63.379   13.263  41.497     14.206  43.455     21.733  40.036     18.772  60.287  18.700  59.149  17.167  1.138397       25.38447 
1 1 1 -18 1  7  o 47.617   13.980  23.916     12.386  29.772     20.401  20.497     15.587  51.085  18.177  44.353  15.877  6.732658       24.13423 
1 1 1 -18 1  8  o 48.362   15.083  25.089     14.118  55.415     35.041  19.212     15.425  62.942  23.593  43.418  15.761  19.52450       28.37295 
1 1 1 -18 1  9  o 49.751   16.653  27.207     17.021  73.928     31.752  8.3679     20.162  75.085  22.469  38.837  16.642  36.24778       27.96108 
1 1 1 -18 1  10 o 47.806   16.739  24.607     17.245  59.632     34.377  12.829     19.935  65.709  23.572  41.014  16.998  24.69444       29.06154 
1 1 1 -18 1  11 o 36.752   14.126  11.515     12.751  13.077     29.755  11.164     14.112  45.099  19.763  37.213  14.698  7.885639       24.62917 
1 1 1 -18 1  12 o 22.564   10.381  -5.2758    9.4103  38.506     29.772  -10.1355   9.9189  56.154  21.584  21.068  9.9981  35.08583       23.78748 
1 1 1 -18 1  13 o 24.847   11.147  -2.5552    10.033  -9.6203    24.644  -1.1515    10.985  35.202  16.404  26.773  11.859  8.428347       20.24173 
1 1 1 -18 1  14 o 55.242   16.739  33.736     17.541  0.0000     0.0000  33.736     17.541  ?       ?       55.242  16.739  0.000000       16.73881 
1 1 1 -18 1  15 o 45.940   14.919  21.981     13.695  46.370     24.588  11.011     16.490  62.147  19.972  38.527  15.657  23.61965       25.37743 
1 1 1 -18 1  16 o 94.045   11.164  85.533     17.974  60.803     24.739  113.180    26.158  72.213  19.265  104.858 14.690  -32.64479      24.22642 
1 1 1 -18 1  17 o 49.922   18.781  26.769     22.245  0.0000     0.0000  26.769     22.245  ?       ?       49.922  18.781  0.000000       18.78115 
1 1 1 -18 1  18 o 50.506   16.997  27.691     17.731  30.943     26.984  25.220     23.523  52.679  20.465  49.212  19.111  3.466652       28.00105 
1 1 1 -18 1  19 o 78.675   15.680  65.509     20.783  54.944     32.788  72.606     26.872  64.740  23.042  78.999  19.580  -14.25861      30.23755 
1 1 1 -18 1  20 o 78.686   16.635  66.932     22.141  46.184     37.780  77.786     27.325  59.744  23.902  82.155  19.365  -22.41098      30.76233 
1 1 1 -18 1  21 o 42.915   16.947  16.420     18.757  8.7656     28.764  22.084     24.742  43.593  19.255  47.822  19.269  -4.228600      27.24024 
1 1 1 -18 1  22 o 69.184   17.321  53.057     20.876  61.873     29.593  44.325     29.453  70.115  21.833  59.768  21.766  10.34707       30.82889 
1 1 1 -18 1  23 o 72.960   20.257  63.632     26.722  61.729     31.659  68.348     49.829  68.964  22.698  66.499  27.142  2.465256       35.38208 
1 1 1 -18 1  24 o 63.651   23.947  54.677     36.165  54.677     36.165  0.0000     0.0000  63.651  23.947  ?       ?       0.000000       23.94677 
1 1 1 -18 2  1  o 30.419   12.358  6.1827     10.268  -4.4512    15.547  14.410     13.675  29.205  13.402  38.527  14.671  -9.322708      19.87143 
1 1 1 -18 2  2  o 42.821   13.808  19.495     11.745  29.465     18.297  12.508     15.317  50.111  17.259  37.898  15.199  12.21298       22.99775 
1 1 1 -18 2  3  o 69.244   15.010  52.260     17.624  112.313    37.644  35.401     19.945  89.439  23.718  54.192  18.024  35.24683       29.78947 
1 1 1 -18 2  4  o 39.172   15.074  14.533     14.532  0.0000     0.0000  14.533     14.532  ?       ?       39.172  15.074  0.000000       15.07416 
1 1 1 -18 2  5  o 43.530   15.556  20.039     14.957  0.0000     0.0000  20.039     14.957  ?       ?       43.530  15.556  0.000000       15.55567 
1 1 1 -18 2  6  o 65.828   16.843  49.321     19.438  0.0000     0.0000  49.321     19.438  ?       ?       65.828  16.843  0.000000       16.84251 
1 1 1 -18 2  7  f 24.034   10.831  -2.7072    9.5925  0.0000     0.0000  -2.7072    9.5925  ?       ?       24.034  10.831  0.000000       10.83111 
1 1 1 -18 2  8  o 61.009   16.886  42.342     18.599  0.0000     0.0000  42.342     18.599  ?       ?       61.009  16.886  0.000000       16.88615 
1 1 1 -18 2  9  o 40.577   14.296  16.515     12.590  1.3976     23.982  22.267     14.793  37.871  17.091  45.664  15.524  -7.792511      23.08849 
1 1 1 -18 2  10 o 73.078   14.281  55.943     17.570  68.422     32.086  50.599     20.998  70.998  22.814  66.236  17.782  4.762497       28.92575 
1 1 1 -18 2  11 o 87.572   13.533  78.404     20.026  81.695     35.948  76.924     24.115  76.264  24.111  83.152  17.178  -6.887856      29.60412 
1 1 1 -18 2  12 o 85.050   13.607  74.016     19.526  93.662     34.627  64.857     23.644  84.560  22.892  75.122  18.214  9.438095       29.25360 
1 1 1 -18 2  13 f 90.403   13.129  82.594     20.118  71.101     35.063  88.234     24.564  71.302  23.901  90.523  16.132  -19.22099      28.83612 
1 1 1 -18 2  14 o 43.013   14.726  18.943     13.312  43.580     21.935  4.5796     16.749  60.780  18.776  34.916  15.068  25.86458       24.07408 
1 1 1 -18 2  15 o 37.434   13.868  12.809     12.039  26.444     21.454  6.5426     14.544  49.243  18.460  34.456  14.419  14.78679       23.42415 
1 1 1 -18 2  16 o 61.672   14.726  40.301     15.639  33.411     25.954  44.229     19.596  53.468  20.247  62.578  17.337  -9.110222      26.65582 
1 1 1 -18 2  17 f 29.205   12.342  3.1166     10.825  -4.2484    17.927  7.3428     13.580  31.971  14.566  34.309  14.105  -2.337337      20.27605 
1 1 1 -18 2  18 o 56.508   14.824  34.005     14.809  30.310     24.148  36.232     18.749  51.788  19.550  56.670  17.334  -4.881729      26.12764 
1 1 1 -18 2  19 f 39.628   14.544  14.868     13.187  5.4742     21.222  20.776     16.831  38.288  16.737  45.042  16.446  -6.754211      23.46444 
1 1 1 -18 2  20 o 23.441   10.741  -4.9272    9.9334  23.115     17.749  -17.7163   11.986  46.848  16.922  21.157  10.279  25.69098       19.79884 
1 1 1 -18 2  21 o 29.113   12.535  1.8489     11.540  -11.0018   20.758  7.5976     13.884  31.936  14.940  34.709  14.265  -2.772476      20.65635 
1 1 1 -18 2  22 o 39.723   15.810  13.162     16.445  12.879     24.014  13.411     22.566  42.893  18.266  42.541  17.890  0.3521156      25.56747 
1 1 1 -18 2  23 o 78.456   19.283  71.915     26.229  52.719     30.288  129.473    52.447  63.656  22.190  88.711  29.215  -25.05501      36.68661 
1 1 1 -18 3  1  o 37.431   15.239  12.337     15.656  29.700     32.140  6.9352     17.926  48.572  20.917  35.577  15.470  12.99529       26.01612 
1 1 1 -18 3  2  o 68.196   17.085  55.133     20.301  67.086     38.941  50.671     23.790  62.474  24.498  61.973  19.616  0.5010719      31.38358 
1 1 1 -18 3  3  o 36.251   14.885  10.480     15.098  36.633     31.758  2.8430     17.161  51.882  21.474  33.431  14.814  18.45127       26.08862 
1 1 1 -18 3  4  o 42.044   16.396  18.251     17.370  15.665     33.247  19.222     20.372  44.799  20.179  43.224  17.460  1.575134       26.68407 
1 1 1 -18 3  5  o 30.625   13.494  1.4988     14.045  1.8617     25.695  1.3441     16.771  38.049  17.374  32.648  14.546  5.400417       22.65985 
1 1 1 -18 3  6  o 42.011   14.175  18.686     12.333  4.3902     15.759  41.280     19.811  33.460  14.527  58.499  17.803  -25.03944      22.97787 
1 1 1 -18 3  7  o 29.532   12.922  1.4651     12.678  1.3209     20.431  1.5553     16.168  35.213  15.844  32.436  14.376  2.777142       21.39366 
1 1 1 -18 3  8  o 47.565   15.092  24.886     14.074  35.572     26.351  20.620     16.648  52.979  20.320  43.963  16.304  9.016052       26.05256 
1 1 1 -18 3  9  o 70.429   12.580  50.724     14.902  41.900     21.344  59.117     20.816  58.591  18.584  72.089  16.841  -13.49873      25.07998 
1 1 1 -18 3  10 o 43.700   14.444  20.265     12.816  31.110     23.946  15.911     15.172  50.992  19.415  40.451  15.441  10.54094       24.80688 
1 1 1 -18 3  11 o 28.528   11.959  3.6274     10.032  -16.7541   20.083  10.404     11.580  29.310  13.998  34.876  13.446  -5.566488      19.41017 
1 1 1 -18 3  12 o 58.140   14.991  36.832     15.316  58.905     27.862  27.275     18.334  66.952  21.233  49.088  17.256  17.86412       27.36045 
1 1 1 -18 3  13 o 48.034   14.989  25.028     13.939  13.228     24.675  30.559     16.893  42.544  18.324  51.989  16.538  -9.444767      24.68368 
1 1 1 -18 3  14 o 41.460   14.519  17.566     12.974  12.347     24.402  19.623     15.319  42.133  18.185  43.441  15.716  -1.307961      24.03491 
1 1 1 -18 3  15 o 61.704   14.576  40.737     15.454  43.549     25.794  39.163     19.303  58.567  20.474  58.050  17.552  0.5173149      26.96782 
1 1 1 -18 3  16 o 41.826   14.008  18.004     12.044  6.0384     19.578  25.290     15.277  37.148  16.160  48.106  15.764  -10.95797      22.57564 
1 1 1 -18 3  17 o 56.372   15.423  34.828     15.620  30.222     25.066  37.753     19.973  51.026  19.752  56.757  17.975  -5.730865      26.70654 
1 1 1 -18 3  18 o 50.188   18.522  28.730     21.432  30.424     24.007  22.085     47.561  51.170  19.450  51.123  23.454  0.4679871E-01  30.46947 
1 1 1 -18 3  19 o 80.106   21.847  82.759     31.401  102.569    37.990  40.040     55.788  85.887  24.262  55.940  25.566  29.94675       35.24633 
1 1 1 -18 3  20 o 46.625   18.389  22.633     22.060  24.802     25.696  16.553     43.019  48.341  19.581  49.032  22.425  -0.6908302     29.77031 
1 1 1 -18 4  1  o 58.376   17.116  42.703     18.577  7.0088     32.084  60.705     22.785  40.277  18.752  68.229  18.610  -27.95201      26.41934 
1 1 1 -18 4  2  o 45.431   17.827  25.284     20.636  0.0000     0.0000  25.284     20.636  ?       ?       45.431  17.827  0.000000       17.82749 
1 1 1 -18 4  3  o 100.227  13.636  107.964    23.243  53.720     36.865  143.756    29.945  55.980  23.151  112.593 15.656  -56.61302      27.94748 
1 1 1 -18 4  4  o 20.722   9.7745  -7.6922    9.2143  -1.9705    11.203  -19.6580   16.201  25.849  11.672  24.579  11.943  1.269983       16.69931 
1 1 1 -18 4  5  o 43.982   16.099  22.063     16.143  31.740     23.772  13.783     21.990  49.437  19.208  40.249  17.317  9.188435       25.86193 
1 1 1 -18 4  6  o 26.614   11.998  -1.8098    11.782  4.1839     16.913  -7.4604    16.422  33.642  14.817  28.543  13.331  5.098734       19.93161 
1 1 1 -18 4  7  f 43.471   15.758  21.062     15.411  6.0264     22.857  33.596     20.869  37.662  16.866  51.545  18.379  -13.88292      24.94500 
1 1 1 -18 4  8  o 63.229   16.397  46.673     18.256  41.458     28.336  50.373     23.870  54.337  21.010  61.704  19.662  -7.367046      28.77534 
1 1 1 -18 4  9  o 19.883   9.6724  -15.6120   10.706  -16.6072   14.048  -14.2332   16.535  23.459  11.333  26.592  12.701  -3.133461      17.02165 
1 1 1 -18 4  10 o 36.180   14.697  10.776     14.522  -0.5616    20.125  23.092     20.976  33.983  15.463  45.376  17.920  -11.39248      23.66916 
1 1 1 -18 4  11 o 30.559   13.232  3.0882     13.003  21.976     17.250  -21.7713   19.790  44.514  16.579  27.462  13.311  17.05241       21.26142 
1 1 1 -18 4  12 o 37.664   14.966  12.733     14.713  8.2553     20.678  17.325     20.939  37.961  16.559  42.390  17.482  -4.429691      24.07937 
1 1 1 -18 4  13 o 49.099   17.627  28.507     19.226  17.630     23.455  50.783     33.565  43.264  18.219  58.354  22.782  -15.08998      29.17115 
1 1 1 -18 4  14 o 33.887   14.723  4.7210     16.212  -12.1368   19.271  45.532     29.985  29.694  14.046  56.938  21.714  -27.24463      25.86133 
1 1 1 -18 4  15 o 40.226   16.369  14.654     18.052  7.1149     20.736  38.251     36.685  37.640  16.496  53.017  22.576  -15.37678      27.96116 
1 1 1 -17 0  1  o 103.844  16.295  104.721    27.374  104.721    27.374  104.721    27.374  103.844 16.295  103.844 16.295  -0.000000      0.000000 
1 1 1 -17 0  2  o 11.886   8.7168  -30.9912   11.844  -30.9912   11.844  -30.9912   11.844  11.886  8.7168  11.886  8.7168  0.000000       0.000000 
1 1 1 -17 0  3  o 29.730   19.040  3.4076     22.268  3.4076     22.268  3.4076     22.268  29.730  19.040  29.730  19.040  0.000000       0.000000 
1 1 1 -17 0  4  o 21.982   13.989  1.7519     11.789  1.7519     11.789  1.7519     11.789  21.982  13.989  21.982  13.989  -0.000000      0.000000 
1 1 1 -17 0  5  o 37.280   20.668  18.573     19.777  18.573     19.777  18.573     19.777  37.280  20.668  37.280  20.668  -0.000000      0.000000 
1 1 1 -17 0  6  o 26.026   16.325  4.2034     15.413  4.2034     15.413  4.2034     15.413  26.026  16.325  26.026  16.325  -0.000000      0.000000 
1 1 1 -17 0  7  o 23.316   15.024  0.9005     14.132  0.9005     14.132  0.9005     14.132  23.316  15.024  23.316  15.024  -0.000000      0.000000 
1 1 1 -17 0  8  o ?        ?       -18.8953   4.4269  -18.8953   4.4269  -18.8953   4.4269  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 -17 0  9  o 102.699  26.854  118.186    41.608  118.186    41.608  118.186    41.608  102.699 26.854  102.699 26.854  0.000000       0.000000 
1 1 1 -17 0  10 o 58.962   29.688  52.207     37.714  52.207     37.714  52.207     37.714  58.962  29.688  58.962  29.688  -0.000000      0.000000 
1 1 1 -17 0  11 o 51.429   27.964  39.242     35.443  39.242     35.443  39.242     35.443  51.429  27.964  51.429  27.964  -0.000000      0.000000 
1 1 1 -17 0  12 o 84.518   30.551  92.184     41.353  92.184     41.353  92.184     41.353  84.518  30.551  84.518  30.551  0.000000       0.000000 
1 1 1 -17 0  13 o 41.196   21.095  23.741     19.228  23.741     19.228  23.741     19.228  41.196  21.095  41.196  21.095  -0.000000      0.000000 
1 1 1 -17 0  14 o 117.563  16.441  133.343    31.859  133.343    31.859  133.343    31.859  117.563 16.441  117.563 16.441  -0.000000      0.000000 
1 1 1 -17 0  15 o 36.204   20.074  17.629     18.661  17.629     18.661  17.629     18.661  36.204  20.074  36.204  20.074  0.000000       0.000000 
1 1 1 -17 0  16 o 52.042   21.994  35.894     20.201  35.894     20.201  35.894     20.201  52.042  21.994  52.042  21.994  0.000000       0.000000 
1 1 1 -17 0  17 o 27.645   16.306  8.5672     13.456  8.5672     13.456  8.5672     13.456  27.645  16.306  27.645  16.306  0.000000       0.000000 
1 1 1 -17 0  18 o 38.063   22.993  16.822     27.998  16.822     27.998  16.822     27.998  38.063  22.993  38.063  22.993  -0.000000      0.000000 
1 1 1 -17 0  19 o 150.951  25.193  238.356    60.840  238.356    60.840  238.356    60.840  150.951 25.193  150.951 25.193  -0.000000      0.000000 
1 1 1 -17 0  20 o 157.882  24.964  259.759    63.672  259.759    63.672  259.759    63.672  157.882 24.964  157.882 24.964  -0.000000      0.000000 
1 1 1 -17 0  21 o 36.035   22.423  12.428     28.498  12.428     28.498  12.428     28.498  36.035  22.423  36.035  22.423  -0.000000      0.000000 
1 1 1 -17 0  22 o 39.536   24.795  15.584     35.538  15.584     35.538  15.584     35.538  39.536  24.795  39.536  24.795  0.000000       0.000000 
1 1 1 -17 0  23 o 37.110   23.097  13.858     30.253  13.858     30.253  13.858     30.253  37.110  23.097  37.110  23.097  0.000000       0.000000 
1 1 1 -17 0  24 o 34.030   22.106  4.7067     31.450  4.7067     31.450  4.7067     31.450  34.030  22.106  34.030  22.106  0.000000       0.000000 
1 1 1 -17 0  25 f 40.945   24.892  21.316     33.247  21.316     33.247  21.316     33.247  40.945  24.892  40.945  24.892  -0.000000      0.000000 
1 1 1 -17 0  26 o 158.868  20.622  254.350    54.543  254.350    54.543  254.350    54.543  158.868 20.622  158.868 20.622  0.000000       0.000000 
1 1 1 -17 0  27 o 27.742   19.494  -30.0483   36.444  -30.0483   36.444  -30.0483   36.444  27.742  19.494  27.742  19.494  -0.000000      0.000000 
1 1 1 -17 0  28 o 69.389   30.829  73.573     39.495  73.573     39.495  73.573     39.495  69.389  30.829  69.389  30.829  0.000000       0.000000 
1 1 1 -17 0  29 o 63.842   28.452  61.113     33.637  61.113     33.637  61.113     33.637  63.842  28.452  63.842  28.452  -0.000000      0.000000 
1 1 1 -17 0  30 o 67.241   28.252  65.736     33.364  65.736     33.364  65.736     33.364  67.241  28.252  67.241  28.252  0.000000       0.000000 
1 1 1 -17 0  31 o 115.911  16.728  133.853    31.806  133.853    31.806  133.853    31.806  115.911 16.728  115.911 16.728  0.000000       0.000000 
1 1 1 -17 0  32 o 30.076   17.691  11.392     15.764  11.392     15.764  11.392     15.764  30.076  17.691  30.076  17.691  -0.000000      0.000000 
1 1 1 -17 0  33 o 39.653   20.488  23.401     18.233  23.401     18.233  23.401     18.233  39.653  20.488  39.653  20.488  -0.000000      0.000000 
1 1 1 -17 0  34 o 41.679   20.317  25.530     17.413  25.530     17.413  25.530     17.413  41.679  20.317  41.679  20.317  0.000000       0.000000 
1 1 1 -17 0  35 o 53.928   21.763  39.742     20.001  39.742     20.001  39.742     20.001  53.928  21.763  53.928  21.763  0.000000       0.000000 
1 1 1 -17 0  36 o 23.266   15.024  1.9573     14.240  1.9573     14.240  1.9573     14.240  23.266  15.024  23.266  15.024  -0.000000      0.000000 
1 1 1 -17 1  1  o 22.026   9.9449  -3.3989    8.1322  -16.4446   13.483  4.0610     10.196  23.696  11.358  29.766  12.228  -6.070683      16.68925 
1 1 1 -17 1  2  o 76.585   13.571  57.734     17.483  70.799     29.285  50.498     21.794  79.241  20.875  68.719  17.962  10.52173       27.53881 
1 1 1 -17 1  3  o 58.238   14.269  34.110     14.397  47.000     23.893  26.763     18.039  65.489  19.467  51.306  17.144  14.18351       25.93966 
1 1 1 -17 1  4  o 76.823   13.621  57.927     17.602  52.830     31.424  60.257     21.249  67.599  22.627  76.588  16.385  -8.989197      27.93688 
1 1 1 -17 1  5  o 99.226   12.624  94.380     21.377  155.111    41.634  72.636     24.912  119.582 20.688  83.430  17.652  36.15252       27.19567 
1 1 1 -17 1  6  o 63.956   14.783  41.111     16.178  46.500     34.515  39.594     18.315  64.183  23.533  61.839  16.610  2.344234       28.80460 
1 1 1 -17 1  7  o 56.711   13.113  31.624     12.725  53.802     20.395  17.485     16.284  72.402  16.500  44.159  16.169  28.24275       23.10131 
1 1 1 -17 1  8  f 120.038  10.387  133.567    21.556  153.824    31.973  116.687    29.187  125.205 14.919  108.073 15.946  17.13231       21.83688 
1 1 1 -17 1  9  o 37.835   13.249  12.684     10.804  35.179     18.527  1.0913     13.300  58.340  17.089  31.229  13.452  27.11085       21.74861 
1 1 1 -17 1  10 o 26.836   11.272  1.8519     8.9406  3.9991     15.907  0.8604     10.809  35.301  14.943  28.399  12.178  6.902014       19.27650 
1 1 1 -17 1  11 o 29.232   11.882  4.0843     9.4997  7.3164     14.953  1.8970     12.301  36.505  14.881  30.708  13.075  5.797770       19.80870 
1 1 1 -17 1  12 o 28.975   11.627  4.4595     8.9699  22.338     12.812  -12.7294   12.562  47.681  14.274  23.987  11.345  23.69357       18.23300 
1 1 1 -17 1  13 o 88.030   12.791  74.173     19.086  58.606     23.612  103.510    32.416  74.795  18.243  99.140  19.421  -24.34511      26.64547 
1 1 1 -17 1  14 o 65.643   16.101  43.793     18.315  62.997     27.220  27.908     24.756  76.325  20.134  53.737  19.892  22.58800       28.30314 
1 1 1 -17 1  15 o 63.495   18.139  42.188     21.111  32.002     27.596  56.561     32.780  56.653  20.996  70.598  23.089  -13.94518      31.20786 
1 1 1 -17 1  16 f 30.015   13.461  -4.0751    14.615  -7.9685    17.611  4.5375     26.193  31.418  14.361  43.014  18.702  -11.59564      23.57978 
1 1 1 -17 1  17 o 115.079  16.224  131.746    31.696  96.769     43.068  173.074    46.816  89.492  26.010  126.091 22.068  -36.59907      34.11066 
1 1 1 -17 1  18 o 37.591   15.000  9.0257     14.837  -0.8435    17.537  33.885     27.833  34.361  15.112  57.786  21.141  -23.42495      25.98701 
1 1 1 -17 1  19 o 64.860   17.551  43.640     20.361  42.489     25.400  45.708     34.056  63.020  20.304  64.605  23.423  -1.585636      30.99831 
1 1 1 -17 1  20 o 97.264   15.220  93.186     25.001  92.542     31.736  94.240     40.591  93.143  20.103  89.327  25.025  3.815865       32.09951 
1 1 1 -17 1  21 o 75.259   29.566  72.355     56.821  72.355     56.821  0.0000     0.0000  75.259  29.566  ?       ?       0.000000       29.56604 
1 1 1 -17 1  22 o 84.041   21.576  77.997     31.824  77.997     31.824  0.0000     0.0000  84.041  21.576  ?       ?       0.000000       21.57630 
1 1 1 -17 1  23 o 66.699   22.151  49.243     30.128  49.243     30.128  0.0000     0.0000  66.699  22.151  ?       ?       0.000000       22.15111 
1 1 1 -17 1  24 o 85.095   23.565  83.322     36.211  83.322     36.211  0.0000     0.0000  85.095  23.565  ?       ?       0.000000       23.56460 
1 1 1 -17 1  25 o 131.230  18.378  176.737    40.956  176.737    40.956  0.0000     0.0000  131.230 18.378  ?       ?       0.000000       18.37821 
1 1 1 -17 1  26 o 165.975  17.514  278.334    49.989  278.334    49.989  0.0000     0.0000  165.975 17.514  ?       ?       0.000000       17.51369 
1 1 1 -17 1  27 f 123.422  19.624  159.974    40.875  159.974    40.875  0.0000     0.0000  123.422 19.624  ?       ?       0.000000       19.62414 
1 1 1 -17 1  28 o 53.929   20.374  27.909     26.241  47.738     30.441  -29.4317   51.766  65.538  22.269  47.609  22.665  17.92829       31.77439 
1 1 1 -17 1  29 o 151.359  13.475  219.538    35.241  235.797    48.006  200.536    51.897  151.163 18.579  134.178 22.978  16.98543       29.54950 
1 1 1 -17 1  30 o 144.830  18.545  216.815    45.821  216.815    45.821  0.0000     0.0000  144.830 18.545  ?       ?       0.000000       18.54546 
1 1 1 -17 1  31 o 79.020   24.716  75.138     37.878  75.138     37.878  0.0000     0.0000  79.020  24.716  ?       ?       0.000000       24.71649 
1 1 1 -17 1  32 o 26.263   11.819  -3.9400    11.376  12.601     23.310  -9.1118    13.034  44.574  18.419  25.915  12.027  18.65833       21.99847 
1 1 1 -17 1  33 f 51.778   17.618  27.033     19.053  -8.2572    30.714  49.110     24.293  41.120  18.858  67.160  19.539  -26.04021      27.15535 
1 1 1 -17 1  34 o 78.144   24.765  74.613     37.907  74.613     37.907  0.0000     0.0000  78.144  24.765  ?       ?       0.000000       24.76467 
1 1 1 -17 1  35 o 41.384   18.403  0.7737     26.708  0.7737     26.708  0.0000     0.0000  41.384  18.403  ?       ?       0.000000       18.40291 
1 1 1 -17 2  1  o 31.375   13.185  3.5722     12.243  0.0000     0.0000  3.5722     12.243  ?       ?       31.375  13.185  0.000000       13.18530 
1 1 1 -17 2  2  o 27.527   11.569  2.2384     9.4277  -16.3428   16.200  11.754     11.593  26.732  12.713  37.078  13.632  -10.34595      18.63994 
1 1 1 -17 2  3  o 17.369   8.2294  -7.3919    6.6664  8.1409     14.161  -11.8140   7.5560  36.068  14.562  16.983  8.2301  19.08493       16.72646 
1 1 1 -17 2  4  o 104.350  10.955  102.533    19.662  113.753    29.408  93.463     26.440  105.432 16.517  95.473  16.454  9.958755       23.31453 
1 1 1 -17 2  5  o 72.363   12.552  50.848     15.284  50.657     23.285  50.993     20.260  68.212  18.899  69.839  16.815  -1.626915      25.29655 
1 1 1 -17 2  6  o 98.042   10.818  90.257     18.210  99.616     27.769  83.195     24.121  98.607  16.726  90.669  15.811  7.937752       23.01660 
1 1 1 -17 2  7  o 83.348   11.370  65.875     16.116  76.921     24.103  56.945     21.672  86.650  16.534  73.846  17.138  12.80362       23.81403 
1 1 1 -17 2  8  o 43.728   13.312  18.639     11.075  24.283     15.840  13.241     15.491  49.275  16.047  40.612  15.579  8.663303       22.36579 
1 1 1 -17 2  9  o 55.693   12.457  30.300     11.810  45.917     17.234  16.474     16.217  67.498  15.011  43.305  16.086  24.19381       22.00176 
1 1 1 -17 2  10 o 97.254   12.523  90.500     20.772  98.696     37.078  86.750     25.077  92.593  23.029  92.703  16.075  -0.1098862     28.08504 
1 1 1 -17 2  11 o 163.157  10.416  246.455    29.520  252.828    41.908  240.180    41.588  160.327 15.150  155.857 15.487  4.470474       21.66475 
1 1 1 -17 2  12 o 69.776   14.093  48.144     16.579  43.584     30.144  50.122     19.850  62.840  22.123  69.794  16.541  -6.953503      27.62316 
1 1 1 -17 2  13 f 102.445  12.291  99.812     21.548  93.071     37.448  103.148    26.346  89.434  23.627  102.020 15.259  -12.58572      28.12590 
1 1 1 -17 2  14 o 65.413   13.445  41.977     14.843  44.061     22.565  40.387     19.707  64.234  18.873  62.187  17.442  2.047112       25.69865 
1 1 1 -17 2  15 o 25.689   11.130  -0.2265    9.2119  18.848     14.787  -12.3238   11.776  44.762  15.510  23.099  10.942  21.66335       18.98141 
1 1 1 -17 2  16 o 93.517   11.399  82.326     18.229  101.808    27.830  67.689     24.123  100.525 16.423  80.789  17.599  19.73644       24.07145 
1 1 1 -17 2  17 o 74.859   16.780  57.520     21.391  64.479     26.798  45.300     35.512  77.221  19.786  63.965  23.795  13.25658       30.94635 
1 1 1 -17 2  18 o 66.269   17.428  45.781     20.435  45.233     25.504  46.765     34.155  64.515  20.298  64.705  23.458  -0.1904297     31.02037 
1 1 1 -17 2  19 o 91.349   17.481  85.760     26.867  84.519     31.695  88.929     50.641  87.769  20.969  82.038  28.687  5.731209       35.53386 
1 1 1 -17 2  20 o 42.754   16.703  14.101     18.052  15.305     20.039  8.9221     41.574  44.498  17.534  51.713  22.980  -7.215466      28.90498 
1 1 1 -17 2  21 o 33.036   14.548  -1.0525    16.299  -9.0084    17.824  39.566     40.274  31.152  14.316  61.845  24.701  -30.69285      28.54998 
1 1 1 -17 2  22 o 134.498  13.901  174.641    32.174  148.496    37.737  244.224    61.564  119.576 18.686  145.133 25.208  -25.55728      31.37887 
1 1 1 -17 2  23 o 42.069   16.819  12.428     18.694  6.6166     20.804  36.795     42.598  40.291  17.073  61.097  25.035  -20.80624      30.30239 
1 1 1 -17 2  24 o 92.309   17.422  87.542     27.052  97.862     30.528  49.816     58.368  96.582  18.779  67.244  28.552  29.33864       34.17395 
1 1 1 -17 2  25 o 108.543  17.896  121.316    32.735  138.531    37.180  61.956     69.040  114.823 19.224  71.065  30.630  43.75806       36.16284 
1 1 1 -17 2  26 o 116.894  16.633  137.778    32.992  128.786    37.419  169.174    69.921  109.523 20.315  106.332 33.627  3.191566       39.28703 
1 1 1 -17 2  27 o 120.886  15.449  144.780    31.864  137.377    35.899  172.269    69.175  114.899 18.524  107.856 33.347  7.042511       38.14640 
1 1 1 -17 2  28 o 220.483  10.615  449.497    40.865  485.082    57.262  412.562    58.337  222.937 14.794  202.788 16.622  20.14859       22.25196 
1 1 1 -17 2  29 o 64.048   16.866  42.656     19.122  42.656     19.122  0.0000     0.0000  64.048  16.866  ?       ?       0.000000       16.86580 
1 1 1 -17 2  30 o 61.659   17.037  39.702     18.952  39.702     18.952  0.0000     0.0000  61.659  17.037  ?       ?       0.000000       17.03703 
1 1 1 -17 2  31 f 52.834   17.259  28.590     18.317  28.590     18.317  0.0000     0.0000  52.834  17.259  ?       ?       0.000000       17.25886 
1 1 1 -17 2  32 o 65.443   18.052  45.688     21.299  45.688     21.299  0.0000     0.0000  65.443  18.052  ?       ?       0.000000       18.05246 
1 1 1 -17 2  33 o 44.222   14.505  18.996     12.933  7.9726     17.752  31.461     18.878  38.640  16.030  54.912  17.485  -16.27139      23.72033 
1 1 1 -17 2  34 o 29.186   12.159  3.1160     10.278  -4.3486    14.579  10.490     14.491  29.604  13.346  37.972  14.927  -8.368015      20.02302 
1 1 1 -17 3  1  o 62.724   15.460  41.216     16.823  10.438     27.721  59.162     21.167  44.536  19.301  74.555  16.678  -30.01918      25.50856 
1 1 1 -17 3  2  o 76.294   14.743  59.360     18.929  61.664     30.779  57.959     24.005  71.160  22.284  72.077  18.857  -0.9167099     29.19171 
1 1 1 -17 3  3  o 33.221   13.670  5.8074     12.768  -8.8546    20.677  14.844     16.233  33.206  15.318  41.562  15.947  -8.355453      22.11234 
1 1 1 -17 3  4  o 72.532   15.199  53.992     18.632  44.159     30.022  60.153     23.763  61.489  22.031  74.121  18.437  -12.63229      28.72817 
1 1 1 -17 3  5  o 58.222   15.940  35.498     16.678  38.340     26.482  33.629     21.472  58.544  20.722  55.778  18.704  2.765823       27.91492 
1 1 1 -17 3  6  o 57.121   15.596  33.887     15.992  5.0827     25.558  52.420     20.501  41.867  18.332  70.411  16.892  -28.54388      24.92799 
1 1 1 -17 3  7  o 85.698   13.529  72.321     19.573  60.313     33.985  78.281     23.942  70.257  23.531  87.068  16.349  -16.81187      28.65332 
1 1 1 -17 3  8  o 111.974  15.788  126.996    30.012  113.073    43.352  139.809    41.590  94.768  25.596  110.414 22.339  -15.64636      33.97396 
1 1 1 -17 3  9  o 83.621   12.951  68.127     18.298  90.868     32.038  57.119     22.291  90.013  20.802  73.266  17.637  16.74699       27.27209 
1 1 1 -17 3  10 o 31.944   12.608  6.6092     10.378  -8.5776    20.940  11.554     11.949  33.807  15.529  37.187  13.809  -3.380005      20.78076 
1 1 1 -17 3  11 o 59.843   14.121  35.999     14.517  41.982     24.121  32.602     18.177  61.743  19.775  55.784  17.069  5.959480       26.12240 
1 1 1 -17 3  12 o 61.779   17.452  40.473     19.656  31.640     24.654  55.885     32.565  55.082  19.936  68.750  23.034  -13.66761      30.46342 
1 1 1 -17 3  13 o 32.304   13.974  1.2695     14.476  3.6630     17.468  -3.9779    25.864  36.127  15.486  39.121  17.693  -2.994411      23.51302 
1 1 1 -17 3  14 o 84.295   16.401  72.871     23.271  70.969     29.048  76.280     38.882  79.636  20.699  78.270  25.111  1.365959       32.54231 
1 1 1 -17 3  15 f 71.282   16.986  53.084     20.841  72.952     25.947  16.962     34.987  82.788  18.424  51.120  21.915  31.66798       28.63050 
1 1 1 -17 3  16 o 56.771   16.784  33.544     17.798  21.317     21.362  61.292     32.180  48.275  18.348  72.275  22.808  -24.00037      29.27214 
1 1 1 -17 3  17 o 25.100   11.583  -7.4646    11.839  -9.0959    12.491  6.9480     37.128  25.211  11.725  48.726  21.681  -23.51425      24.64852 
1 1 1 -17 3  18 o 40.390   13.937  15.070     11.933  25.829     17.875  6.4195     16.027  50.634  17.065  36.566  15.205  14.06860       22.85628 
1 1 1 -17 3  19 o 23.055   10.359  -3.1517    8.6971  28.884     14.919  -19.6438   10.704  53.315  15.254  19.198  9.4102  34.11751       17.92330 
1 1 1 -17 3  20 f 49.423   14.031  24.374     12.673  39.312     19.047  12.508     16.975  61.212  17.140  40.917  16.133  20.29557       23.53834 
1 1 1 -17 3  21 o 27.131   11.594  1.0127     9.7377  8.0824     16.708  -2.6237    11.983  38.037  15.643  27.635  12.305  10.40236       19.90306 
1 1 1 -17 3  22 o 56.503   15.139  32.483     15.237  74.463     21.383  -10.8228   21.718  86.580  14.668  33.837  15.640  52.74329       21.44235 
1 1 1 -17 3  23 f 116.487  15.162  134.779    30.108  128.542    34.065  157.041    64.365  110.909 18.224  103.035 32.218  7.874283       37.01477 
1 1 1 -17 3  24 o 81.513   24.041  80.013     36.556  97.397     43.736  39.716     66.589  87.427  26.417  64.385  28.814  23.04174       39.09094 
1 1 1 -17 3  25 o 145.739  16.654  215.456    41.618  215.456    41.618  0.0000     0.0000  145.739 16.654  ?       ?       0.000000       16.65355 
1 1 1 -17 3  26 o 71.260   20.034  56.331     25.966  56.331     25.966  0.0000     0.0000  71.260  20.034  ?       ?       0.000000       20.03360 
1 1 1 -17 3  27 o 58.891   16.842  36.324     18.190  56.806     25.278  14.324     26.197  71.826  19.606  46.454  19.388  25.37233       27.57379 
1 1 1 -17 3  28 o 36.097   14.233  9.0583     13.214  11.686     15.655  2.5492     24.641  39.508  15.520  40.638  17.892  -1.129414      23.68514 
1 1 1 -17 3  29 o 34.953   14.040  7.6071     13.093  7.2809     15.522  8.4115     24.377  36.584  15.065  42.840  18.327  -6.256111      23.72398 
1 1 1 -17 3  30 o 65.828   16.151  45.020     18.425  47.224     22.342  40.333     32.577  65.892  18.604  60.173  22.709  5.719231       29.35596 
1 1 1 -17 3  31 o 36.918   14.277  10.394     13.086  14.897     15.047  -3.5808    26.507  41.359  15.469  39.497  17.883  1.862045       23.64474 
1 1 1 -17 3  32 o 44.165   16.212  18.058     16.386  18.058     16.386  0.0000     0.0000  44.165  16.212  ?       ?       0.000000       16.21168 
1 1 1 -17 3  33 o 43.503   14.511  18.452     12.923  23.935     17.526  11.919     19.132  48.743  16.886  41.415  16.852  7.327599       23.85581 
1 1 1 -17 4  1  o 31.258   12.700  5.8126     10.845  6.3837     12.378  3.9255     22.501  32.935  13.495  38.650  17.053  -5.714500      21.74669 
1 1 1 -17 4  2  o 15.083   7.3796  -11.7573   6.4937  -17.1896   6.8624  34.767     20.083  13.963  6.9641  55.686  18.066  -41.72346      19.36154 
1 1 1 -17 4  3  o 28.425   12.445  -0.0223    11.774  -4.0900    14.260  8.6906     20.870  28.954  13.112  39.983  17.027  -11.02894      21.49102 
1 1 1 -17 4  4  o 24.525   10.974  -2.5016    9.6572  -0.5999    10.764  -10.3475   21.864  26.997  11.857  33.369  15.517  -6.372236      19.52882 
1 1 1 -17 4  5  o 32.866   14.081  3.2160     14.429  22.399     19.278  -21.2193   21.757  47.286  17.543  30.264  14.486  17.02206       22.75099 
1 1 1 -17 4  6  o 46.055   15.904  21.452     15.542  5.8101     23.434  33.735     20.766  40.403  17.626  55.299  18.391  -14.89608      25.47396 
1 1 1 -17 4  7  o 46.664   15.646  22.179     15.025  10.729     21.776  32.583     20.758  41.760  17.569  54.576  18.390  -12.81588      25.43338 
1 1 1 -17 4  8  o 34.663   14.276  6.6971     13.941  11.515     17.373  -2.0147    23.362  39.880  16.119  37.480  16.895  2.400085       23.35105 
1 1 1 -17 4  9  o 43.999   16.432  18.053     16.968  14.680     20.945  24.492     28.941  43.498  17.657  51.046  20.743  -7.547649      27.24080 
1 1 1 -17 4  10 o 36.414   14.947  7.8884     15.217  -4.7909    18.214  37.199     27.692  32.591  14.783  57.475  21.079  -24.88418      25.74598 
1 1 1 -17 4  11 f 65.557   17.407  46.452     20.260  43.360     25.015  52.348     34.540  61.644  20.170  65.089  23.591  -3.444870      31.03821 
1 1 1 -17 4  12 o 33.985   14.363  4.4483     14.659  -10.4365   17.291  42.494     27.644  29.692  13.804  60.733  21.197  -31.04134      25.29613 
1 1 1 -17 4  13 o 38.465   15.490  10.234     15.980  -15.8335   20.435  51.271     25.639  30.857  14.556  66.939  20.227  -36.08120      24.91972 
1 1 1 -17 4  14 o 29.942   13.076  0.0813     12.927  9.3598     18.212  -9.3398    18.351  39.352  16.273  31.107  14.378  8.244743       21.71482 
1 1 1 -17 4  15 o 23.649   10.970  -7.5181    10.825  -14.2489   16.253  -2.1522    14.512  27.404  12.943  30.405  13.540  -3.001072      18.73142 
1 1 1 -17 4  16 o 68.905   16.660  50.119     19.823  20.699     28.321  78.377     27.756  49.593  20.377  84.379  19.263  -34.78571      28.04130 
1 1 1 -17 4  17 o 51.552   17.035  27.644     17.827  17.777     24.572  38.607     25.901  46.929  19.097  58.809  20.519  -11.88000      28.03048 
1 1 1 -17 4  18 o 61.282   19.331  41.697     23.118  37.447     26.243  56.426     48.852  58.110  20.622  66.239  26.937  -8.129234      33.92455 
1 1 1 -17 4  19 o 74.682   27.930  78.506     49.056  0.0000     0.0000  78.506     49.056  ?       ?       74.682  27.930  0.000000       27.93045 
1 1 1 -17 4  20 o 39.348   15.875  10.685     16.820  3.7847     18.059  55.862     46.208  36.410  15.679  66.174  26.449  -29.76420      30.74673 
1 1 1 -17 4  21 o 102.511  14.689  105.118    25.541  79.254     37.015  128.625    35.288  79.482  24.363  108.922 19.259  -29.43973      31.05608 
1 1 1 -17 4  22 o 30.112   14.217  -15.9724   19.576  0.0000     0.0000  -15.9724   19.576  ?       ?       30.112  14.217  0.000000       14.21697 
1 1 1 -17 4  23 o 71.799   21.754  60.744     29.627  0.0000     0.0000  60.744     29.627  ?       ?       71.799  21.754  0.000000       21.75364 
1 1 1 -17 4  24 o 64.337   21.933  48.620     29.529  0.0000     0.0000  48.620     29.529  ?       ?       64.337  21.933  0.000000       21.93255 
1 1 1 -17 4  25 o 33.397   14.462  1.9112     15.538  -9.8092    22.345  12.885     21.621  34.331  15.867  43.133  17.773  -8.802132      23.82566 
1 1 1 -17 4  26 o 38.880   15.842  9.9069     16.938  -8.1791    24.783  25.761     23.203  36.630  16.851  50.759  19.163  -14.12927      25.51805 
1 1 1 -17 4  27 o 44.849   15.443  19.766     14.648  13.225     17.739  33.786     25.971  41.309  16.427  55.729  20.417  -14.41998      26.20465 
1 1 1 -17 4  28 o 34.417   13.803  7.6596     12.633  3.9005     17.148  12.121     18.681  35.663  15.317  41.107  16.680  -5.443893      22.64557 
1 1 1 -17 4  29 o 18.520   8.8152  -9.0745    7.8235  8.3763     11.115  -26.2112   11.014  33.795  13.133  17.856  8.8927  15.93884       15.86054 
1 1 1 -17 4  30 o 39.374   14.759  13.479     13.714  -4.7868    19.066  33.059     19.740  33.307  15.115  55.254  17.909  -21.94685      23.43505 
1 1 1 -17 5  1  o 42.876   16.430  18.197     17.219  22.379     23.162  13.030     25.745  46.636  18.695  43.055  18.630  3.580906       26.39291 
1 1 1 -17 5  2  o 41.438   16.672  15.080     18.494  -5.8269    28.677  29.968     24.199  38.271  17.788  51.071  19.500  -12.80079      26.39444 
1 1 1 -17 5  3  o 33.677   13.744  7.4169     12.774  6.0234     15.696  10.150     21.981  34.875  14.807  40.517  17.370  -5.642250      22.82452 
1 1 1 -17 5  4  o 74.126   16.300  59.917     20.522  52.610     28.228  68.109     29.890  64.087  21.446  72.867  21.799  -8.780243      30.57954 
1 1 1 -17 5  5  o 72.238   13.368  53.200     16.240  8.6794     20.607  126.187    26.384  39.346  16.842  111.323 13.875  -71.97675      21.82093 
1 1 1 -17 5  6  o 41.874   15.872  16.589     15.958  18.484     17.741  8.5603     36.527  43.694  16.693  46.134  20.930  -2.439751      26.77186 
1 1 1 -17 5  7  o 53.300   17.659  31.777     19.151  35.920     21.917  18.401     39.380  55.754  18.896  49.902  22.257  5.852432       29.19681 
1 1 1 -17 5  8  o 30.377   13.433  -0.3938    14.041  2.4973     15.941  -10.4015   29.658  33.469  14.571  38.170  17.856  -4.701153      23.04682 
1 1 1 -17 5  9  o 53.527   18.358  32.149     20.691  22.427     25.476  50.986     35.463  48.186  19.504  62.180  23.638  -13.99476      30.64606 
1 1 1 -17 5  10 o 67.498   17.811  51.053     21.297  25.593     27.649  88.200     33.397  50.267  20.328  84.136  22.353  -33.86874      30.21441 
1 1 1 -17 5  11 o 108.467  13.043  116.779    24.207  68.826     38.558  147.972    31.099  70.321  24.992  119.748 15.217  -49.42656      29.26050 
1 1 1 -17 5  12 o 64.419   14.606  43.157     16.051  32.969     22.084  54.564     23.368  54.188  18.945  69.060  18.851  -14.87183      26.72591 
1 1 1 -17 5  13 f ?        ?       -20.4144   5.0172  -20.2336   5.0704  -28.8807   34.698  ?       ?       37.219  17.938  0.000000       17.93760 
1 1 1 -17 5  14 f 34.214   14.495  4.9481     14.989  6.6683     16.187  -5.3931    39.689  36.065  15.159  44.582  20.790  -8.517204      25.72925 
1 1 1 -17 5  15 o 41.904   16.045  15.809     16.411  11.338     17.889  39.560     41.232  39.784  16.254  57.992  24.274  -18.20818      29.21309 
1 1 1 -17 5  16 o 80.385   13.892  65.326     18.794  68.572     25.419  61.411     27.912  77.986  18.871  71.499  20.985  6.487076       28.22220 
1 1 1 -17 5  17 o 75.035   18.712  63.365     24.432  43.668     43.112  72.683     29.653  59.649  24.882  77.856  21.228  -18.20729      32.70702 
1 1 1 -17 5  18 o 112.171  15.939  130.920    30.340  100.531    50.110  148.508    38.122  80.645  28.509  114.997 19.694  -34.35250      34.65002 
1 1 1 -17 5  19 o 55.750   18.700  34.773     21.463  30.403     32.032  38.333     28.913  53.661  21.816  57.317  21.441  -3.655376      30.58885 
1 1 1 -17 5  20 f 41.763   15.059  16.650     14.048  27.437     16.608  -10.4783   26.337  50.805  16.423  36.527  17.001  14.27793       23.63773 
1 1 1 -17 5  21 o 53.337   18.336  31.220     20.646  45.915     31.357  19.974     27.431  61.129  22.428  48.063  19.931  13.06614       30.00436 
1 1 1 -17 5  22 o 36.285   15.561  5.0484     17.653  -30.7615   26.691  32.891     23.535  31.870  15.450  54.302  19.501  -22.43155      24.87994 
1 1 1 -17 5  23 o 40.191   16.832  10.098     19.842  19.273     30.306  3.2140     26.251  48.584  20.598  40.800  18.187  7.783344       27.47818 
1 1 1 -17 5  24 o 51.723   18.291  28.981     20.630  14.631     31.163  40.175     27.524  47.061  20.430  58.331  21.072  -11.26904      29.34982 
1 1 1 -17 5  25 o 47.311   18.044  22.223     20.705  13.929     30.105  29.669     28.523  46.381  20.108  52.701  20.870  -6.320007      28.98044 
1 1 1 -17 5  26 o 39.252   15.001  13.366     14.329  12.246     16.935  16.188     26.883  39.779  15.972  46.059  19.457  -6.279713      25.17254 
1 1 1 -17 6  1  o 29.674   13.669  -4.8209    16.383  1.7275     22.966  -11.6066   23.378  36.434  16.555  32.602  15.436  3.831474       22.63504 
1 1 1 -17 6  2  o 48.127   17.538  27.199     19.127  2.7068     26.006  56.060     28.230  38.381  17.508  63.301  21.445  -24.92011      27.68443 
1 1 1 -17 6  3  o 49.751   17.525  29.257     18.918  29.151     26.284  29.371     27.250  49.224  19.850  49.349  20.099  -0.1250076     28.24912 
1 1 1 -17 6  4  o 50.477   20.089  31.286     26.552  31.286     26.552  0.0000     0.0000  50.477  20.089  ?       ?       0.000000       20.08946 
1 1 1 -17 6  5  o 53.872   20.506  37.437     26.708  37.437     26.708  0.0000     0.0000  53.872  20.506  ?       ?       0.000000       20.50607 
1 1 1 -17 6  6  o 67.011   20.643  58.505     26.535  58.505     26.535  0.0000     0.0000  67.011  20.643  ?       ?       0.000000       20.64279 
1 1 1 -17 6  7  o 84.294   19.424  85.827     28.001  85.827     28.001  0.0000     0.0000  84.294  19.424  ?       ?       0.000000       19.42384 
1 1 1 -17 6  8  o 85.558   18.136  84.788     26.252  84.788     26.252  0.0000     0.0000  85.558  18.136  ?       ?       0.000000       18.13590 
1 1 1 -17 6  9  o 36.114   14.073  11.133     12.788  10.273     13.799  16.367     34.053  36.028  14.434  46.475  20.716  -10.44744      25.24830 
1 1 1 -17 6  10 o 81.763   14.235  70.060     19.584  56.235     22.190  118.782    41.657  69.256  18.135  90.558  25.345  -21.30228      31.16505 
1 1 1 -17 6  11 o 60.266   16.055  40.435     17.197  25.204     21.821  65.405     27.939  47.931  18.464  71.480  21.000  -23.54897      27.96271 
1 1 1 -17 6  12 o 94.474   17.403  99.906     27.650  98.940     48.627  100.368    33.613  75.549  27.896  88.774  21.836  -13.22463      35.42588 
1 1 1 -17 6  13 o 49.104   18.298  26.971     21.017  12.469     39.265  32.794     24.881  47.124  21.503  52.523  19.840  -5.398293      29.25736 
1 1 1 -17 6  14 f 63.506   19.122  48.652     22.944  66.682     42.026  40.996     27.385  65.453  25.509  56.934  20.949  8.518841       33.00853 
1 1 1 -17 6  15 f 94.097   12.861  89.300     20.577  74.160     27.092  109.938    31.632  78.470  19.780  96.948  19.364  -18.47858      27.68039 
1 1 1 -17 6  16 o 75.997   14.183  60.218     18.128  27.028     22.990  114.781    29.477  49.361  18.969  101.940 17.171  -52.57916      25.58630 
1 1 1 -17 6  17 o 74.274   14.708  58.233     18.400  35.595     23.198  96.629     30.212  54.601  19.387  90.355  19.705  -35.75393      27.64329 
1 1 1 -17 6  18 o 61.898   18.942  45.800     22.386  26.718     34.195  60.111     29.614  50.683  21.695  67.610  21.938  -16.92717      30.85349 
1 1 1 -17 6  19 o 56.069   19.043  37.460     22.259  -8.0840    35.547  66.838     28.549  41.041  19.310  72.570  21.201  -31.52911      28.67715 
1 1 1 -17 6  20 o 36.182   15.581  5.9020     17.831  -38.9938   27.441  38.710     23.458  30.289  14.891  56.592  19.539  -26.30361      24.56663 
1 1 1 -17 6  21 o 38.281   17.278  1.3587     24.518  -6.8755    26.397  53.109     66.175  36.754  17.077  59.190  27.339  -22.43664      32.23463 
1 1 1 -17 7  1  o 34.043   14.901  6.6346     16.875  10.151     24.943  3.6671     22.915  38.691  17.448  35.727  16.350  2.964432       23.91131 
1 1 1 -17 7  2  o 57.116   20.288  48.339     25.405  39.941     30.963  65.641     44.440  50.726  21.117  56.237  24.406  -5.511917      32.27312 
1 1 1 -17 7  3  o 53.800   19.523  40.947     23.665  59.023     29.768  9.9069     39.008  60.840  21.924  42.487  20.063  18.35291       29.71793 
1 1 1 -17 7  4  o 84.280   19.629  93.155     28.348  91.643     34.456  96.322     49.868  75.549  23.564  64.609  26.839  10.94061       35.71596 
1 1 1 -17 7  5  f 46.776   18.090  27.462     21.009  34.742     25.323  11.384     37.631  50.188  19.731  42.985  20.110  7.203560       28.17330 
1 1 1 -17 7  6  o 35.249   16.032  2.2854     21.606  11.534     27.669  -12.1656   34.586  40.806  18.392  37.307  17.962  3.498859       25.70749 
1 1 1 -17 7  7  o 49.566   18.348  31.490     21.064  56.013     33.635  15.668     27.017  58.485  22.813  42.210  18.652  16.27493       29.46760 
1 1 1 -17 7  8  o 24.277   11.828  -20.9036   16.182  -22.4505   23.609  -19.5329   22.223  29.787  14.461  29.492  14.249  0.2953815      20.30144 
1 1 1 -17 7  9  o 26.552   12.063  -2.7212    12.191  8.4991     17.217  -14.0022   17.263  35.870  15.375  27.140  12.967  8.730347       20.11287 
1 1 1 -16 0  1  o 46.348   22.924  29.063     22.303  29.063     22.303  29.063     22.303  46.348  22.924  46.348  22.924  0.000000       0.000000 
1 1 1 -16 0  2  o 36.502   20.270  16.902     19.058  16.902     19.058  16.902     19.058  36.502  20.270  36.502  20.270  -0.000000      0.000000 
1 1 1 -16 0  3  o 50.072   23.633  33.684     23.345  33.684     23.345  33.684     23.345  50.072  23.633  50.072  23.633  -0.000000      0.000000 
1 1 1 -16 0  4  o 54.893   20.773  36.617     18.674  36.617     18.674  36.617     18.674  54.893  20.773  54.893  20.773  0.000000       0.000000 
1 1 1 -16 0  5  o 59.601   20.823  41.729     19.610  41.729     19.610  41.729     19.610  59.601  20.823  59.601  20.823  0.000000       0.000000 
1 1 1 -16 0  6  o 109.596  14.820  112.645    26.900  112.645    26.900  112.645    26.900  109.596 14.820  109.596 14.820  -0.000000      0.000000 
1 1 1 -16 0  7  o 75.319   18.985  59.435     21.593  59.435     21.593  59.435     21.593  75.319  18.985  75.319  18.985  0.000000       0.000000 
1 1 1 -16 0  8  o 29.715   17.583  9.2316     15.737  9.2316     15.737  9.2316     15.737  29.715  17.583  29.715  17.583  -0.000000      0.000000 
1 1 1 -16 0  9  o 161.945  15.030  240.188    41.659  240.188    41.659  240.188    41.659  161.945 15.030  161.945 15.030  0.000000       0.000000 
1 1 1 -16 0  10 o 53.952   21.581  36.398     19.719  36.398     19.719  36.398     19.719  53.952  21.581  53.952  21.581  -0.000000      0.000000 
1 1 1 -16 0  11 o 66.488   20.651  49.674     21.001  49.674     21.001  49.674     21.001  66.488  20.651  66.488  20.651  0.000000       0.000000 
1 1 1 -16 0  12 o 34.943   19.158  15.710     16.781  15.710     16.781  15.710     16.781  34.943  19.158  34.943  19.158  -0.000000      0.000000 
1 1 1 -16 0  13 o 29.352   17.510  8.7004     15.833  8.7004     15.833  8.7004     15.833  29.352  17.510  29.352  17.510  -0.000000      0.000000 
1 1 1 -16 0  14 o 31.355   17.992  11.624     15.668  11.624     15.668  11.624     15.668  31.355  17.992  31.355  17.992  -0.000000      0.000000 
1 1 1 -16 0  15 o 63.335   19.584  44.976     18.958  44.976     18.958  44.976     18.958  63.335  19.584  63.335  19.584  0.000000       0.000000 
1 1 1 -16 0  16 o 73.457   19.554  57.705     21.671  57.705     21.671  57.705     21.671  73.457  19.554  73.457  19.554  0.000000       0.000000 
1 1 1 -16 0  17 o 29.354   17.080  9.7463     14.427  9.7463     14.427  9.7463     14.427  29.354  17.080  29.354  17.080  -0.000000      0.000000 
1 1 1 -16 0  18 o 101.437  28.622  115.991    43.896  115.991    43.896  115.991    43.896  101.437 28.622  101.437 28.622  0.000000       0.000000 
1 1 1 -16 0  19 o 213.293  23.905  440.589    86.158  440.589    86.158  440.589    86.158  213.293 23.905  213.293 23.905  -0.000000      0.000000 
1 1 1 -16 0  20 o 38.634   22.163  18.655     23.766  18.655     23.766  18.655     23.766  38.634  22.163  38.634  22.163  -0.000000      0.000000 
1 1 1 -16 0  21 o 164.021  17.780  253.111    49.405  253.111    49.405  253.111    49.405  164.021 17.780  164.021 17.780  0.000000       0.000000 
1 1 1 -16 0  22 o 139.587  20.043  189.334    45.928  189.334    45.928  189.334    45.928  139.587 20.043  139.587 20.043  -0.000000      0.000000 
1 1 1 -16 0  23 o 348.554  19.731  1133.79    119.203 1133.79    119.203 1133.79    119.203 348.554 19.731  348.554 19.731  0.000000       0.000000 
1 1 1 -16 0  24 f 55.284   27.451  43.958     32.032  43.958     32.032  43.958     32.032  55.284  27.451  55.284  27.451  -0.000000      0.000000 
1 1 1 -16 0  25 o 126.422  20.702  158.743    42.018  158.743    42.018  158.743    42.018  126.422 20.702  126.422 20.702  -0.000000      0.000000 
1 1 1 -16 0  26 o 43.034   27.731  11.039     48.160  11.039     48.160  11.039     48.160  43.034  27.731  43.034  27.731  0.000000       0.000000 
1 1 1 -16 0  27 f 40.882   27.235  -2.6668    52.594  -2.6668    52.594  -2.6668    52.594  40.882  27.235  40.882  27.235  0.000000       0.000000 
1 1 1 -16 0  28 o 40.464   26.581  3.5597     47.345  3.5597     47.345  3.5597     47.345  40.464  26.581  40.464  26.581  -0.000000      0.000000 
1 1 1 -16 0  29 f 173.836  17.521  287.054    51.942  287.054    51.942  287.054    51.942  173.836 17.521  173.836 17.521  0.000000       0.000000 
1 1 1 -16 0  30 o 35.745   19.265  17.447     16.686  17.447     16.686  17.447     16.686  35.745  19.265  35.745  19.265  0.000000       0.000000 
1 1 1 -16 0  31 o 82.087   19.590  71.627     24.363  71.627     24.363  71.627     24.363  82.087  19.590  82.087  19.590  0.000000       0.000000 
1 1 1 -16 0  32 o 70.255   19.655  54.852     20.864  54.852     20.864  54.852     20.864  70.255  19.655  70.255  19.655  0.000000       0.000000 
1 1 1 -16 0  33 o 76.162   27.078  74.023     32.810  74.023     32.810  74.023     32.810  76.162  27.078  76.162  27.078  -0.000000      0.000000 
1 1 1 -16 0  34 o 56.013   25.644  45.142     27.361  45.142     27.361  45.142     27.361  56.013  25.644  56.013  25.644  -0.000000      0.000000 
1 1 1 -16 0  35 o 38.025   19.714  20.501     16.925  20.501     16.925  20.501     16.925  38.025  19.714  38.025  19.714  0.000000       0.000000 
1 1 1 -16 0  36 o 78.605   21.407  69.620     25.399  69.620     25.399  69.620     25.399  78.605  21.407  78.605  21.407  -0.000000      0.000000 
1 1 1 -16 0  37 f 168.573  16.163  272.535    46.569  272.535    46.569  272.535    46.569  168.573 16.163  168.573 16.163  0.000000       0.000000 
1 1 1 -16 0  38 o 25.399   15.965  4.5151     14.826  4.5151     14.826  4.5151     14.826  25.399  15.965  25.399  15.965  0.000000       0.000000 
1 1 1 -16 0  39 o 27.802   17.053  7.6514     15.920  7.6514     15.920  7.6514     15.920  27.802  17.053  27.802  17.053  -0.000000      0.000000 
1 1 1 -16 0  40 o 62.453   22.117  49.390     21.942  49.390     21.942  49.390     21.942  62.453  22.117  62.453  22.117  0.000000       0.000000 
1 1 1 -16 0  41 o 16.844   11.650  -8.2041    11.666  -8.2041    11.666  -8.2041    11.666  16.844  11.650  16.844  11.650  -0.000000      0.000000 
1 1 1 -16 0  42 o 24.850   15.601  4.7494     14.112  4.7494     14.112  4.7494     14.112  24.850  15.601  24.850  15.601  0.000000       0.000000 
1 1 1 -16 0  43 o 42.260   21.608  27.407     20.158  27.407     20.158  27.407     20.158  42.260  21.608  42.260  21.608  0.000000       0.000000 
1 1 1 -16 1  1  o 31.362   11.886  6.7526     8.9498  7.7406     12.934  5.8449     12.397  35.809  14.094  33.949  13.653  1.859764       19.62246 
1 1 1 -16 1  2  o 49.978   13.712  23.846     12.326  23.156     15.530  25.020     20.263  49.653  15.864  52.324  18.155  -2.671677      24.10900 
1 1 1 -16 1  3  o 130.471  11.782  156.024    26.552  168.349    33.087  133.729    44.500  134.072 14.357  113.358 23.262  20.71320       27.33609 
1 1 1 -16 1  4  o 68.548   13.989  44.787     16.176  56.282     21.595  30.091     24.417  75.884  16.747  56.947  19.919  18.93611       26.02399 
1 1 1 -16 1  5  o 55.905   14.627  30.056     14.442  44.335     19.677  13.381     21.264  67.255  16.804  45.538  18.024  21.71698       24.64221 
1 1 1 -16 1  6  o 151.671  11.954  210.334    31.402  229.398    39.176  176.075    52.518  156.829 14.470  130.326 23.962  26.50330       27.99181 
1 1 1 -16 1  7  o 70.617   14.007  47.371     16.661  60.194     22.452  31.656     24.854  78.609  16.863  58.190  20.111  20.41850       26.24558 
1 1 1 -16 1  8  o 112.185  12.333  115.817    23.760  127.466    30.431  97.626     38.029  116.177 15.379  97.194  22.802  18.98364       27.50363 
1 1 1 -16 1  9  o 88.651   12.948  73.127     19.452  81.856     25.280  60.459     30.455  92.357  16.271  76.899  21.723  15.45825       27.14104 
1 1 1 -16 1  10 o 35.257   13.847  7.3775     12.460  2.6484     21.048  9.9288     15.460  39.944  17.057  39.546  15.455  0.3984222      23.01770 
1 1 1 -16 1  11 o 31.330   11.597  7.1539     8.4149  22.579     11.984  -7.8482    11.819  48.842  13.567  25.395  11.665  23.44742       17.89294 
1 1 1 -16 1  12 o 39.711   12.519  14.299     9.6964  3.8927     13.452  25.554     13.990  33.791  13.980  51.810  14.754  -18.01888      20.32546 
1 1 1 -16 1  13 o 97.636   16.634  91.509     27.342  0.0000     0.0000  91.509     27.342  ?       ?       97.636  16.634  0.000000       16.63437 
1 1 1 -16 1  14 o 53.738   15.312  27.614     15.063  34.248     23.608  23.059     19.563  59.779  19.597  50.995  17.830  8.784267       26.49414 
1 1 1 -16 1  15 o 72.214   17.077  50.943     21.194  52.892     29.290  48.801     30.707  72.279  21.569  69.693  22.311  2.585678       31.03222 
1 1 1 -16 1  16 o 228.984  12.730  479.668    50.698  510.697    62.544  420.218    86.572  233.856 15.403  201.643 25.134  32.21252       29.47869 
1 1 1 -16 1  17 o 92.260   14.650  80.319     22.812  59.867     28.886  114.213    37.186  76.837  20.953  106.879 20.674  -30.04192      29.43484 
1 1 1 -16 1  18 o 225.671  12.691  466.007    49.803  481.796    62.184  437.762    83.171  226.645 15.812  207.885 23.315  18.75986       28.17126 
1 1 1 -16 1  19 o 130.575  13.461  157.862    30.250  148.675    38.462  172.760    48.980  123.774 18.353  130.685 22.263  -6.911003      28.85231 
1 1 1 -16 1  20 o 224.372  12.606  460.703    49.187  453.065    60.229  475.996    85.228  219.646 15.810  217.237 22.810  2.409302       27.75320 
1 1 1 -16 1  21 o 246.920  13.608  562.159    58.443  530.878    71.589  624.659    101.193 235.893 17.506  247.559 23.700  -11.66615      29.46418 
1 1 1 -16 1  22 o 122.406  13.755  139.441    28.889  134.515    33.937  152.400    55.050  118.408 16.894  118.279 27.220  0.1290665      32.03647 
1 1 1 -16 1  23 o 59.889   18.906  34.931     22.109  20.458     26.229  70.459     41.095  52.063  20.191  81.086  25.795  -29.02284      32.75701 
1 1 1 -16 1  24 o 38.456   16.490  1.8765     19.820  14.293     23.633  -27.5620   36.388  47.413  18.927  41.799  19.625  5.613892       27.26509 
1 1 1 -16 1  25 o 87.398   18.160  75.442     26.808  62.452     30.288  122.428    57.604  77.840  21.550  102.703 30.148  -24.86279      37.05774 
1 1 1 -16 1  26 o 130.051  14.954  159.441    33.339  149.962    38.510  187.800    66.608  123.855 18.363  127.888 30.294  -4.033203      35.42542 
1 1 1 -16 1  27 o 89.127   19.380  79.776     29.299  63.241     34.001  127.475    57.748  77.503  23.264  104.553 30.041  -27.04986      37.99606 
1 1 1 -16 1  28 o 97.009   17.337  91.968     28.289  94.188     32.380  84.810     58.142  96.675  19.847  85.654  30.663  11.02129       36.52567 
1 1 1 -16 1  29 o 72.293   14.843  50.363     18.109  47.674     19.355  69.261     51.309  69.750  16.202  79.275  28.750  -9.525589      33.00066 
1 1 1 -16 1  30 o 92.077   13.479  79.778     21.029  61.313     24.034  140.087    43.435  78.417  17.942  116.388 22.183  -37.97092      28.53051 
1 1 1 -16 1  31 o 78.191   12.100  57.099     15.986  45.176     22.012  70.406     23.254  67.056  18.292  84.994  16.262  -17.93858      24.47576 
1 1 1 -16 1  32 o 24.873   10.809  -0.8625    8.7418  9.5375     12.434  -11.0265   12.292  36.695  13.986  24.548  11.488  12.14699       18.09887 
1 1 1 -16 1  33 o 101.472  11.741  95.262     20.418  84.697     28.844  105.874    28.907  91.881  18.617  104.433 16.392  -12.55219      24.80500 
1 1 1 -16 1  34 o 90.165   11.299  75.170     17.398  86.963     24.297  62.761     24.923  95.121  15.136  78.827  18.437  16.29379       23.85372 
1 1 1 -16 1  35 o 90.652   11.203  75.959     17.355  70.943     24.663  80.879     24.425  84.506  17.297  91.173  15.922  -6.667694      23.50977 
1 1 1 -16 1  36 o 88.992   11.552  73.550     17.527  77.796     25.057  69.483     24.525  88.825  16.771  83.482  17.390  5.342628       24.15900 
1 1 1 -16 1  37 o 116.414  11.260  124.935    22.602  127.969    32.213  121.993    31.721  114.462 16.603  111.584 16.802  2.878654       23.62099 
1 1 1 -16 1  38 o 113.565  10.702  118.450    20.972  114.844    29.970  121.910    29.357  108.423 16.338  112.426 15.357  -4.002251      22.42208 
1 1 1 -16 1  39 o 72.348   18.633  53.764     23.681  53.764     23.681  0.0000     0.0000  72.348  18.633  ?       ?       0.000000       18.63273 
1 1 1 -16 1  40 o 54.329   18.257  28.873     20.459  28.873     20.459  0.0000     0.0000  54.329  18.257  ?       ?       0.000000       18.25745 
1 1 1 -16 1  41 o 98.485   18.476  98.618     30.604  98.618     30.604  0.0000     0.0000  98.485  18.476  ?       ?       0.000000       18.47581 
1 1 1 -16 1  42 o 26.107   11.353  -0.6900    9.6564  -7.4819    12.869  8.0617     14.608  26.609  12.205  36.995  14.841  -10.38633      19.21486 
1 1 1 -16 1  43 o 98.192   13.441  92.115     22.440  96.911     28.791  84.691     35.818  98.031  17.460  87.049  23.160  10.98153       29.00436 
1 1 1 -16 2  1  o 79.339   11.945  58.715     16.035  54.306     24.034  62.251     21.527  73.242  18.722  79.874  15.993  -6.632309      24.62296 
1 1 1 -16 2  2  o 40.568   13.740  14.559     11.589  -2.6850    17.936  26.917     15.184  34.485  15.220  52.770  15.474  -18.28503      21.70488 
1 1 1 -16 2  3  o 72.883   11.375  49.336     14.003  67.643     21.807  36.490     18.267  83.725  15.487  60.863  16.689  22.86216       22.76789 
1 1 1 -16 2  4  o 66.274   12.201  41.279     13.599  44.186     21.213  39.251     17.719  66.582  17.872  63.302  16.018  3.280193       23.99946 
1 1 1 -16 2  5  o 40.071   12.774  14.619     10.074  23.163     16.617  9.6532     12.668  49.878  16.446  37.054  14.118  12.82377       21.67442 
1 1 1 -16 2  6  o 89.172   10.674  72.798     16.289  87.748     23.543  59.071     22.560  96.304  14.447  77.495  17.128  18.80840       22.40707 
1 1 1 -16 2  7  o 55.300   12.429  28.979     11.709  30.330     17.435  27.869     15.802  55.942  16.629  53.792  15.790  2.150845       22.93183 
1 1 1 -16 2  8  o 34.062   12.337  9.0757     9.4435  6.3964     14.444  11.076     12.480  36.248  14.681  38.107  14.120  -1.859234      20.36931 
1 1 1 -16 2  9  o 50.869   16.728  24.096     17.198  30.069     24.171  17.972     24.475  56.855  19.822  49.811  19.452  7.043892       27.77242 
1 1 1 -16 2  10 o 47.103   16.413  19.540     16.571  9.1113     23.388  30.051     23.481  44.623  18.446  56.700  19.551  -12.07650      26.87902 
1 1 1 -16 2  11 o 76.449   16.117  56.680     20.836  56.680     20.836  0.0000     0.0000  76.449  16.117  ?       ?       0.000000       16.11679 
1 1 1 -16 2  12 o 49.155   18.926  18.125     22.917  18.125     22.917  0.0000     0.0000  49.155  18.926  ?       ?       0.000000       18.92613 
1 1 1 -16 2  13 o 127.462  16.277  154.796    35.399  154.796    35.399  0.0000     0.0000  127.462 16.277  ?       ?       0.000000       16.27730 
1 1 1 -16 2  14 o 69.277   18.580  47.796     22.938  47.796     22.938  0.0000     0.0000  69.277  18.580  ?       ?       0.000000       18.57990 
1 1 1 -16 2  15 o 156.016  15.103  228.526    40.629  228.526    40.629  0.0000     0.0000  156.016 15.103  ?       ?       0.000000       15.10329 
1 1 1 -16 2  16 o 85.140   13.549  68.089     19.467  93.284     26.736  39.658     28.401  98.664  16.073  63.673  21.511  34.99099       26.85218 
1 1 1 -16 2  17 o 50.361   14.947  24.109     14.093  37.748     20.224  11.233     19.650  61.951  17.772  43.253  17.261  18.69847       24.77440 
1 1 1 -16 2  18 o 142.746  12.054  186.778    29.763  210.663    38.242  150.088    47.399  149.901 14.804  120.329 23.402  29.57218       27.69176 
1 1 1 -16 2  19 o 41.903   15.471  13.827     14.955  21.250     18.058  -2.3804    26.682  48.957  17.130  42.079  18.568  6.877640       25.26251 
1 1 1 -16 2  20 o 86.299   14.736  70.853     21.408  63.053     26.527  85.422     36.255  79.168  19.353  90.306  22.946  -11.13840      30.01727 
1 1 1 -16 2  21 o 46.843   16.465  19.195     16.693  31.172     21.272  -0.0008    26.930  56.972  18.598  43.110  18.849  13.86193       26.47964 
1 1 1 -16 2  22 o 32.717   14.076  0.4161     14.527  5.1614     18.676  -6.8531    23.115  39.091  16.347  37.560  16.880  1.531315       23.49857 
1 1 1 -16 2  23 o 28.719   12.743  -3.2929    12.738  1.6635     16.487  -10.6339   20.065  35.316  15.089  33.427  15.298  1.888668       21.48742 
1 1 1 -16 2  24 o 75.069   15.361  54.462     19.456  71.397     25.123  29.087     30.752  85.153  17.483  58.025  22.024  27.12806       28.11899 
1 1 1 -16 2  25 o 37.669   14.536  9.6017     13.542  -1.5919    19.818  19.408     18.549  36.753  16.117  47.693  17.288  -10.94012      23.63475 
1 1 1 -16 2  26 o 95.551   18.651  90.914     30.000  90.914     30.000  0.0000     0.0000  95.551  18.651  ?       ?       0.000000       18.65055 
1 1 1 -16 2  27 o 108.388  17.519  114.951    32.024  114.951    32.024  0.0000     0.0000  108.388 17.519  ?       ?       0.000000       17.51861 
1 1 1 -16 2  28 o 44.607   18.391  9.9493     23.166  9.9493     23.166  0.0000     0.0000  44.607  18.391  ?       ?       0.000000       18.39089 
1 1 1 -16 2  29 o 44.204   18.290  9.3905     23.027  9.3905     23.027  0.0000     0.0000  44.204  18.290  ?       ?       0.000000       18.29023 
1 1 1 -16 2  30 o 84.725   16.953  70.766     24.204  82.078     30.560  51.729     39.645  89.518  20.050  70.368  25.306  19.15004       32.28626 
1 1 1 -16 2  31 o 48.443   18.352  19.010     21.328  32.293     28.898  3.1174     31.609  58.713  21.532  46.871  20.459  11.84194       29.70192 
1 1 1 -16 2  32 o 62.651   14.880  38.310     16.035  47.134     30.932  35.067     18.752  67.350  22.448  59.396  17.134  7.954884       28.24015 
1 1 1 -16 2  33 o 65.226   15.290  41.720     17.110  44.714     32.633  40.585     20.094  65.942  23.030  63.570  17.534  2.372509       28.94513 
1 1 1 -16 2  34 o 57.199   22.100  28.576     31.331  28.576     31.331  0.0000     0.0000  57.199  22.100  ?       ?       0.000000       22.09952 
1 1 1 -16 2  35 o 128.076  25.376  180.872    54.742  180.872    54.742  0.0000     0.0000  128.076 25.376  ?       ?       0.000000       25.37619 
1 1 1 -16 2  36 o 58.356   22.725  30.204     33.335  30.204     33.335  0.0000     0.0000  58.356  22.725  ?       ?       0.000000       22.72544 
1 1 1 -16 2  37 o 33.944   14.003  4.7577     13.441  15.424     32.455  2.5497     14.767  51.498  21.544  33.859  14.368  17.63880       25.89579 
1 1 1 -16 2  38 o 133.737  12.838  167.755    29.611  186.468    53.710  159.584    35.492  130.261 24.514  127.835 16.270  2.426201       29.42187 
1 1 1 -16 2  39 o 67.964   15.869  46.019     18.489  39.118     37.448  48.244     21.262  62.903  24.201  68.777  17.625  -5.873627      29.93816 
1 1 1 -16 2  40 o 34.880   14.317  5.6307     13.962  0.0000     0.0000  5.6307     13.962  ?       ?       34.880  14.317  0.000000       14.31700 
1 1 1 -16 2  41 o 47.297   15.652  21.340     15.047  63.828     37.174  13.015     16.455  74.773  24.595  41.532  16.024  33.24113       29.35431 
1 1 1 -16 2  42 o 90.352   14.249  79.111     21.735  95.913     45.755  74.215     24.699  88.770  27.065  85.655  17.113  3.114769       32.02131 
1 1 1 -16 3  1  o 28.896   12.274  1.2573     10.795  6.5322     13.009  -10.4008   19.341  34.790  13.988  32.544  14.940  2.245544       20.46626 
1 1 1 -16 3  2  o 76.705   12.509  55.516     16.176  55.688     20.736  55.248     25.855  75.030  16.295  73.011  19.787  2.019287       25.63286 
1 1 1 -16 3  3  o 95.439   13.624  86.259     22.059  53.558     34.479  108.919    28.701  70.836  23.702  105.965 16.011  -35.12897      28.60315 
1 1 1 -16 3  4  o 30.520   12.433  4.0547     10.430  -3.8651    12.064  27.494     20.754  27.491  12.286  53.777  18.387  -26.28565      22.11386 
1 1 1 -16 3  5  o 35.983   14.344  7.4226     13.556  20.211     18.617  -7.0129    19.779  48.055  17.334  34.335  15.505  13.72084       23.25723 
1 1 1 -16 3  6  o 41.360   15.644  12.970     15.483  0.0010     21.581  26.726     22.225  38.783  16.917  53.714  18.987  -14.93082      25.43013 
1 1 1 -16 3  7  o 61.044   14.122  35.998     14.753  31.836     17.922  44.748     25.984  56.922  16.846  66.185  20.434  -9.262806      26.48248 
1 1 1 -16 3  8  o 44.261   15.554  17.123     14.895  14.277     19.106  21.532     23.784  44.465  17.236  51.128  19.377  -6.663059      25.93352 
1 1 1 -16 3  9  o 94.162   14.743  84.604     23.445  91.453     30.328  74.433     36.958  95.566  18.845  82.946  24.091  12.62034       30.58571 
1 1 1 -16 3  10 o 126.404  12.857  148.472    27.981  148.251    35.809  148.818    44.838  123.607 17.045  119.863 22.243  3.743935       28.02266 
1 1 1 -16 3  11 o 57.270   13.355  31.436     13.110  31.167     22.501  31.574     16.130  56.914  19.147  56.877  15.719  0.3689957E-01  24.77240 
1 1 1 -16 3  12 o 134.169  10.737  164.087    24.942  189.093    38.407  145.851    32.800  140.704 15.913  123.661 15.533  17.04255       22.23745 
1 1 1 -16 3  13 o 138.337  10.188  173.645    24.435  232.559    37.686  130.917    32.095  157.809 13.816  116.684 16.189  41.12593       21.28327 
1 1 1 -16 3  14 o 123.769  12.740  142.134    27.140  138.259    45.441  144.283    33.838  114.508 23.515  122.562 16.210  -8.054710      28.56029 
1 1 1 -16 3  15 o 33.622   13.650  5.2705     12.519  2.1371     19.318  7.5395     16.439  37.994  16.286  38.533  15.643  -0.5385094     22.58139 
1 1 1 -16 3  16 o 94.260   11.751  82.172     18.920  81.620     25.915  82.803     27.686  91.390  16.862  91.423  17.984  -0.3329468E-01 24.65245 
1 1 1 -16 3  17 o 58.368   14.639  33.022     14.894  22.626     19.169  48.856     23.657  50.131  17.642  69.514  18.964  -19.38329      25.90176 
1 1 1 -16 3  18 o 128.651  11.017  151.302    24.509  136.807    33.284  168.473    36.226  119.113 16.442  132.687 15.956  -13.57418      22.91122 
1 1 1 -16 3  19 o 30.162   12.640  2.2744     11.202  9.4061     14.243  -9.2890    18.136  38.014  14.841  31.946  14.591  6.067844       20.81234 
1 1 1 -16 3  20 o 43.960   14.112  17.861     12.278  18.507     18.026  17.301     16.770  46.728  17.026  45.280  16.434  1.447899       23.66347 
1 1 1 -16 3  21 o 75.651   13.418  54.309     17.075  55.581     23.381  52.855     24.994  74.387  18.160  71.995  19.431  2.391701       26.59586 
1 1 1 -16 3  22 o 101.226  13.430  96.309     23.152  86.346     36.941  102.754    29.710  89.735  23.352  102.400 17.228  -12.66480      29.01937 
1 1 1 -16 3  23 o 101.792  14.134  98.141     24.443  106.889    38.918  92.443     31.411  100.564 22.702  95.550  19.487  5.013763       29.91885 
1 1 1 -16 3  24 o 96.054   14.491  87.938     23.548  111.873    37.496  72.350     30.260  103.900 21.381  83.414  20.837  20.48591       29.85522 
1 1 1 -16 3  25 o 182.864  11.237  306.015    35.704  301.406    48.301  311.567    53.014  177.639 15.735  179.210 17.152  -1.570831      23.27608 
1 1 1 -16 3  26 o 52.949   16.350  27.216     16.635  35.827     23.023  17.809     24.062  59.923  19.333  48.996  19.243  10.92642       27.27710 
1 1 1 -16 3  27 o 75.235   14.082  54.349     17.819  36.008     21.626  93.126     31.445  59.968  18.662  95.650  19.489  -35.68145      26.98369 
1 1 1 -16 3  28 o 140.353  12.307  182.737    29.855  180.148    36.459  188.006    52.017  137.047 15.509  133.176 23.213  3.870499       27.91740 
1 1 1 -16 3  29 o 123.395  15.987  147.305    33.636  147.305    33.636  0.0000     0.0000  123.395 15.987  ?       ?       0.000000       15.98724 
1 1 1 -16 3  30 o 108.337  15.826  113.827    29.053  113.827    29.053  0.0000     0.0000  108.337 15.826  ?       ?       0.000000       15.82557 
1 1 1 -16 3  31 o 70.036   17.704  49.673     21.662  49.673     21.662  0.0000     0.0000  70.036  17.704  ?       ?       0.000000       17.70440 
1 1 1 -16 3  32 o 88.079   17.554  77.750     26.050  77.750     26.050  0.0000     0.0000  88.079  17.554  ?       ?       0.000000       17.55423 
1 1 1 -16 3  33 o 71.134   17.715  51.397     21.920  51.397     21.920  0.0000     0.0000  71.134  17.715  ?       ?       0.000000       17.71545 
1 1 1 -16 3  34 o 56.818   17.776  32.307     19.590  32.307     19.590  0.0000     0.0000  56.818  17.776  ?       ?       0.000000       17.77558 
1 1 1 -16 3  35 o 47.687   16.088  21.401     15.887  26.231     18.882  9.6970     29.394  52.083  17.540  47.508  20.219  4.575577       26.76652 
1 1 1 -16 3  36 o 126.060  13.678  150.946    29.624  163.796    36.194  124.872    51.559  129.168 16.419  101.624 28.110  27.54388       32.55378 
1 1 1 -16 3  37 o 17.143   8.4850  -20.9107   9.4393  -20.9940   10.356  -20.5016   22.953  18.442  9.0820  32.516  15.365  -14.07423      17.84852 
1 1 1 -16 3  38 o 91.112   14.757  80.815     22.673  84.857     27.576  72.381     39.832  91.268  17.944  78.740  25.432  12.52845       31.12500 
1 1 1 -16 3  39 o 126.423  13.518  152.283    29.378  161.501    36.047  134.047    50.701  127.678 16.559  105.508 27.309  22.17004       31.93748 
1 1 1 -16 3  40 o 48.898   16.483  23.077     16.675  11.118     19.414  56.723     32.564  42.010  17.018  71.093  22.998  -29.08289      28.61033 
1 1 1 -16 3  41 o 72.379   16.000  52.829     19.682  41.495     23.400  80.240     36.391  62.625  19.401  83.418  23.810  -20.79301      30.71308 
1 1 1 -16 4  1  o 137.201  11.949  175.872    28.339  89.308     44.922  233.097    36.524  85.831  26.928  156.721 13.478  -70.89063      30.11290 
1 1 1 -16 4  2  o 40.387   14.675  13.804     13.378  2.7286     16.703  33.621     22.342  35.561  15.191  57.559  19.074  -21.99806      24.38363 
1 1 1 -16 4  3  o 41.620   15.460  14.239     14.980  8.7938     17.044  32.730     31.406  39.275  15.933  58.497  22.244  -19.22229      27.36152 
1 1 1 -16 4  4  f 37.864   14.976  9.2358     14.672  4.8099     16.580  25.207     31.497  36.648  15.370  55.008  21.884  -18.35970      26.74226 
1 1 1 -16 4  5  o 106.848  15.874  111.632    28.715  95.434     36.565  137.698    46.384  93.605  22.623  111.182 24.549  -17.57722      33.38357 
1 1 1 -16 4  6  o 149.916  15.283  216.431    39.446  183.245    53.870  254.796    57.920  128.606 24.889  155.621 21.923  -27.01538      33.16772 
1 1 1 -16 4  7  o 147.870  15.087  209.885    38.407  161.006    52.190  267.629    56.726  119.549 25.762  161.187 20.628  -41.63773      33.00314 
1 1 1 -16 4  8  o 33.697   13.993  4.2168     13.549  0.0001     18.037  9.6769     20.525  35.547  15.487  42.341  17.367  -6.793644      23.26904 
1 1 1 -16 4  9  o 110.618  12.146  114.120    23.074  104.355    33.037  123.421    32.242  100.978 19.443  111.834 17.051  -10.85594      25.86027 
1 1 1 -16 4  10 o 73.817   14.665  52.977     18.235  51.205     26.716  54.522     24.952  69.840  20.540  72.557  19.343  -2.717110      28.21385 
1 1 1 -16 4  11 o 26.647   11.958  -4.1421    11.552  -10.9404   14.544  7.4770     19.014  27.271  12.673  40.174  16.621  -12.90301      20.90142 
1 1 1 -16 4  12 o 133.983  10.469  164.200    24.296  141.078    33.750  189.074    35.005  120.194 16.518  141.063 14.414  -20.86919      21.92307 
1 1 1 -16 4  13 o 132.163  10.962  160.459    25.067  121.214    35.416  199.860    35.486  109.307 19.260  145.273 14.170  -35.96545      23.91089 
1 1 1 -16 4  14 o 108.763  11.462  109.467    21.439  85.894     29.372  136.344    31.363  91.875  18.939  118.920 15.471  -27.04449      24.45477 
1 1 1 -16 4  15 o 173.538  11.016  276.069    33.206  274.479    45.924  277.812    48.071  168.946 15.749  169.255 16.475  -0.3093872     22.79166 
1 1 1 -16 4  16 f 37.201   14.541  9.1313     13.687  -3.6734    16.716  35.173     23.839  32.671  14.542  59.282  19.705  -26.61089      24.48986 
1 1 1 -16 4  17 o 63.803   15.577  40.216     17.202  40.782     22.741  39.458     26.300  63.206  19.038  62.224  20.698  0.9819374      28.12198 
1 1 1 -16 4  18 o 109.379  11.516  110.775    21.663  82.731     28.194  151.195    33.848  90.405  18.484  124.987 15.867  -34.58208      24.36055 
1 1 1 -16 4  19 o 49.177   15.152  23.299     14.296  16.214     17.258  38.792     25.521  44.457  16.578  61.734  20.382  -17.27735      26.27261 
1 1 1 -16 4  20 o 47.555   17.711  19.158     19.686  61.831     30.108  -12.7078   26.017  76.082  21.636  37.526  17.264  38.55592       27.68016 
1 1 1 -16 4  21 o 23.829   11.347  -15.1766   12.991  -33.9871   23.224  -6.6096    15.673  29.615  14.369  30.283  13.727  -0.6681385     19.87267 
1 1 1 -16 4  22 o 95.910   15.884  89.877     25.670  75.440     40.115  99.887     33.405  81.448  25.429  98.211  20.155  -16.76276      32.44819 
1 1 1 -16 4  23 o 81.885   16.588  66.625     22.904  39.677     36.229  84.566     29.560  63.290  23.933  90.747  19.252  -27.45640      30.71514 
1 1 1 -16 4  24 o 32.070   15.090  -18.5697   21.713  -25.4993   23.645  18.711     54.845  31.937  15.235  60.799  26.733  -28.86291      30.76914 
1 1 1 -16 4  25 o 149.776  24.761  246.211    62.492  246.211    62.492  0.0000     0.0000  149.776 24.761  ?       ?       0.000000       24.76094 
1 1 1 -16 4  26 o 127.083  12.825  151.633    28.068  151.633    28.068  0.0000     0.0000  127.083 12.825  ?       ?       0.000000       12.82459 
1 1 1 -16 4  27 o 92.883   11.473  80.379     18.211  99.765     22.211  40.609     31.812  102.963 12.618  62.904  22.664  40.05951       25.94003 
1 1 1 -16 4  28 o 83.960   13.156  67.181     18.653  77.187     23.723  50.978     30.188  88.493  15.939  68.798  22.132  19.69579       27.27400 
1 1 1 -16 4  29 o 20.744   9.6585  -7.1521    8.5147  2.3093     11.520  -18.5424   12.640  30.332  12.771  22.242  10.746  8.089626       16.69051 
1 1 1 -16 4  30 o 121.829  12.562  139.432    26.338  159.728    32.986  103.731    43.749  128.644 14.965  94.453  25.798  34.19109       29.82429 
1 1 1 -16 4  31 o 173.756  10.884  277.979    32.854  292.664    38.670  239.877    62.289  176.757 12.612  146.141 25.328  30.61578       28.29453 
1 1 1 -16 4  32 o 121.013  16.541  144.791    34.036  144.791    34.036  0.0000     0.0000  121.013 16.541  ?       ?       0.000000       16.54138 
1 1 1 -16 4  33 o 123.242  10.745  140.306    22.891  164.645    33.680  119.408    31.207  130.273 15.086  109.411 16.878  20.86153       22.63744 
1 1 1 -16 4  34 o 102.324  11.371  97.727     19.973  132.446    30.256  70.915     26.589  116.511 15.238  82.438  18.879  34.07339       24.26081 
1 1 1 -16 4  35 o 187.118  10.680  322.689    34.748  352.386    50.195  295.360    48.152  190.536 15.214  173.351 16.092  17.18573       22.14562 
1 1 1 -16 4  36 o 88.046   10.994  72.437     16.533  106.572    26.305  50.145     21.257  104.474 14.837  69.660  17.499  34.81411       22.94226 
1 1 1 -16 4  37 f 74.550   14.228  54.562     17.845  68.800     23.562  35.409     27.328  82.150  16.987  58.559  21.016  23.59152       27.02266 
1 1 1 -16 4  38 o 86.489   13.842  72.734     20.199  82.267     27.290  61.184     30.039  89.006  18.174  73.917  21.791  15.08887       28.37518 
1 1 1 -16 4  39 o 48.505   15.752  23.186     15.266  24.379     24.536  22.432     19.501  51.428  19.636  48.792  17.720  2.636230       26.44881 
1 1 1 -16 5  1  o 62.254   18.207  41.225     21.045  20.824     26.514  75.959     34.597  49.897  20.002  80.394  23.297  -30.49730      30.70564 
1 1 1 -16 5  2  o 43.255   17.250  13.787     19.612  -6.5966    24.151  53.253     33.605  37.265  16.950  67.840  23.389  -30.57532      28.88460 
1 1 1 -16 5  3  o 66.634   18.861  47.515     22.934  49.525     28.420  43.762     38.831  66.645  21.477  63.268  24.558  3.376850       32.62481 
1 1 1 -16 5  4  o 33.104   14.720  -2.4816    17.084  -7.3545    20.280  9.4262     31.703  34.002  15.491  47.618  20.639  -13.61580      25.80611 
1 1 1 -16 5  5  o 54.021   21.001  27.033     28.429  53.521     45.845  10.484     36.237  68.015  26.605  50.121  21.891  17.89366       34.45341 
1 1 1 -16 5  6  o 85.856   12.708  70.549     18.475  58.028     23.860  89.295     29.194  74.245  18.478  92.440  18.729  -18.19559      26.31002 
1 1 1 -16 5  7  o 162.819  9.9702  243.340    28.208  181.352    38.697  313.628    41.206  134.579 16.836  181.816 13.067  -47.23738      21.31197 
1 1 1 -16 5  8  o 126.728  10.464  148.378    22.948  106.972    31.429  195.658    33.585  101.904 18.338  143.027 13.612  -41.12299      22.83786 
1 1 1 -16 5  9  o 125.006  10.926  145.018    23.608  104.789    31.926  193.553    35.068  100.444 18.897  141.615 14.381  -41.17165      23.74725 
1 1 1 -16 5  10 f 159.171  12.582  238.710    34.684  184.687    56.739  270.939    43.825  124.919 26.815  166.888 15.206  -41.96875      30.82644 
1 1 1 -16 5  11 o 112.426  12.732  119.792    24.554  82.296     39.268  143.863    31.463  83.695  24.974  121.404 15.174  -37.70905      29.22222 
1 1 1 -16 5  12 o 78.006   14.898  59.965     19.552  45.755     29.393  71.243     26.186  65.015  21.883  82.756  18.578  -17.74136      28.70548 
1 1 1 -16 5  13 o 58.231   16.627  34.433     17.744  28.437     24.779  40.743     25.419  54.333  19.937  62.121  20.333  -7.788250      28.47672 
1 1 1 -16 5  14 o 32.835   13.796  3.3797     13.399  -9.7178    17.206  23.559     21.357  30.434  14.015  50.463  18.510  -20.02949      23.21782 
1 1 1 -16 5  15 o 86.520   20.702  80.439     30.856  0.0000     0.0000  80.439     30.856  ?       ?       86.520  20.702  0.000000       20.70218 
1 1 1 -16 5  16 o 62.498   20.448  41.276     25.707  0.0000     0.0000  41.276     25.707  ?       ?       62.498  20.448  0.000000       20.44754 
1 1 1 -16 5  17 o 60.854   20.797  38.718     26.550  0.0000     0.0000  38.718     26.550  ?       ?       60.854  20.797  0.000000       20.79661 
1 1 1 -16 5  18 o 111.034  19.631  128.404    36.667  0.0000     0.0000  128.404    36.667  ?       ?       111.034 19.631  0.000000       19.63073 
1 1 1 -16 5  19 o 72.978   29.408  63.405     57.641  0.0000     0.0000  63.405     57.641  ?       ?       72.978  29.408  0.000000       29.40804 
1 1 1 -16 5  20 o 68.366   29.441  46.251     63.671  0.0000     0.0000  46.251     63.671  ?       ?       68.366  29.441  0.000000       29.44070 
1 1 1 -16 5  21 o 29.183   12.960  -2.7410    13.203  -3.2675    13.673  4.5283     50.806  29.442  13.125  54.737  24.773  -25.29447      28.03483 
1 1 1 -16 5  22 o 53.411   15.908  28.535     15.943  -3.6610    20.396  79.111     25.563  35.714  15.967  88.330  17.193  -52.61642      23.46406 
1 1 1 -16 5  23 o 56.528   20.931  31.408     27.413  0.0000     0.0000  31.408     27.413  ?       ?       56.528  20.931  0.000000       20.93050 
1 1 1 -16 5  24 f 57.228   21.560  32.093     29.336  0.0000     0.0000  32.093     29.336  ?       ?       57.228  21.560  0.000000       21.56043 
1 1 1 -16 5  25 o 74.431   17.873  57.395     22.935  64.585     30.143  47.508     35.346  76.475  21.615  65.726  23.858  10.74926       32.19302 
1 1 1 -16 5  26 o 49.187   16.920  23.300     17.583  28.095     22.206  15.239     28.788  53.468  18.970  48.897  20.359  4.570652       27.82710 
1 1 1 -16 5  27 f 86.940   14.850  74.310     21.733  86.111     26.474  49.918     38.061  92.153  17.082  66.779  24.675  25.37482       30.01095 
1 1 1 -16 5  28 o 66.937   16.609  45.825     19.320  44.310     23.343  49.121     34.421  64.573  19.252  66.340  23.610  -1.766548      30.46409 
1 1 1 -16 5  29 o 98.602   13.953  94.191     23.352  97.782     28.872  87.396     39.711  97.844  17.544  85.762  24.990  12.08180       30.53375 
1 1 1 -16 5  30 o 108.412  12.933  112.224    23.999  122.367    29.719  93.213     40.688  111.072 15.767  88.353  25.162  22.71880       29.69335 
1 1 1 -16 5  31 o 74.029   14.869  54.510     18.552  77.306     22.948  11.507     31.518  88.084  15.486  48.350  20.766  39.73329       25.90429 
1 1 1 -16 5  32 o 86.761   17.039  77.057     24.892  68.095     34.793  86.453     35.626  76.274  23.661  86.715  23.111  -10.44142      33.07492 
1 1 1 -16 5  33 o 84.938   12.394  69.038     17.839  41.908     31.585  81.747     21.617  61.953  22.543  91.520  13.970  -29.56714      26.52093 
1 1 1 -16 5  34 o 58.287   13.856  33.780     13.895  31.060     23.024  35.338     17.426  54.984  19.336  58.546  16.395  -3.562519      25.35139 
1 1 1 -16 5  35 o 68.234   12.465  45.086     14.303  58.047     23.757  37.715     17.914  73.740  18.486  60.323  16.522  13.41612       24.79322 
1 1 1 -16 5  36 o 113.225  10.300  119.245    20.140  154.290    30.978  93.589     26.506  125.426 14.406  95.867  16.425  29.55941       21.84813 
1 1 1 -16 6  1  o 49.845   18.754  25.043     22.183  47.978     27.693  -16.0261   37.058  63.768  21.240  41.638  19.629  22.13023       28.92131 
1 1 1 -16 6  2  o 59.037   19.442  38.986     23.227  32.114     28.669  52.112     39.623  54.859  21.155  64.348  24.855  -9.489162      32.63936 
1 1 1 -16 6  3  o 45.559   17.834  18.244     20.610  10.495     26.723  29.621     32.378  44.447  19.106  54.394  21.998  -9.946751      29.13669 
1 1 1 -16 6  4  o 34.887   14.314  6.7691     13.948  -6.6456    22.686  14.922     17.686  35.634  16.293  42.405  16.542  -6.771290      23.21831 
1 1 1 -16 6  5  o 49.975   16.064  25.625     15.907  34.898     24.182  18.552     21.119  56.615  19.822  46.086  18.049  10.52895       26.80833 
1 1 1 -16 6  6  o 28.263   12.822  -5.0525    13.705  -8.1568    16.992  0.7255     23.182  30.349  13.958  38.773  17.198  -8.423798      22.14959 
1 1 1 -16 6  7  o 40.775   16.474  11.612     18.140  4.1213     26.439  18.276     24.936  42.131  18.542  47.515  19.274  -5.384647      26.74458 
1 1 1 -16 6  8  o 47.406   16.548  22.125     16.847  26.143     23.004  17.478     24.741  51.332  19.141  47.114  19.166  4.218513       27.08680 
1 1 1 -16 6  9  o 26.025   11.311  -0.2463    9.5735  -2.8652    10.628  11.025     22.048  25.796  11.530  42.726  17.806  -16.93090      21.21291 
1 1 1 -16 6  10 f 53.688   14.637  29.242     14.099  9.1145     16.957  74.310     25.374  38.690  15.818  83.829  17.881  -45.13898      23.87296 
1 1 1 -16 6  11 o 70.120   13.364  48.420     15.765  36.971     19.414  70.584     27.011  59.070  17.545  80.382  19.455  -21.31204      26.19752 
1 1 1 -16 6  12 f 31.701   13.090  4.5383     11.759  13.605     13.721  -20.5406   22.820  39.863  14.798  31.847  15.128  8.016378       21.16262 
1 1 1 -16 6  13 o 61.482   24.827  40.984     41.172  0.0000     0.0000  40.984     41.172  ?       ?       61.482  24.827  0.000000       24.82655 
1 1 1 -16 6  14 o 99.377   29.044  133.524    53.567  0.0000     0.0000  133.524    53.567  ?       ?       99.377  29.044  0.000000       29.04355 
1 1 1 -16 6  15 o 40.507   17.584  4.4231     23.083  -23.5341   30.051  44.660     36.052  36.605  17.380  62.828  23.846  -26.22373      29.50777 
1 1 1 -16 6  16 o 106.165  14.579  111.215    26.312  100.986    47.774  115.669    31.524  87.208  27.819  105.548 17.734  -18.34010      32.99088 
1 1 1 -16 6  17 f 116.954  14.076  133.680    28.167  102.682    48.064  149.894    34.762  87.938  27.888  121.237 16.879  -33.29903      32.59800 
1 1 1 -16 6  18 o 84.415   16.180  72.642     22.980  51.227     38.748  84.261     28.542  65.935  24.791  88.751  18.992  -22.81571      31.22953 
1 1 1 -16 6  19 o 85.594   16.462  74.995     23.710  50.529     39.261  89.039     29.746  65.612  24.889  91.019  19.315  -25.40700      31.50445 
1 1 1 -16 6  20 f 38.535   15.711  8.9775     16.673  14.474     27.346  5.7257     21.035  47.159  19.756  39.774  17.020  7.384693       26.07646 
1 1 1 -16 6  21 o 78.306   17.760  64.572     23.725  60.046     37.069  67.712     30.877  70.411  24.548  76.777  21.938  -6.366226      32.92239 
1 1 1 -16 6  22 o 31.569   14.290  -5.2999    16.913  -5.2999    16.913  0.0000     0.0000  31.569  14.290  ?       ?       0.000000       14.28984 
1 1 1 -16 6  23 o 70.035   13.625  48.405     16.061  42.523     18.785  64.391     30.968  63.855  16.670  74.586  22.161  -10.73090      27.73023 
1 1 1 -16 6  24 o 108.434  11.696  111.446    21.794  101.269    25.326  140.484    42.781  101.031 14.795  110.826 22.866  -9.795555      27.23554 
1 1 1 -16 6  25 o 77.637   12.987  58.699     16.984  60.540     19.886  53.735     32.650  77.423  15.253  67.634  23.062  9.789398       27.64980 
1 1 1 -16 6  26 o 45.091   14.591  19.944     13.106  20.668     15.504  18.132     24.534  46.120  15.887  47.545  19.177  -1.424767      24.90272 
1 1 1 -16 6  27 o 87.783   12.604  74.429     18.765  71.920     21.928  81.296     36.271  84.319  15.464  81.981  23.882  2.337784       28.45116 
1 1 1 -16 6  28 o 94.771   12.235  86.201     19.774  102.590    23.389  45.125     37.027  102.635 13.368  62.638  24.073  39.99716       27.53538 
1 1 1 -16 6  29 o 51.610   16.891  27.422     17.541  27.422     17.541  0.0000     0.0000  51.610  16.891  ?       ?       0.000000       16.89080 
1 1 1 -16 6  30 o ?        ?       -40.2699   5.1607  -40.2699   5.1607  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 -16 6  31 o 44.258   16.521  17.837     17.147  17.837     17.147  0.0000     0.0000  44.258  16.521  ?       ?       0.000000       16.52075 
1 1 1 -16 6  32 o 150.640  13.223  220.459    34.427  220.459    34.427  0.0000     0.0000  150.640 13.223  ?       ?       0.000000       13.22258 
1 1 1 -16 7  1  o 51.741   19.130  30.427     22.884  30.427     22.884  0.0000     0.0000  51.741  19.130  ?       ?       0.000000       19.13040 
1 1 1 -16 7  2  o 50.054   19.474  27.099     24.461  27.099     24.461  0.0000     0.0000  50.054  19.474  ?       ?       0.000000       19.47403 
1 1 1 -16 7  3  o 33.884   14.846  2.1010     16.786  -6.9534    21.793  15.310     26.322  34.080  15.723  44.966  19.135  -10.88684      24.76615 
1 1 1 -16 7  4  o 28.509   13.196  -7.9649    15.539  -0.7458    18.700  -24.0721   27.932  34.136  15.273  33.861  16.261  0.2753601      22.30928 
1 1 1 -16 7  5  o 56.337   16.748  34.881     17.684  29.203     23.304  42.590     27.155  51.573  19.258  59.271  20.983  -7.698555      28.48082 
1 1 1 -16 7  6  o 42.906   16.105  17.500     16.340  18.927     22.072  15.770     24.305  45.579  18.257  44.763  18.678  0.8161240      26.11900 
1 1 1 -16 7  7  o 110.794  18.641  135.814    34.781  135.814    34.781  0.0000     0.0000  110.794 18.641  ?       ?       0.000000       18.64073 
1 1 1 -16 7  8  o 102.465  18.298  115.282    31.536  115.282    31.536  0.0000     0.0000  102.465 18.298  ?       ?       0.000000       18.29812 
1 1 1 -16 7  9  o 82.356   19.713  77.793     27.970  77.793     27.970  0.0000     0.0000  82.356  19.713  ?       ?       0.000000       19.71290 
1 1 1 -16 7  10 o 45.522   17.117  20.110     18.473  26.956     20.966  -3.6560    39.062  50.458  18.366  44.885  20.827  5.573837       27.76823 
1 1 1 -16 7  11 o 22.674   10.717  -10.6600   11.179  -22.3747   22.942  -7.0126    12.801  30.938  14.826  26.158  12.062  4.780592       19.11267 
1 1 1 -16 7  12 o 32.460   14.042  2.1409     14.620  -3.3955    30.656  3.7707     16.633  41.185  18.871  34.956  15.050  6.228935       24.13743 
1 1 1 -16 7  13 o 27.833   12.711  -5.6554    13.758  2.1362     29.038  -7.9105    15.622  42.077  18.914  28.834  13.306  13.24227       23.12574 
1 1 1 -16 7  14 o 45.971   16.510  21.052     16.869  15.494     33.620  22.922     19.501  48.545  21.147  47.782  17.661  0.7632751      27.55187 
1 1 1 -16 7  15 o 32.780   13.024  7.2081     11.143  10.569     14.533  2.4146     17.356  37.573  14.891  34.894  15.197  2.678497       21.27714 
1 1 1 -16 7  16 o 46.337   14.736  21.868     13.413  12.995     17.865  33.333     20.306  40.960  16.419  55.152  18.179  -14.19143      24.49638 
1 1 1 -16 7  17 o 61.473   15.431  39.631     16.538  43.466     23.754  36.024     23.037  61.634  19.612  56.711  19.372  4.922867       27.56615 
1 1 1 -16 7  18 o 76.243   14.240  58.910     18.260  59.134     26.392  58.704     25.290  71.351  20.246  71.654  19.633  -0.3027344     28.20168 
1 1 1 -16 7  19 o 44.272   15.506  19.316     14.798  24.846     22.234  14.919     19.828  49.580  18.749  43.021  17.279  6.558994       25.49653 
1 1 1 -16 7  20 o 46.841   15.816  22.358     15.355  16.039     22.217  28.136     21.245  44.626  18.159  51.522  18.526  -6.896194      25.94116 
1 1 1 -16 7  21 o 32.263   14.183  0.2542     15.433  11.801     20.031  -16.6140   24.210  41.390  17.087  33.497  15.814  7.893005       23.28187 
1 1 1 -16 7  22 o 71.831   17.033  55.565     21.039  50.409     26.011  65.320     35.779  65.556  20.478  70.855  24.142  -5.299698      31.65771 
1 1 1 -16 7  23 o 65.543   17.185  46.697     19.909  33.364     24.353  73.564     34.570  54.859  19.820  75.947  23.589  -21.08747      30.81041 
1 1 1 -16 7  24 o 49.627   18.570  25.244     21.692  25.244     21.692  0.0000     0.0000  49.627  18.570  ?       ?       0.000000       18.57040 
1 1 1 -16 7  25 o 58.814   19.749  39.649     23.939  39.649     23.939  0.0000     0.0000  58.814  19.749  ?       ?       0.000000       19.74911 
1 1 1 -16 7  26 o 73.224   26.802  77.686     44.741  77.686     44.741  0.0000     0.0000  73.224  26.802  ?       ?       0.000000       26.80186 
1 1 1 -16 7  27 o 68.037   21.178  55.888     27.848  55.888     27.848  0.0000     0.0000  68.037  21.178  ?       ?       0.000000       21.17819 
1 1 1 -16 8  1  o 66.179   16.835  51.230     19.500  30.429     22.302  118.738    40.177  49.724  18.783  88.319  24.952  -38.59494      31.23140 
1 1 1 -16 8  2  o 66.291   17.371  52.050     20.350  52.384     22.834  50.759     44.859  64.547  18.991  56.143  24.443  8.403496       30.95306 
1 1 1 -16 8  3  o 76.476   20.247  74.807     27.462  74.825     34.933  74.779     44.432  70.074  23.855  64.824  25.926  5.249680       35.23112 
1 1 1 -16 8  4  o 56.252   18.867  39.435     21.848  26.798     26.309  67.514     39.218  48.307  19.720  64.411  24.770  -16.10410      31.66108 
1 1 1 -16 8  5  o 65.921   15.881  48.625     18.063  41.882     28.496  53.154     23.355  55.927  21.207  65.343  19.200  -9.416859      28.60729 
1 1 1 -16 8  6  o 40.448   15.958  15.380     16.619  -5.6987    27.956  26.900     20.667  37.334  17.422  48.416  18.125  -11.08210      25.14053 
1 1 1 -16 8  7  o 27.898   12.522  -1.8266    12.675  -19.3870   27.510  2.9055     14.281  33.797  16.206  31.786  13.815  2.011436       21.29520 
1 1 1 -16 8  8  o 35.151   14.885  7.0176     15.794  10.184     31.073  5.9146     18.340  43.511  19.562  36.156  15.685  7.355007       25.07323 
1 1 1 -16 8  9  f 78.023   14.626  64.654     19.193  46.241     28.407  80.119     26.034  59.020  21.394  82.745  18.485  -23.72515      28.27358 
1 1 1 -16 8  10 o 66.144   17.025  49.899     19.778  68.955     38.223  42.931     23.113  67.117  24.741  58.967  19.393  8.150211       31.43600 
1 1 1 -16 8  11 o 27.314   12.314  -2.6619    12.411  21.176     30.545  -7.3757    13.583  47.454  20.414  26.452  12.277  21.00257       23.82094 
1 1 1 -16 8  12 o 32.915   13.864  5.5469     13.585  -3.1765    32.527  7.3901     14.952  40.608  18.898  34.972  14.626  5.636589       23.89646 
1 1 1 -16 8  13 o 33.723   14.145  6.2907     14.048  1.3724     32.055  7.4598     15.629  41.666  19.167  35.474  14.902  6.191486       24.27812 
1 1 1 -16 8  14 o 25.975   11.531  -1.1781    10.444  3.2726     16.920  -3.9176    13.275  34.180  14.942  27.657  12.574  6.522360       19.52929 
1 1 1 -16 8  15 o 35.112   12.717  11.359     10.035  8.7474     13.032  15.164     15.730  34.662  13.978  40.411  15.646  -5.749039      20.98048 
1 1 1 -16 8  16 o 25.770   11.568  -2.3536    10.820  -22.0516   23.125  3.1675     12.243  30.530  14.696  30.418  13.000  0.1119728      19.62035 
1 1 1 -16 8  17 o 38.292   15.084  12.570     14.826  17.470     26.041  10.220     18.034  45.092  19.104  38.448  16.070  6.643391       24.96439 
1 1 1 -16 8  18 o 53.706   15.345  31.493     15.107  32.163     23.002  30.985     20.034  52.336  19.208  51.895  18.049  0.4412193      26.35777 
1 1 1 -16 8  19 o 30.479   13.040  3.1092     12.344  -15.3967   19.000  16.626     16.238  28.959  13.771  41.607  15.953  -12.64783      21.07429 
1 1 1 -15 0  1  o 40.566   18.844  21.338     14.797  21.338     14.797  21.338     14.797  40.566  18.844  40.566  18.844  0.000000       0.000000 
1 1 1 -15 0  2  o 108.619  14.849  109.802    26.670  109.802    26.670  109.802    26.670  108.619 14.849  108.619 14.849  -0.000000      0.000000 
1 1 1 -15 0  3  o 148.427  14.460  199.967    36.658  199.967    36.658  199.967    36.658  148.427 14.460  148.427 14.460  0.000000       0.000000 
1 1 1 -15 0  4  o 172.824  14.684  269.495    43.576  269.495    43.576  269.495    43.576  172.824 14.684  172.824 14.684  -0.000000      0.000000 
1 1 1 -15 0  5  o 53.055   19.411  33.226     16.589  33.226     16.589  33.226     16.589  53.055  19.411  53.055  19.411  0.000000       0.000000 
1 1 1 -15 0  6  o 14.547   10.184  -9.8986    9.6693  -9.8986    9.6693  -9.8986    9.6693  14.547  10.184  14.547  10.184  -0.000000      0.000000 
1 1 1 -15 0  7  o 29.521   17.750  7.9434     16.532  7.9434     16.532  7.9434     16.532  29.521  17.750  29.521  17.750  0.000000       0.000000 
1 1 1 -15 0  8  o 335.095  17.959  1007.25    104.387 1007.25    104.387 1007.25    104.387 335.095 17.959  335.095 17.959  -0.000000      0.000000 
1 1 1 -15 0  9  f 270.523  15.635  654.532    73.287  654.532    73.287  654.532    73.287  270.523 15.635  270.523 15.635  0.000000       0.000000 
1 1 1 -15 0  10 o 155.079  15.214  218.801    40.286  218.801    40.286  218.801    40.286  155.079 15.214  155.079 15.214  0.000000       0.000000 
1 1 1 -15 0  11 o 154.351  14.927  216.534    39.366  216.534    39.366  216.534    39.366  154.351 14.927  154.351 14.927  0.000000       0.000000 
1 1 1 -15 0  12 o 33.579   18.699  13.805     16.271  13.805     16.271  13.805     16.271  33.579  18.699  33.579  18.699  -0.000000      0.000000 
1 1 1 -15 0  13 o 41.276   22.455  21.834     22.866  21.834     22.866  21.834     22.866  41.276  22.455  41.276  22.455  0.000000       0.000000 
1 1 1 -15 0  14 o 38.940   21.810  18.675     22.281  18.675     22.281  18.675     22.281  38.940  21.810  38.940  21.810  0.000000       0.000000 
1 1 1 -15 0  15 o 84.209   27.075  80.848     35.135  80.848     35.135  80.848     35.135  84.209  27.075  84.209  27.075  -0.000000      0.000000 
1 1 1 -15 0  16 o 43.173   23.157  24.320     24.000  24.320     24.000  24.320     24.000  43.173  23.157  43.173  23.157  -0.000000      0.000000 
1 1 1 -15 0  17 o 55.125   26.099  40.570     28.494  40.570     28.494  40.570     28.494  55.125  26.099  55.125  26.099  -0.000000      0.000000 
1 1 1 -15 0  18 o 154.811  23.116  230.093    58.381  230.093    58.381  230.093    58.381  154.811 23.116  154.811 23.116  0.000000       0.000000 
1 1 1 -15 0  19 f 29.639   19.049  1.3682     22.532  1.3682     22.532  1.3682     22.532  29.639  19.049  29.639  19.049  -0.000000      0.000000 
1 1 1 -15 0  20 o 169.514  22.942  273.856    64.400  273.856    64.400  273.856    64.400  169.514 22.942  169.514 22.942  -0.000000      0.000000 
1 1 1 -15 0  21 o 27.176   18.801  -22.9480   30.452  -22.9480   30.452  -22.9480   30.452  27.176  18.801  27.176  18.801  -0.000000      0.000000 
1 1 1 -15 0  22 o 80.106   33.439  84.381     46.792  84.381     46.792  84.381     46.792  80.106  33.439  80.106  33.439  -0.000000      0.000000 
1 1 1 -15 0  23 o 55.980   29.428  43.318     38.112  43.318     38.112  43.318     38.112  55.980  29.428  55.980  29.428  -0.000000      0.000000 
1 1 1 -15 0  24 o 69.907   31.879  66.858     42.267  66.858     42.267  66.858     42.267  69.907  31.879  69.907  31.879  -0.000000      0.000000 
1 1 1 -15 0  25 o 117.229  36.712  162.911    65.941  162.911    65.941  162.911    65.941  117.229 36.712  117.229 36.712  0.000000       0.000000 
1 1 1 -15 0  26 o 66.097   34.240  63.331     51.025  63.331     51.025  63.331     51.025  66.097  34.240  66.097  34.240  -0.000000      0.000000 
1 1 1 -15 0  27 o 121.438  34.134  168.031    62.654  168.031    62.654  168.031    62.654  121.438 34.134  121.438 34.134  -0.000000      0.000000 
1 1 1 -15 0  28 o 44.638   27.857  16.515     44.302  16.515     44.302  16.515     44.302  44.638  27.857  44.638  27.857  0.000000       0.000000 
1 1 1 -15 0  29 o 203.356  22.723  395.589    78.103  395.589    78.103  395.589    78.103  203.356 22.723  203.356 22.723  -0.000000      0.000000 
1 1 1 -15 0  30 o 166.639  22.538  269.590    62.200  269.590    62.200  269.590    62.200  166.639 22.538  166.639 22.538  -0.000000      0.000000 
1 1 1 -15 0  31 o 43.356   22.584  25.762     22.291  25.762     22.291  25.762     22.291  43.356  22.584  43.356  22.584  -0.000000      0.000000 
1 1 1 -15 0  32 o 236.137  23.685  538.640    95.404  538.640    95.404  538.640    95.404  236.137 23.685  236.137 23.685  -0.000000      0.000000 
1 1 1 -15 0  33 o 306.815  26.496  924.456    139.507 924.456    139.507 924.456    139.507 306.815 26.496  306.815 26.496  0.000000       0.000000 
1 1 1 -15 0  34 o 18.122   12.443  -8.2583    12.746  -8.2583    12.746  -8.2583    12.746  18.122  12.443  18.122  12.443  0.000000       0.000000 
1 1 1 -15 0  35 o 48.201   24.075  32.783     24.697  32.783     24.697  32.783     24.697  48.201  24.075  48.201  24.075  -0.000000      0.000000 
1 1 1 -15 0  36 o 119.630  25.057  151.145    46.108  151.145    46.108  151.145    46.108  119.630 25.057  119.630 25.057  0.000000       0.000000 
1 1 1 -15 0  37 o 243.492  24.532  589.901    101.870 589.901    101.870 589.901    101.870 243.492 24.532  243.492 24.532  -0.000000      0.000000 
1 1 1 -15 0  38 o 101.850  26.553  116.745    40.804  116.745    40.804  116.745    40.804  101.850 26.553  101.850 26.553  -0.000000      0.000000 
1 1 1 -15 0  39 o 37.892   21.419  19.332     21.757  19.332     21.757  19.332     21.757  37.892  21.419  37.892  21.419  -0.000000      0.000000 
1 1 1 -15 0  40 o 21.995   14.426  -1.0669    13.866  -1.0669    13.866  -1.0669    13.866  21.995  14.426  21.995  14.426  -0.000000      0.000000 
1 1 1 -15 0  41 o 144.582  23.735  217.506    55.066  217.506    55.066  217.506    55.066  144.582 23.735  144.582 23.735  -0.000000      0.000000 
1 1 1 -15 0  42 o 60.312   25.733  50.673     27.610  50.673     27.610  50.673     27.610  60.312  25.733  60.312  25.733  -0.000000      0.000000 
1 1 1 -15 0  43 o 63.656   26.141  55.866     28.711  55.866     28.711  55.866     28.711  63.656  26.141  63.656  26.141  0.000000       0.000000 
1 1 1 -15 0  44 o 59.727   26.381  51.651     28.927  51.651     28.927  51.651     28.927  59.727  26.381  59.727  26.381  0.000000       0.000000 
1 1 1 -15 0  45 o 159.758  24.248  272.217    63.024  272.217    63.024  272.217    63.024  159.758 24.248  159.758 24.248  0.000000       0.000000 
1 1 1 -15 0  46 o 23.372   15.366  -0.6697    15.869  -0.6697    15.869  -0.6697    15.869  23.372  15.366  23.372  15.366  0.000000       0.000000 
1 1 1 -15 0  47 o 102.241  27.258  126.063    42.046  126.063    42.046  126.063    42.046  102.241 27.258  102.241 27.258  0.000000       0.000000 
1 1 1 -15 0  48 o 58.236   24.001  47.662     24.177  47.662     24.177  47.662     24.177  58.236  24.001  58.236  24.001  0.000000       0.000000 
1 1 1 -15 0  49 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -15 1  1  o 74.495   11.344  50.548     14.290  31.534     20.054  70.162     20.368  58.305  17.943  87.286  13.825  -28.98140      22.65140 
1 1 1 -15 1  2  o 270.075  11.209  650.013    52.858  692.695    75.169  608.264    74.343  275.745 15.677  257.684 16.612  18.06027       22.84104 
1 1 1 -15 1  3  o 184.002  10.198  301.438    32.637  311.752    46.786  291.662    45.549  185.288 14.579  179.132 14.692  6.155960       20.69811 
1 1 1 -15 1  4  o 76.287   11.677  53.022     15.059  43.540     22.124  61.206     20.555  67.670  18.289  81.098  15.070  -13.42888      23.69828 
1 1 1 -15 1  5  o 49.205   13.317  22.454     11.721  37.489     18.227  11.853     15.305  63.048  16.401  41.376  15.576  21.67218       22.61883 
1 1 1 -15 1  6  o 329.741  14.359  979.638    82.674  1046.90    101.427 846.484    142.711 338.196 17.233  292.892 28.256  45.30362       33.09642 
1 1 1 -15 1  7  o 140.077  12.126  176.387    29.365  186.434    36.448  157.801    49.573  143.056 14.806  127.791 23.065  15.26438       27.40844 
1 1 1 -15 1  8  o 152.041  11.802  207.256    31.087  227.650    38.411  168.539    52.925  158.557 14.019  131.767 23.883  26.78963       27.69339 
1 1 1 -15 1  9  o 49.008   15.777  21.364     15.339  0.2489     22.071  41.090     21.332  40.489  17.383  65.902  18.020  -25.41314      25.03794 
1 1 1 -15 1  10 o 122.019  14.655  135.913    30.600  107.650    42.914  165.145    43.644  104.764 23.978  132.655 19.417  -27.89124      30.85403 
1 1 1 -15 1  11 o 96.648   15.267  86.234     24.908  79.923     34.989  92.719     35.466  90.662  22.265  98.089  21.316  -7.427887      30.82399 
1 1 1 -15 1  12 o 64.601   13.823  38.825     15.121  41.147     18.000  33.259     27.872  66.150  15.801  61.696  21.299  4.453510       26.51999 
1 1 1 -15 1  13 o 167.150  11.843  250.258    34.340  232.939    41.892  285.729    59.954  159.935 15.183  174.765 20.008  -14.83073      25.11637 
1 1 1 -15 1  14 o 112.431  12.193  114.071    23.553  93.243     39.177  125.861    29.475  97.624  23.306  117.333 14.710  -19.70982      27.55991 
1 1 1 -15 1  15 o 100.267  12.196  90.985     20.912  73.623     30.772  105.883    28.505  87.457  20.507  107.126 15.706  -19.66908      25.83011 
1 1 1 -15 1  16 o 42.306   14.141  15.319     12.272  0.1665     17.220  30.959     17.495  35.927  15.387  57.605  16.530  -21.67776      22.58360 
1 1 1 -15 1  17 o 135.295  10.643  163.563    24.941  156.867    37.165  169.049    33.640  130.327 16.718  136.312 14.349  -5.985626      22.03132 
1 1 1 -15 1  18 o 59.287   13.587  32.773     13.764  48.813     22.090  22.593     17.598  71.665  17.747  50.806  16.932  20.85915       24.52840 
1 1 1 -15 1  19 o 73.839   13.038  50.211     16.195  49.071     24.201  51.136     21.795  71.658  19.024  73.429  17.286  -1.771065      25.70440 
1 1 1 -15 1  20 f 60.744   14.187  34.523     14.775  47.574     21.185  22.162     20.617  70.790  17.288  51.738  18.287  19.05132       25.16543 
1 1 1 -15 1  21 o 46.557   16.776  17.125     17.431  14.257     19.459  28.775     39.220  45.861  17.492  63.531  24.675  -17.67039      30.24642 
1 1 1 -15 1  22 o 59.822   15.480  33.683     16.293  36.257     23.816  31.418     22.340  62.424  19.610  58.724  19.054  3.699562       27.34276 
1 1 1 -15 1  23 o 174.438  11.152  272.302    33.789  259.433    47.608  285.364    47.963  167.870 16.454  176.508 15.727  -8.637863      22.76136 
1 1 1 -15 1  24 o 239.872  11.312  513.482    47.377  483.869    66.127  544.715    67.911  229.476 16.616  243.950 16.033  -14.47379      23.08980 
1 1 1 -15 1  25 o 68.394   15.532  44.147     18.126  32.514     23.804  60.200     27.962  59.735  19.683  78.767  20.227  -19.03175      28.22264 
1 1 1 -15 1  26 o 85.008   14.459  67.084     20.693  55.355     28.051  81.086     30.649  75.457  20.677  91.664  19.733  -16.20693      28.58250 
1 1 1 -15 1  27 o 94.646   13.694  82.412     21.973  61.654     30.699  104.218    31.464  79.273  21.594  105.000 17.798  -25.72713      27.98281 
1 1 1 -15 1  28 o 87.752   13.154  70.816     19.533  70.075     22.240  73.315     40.854  86.560  15.273  85.311  25.477  1.249542       29.70441 
1 1 1 -15 1  29 o 227.769  13.001  469.328    51.491  462.365    62.475  484.076    90.923  224.018 16.079  222.599 23.760  1.418961       28.68928 
1 1 1 -15 1  30 o 72.960   13.016  49.358     15.974  45.917     22.095  53.126     23.120  69.009  18.109  74.222  18.021  -5.212852      25.54761 
1 1 1 -15 1  31 o 149.964  10.599  201.860    27.576  204.191    38.779  199.476    39.220  148.764 15.140  146.816 15.535  1.947800       21.69286 
1 1 1 -15 1  32 o 49.915   13.543  23.363     12.104  32.385     17.607  15.280     16.666  58.357  16.529  44.469  16.346  13.88802       23.24603 
1 1 1 -15 1  33 o 159.310  10.492  227.878    29.021  224.246    41.232  231.445    40.856  155.608 15.377  158.347 14.954  -2.739243      21.44888 
1 1 1 -15 1  34 o 171.552  10.458  264.254    31.176  271.764    44.289  256.876    43.893  171.565 14.933  166.570 15.261  4.994934       21.35214 
1 1 1 -15 1  35 o 116.750  10.743  123.175    21.654  109.340    30.958  136.427    30.298  107.216 17.112  121.259 14.604  -14.04240      22.49657 
1 1 1 -15 1  36 o 132.842  10.765  159.350    24.754  175.263    35.521  144.323    34.517  137.262 15.069  123.742 16.378  13.51990       22.25541 
1 1 1 -15 1  37 o 68.435   13.476  44.058     15.530  41.891     22.717  45.960     21.279  65.445  18.853  68.647  17.653  -3.202469      25.82759 
1 1 1 -15 1  38 o 81.819   12.141  61.821     16.819  65.856     24.569  58.263     23.071  82.274  17.633  77.339  17.494  4.934929       24.83878 
1 1 1 -15 1  39 o 175.245  10.797  277.405    32.877  263.792    46.760  290.714    46.233  167.441 16.196  176.624 15.138  -9.183121      22.16906 
1 1 1 -15 1  40 o 43.496   13.678  17.337     11.582  26.697     16.946  9.1313     15.867  53.122  16.518  39.354  15.572  13.76793       22.70082 
1 1 1 -15 1  41 o 79.740   13.704  59.837     18.392  82.918     30.242  46.289     23.169  91.247  19.569  68.279  18.826  22.96835       27.15420 
1 1 1 -15 1  42 o 53.075   14.640  26.974     14.008  35.373     22.554  21.700     17.874  60.287  19.102  49.298  17.054  10.98835       25.60694 
1 1 1 -15 1  43 o 71.069   13.142  47.630     15.707  33.399     22.780  60.528     21.687  58.836  19.248  78.985  16.266  -20.14984      25.20082 
1 1 1 -15 1  44 o 117.302  16.576  132.175    33.005  132.175    33.005  0.0000     0.0000  117.302 16.576  ?       ?       0.000000       16.57630 
1 1 1 -15 1  45 o 42.991   16.627  13.039     17.749  13.039     17.749  0.0000     0.0000  42.991  16.627  ?       ?       0.000000       16.62696 
1 1 1 -15 1  46 o 51.714   17.780  24.711     19.415  24.711     19.415  0.0000     0.0000  51.714  17.780  ?       ?       0.000000       17.78045 
1 1 1 -15 1  47 o 43.407   14.248  17.233     12.478  4.6871     18.291  28.153     17.065  38.363  16.119  53.876  16.547  -15.51294      23.10047 
1 1 1 -15 1  48 o 104.337  11.200  100.250    20.084  110.608    28.724  90.343     28.093  107.033 15.849  95.592  17.475  11.44086       23.59169 
1 1 1 -15 1  49 o 65.012   14.482  41.087     16.018  35.401     23.020  46.425     22.304  59.514  19.343  67.576  18.405  -8.061691      26.70040 
1 1 1 -15 2  1  o 48.368   14.230  21.590     12.822  26.385     17.802  16.421     18.483  53.688  16.966  46.544  17.196  7.144360       24.15680 
1 1 1 -15 2  2  o 100.461  16.305  94.291     27.620  94.291     27.620  0.0000     0.0000  100.461 16.305  ?       ?       0.000000       16.30464 
1 1 1 -15 2  3  o 248.273  15.637  563.141    67.440  563.141    67.440  0.0000     0.0000  248.273 15.637  ?       ?       0.000000       15.63688 
1 1 1 -15 2  4  o 150.789  14.782  207.717    38.420  207.717    38.420  0.0000     0.0000  150.789 14.782  ?       ?       0.000000       14.78225 
1 1 1 -15 2  5  o 148.316  21.808  210.802    54.789  210.802    54.789  0.0000     0.0000  148.316 21.808  ?       ?       0.000000       21.80773 
1 1 1 -15 2  6  o 105.659  22.035  108.577    39.336  108.577    39.336  0.0000     0.0000  105.659 22.035  ?       ?       0.000000       22.03528 
1 1 1 -15 2  7  o 32.877   13.276  4.5920     11.773  4.5920     11.773  0.0000     0.0000  32.877  13.276  ?       ?       0.000000       13.27576 
1 1 1 -15 2  8  o 92.451   14.596  78.905     22.780  94.410     33.464  65.518     31.096  99.253  20.001  82.059  21.459  17.19328       29.33497 
1 1 1 -15 2  9  o 46.577   12.617  20.082     10.515  5.1252     15.544  32.701     14.277  37.027  15.142  59.114  14.041  -22.08651      20.64967 
1 1 1 -15 2  10 f 142.563  10.134  181.275    25.063  208.456    37.851  160.053    33.445  151.323 14.503  132.349 14.722  18.97336       20.66580 
1 1 1 -15 2  11 o 112.561  11.265  113.949    21.842  135.208    33.102  97.556     29.068  121.010 16.064  102.200 16.879  18.80992       23.30079 
1 1 1 -15 2  12 f 84.531   11.605  64.853     16.677  89.920     26.544  48.505     21.436  98.347  16.009  71.448  17.355  26.89875       23.61065 
1 1 1 -15 2  13 o 64.679   13.568  38.932     14.834  39.972     23.531  38.246     19.109  65.053  19.315  63.590  16.915  1.462196       25.67467 
1 1 1 -15 2  14 o 76.739   12.166  53.846     15.757  60.795     23.859  48.471     20.985  80.038  17.555  71.478  17.052  8.559738       24.47379 
1 1 1 -15 2  15 o 22.228   9.9621  -3.4876    7.9913  -3.3657    11.322  -3.6086    11.281  27.219  12.049  27.027  11.992  0.1914425      16.99935 
1 1 1 -15 2  16 o 45.104   13.704  18.467     11.746  22.633     17.024  14.681     16.228  50.570  16.644  44.043  16.139  6.526630       23.18364 
1 1 1 -15 2  17 o 56.941   14.045  30.355     13.877  32.303     19.352  28.292     19.911  58.811  17.528  55.832  17.975  2.979179       25.10663 
1 1 1 -15 2  18 o 67.878   15.894  43.505     18.506  41.040     21.331  51.003     37.207  65.697  18.043  73.606  24.622  -7.908348      30.52500 
1 1 1 -15 2  19 o 153.325  10.636  210.138    28.297  208.917    39.470  211.429    40.590  151.090 15.166  151.837 15.529  -0.7460632     21.70585 
1 1 1 -15 2  20 o 197.217  10.369  346.777    35.579  318.744    49.945  375.662    50.698  186.692 15.461  203.380 14.369  -16.68745      21.10672 
1 1 1 -15 2  21 o 126.864  11.351  144.757    24.878  113.051    34.498  179.112    35.911  109.189 18.771  139.814 14.941  -30.62458      23.99193 
1 1 1 -15 2  22 o 119.546  11.238  128.630    23.183  123.330    31.149  135.212    34.712  115.348 15.887  120.384 16.986  -5.035950      23.25780 
1 1 1 -15 2  23 o 75.383   12.975  52.443     16.463  49.489     22.062  56.154     24.729  71.908  17.692  76.369  18.696  -4.461365      25.74011 
1 1 1 -15 2  24 o 114.773  14.816  121.401    28.998  121.168    32.925  122.209    61.228  113.699 17.115  107.143 30.976  6.556244       35.38993 
1 1 1 -15 2  25 o 55.955   15.502  29.477     15.667  26.146     22.710  32.501     21.641  55.010  19.212  59.115  18.709  -4.105572      26.81685 
1 1 1 -15 2  26 o 226.134  13.114  462.783    51.556  439.096    61.362  519.645    95.073  218.230 16.219  230.579 23.964  -12.34888      28.93731 
1 1 1 -15 2  27 o 170.527  11.008  261.011    32.603  279.523    37.924  208.584    63.822  175.842 12.432  143.410 26.462  32.43198       29.23717 
1 1 1 -15 2  28 o 167.908  12.333  255.016    35.904  252.098    43.424  261.323    63.834  165.467 15.200  163.312 23.025  2.154922       27.58951 
1 1 1 -15 2  29 o 106.700  13.571  104.677    24.712  118.081    29.584  73.734     44.949  112.623 15.451  84.878  26.974  27.74471       31.08624 
1 1 1 -15 2  30 o 155.284  13.067  219.634    35.101  236.225    42.458  183.809    62.392  159.822 15.405  132.777 27.803  27.04518       31.78566 
1 1 1 -15 2  31 o 248.095  11.517  553.216    49.893  555.580    70.627  550.862    70.491  244.380 16.651  243.298 16.694  1.082809       23.57866 
1 1 1 -15 2  32 o 186.055  10.489  310.727    33.938  313.630    47.944  307.811    48.047  184.316 15.028  182.463 15.220  1.852768       21.38893 
1 1 1 -15 2  33 o 176.087  12.669  282.207    38.690  279.550    46.808  287.938    68.743  173.440 15.624  169.585 23.877  3.855011       28.53428 
1 1 1 -15 2  34 o 64.115   16.533  39.656     18.628  35.197     21.928  51.217     35.306  60.601  18.781  71.970  23.983  -11.36911      30.46195 
1 1 1 -15 2  35 o 28.033   12.381  -2.8930    11.888  -1.4497    13.368  -8.3504    25.994  30.610  13.334  39.785  17.889  -9.175009      22.31175 
1 1 1 -15 2  36 o 130.964  15.474  160.724    34.701  164.245    47.673  156.755    50.609  128.142 22.105  123.503 24.334  4.639244       32.87545 
1 1 1 -15 2  37 o 52.377   15.672  25.984     15.447  38.979     18.951  0.2530     26.667  63.333  16.844  43.347  18.858  19.98591       25.28585 
1 1 1 -15 2  38 o 142.495  12.843  186.542    31.610  211.749    38.930  137.763    54.154  150.560 15.009  112.443 27.752  38.11728       31.55012 
1 1 1 -15 2  39 o 61.032   14.915  35.827     15.759  37.268     20.834  33.901     24.095  61.719  18.134  59.576  19.811  2.142925       26.85728 
1 1 1 -15 2  40 o 112.783  15.641  120.632    29.972  120.632    29.972  0.0000     0.0000  112.783 15.641  ?       ?       0.000000       15.64095 
1 1 1 -15 2  41 o 147.172  15.374  204.079    38.923  204.079    38.923  0.0000     0.0000  147.172 15.374  ?       ?       0.000000       15.37373 
1 1 1 -15 2  42 o 13.781   6.8085  -13.2367   5.9808  24.830     25.517  -15.4494   6.1522  54.066  20.159  13.381  6.6613  40.68501       21.23118 
1 1 1 -15 2  43 o 102.432  13.327  98.040     23.271  73.030     43.979  107.766    27.425  81.599  26.747  106.472 15.182  -24.87312      30.75521 
1 1 1 -15 2  44 o 37.712   14.408  9.9988     13.215  49.318     30.754  1.0942     14.635  69.225  22.345  33.159  14.193  36.06588       26.47189 
1 1 1 -15 2  45 o 21.334   10.004  -9.0240    9.4049  -27.8109   31.295  -7.1588    9.8607  37.862  17.907  22.892  10.566  14.97072       20.79194 
1 1 1 -15 2  46 o 73.126   15.713  52.266     19.465  23.458     39.217  61.682     22.422  58.067  23.933  79.072  16.760  -21.00510      29.21818 
1 1 1 -15 2  47 o 33.818   13.762  5.3515     12.763  10.466     31.191  4.3230     13.988  49.308  20.900  34.304  14.230  15.00373       25.28454 
1 1 1 -15 2  48 o 129.268  12.996  156.346    28.935  150.165    55.191  158.689    33.980  113.748 27.981  128.525 15.451  -14.77634      31.96346 
1 1 1 -15 3  1  o 86.745   14.217  69.984     20.787  80.390     24.694  44.677     38.509  92.470  15.866  69.788  24.958  22.68217       29.57376 
1 1 1 -15 3  2  o 105.857  12.942  102.484    23.424  101.004    28.021  105.919    42.681  103.898 15.956  102.442 24.239  1.455742       29.01968 
1 1 1 -15 3  3  o 178.736  11.551  287.405    35.856  264.117    43.310  338.147    63.930  169.730 14.761  188.874 19.674  -19.14394      24.59558 
1 1 1 -15 3  4  o 152.948  12.058  211.230    31.941  198.239    38.587  239.507    56.930  146.681 15.291  157.801 21.198  -11.12039      26.13748 
1 1 1 -15 3  5  o 118.786  11.037  127.085    22.630  111.521    31.199  144.365    32.873  108.968 16.948  124.957 15.392  -15.98857      22.89456 
1 1 1 -15 3  6  o 81.473   13.041  61.163     17.926  53.851     25.360  68.465     25.341  74.551  19.323  84.675  17.709  -10.12399      26.21064 
1 1 1 -15 3  7  o 103.985  12.018  98.143     21.419  104.773    30.861  91.982     29.750  105.438 17.368  98.402  17.978  7.035912       24.99680 
1 1 1 -15 3  8  o 113.664  11.889  116.920    23.247  101.966    33.598  130.655    32.199  103.137 19.368  118.641 15.947  -15.50410      25.08857 
1 1 1 -15 3  9  o 48.052   16.528  19.739     16.776  17.109     20.063  25.851     30.586  47.898  17.872  58.130  21.988  -10.23234      28.33522 
1 1 1 -15 3  10 o 66.836   16.844  42.569     19.650  47.550     23.861  32.072     34.638  70.267  18.994  62.876  23.479  7.390991       30.19982 
1 1 1 -15 3  11 o 145.041  12.896  190.624    32.319  200.883    40.068  171.519    54.679  147.615 15.790  131.415 24.737  16.19986       29.34722 
1 1 1 -15 3  12 o 52.770   16.543  25.519     16.958  26.057     20.475  24.344     30.259  54.215  18.264  57.244  21.818  -3.029545      28.45343 
1 1 1 -15 3  13 o 135.920  12.275  166.983    28.817  175.286    35.478  150.881    49.405  138.182 14.942  123.656 23.745  14.52585       28.05517 
1 1 1 -15 3  14 o 166.460  12.049  249.571    34.784  268.247    42.794  213.207    59.714  171.489 14.426  147.299 24.047  24.18971       28.04252 
1 1 1 -15 3  15 o 51.601   15.946  24.458     15.820  15.421     19.499  41.860     27.059  46.476  17.562  66.443  20.908  -19.96758      27.30494 
1 1 1 -15 3  16 o 112.411  12.685  114.926    24.462  127.524    30.189  90.843     41.741  117.567 15.052  94.918  24.882  22.64916       29.08032 
1 1 1 -15 3  17 o 205.104  11.745  377.929    41.887  356.798    51.568  418.906    71.812  197.481 15.069  210.730 19.747  -13.24896      24.83993 
1 1 1 -15 3  18 o 74.217   18.577  53.128     24.018  32.727     39.105  65.485     30.435  64.699  24.769  81.685  21.166  -16.98611      32.58055 
1 1 1 -15 3  19 o 39.120   14.792  10.523     13.840  9.1981     24.087  11.176     16.910  46.003  18.835  41.913  16.224  4.089981       24.85867 
1 1 1 -15 3  20 o 52.005   16.574  24.676     16.961  26.840     27.048  23.273     21.773  57.070  20.847  52.701  18.775  4.369026       28.05499 
1 1 1 -15 3  21 o 79.686   16.427  60.261     22.096  69.940     33.612  52.894     29.324  83.886  22.488  73.539  21.488  10.34660       31.10382 
1 1 1 -15 3  22 o 140.546  15.034  182.027    36.322  191.117    53.418  174.209    49.536  139.657 22.684  133.651 21.992  6.005371       31.59475 
1 1 1 -15 3  23 o 43.114   16.206  13.401     16.556  17.126     27.352  11.247     20.799  51.879  20.471  44.680  17.781  7.198437       27.11505 
1 1 1 -15 3  24 o 80.819   18.063  62.989     24.849  38.375     36.875  83.465     33.632  66.250  24.319  91.890  21.366  -25.63976      32.37186 
1 1 1 -15 3  25 o 87.690   17.686  73.738     26.145  57.606     38.882  87.053     35.324  76.327  25.156  93.511  22.001  -17.18367      33.41952 
1 1 1 -15 3  26 o 195.169  12.599  345.310    42.706  361.833    52.837  314.177    72.528  198.023 15.403  177.921 23.955  20.10292       28.47958 
1 1 1 -15 3  27 o 39.264   15.232  9.7293     14.930  8.4486     20.569  11.155     21.705  42.844  17.457  45.126  18.095  -2.282005      25.14315 
1 1 1 -15 3  28 f 77.462   15.611  56.997     20.385  58.103     27.615  55.673     30.218  76.652  20.308  74.790  21.801  1.861580       29.79466 
1 1 1 -15 3  29 o 86.017   14.033  69.055     20.349  89.657     27.967  45.880     29.663  96.887  17.160  68.546  21.926  28.34135       27.84306 
1 1 1 -15 3  30 o 87.908   19.897  76.295     29.829  76.295     29.829  0.0000     0.0000  87.908  19.897  ?       ?       0.000000       19.89740 
1 1 1 -15 3  31 o 55.597   17.104  29.259     18.225  30.713     33.196  28.631     21.805  60.692  22.919  55.859  18.848  4.832661       29.67340 
1 1 1 -15 3  32 o 91.345   16.518  79.779     25.376  88.282     41.285  74.617     32.170  91.797  25.056  85.991  21.486  5.805695       33.00732 
1 1 1 -15 3  33 o 59.790   15.698  34.399     16.598  39.745     34.905  32.837     18.867  65.483  23.718  58.413  17.284  7.070419       29.34745 
1 1 1 -15 3  34 o 33.575   13.838  4.0374     13.110  37.756     30.090  -3.8638    14.566  63.258  22.113  30.683  13.620  32.57499       25.97115 
1 1 1 -15 3  35 o 119.928  25.867  152.236    52.573  152.236    52.573  0.0000     0.0000  119.928 25.867  ?       ?       0.000000       25.86656 
1 1 1 -15 3  36 o 123.927  25.857  162.880    54.142  162.880    54.142  0.0000     0.0000  123.927 25.857  ?       ?       0.000000       25.85703 
1 1 1 -15 3  37 o 119.748  13.451  133.130    27.637  156.911    33.888  85.900     47.758  129.003 15.346  88.216  27.780  40.78770       31.73644 
1 1 1 -15 3  38 o 45.987   14.279  19.697     12.668  23.077     18.876  16.927     17.089  50.612  17.525  45.401  16.572  5.211441       24.11955 
1 1 1 -15 3  39 o 56.461   13.826  30.551     13.522  20.701     20.173  38.586     18.221  49.392  18.009  62.782  16.431  -13.39016      24.37836 
1 1 1 -15 3  40 o 66.135   13.373  41.575     14.912  28.695     21.994  52.533     20.287  55.308  18.928  73.346  16.267  -18.03803      24.95768 
1 1 1 -15 3  41 o 91.911   11.548  77.954     18.124  75.999     27.177  79.520     24.322  87.365  18.397  90.765  15.928  -3.400505      24.33412 
1 1 1 -15 3  42 o 46.460   13.297  20.496     11.334  25.564     16.815  16.276     15.345  51.782  16.503  43.849  15.747  7.933357       22.80987 
1 1 1 -15 3  43 o 38.166   13.274  12.462     10.835  -2.1015    16.474  23.564     14.384  33.305  14.647  49.658  15.182  -16.35284      21.09590 
1 1 1 -15 3  44 o 53.955   13.333  28.007     12.489  26.062     18.707  29.571     16.775  52.368  17.458  54.984  16.304  -2.616329      23.88682 
1 1 1 -15 3  45 o 62.850   13.367  37.923     14.218  49.947     21.567  28.681     18.909  70.479  17.583  54.306  17.521  16.17205       24.82239 
1 1 1 -15 3  46 o 42.130   13.614  16.403     11.414  27.108     17.785  8.9060     14.883  52.846  16.986  37.980  15.064  14.86565       22.70349 
1 1 1 -15 3  47 o 39.417   13.637  13.633     11.430  4.1507     17.743  20.360     14.944  37.388  15.801  46.686  15.604  -9.298462      22.20695 
1 1 1 -15 4  1  o 108.236  14.161  108.820    26.121  92.460     31.694  143.462    46.120  97.190  19.357  119.316 22.971  -22.12544      30.03909 
1 1 1 -15 4  2  o 38.116   15.089  8.2016     14.906  27.855     20.013  -16.2864   22.339  54.908  18.045  34.014  15.772  20.89420       23.96588 
1 1 1 -15 4  3  o 110.489  12.103  111.421    22.968  73.318     34.481  141.812    30.795  85.029  22.770  123.688 14.536  -38.65852      27.01410 
1 1 1 -15 4  4  o 86.562   11.656  68.560     17.169  48.826     22.560  95.722     26.467  70.810  18.160  100.962 15.510  -30.15173      23.88153 
1 1 1 -15 4  5  o 47.731   14.495  21.084     13.142  24.561     16.424  14.896     21.913  51.553  16.297  47.314  18.425  4.238636       24.59860 
1 1 1 -15 4  6  o 146.837  10.030  193.341    25.561  172.081    36.130  214.648    36.169  136.027 15.488  153.069 13.677  -17.04227      20.66229 
1 1 1 -15 4  7  o 65.793   14.530  40.974     16.247  33.294     21.667  50.837     24.555  59.370  18.713  72.100  19.173  -12.73005      26.79139 
1 1 1 -15 4  8  o 68.244   14.009  43.813     16.133  40.005     22.184  48.088     23.506  64.374  18.655  70.260  18.794  -5.885864      26.48055 
1 1 1 -15 4  9  o 71.888   13.784  48.395     16.672  55.101     22.327  39.942     25.066  75.641  17.283  64.500  20.095  11.14088       26.50495 
1 1 1 -15 4  10 o 32.198   13.116  4.1069     11.607  -7.0478    14.362  25.117     19.710  29.094  13.169  52.992  17.920  -23.89713      22.23811 
1 1 1 -15 4  11 o 105.850  11.180  101.499    20.350  70.530     27.219  140.751    30.643  85.214  18.798  123.449 14.492  -38.23509      23.73556 
1 1 1 -15 4  12 o 60.313   14.871  34.539     15.562  36.915     20.618  31.394     23.722  62.045  17.986  58.519  19.659  3.526211       26.64565 
1 1 1 -15 4  13 o 42.492   16.442  11.774     17.362  10.419     32.273  12.326     20.596  51.536  21.515  45.067  17.770  6.468796       27.90487 
1 1 1 -15 4  14 o 107.599  14.667  107.456    26.837  119.766    46.684  101.380    32.799  108.094 25.199  102.481 19.030  5.612991       31.57764 
1 1 1 -15 4  15 o 104.949  14.633  102.298    26.086  79.228     44.624  114.274    32.152  87.421  26.743  109.769 17.352  -22.34798      31.87894 
1 1 1 -15 4  16 o 56.595   17.053  30.244     18.243  25.270     29.258  33.408     23.335  56.801  21.500  59.771  19.478  -2.969704      29.01101 
1 1 1 -15 4  17 o 113.520  13.857  118.785    26.897  162.316    44.325  93.414     33.839  129.446 20.277  97.493  20.528  31.95251       28.85357 
1 1 1 -15 4  18 f 80.241   16.171  61.316     21.874  55.640     34.214  65.240     28.447  74.778  23.507  81.332  20.138  -6.553360      30.95348 
1 1 1 -15 4  19 o 142.202  10.281  181.634    25.355  143.084    32.960  237.515    39.683  123.850 15.587  160.719 14.290  -36.86937      21.14585 
1 1 1 -15 4  20 o 110.928  11.184  111.521    21.366  84.680     27.301  153.943    34.322  94.118  17.248  128.460 15.623  -34.34252      23.27208 
1 1 1 -15 4  21 o 126.367  11.090  144.394    24.223  111.028    31.749  190.862    37.468  107.937 17.441  143.385 15.197  -35.44787      23.13324 
1 1 1 -15 4  22 o 110.371  11.805  110.956    22.397  102.486    30.604  120.724    32.864  103.516 17.560  112.687 17.252  -9.170143      24.61615 
1 1 1 -15 4  23 o 124.016  11.355  139.459    24.315  140.745    33.197  137.969    35.715  122.485 15.897  120.400 17.501  2.084534       23.64326 
1 1 1 -15 4  24 o 105.175  13.775  102.491    24.688  102.085    31.440  103.143    39.874  102.887 18.165  100.661 23.167  2.226379       29.43919 
1 1 1 -15 4  25 o 56.046   14.633  29.925     14.474  25.480     17.489  39.588     25.787  52.418  16.844  63.977  20.441  -11.55983      26.48696 
1 1 1 -15 4  26 o 106.968  10.320  103.458    19.036  119.696    22.817  66.284     34.524  114.643 11.556  80.439  23.261  34.20412       25.97388 
1 1 1 -15 4  27 o 111.201  10.690  112.073    20.501  119.331    24.409  94.693     37.774  114.047 12.460  96.223  22.827  17.82388       26.00636 
1 1 1 -15 4  28 o 109.991  10.676  109.727    20.246  119.112    24.231  88.027     36.847  113.928 12.380  92.534  22.923  21.39348       26.05283 
1 1 1 -15 4  29 o 186.804  12.699  319.219    41.175  319.219    41.175  0.0000     0.0000  186.804 12.699  ?       ?       0.000000       12.69903 
1 1 1 -15 4  30 o 62.558   16.142  37.956     17.749  37.956     17.749  0.0000     0.0000  62.558  16.142  ?       ?       0.000000       16.14166 
1 1 1 -15 4  31 o 93.508   22.281  89.875     35.861  89.875     35.861  0.0000     0.0000  93.508  22.281  ?       ?       0.000000       22.28069 
1 1 1 -15 4  32 o 113.751  12.945  119.740    25.254  136.356    31.479  89.732     42.303  120.158 15.355  91.326  25.534  28.83196       29.79513 
1 1 1 -15 4  33 o 122.988  11.052  137.827    23.481  162.609    34.534  116.519    32.022  131.242 15.361  109.775 17.278  21.46687       23.11834 
1 1 1 -15 4  34 o 167.087  12.411  256.373    35.950  253.364    66.951  257.592    42.615  154.573 25.709  165.729 14.885  -11.15569      29.70754 
1 1 1 -15 4  35 o 50.266   17.326  22.940     18.440  6.0511     34.607  29.635     21.791  50.088  21.637  55.933  18.842  -5.845631      28.69088 
1 1 1 -15 4  36 o 91.222   12.847  77.711     19.896  85.365     26.221  67.323     30.548  93.769  16.623  80.631  21.358  13.13777       27.06466 
1 1 1 -15 4  37 o 77.853   13.913  57.635     18.219  64.080     24.820  50.106     26.829  80.129  18.159  69.952  20.586  10.17744       27.45090 
1 1 1 -15 4  38 o 73.436   13.291  51.130     16.415  60.957     24.883  43.558     21.842  77.824  18.570  65.879  18.322  11.94501       26.08732 
1 1 1 -15 4  39 o 72.958   12.574  50.145     15.440  54.277     22.903  46.702     20.905  73.546  17.985  68.390  17.449  5.156433       25.05844 
1 1 1 -15 4  40 o 56.104   13.538  30.323     13.110  34.541     19.671  26.954     17.583  58.995  17.692  52.883  16.878  6.111462       24.45177 
1 1 1 -15 4  41 o 83.552   11.331  64.757     16.104  69.359     23.733  60.830     21.924  83.801  16.805  78.501  16.518  5.300247       23.56339 
1 1 1 -15 4  42 o 49.770   14.139  23.922     12.864  17.083     19.882  28.848     16.872  46.422  17.687  54.242  16.412  -7.819679      24.12873 
1 1 1 -15 4  43 o 48.633   13.450  22.800     11.806  25.647     18.373  20.797     15.408  51.754  17.302  47.222  15.844  4.531246       23.46035 
1 1 1 -15 4  44 o 51.004   13.445  25.207     12.143  19.098     18.445  29.881     16.133  46.924  17.204  54.981  15.902  -8.056690      23.42715 
1 1 1 -15 4  45 f 47.466   13.925  21.762     12.293  32.008     19.761  15.294     15.701  56.534  17.877  42.867  15.847  13.66682       23.88903 
1 1 1 -15 5  1  o 261.508  13.930  633.692    63.379  591.711    110.264 654.404    77.451  234.313 27.472  262.084 17.017  -27.77048      32.31581 
1 1 1 -15 5  2  o 181.952  13.004  304.873    41.042  289.224    69.025  313.431    51.045  166.985 24.393  181.913 16.241  -14.92712      29.30544 
1 1 1 -15 5  3  o 132.786  13.197  163.090    30.193  151.198    50.578  169.675    37.634  119.690 25.007  133.434 16.505  -13.74374      29.96309 
1 1 1 -15 5  4  f 120.347  13.667  134.631    28.210  140.396    46.395  131.249    35.532  116.434 23.628  116.279 18.089  0.1552505      29.75743 
1 1 1 -15 5  5  o 95.282   18.180  88.813     29.143  0.0000     0.0000  88.813     29.143  ?       ?       95.282  18.180  0.000000       18.18025 
1 1 1 -15 5  6  o 33.881   14.156  3.1885     13.987  -6.5897    21.258  10.654     18.574  36.202  16.235  42.291  16.812  -6.089294      23.37106 
1 1 1 -15 5  7  o 58.665   16.111  33.265     17.008  41.138     23.194  24.107     25.015  64.603  19.174  53.768  19.977  10.83516       27.69022 
1 1 1 -15 5  8  o 71.408   12.680  47.677     15.230  33.787     19.113  71.843     25.210  59.068  17.373  85.960  17.393  -26.89188      24.58348 
1 1 1 -15 5  9  o 80.911   11.816  60.408     16.201  36.808     20.994  95.156     25.474  61.460  18.243  100.488 14.976  -39.02827      23.60217 
1 1 1 -15 5  10 o 152.984  12.852  214.732    34.013  189.217    58.514  227.754    41.801  134.242 25.902  155.869 15.567  -21.62640      30.21999 
1 1 1 -15 5  11 o 45.585   16.525  17.038     16.949  -9.6488    28.257  32.035     21.183  41.005  18.524  57.943  18.528  -16.93870      26.19990 
1 1 1 -15 5  12 o 125.994  13.069  146.269    28.333  149.057    48.880  144.858    34.770  120.188 24.130  123.502 16.539  -3.314217      29.25421 
1 1 1 -15 5  13 o 62.398   17.355  37.925     19.597  53.048     33.754  30.236     24.069  72.418  23.413  57.303  19.792  15.11519       30.65780 
1 1 1 -15 5  14 o 64.477   17.429  40.610     20.091  28.776     34.622  46.617     24.669  59.918  23.209  68.526  19.618  -8.607777      30.38947 
1 1 1 -15 5  15 o 45.442   15.077  18.542     13.958  38.642     18.156  -10.5022   21.825  63.127  16.344  35.328  16.086  27.79924       22.93172 
1 1 1 -15 5  16 o 34.022   13.537  6.1852     12.054  18.857     14.895  -17.8629   20.519  46.062  15.578  31.640  14.818  14.42179       21.49940 
1 1 1 -15 5  17 o 103.314  11.097  97.292     19.705  81.686     26.251  117.435    29.824  92.036  16.960  111.396 15.774  -19.35983      23.16157 
1 1 1 -15 5  18 o 170.148  10.988  262.092    32.471  239.943    45.219  285.672    46.657  159.278 16.499  174.705 15.454  -15.42732      22.60623 
1 1 1 -15 5  19 f 79.191   13.966  59.127     18.606  48.987     26.198  69.447     26.429  69.946  20.274  83.914  18.533  -13.96761      27.46793 
1 1 1 -15 5  20 o 119.193  11.582  129.747    23.800  140.268    33.159  118.567    34.181  121.660 15.998  110.362 18.385  11.29890       24.37061 
1 1 1 -15 5  21 o 36.886   14.787  7.1618     14.493  8.8988     18.557  4.4455     23.205  41.223  16.660  42.424  18.007  -1.200981      24.53186 
1 1 1 -15 5  22 o 191.537  11.342  333.129    37.763  313.578    51.851  355.214    55.107  181.975 16.498  193.800 16.440  -11.82458      23.29084 
1 1 1 -15 5  23 o 71.559   13.687  48.476     16.478  51.968     18.971  37.748     33.250  73.529  15.276  63.566  23.130  9.963699       27.71871 
1 1 1 -15 5  24 o 95.860   13.582  85.958     22.097  85.958     22.097  0.0000     0.0000  95.860  13.582  ?       ?       0.000000       13.58185 
1 1 1 -15 5  25 o 75.590   14.874  54.717     18.932  54.717     18.932  0.0000     0.0000  75.590  14.874  ?       ?       0.000000       14.87351 
1 1 1 -15 5  26 o 179.936  12.415  297.154    38.766  297.154    38.766  0.0000     0.0000  179.936 12.415  ?       ?       0.000000       12.41470 
1 1 1 -15 5  27 o 109.237  12.000  109.947    22.511  113.710    26.178  99.267     44.104  110.146 13.922  95.336  25.846  14.80929       29.35703 
1 1 1 -15 5  28 o 112.657  16.460  122.102    31.423  122.102    31.423  0.0000     0.0000  112.657 16.460  ?       ?       0.000000       16.46024 
1 1 1 -15 5  29 o 79.937   18.207  63.735     24.845  63.735     24.845  0.0000     0.0000  79.937  18.207  ?       ?       0.000000       18.20732 
1 1 1 -15 5  30 o 90.454   27.168  92.233     46.358  92.233     46.358  0.0000     0.0000  90.454  27.168  ?       ?       0.000000       27.16790 
1 1 1 -15 5  31 o 183.758  24.954  358.701    77.994  358.701    77.994  0.0000     0.0000  183.758 24.954  ?       ?       0.000000       24.95373 
1 1 1 -15 5  32 o 99.253   13.061  92.275     22.085  92.691     28.968  91.699     34.129  96.835  17.788  94.027  21.284  2.807991       27.73806 
1 1 1 -15 5  33 o 149.950  14.682  212.583    37.948  230.415    54.823  196.180    52.581  149.960 21.557  137.117 22.760  12.84305       31.34883 
1 1 1 -15 5  34 o 36.421   13.981  9.2057     12.482  19.954     19.223  1.3711     16.413  48.122  17.575  34.922  14.991  13.19930       23.10034 
1 1 1 -15 5  35 o 65.960   16.565  43.249     19.052  40.114     28.853  45.674     25.370  63.067  21.676  66.634  20.117  -3.567474      29.57265 
1 1 1 -15 5  36 o 127.194  14.284  153.347    31.175  176.253    45.292  132.724    42.976  131.466 20.391  111.793 22.790  19.67291       30.58055 
1 1 1 -15 5  37 o 110.731  14.395  116.871    27.174  139.760    40.269  97.733     36.822  116.566 20.535  95.594  22.444  20.97182       30.42092 
1 1 1 -15 5  38 o 104.025  12.568  101.417    22.366  116.594    39.244  94.116     27.219  104.760 22.147  97.834  16.522  6.925323       27.63109 
1 1 1 -15 5  39 o 152.562  12.224  216.404    32.291  267.624    56.643  191.745    39.302  161.366 20.571  140.274 16.353  21.09163       26.27962 
1 1 1 -15 5  40 o 135.929  14.916  177.463    34.821  170.775    50.014  183.755    48.509  125.221 23.743  132.004 21.808  -6.782959      32.23855 
1 1 1 -15 5  41 o 149.607  14.939  215.236    38.504  218.878    55.427  211.839    53.527  142.499 23.065  140.742 22.542  1.757111       32.25119 
1 1 1 -15 5  42 o 170.761  15.411  282.333    45.454  261.278    64.674  302.885    63.896  152.827 25.108  168.476 22.266  -15.64934      33.55929 
1 1 1 -15 5  43 o 58.397   15.959  34.309     16.736  29.513     24.592  38.446     22.842  55.058  19.913  60.831  19.218  -5.772392      27.67455 
1 1 1 -15 6  1  o 81.302   17.447  66.384     24.026  80.627     30.507  43.123     38.987  87.936  20.283  65.424  24.806  22.51205       32.04221 
1 1 1 -15 6  2  o 53.643   17.209  28.084     18.263  21.587     25.633  34.781     26.026  51.520  19.966  59.275  20.575  -7.754971      28.66959 
1 1 1 -15 6  3  f 92.691   15.407  83.244     24.060  70.914     31.617  100.209    37.087  81.615  21.781  96.985  22.358  -15.36987      31.21391 
1 1 1 -15 6  4  o 125.080  11.816  144.677    25.500  142.063    35.553  147.447    36.595  120.164 17.456  122.303 17.647  -2.138466      24.82172 
1 1 1 -15 6  5  o 119.132  12.132  131.640    24.884  117.905    34.324  146.856    36.127  108.443 18.809  122.326 17.405  -13.88278      25.62647 
1 1 1 -15 6  6  o 55.246   15.678  29.876     15.826  20.709     19.877  45.752     26.157  48.875  17.868  66.674  20.488  -17.79823      27.18490 
1 1 1 -15 6  7  o 94.409   12.895  83.614     20.701  77.476     27.968  91.051     30.787  87.565  18.850  94.862  19.245  -7.297226      26.93861 
1 1 1 -15 6  8  f 163.240  11.086  243.636    31.411  197.726    43.195  295.160    45.761  142.064 17.805  176.557 14.985  -34.49242      23.27159 
1 1 1 -15 6  9  o 164.474  12.948  251.203    36.883  185.978    61.001  288.788    46.306  128.092 28.051  174.336 15.369  -46.24370      31.98561 
1 1 1 -15 6  10 o 191.990  16.910  355.476    56.108  0.0000     0.0000  355.476    56.108  ?       ?       191.990 16.910  0.000000       16.90991 
1 1 1 -15 6  11 o 63.206   20.575  40.224     26.040  0.0000     0.0000  40.224     26.040  ?       ?       63.206  20.575  0.000000       20.57463 
1 1 1 -15 6  12 o 47.739   18.874  15.925     23.294  0.0000     0.0000  15.925     23.294  ?       ?       47.739  18.874  0.000000       18.87444 
1 1 1 -15 6  13 o 94.041   13.778  83.581     21.953  64.850     31.844  100.545    30.305  78.345  22.242  100.897 17.855  -22.55174      28.52219 
1 1 1 -15 6  14 o 87.188   14.021  72.216     20.622  52.674     30.068  89.573     28.337  71.046  21.989  95.210  17.697  -24.16471      28.22536 
1 1 1 -15 6  15 o 54.846   17.449  29.161     18.804  32.222     27.858  26.598     25.487  58.581  21.193  54.681  20.195  3.899975       29.27425 
1 1 1 -15 6  16 o 66.151   16.771  43.390     19.398  33.253     31.762  49.420     24.498  60.076  22.473  69.623  19.419  -9.546738      29.70044 
1 1 1 -15 6  17 o 93.829   14.974  84.340     23.707  65.626     39.703  94.709     29.554  77.470  25.414  97.751  17.978  -20.28086      31.13037 
1 1 1 -15 6  18 o 41.524   15.861  12.708     16.014  38.001     26.445  -1.9352    20.122  61.770  20.757  36.747  16.174  25.02344       26.31461 
1 1 1 -15 6  19 o 89.169   19.351  80.690     29.263  63.957     37.626  106.306    46.553  76.700  24.712  96.979  26.664  -20.27858      36.35405 
1 1 1 -15 6  20 o 36.185   15.819  -0.8573    18.964  27.363     24.259  -45.2045   30.410  54.669  19.777  33.491  16.294  21.17871       25.62496 
1 1 1 -15 6  21 o 47.018   19.389  12.002     25.756  12.002     25.756  0.0000     0.0000  47.018  19.389  ?       ?       0.000000       19.38927 
1 1 1 -15 6  22 o 39.271   14.742  11.760     13.691  21.432     16.539  -9.2983    24.404  48.216  16.414  37.505  17.051  10.71159       23.66764 
1 1 1 -15 6  23 o 73.225   21.663  56.551     29.640  56.551     29.640  0.0000     0.0000  73.225  21.663  ?       ?       0.000000       21.66267 
1 1 1 -15 6  24 o 52.763   19.111  25.296     22.662  25.296     22.662  0.0000     0.0000  52.763  19.111  ?       ?       0.000000       19.11094 
1 1 1 -15 6  25 o 117.267  23.200  146.635    45.822  146.635    45.822  0.0000     0.0000  117.267 23.200  ?       ?       0.000000       23.20042 
1 1 1 -15 6  26 f 102.512  16.480  102.821    28.498  102.821    28.498  0.0000     0.0000  102.512 16.480  ?       ?       0.000000       16.47954 
1 1 1 -15 6  27 o 33.480   13.913  4.0026     13.409  4.0026     13.409  0.0000     0.0000  33.480  13.913  ?       ?       0.000000       13.91345 
1 1 1 -15 6  28 o 141.944  11.256  185.489    27.669  179.853    32.453  200.491    52.947  138.124 13.634  137.474 22.860  0.6500244      26.61734 
1 1 1 -15 6  29 o 90.875   12.559  77.698     19.396  78.497     22.987  75.724     36.138  89.929  15.180  82.724  23.763  7.205429       28.19760 
1 1 1 -15 6  30 o 66.914   13.739  43.280     15.515  53.623     18.264  16.477     29.402  74.249  14.608  50.511  20.760  23.73806       25.38442 
1 1 1 -15 6  31 o 28.797   12.218  1.3885     10.675  4.0291     12.613  -5.2809    20.045  32.648  13.525  35.031  15.733  -2.383003      20.74755 
1 1 1 -15 6  32 o 62.066   12.704  36.952     13.304  50.590     21.919  28.998     16.740  70.388  17.818  54.110  16.342  16.27827       24.17692 
1 1 1 -15 6  33 o 16.075   7.6112  -6.4896    5.6842  6.2401     13.891  -9.0498    6.2296  35.240  14.351  15.870  7.6363  19.36999       16.25643 
1 1 1 -15 6  34 o 25.854   10.968  0.9633     8.6024  -15.2191   15.439  8.2490     10.359  26.676  12.604  33.718  12.786  -7.041265      17.95431 
1 1 1 -15 6  35 o 31.629   13.409  2.2093     12.841  -12.5875   17.211  20.792     19.287  29.473  13.726  48.147  17.601  -18.67331      22.32042 
1 1 1 -15 6  36 o 98.322   13.920  92.951     23.229  97.531     29.385  85.323     37.928  98.039  17.823  86.425  24.182  11.61374       30.04050 
1 1 1 -15 6  37 f 125.797  10.762  146.314    23.411  150.349    34.941  143.027    31.536  122.964 16.707  121.101 15.252  1.862740       22.62166 
1 1 1 -15 6  38 o 66.320   12.502  42.268     13.947  67.590     22.710  26.936     17.672  81.920  16.448  52.068  16.949  29.85290       23.61842 
1 1 1 -15 6  39 o 104.884  11.092  102.608    20.005  107.441    30.969  99.147     26.205  102.417 17.974  100.204 15.476  2.213135       23.71828 
1 1 1 -15 6  40 o 26.579   11.458  0.1811     9.6655  9.0090     15.417  -5.5364    12.407  37.947  15.238  26.801  12.174  11.14537       19.50387 
1 1 1 -15 7  1  o 76.121   13.295  56.327     17.028  69.245     22.917  40.402     25.444  82.493  16.487  61.250  20.357  21.24228       26.19603 
1 1 1 -15 7  2  o 94.347   11.714  84.041     18.882  73.575     25.660  96.401     27.884  84.080  18.020  97.377  17.019  -13.29671      24.78652 
1 1 1 -15 7  3  o 75.118   14.838  55.978     18.772  32.997     29.553  71.521     24.304  57.394  21.636  83.530  17.236  -26.13659      27.66221 
1 1 1 -15 7  4  o 41.792   16.412  12.873     17.503  2.6832     19.936  47.143     36.560  37.947  16.407  65.282  24.172  -27.33540      29.21405 
1 1 1 -15 7  5  o 44.451   16.136  17.618     16.168  22.641     27.229  14.883     20.094  51.671  20.414  44.467  17.546  7.203640       26.91796 
1 1 1 -15 7  6  o 32.442   13.809  2.2870     13.714  -4.1983    19.242  8.9826     19.551  34.462  15.451  40.876  16.878  -6.414207      22.88261 
1 1 1 -15 7  7  o 13.158   6.6537  -25.0008   7.4628  -35.1155   21.257  -23.5789   7.9702  27.354  13.377  14.249  7.1639  13.10443       15.17420 
1 1 1 -15 7  8  o 71.348   18.720  53.413     23.613  55.118     37.634  52.306     30.326  69.683  24.699  68.886  22.184  0.7970123      33.19893 
1 1 1 -15 7  9  o 37.277   15.459  6.3028     16.503  12.086     30.677  3.9475     19.577  48.656  20.680  38.421  16.430  10.23494       26.41231 
1 1 1 -15 7  10 o 61.720   17.307  39.042     19.405  32.142     35.263  42.040     23.241  58.729  23.222  63.295  19.287  -4.565819      30.18662 
1 1 1 -15 7  11 o 191.012  12.981  343.864    43.038  322.417    53.364  383.771    72.793  180.092 17.179  188.765 22.531  -8.672424      28.33248 
1 1 1 -15 7  12 o 77.156   15.793  59.304     20.560  32.550     26.336  101.053    32.899  57.190  20.619  98.160  19.877  -40.96977      28.63961 
1 1 1 -15 7  13 o 43.385   17.324  12.936     19.805  3.0346     22.535  46.541     41.515  40.240  17.421  66.079  25.465  -25.83889      30.85351 
1 1 1 -15 7  14 o 104.315  15.616  106.792    27.568  83.922     32.569  164.583    51.773  88.051  21.395  119.955 25.504  -31.90433      33.28936 
1 1 1 -15 7  15 o 171.323  13.538  278.389    40.168  236.801    48.458  369.711    71.808  152.827 18.539  185.243 22.674  -32.41653      29.28834 
1 1 1 -15 7  16 o 173.684  11.380  279.492    34.322  257.315    48.905  301.016    48.181  160.214 17.782  175.616 15.884  -15.40149      23.84357 
1 1 1 -15 7  17 o 155.356  16.742  238.633    44.697  0.0000     0.0000  238.633    44.697  ?       ?       155.356 16.742  0.000000       16.74199 
1 1 1 -15 7  18 o 93.068   18.835  89.533     29.557  0.0000     0.0000  89.533     29.557  ?       ?       93.068  18.835  0.000000       18.83490 
1 1 1 -15 7  19 o 77.587   17.321  61.352     22.871  18.203     44.965  76.411     26.564  56.585  24.553  86.212  18.217  -29.62765      30.57297 
1 1 1 -15 7  20 o 40.702   15.219  13.454     14.564  13.454     14.564  0.0000     0.0000  40.702  15.219  ?       ?       0.000000       15.21910 
1 1 1 -15 7  21 o 50.131   16.621  24.473     16.964  24.473     16.964  0.0000     0.0000  50.131  16.621  ?       ?       0.000000       16.62051 
1 1 1 -15 7  22 o 18.319   8.8549  -13.0744   8.6086  -13.0744   8.6086  0.0000     0.0000  18.319  8.8549  ?       ?       0.000000       8.854950 
1 1 1 -15 7  23 o 60.046   17.560  37.031     19.575  37.031     19.575  0.0000     0.0000  60.046  17.560  ?       ?       0.000000       17.55967 
1 1 1 -15 7  24 f 60.278   13.545  35.543     13.909  37.437     16.709  31.270     25.099  61.019  15.617  56.076  20.139  4.942703       25.48467 
1 1 1 -15 7  25 f 52.451   13.966  27.114     13.018  29.069     15.180  21.679     25.313  53.937  15.372  50.624  19.778  3.313553       25.04944 
1 1 1 -15 7  26 o 35.486   13.696  8.9529     12.023  2.9157     14.111  24.940     22.963  33.198  14.064  51.682  19.153  -18.48475      23.76170 
1 1 1 -15 7  27 o 40.388   14.451  14.265     12.913  3.5422     14.976  45.335     25.493  34.340  14.515  64.991  20.268  -30.65129      24.92981 
1 1 1 -15 7  28 f 74.509   15.974  55.917     20.158  73.821     25.819  27.970     32.258  84.455  18.056  55.723  22.154  28.73188       28.58000 
1 1 1 -15 7  29 o 76.333   16.297  58.995     21.061  48.076     27.178  75.405     33.320  66.371  20.962  81.674  22.600  -15.30286      30.82486 
1 1 1 -15 7  30 o 41.578   14.441  15.772     12.822  13.870     15.178  20.512     23.959  41.139  15.506  49.233  19.240  -8.094383      24.71100 
1 1 1 -15 7  31 o 90.359   12.253  77.673     18.833  80.929     22.160  69.206     35.735  90.876  14.449  76.787  24.005  14.08866       28.01824 
1 1 1 -15 7  32 o 47.379   13.170  22.021     11.288  37.059     20.313  15.303     13.578  59.496  18.010  41.410  14.818  18.08546       23.32234 
1 1 1 -15 7  33 o 36.159   13.193  10.906     10.829  0.6451     19.809  15.279     12.932  36.761  16.117  41.081  14.487  -4.319973      21.67090 
1 1 1 -15 7  34 o 84.071   14.857  70.241     21.012  75.048     27.456  63.446     32.643  83.698  19.196  73.866  22.919  9.832230       29.89565 
1 1 1 -15 7  35 o 26.707   11.983  -3.5438    11.595  -31.9611   15.835  29.305     17.025  22.431  11.081  53.468  16.546  -31.03695      19.91364 
1 1 1 -15 7  36 o 23.959   11.494  -17.2596   13.877  -17.2596   13.877  0.0000     0.0000  23.959  11.494  ?       ?       0.000000       11.49426 
1 1 1 -15 8  1  f 55.311   16.149  32.515     16.569  45.824     22.687  17.302     24.255  63.700  18.977  46.069  18.886  17.63104       26.77284 
1 1 1 -15 8  2  o 38.271   14.474  12.405     13.252  14.062     19.022  10.843     18.472  42.254  16.941  40.133  16.470  2.120647       23.62724 
1 1 1 -15 8  3  o 44.981   15.663  19.946     15.089  34.819     21.768  6.1900     20.934  56.306  18.833  39.315  16.906  16.99015       25.30770 
1 1 1 -15 8  4  o 95.974   13.802  91.368     22.464  96.323     29.164  84.141     35.225  94.502  18.336  82.725  23.360  11.77735       29.69709 
1 1 1 -15 8  5  o 34.995   13.565  9.1710     11.835  9.8661     15.686  8.2523     18.032  38.055  15.339  38.615  16.098  -0.5599594     22.23591 
1 1 1 -15 8  6  o 60.142   14.889  37.158     15.552  45.073     20.519  26.474     23.839  64.576  17.681  51.348  19.414  13.22798       26.25867 
1 1 1 -15 8  7  f 78.290   26.489  82.199     43.069  82.199     43.069  0.0000     0.0000  78.290  26.489  ?       ?       0.000000       26.48874 
1 1 1 -15 8  8  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -15 8  9  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -15 8  10 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -15 8  11 o 147.954  15.943  221.176    40.535  239.733    61.237  206.704    54.079  139.812 26.043  132.075 24.347  7.737076       35.65150 
1 1 1 -15 8  12 o 109.272  17.138  123.592    31.623  121.634    49.617  124.932    41.038  95.146  27.994  103.143 23.332  -7.996391      36.44241 
1 1 1 -15 8  13 o 60.899   18.046  39.854     20.557  51.518     38.360  35.155     24.348  65.434  24.654  57.101  19.896  8.332462       31.68049 
1 1 1 -15 8  14 o 34.665   14.224  6.3989     13.775  36.790     35.049  0.8472     14.980  58.737  23.174  32.494  14.136  26.24347       27.14543 
1 1 1 -15 8  15 o 61.473   14.776  38.390     15.663  51.627     25.502  30.371     19.848  67.947  20.091  53.903  17.983  14.04452       26.96389 
1 1 1 -15 8  16 o 61.596   15.073  38.725     16.079  53.772     26.694  30.158     20.143  69.006  20.591  53.765  18.115  15.24112       27.42526 
1 1 1 -15 8  17 o 114.936  11.968  125.826    23.666  143.375    35.685  112.047    31.620  117.021 18.045  103.085 18.234  13.93651       25.65359 
1 1 1 -15 8  18 o 134.070  18.057  187.762    41.196  187.762    41.196  0.0000     0.0000  134.070 18.057  ?       ?       0.000000       18.05700 
1 1 1 -15 8  19 o 102.225  18.472  110.707    31.758  110.707    31.758  0.0000     0.0000  102.225 18.472  ?       ?       0.000000       18.47192 
1 1 1 -15 8  20 o 96.856   17.464  97.813     28.448  97.813     28.448  0.0000     0.0000  96.856  17.464  ?       ?       0.000000       17.46354 
1 1 1 -15 8  21 o 33.837   14.461  3.0537     15.152  3.0537     15.152  0.0000     0.0000  33.837  14.461  ?       ?       0.000000       14.46136 
1 1 1 -15 8  22 o 50.747   14.674  26.080     13.739  33.097     19.488  19.146     19.373  55.943  17.759  46.054  17.480  9.889050       24.91882 
1 1 1 -15 8  23 o 48.870   14.934  24.110     13.921  23.707     20.033  24.485     19.358  49.199  17.945  49.598  17.700  -0.3988953     25.20540 
1 1 1 -15 8  24 o 81.011   16.120  67.504     21.999  98.534     36.843  50.311     27.425  91.304  23.094  66.327  21.069  24.97739       31.26081 
1 1 1 -15 8  25 o 119.311  12.004  135.902    24.669  149.343    31.527  114.677    39.617  122.228 15.093  98.396  23.401  23.83169       27.84581 
1 1 1 -15 8  26 o 34.544   12.909  9.6277     10.476  17.633     16.818  4.5529     13.391  44.011  16.375  33.098  13.842  10.91340       21.44130 
1 1 1 -15 8  27 o 60.963   14.651  37.882     15.402  38.608     21.426  37.106     22.154  59.533  18.584  58.321  18.977  1.211521       26.56141 
1 1 1 -15 8  28 o 44.878   14.655  19.937     13.207  14.782     19.646  24.188     17.840  43.280  17.263  48.942  17.032  -5.662151      24.25065 
1 1 1 -15 8  29 o 27.467   11.686  1.5768     9.8136  -47.3903   35.473  5.6351     10.212  35.140  17.205  30.905  12.405  4.235254       21.21029 
1 1 1 -15 8  30 o 51.565   17.241  27.804     18.245  30.548     39.416  27.055     20.582  56.083  23.618  51.153  18.251  4.930099       29.84816 
1 1 1 -15 8  31 o 63.721   25.418  50.767     42.592  50.767     42.592  0.0000     0.0000  63.721  25.418  ?       ?       0.000000       25.41770 
1 1 1 -15 9  1  o 113.790  12.970  131.032    25.308  117.662    35.081  145.544    36.547  97.315  21.242  111.171 19.541  -13.85516      28.86264 
1 1 1 -15 9  2  o 121.205  14.490  152.943    30.058  135.314    35.415  198.358    56.842  107.247 19.636  113.398 28.687  -6.151581      34.76330 
1 1 1 -15 9  3  o 74.224   18.366  63.928     23.673  68.248     27.624  51.984     45.931  74.086  20.605  59.506  25.299  14.57999       32.62843 
1 1 1 -15 9  4  o 87.466   17.522  85.472     25.828  78.462     29.654  107.503    52.569  79.404  21.048  77.861  28.954  1.542252       35.79567 
1 1 1 -15 9  5  o 50.897   15.596  28.127     15.170  26.323     23.259  29.463     20.013  49.223  19.034  51.131  18.023  -1.908028      26.21337 
1 1 1 -15 9  6  o 64.596   17.460  47.262     20.162  66.531     35.491  38.080     24.499  68.893  24.020  56.313  19.931  12.57995       31.21239 
1 1 1 -15 9  7  o 62.757   17.416  44.507     19.758  21.272     38.635  52.736     22.992  50.264  22.253  67.117  18.845  -16.85359      29.16040 
1 1 1 -15 9  8  o 48.601   16.716  25.457     17.162  2.6773     34.783  32.786     19.730  43.872  20.101  53.819  17.928  -9.947678      26.93489 
1 1 1 -15 9  9  o 45.031   16.256  20.743     16.377  -17.0888   34.969  31.373     18.536  39.292  18.683  53.061  17.363  -13.76908      25.50581 
1 1 1 -15 9  10 o 83.609   12.521  69.480     17.717  59.956     24.308  80.272     25.876  71.807  19.067  84.769  18.036  -12.96265      26.24652 
1 1 1 -15 9  11 o 27.409   11.642  2.0953     9.7113  6.2475     14.017  -1.7376    13.467  34.054  14.195  29.142  13.006  4.912642       19.25210 
1 1 1 -15 9  12 o 53.281   15.494  30.433     15.279  34.435     23.974  27.696     19.828  54.636  19.676  50.409  17.921  4.227581       26.61390 
1 1 1 -15 9  13 o 43.389   15.228  18.904     14.277  9.6052     26.877  22.559     16.851  43.074  18.832  46.602  16.526  -3.528454      25.05472 
1 1 1 -15 9  14 o 40.059   14.471  15.257     12.982  32.703     25.182  8.9430     15.150  53.644  20.021  36.559  14.949  17.08527       24.98668 
1 1 1 -15 9  15 o 101.939  13.155  103.695    22.869  64.762     39.789  122.900    27.946  67.629  25.182  109.042 15.081  -41.41291      29.35234 
1 1 1 -15 9  16 o 59.762   16.125  38.701     17.215  36.835     24.395  40.553     24.296  56.228  19.890  58.629  19.895  -2.400856      28.13230 
1 1 1 -15 9  17 o 21.194   9.6104  -3.3232    7.6881  3.8913     11.575  -9.0190    10.285  30.569  12.832  22.081  10.389  8.488161       16.51016 
1 1 1 -15 9  18 o 40.833   15.566  15.106     15.405  15.106     15.405  0.0000     0.0000  40.833  15.566  ?       ?       0.000000       15.56631 
1 1 1 -15 9  19 o 37.195   14.800  10.587     14.408  10.587     14.408  0.0000     0.0000  37.195  14.800  ?       ?       0.000000       14.80015 
1 1 1 -15 9  20 o 26.078   11.732  -2.9993    11.198  -2.9993    11.198  0.0000     0.0000  26.078  11.732  ?       ?       0.000000       11.73192 
1 1 1 -15 9  21 o 94.509   14.334  91.318     22.912  83.607     30.046  102.034    35.417  83.777  20.668  90.537  22.502  -6.760452      30.55308 
1 1 1 -15 9  22 o 120.549  11.017  139.582    22.933  134.870    26.965  151.900    43.596  115.840 13.590  110.057 23.407  5.783279       27.06580 
1 1 1 -15 9  23 f 85.121   12.482  71.832     18.000  54.330     21.430  113.757    33.168  69.717  17.602  99.336  19.817  -29.61942      26.50581 
1 1 1 -15 9  24 o 54.602   14.726  31.536     14.361  20.479     16.987  59.243     26.889  45.010  16.508  69.716  20.635  -24.70686      26.42573 
1 1 1 -15 10 1  o 39.708   16.610  15.279     19.288  35.604     28.567  -1.7513    26.148  49.896  20.480  35.971  16.808  13.92510       26.49349 
1 1 1 -15 10 2  o 79.937   17.715  78.151     24.076  65.515     43.381  83.775     28.943  57.982  24.617  77.801  20.873  -19.81859      32.27471 
1 1 1 -15 10 3  o 67.055   16.634  53.639     19.382  35.661     28.449  69.211     26.477  50.423  20.536  71.183  20.306  -20.76006      28.88067 
1 1 1 -15 10 4  o 81.234   15.169  73.904     20.725  54.732     30.012  91.380     28.653  59.708  21.937  83.823  19.878  -24.11472      29.60345 
1 1 1 -15 10 5  o 38.147   15.234  13.873     15.315  -12.1474   23.076  34.357     20.475  31.907  15.173  51.861  18.235  -19.95479      23.72214 
1 1 1 -15 10 6  o 61.463   16.458  44.680     18.015  41.234     27.236  47.361     24.021  54.047  20.675  59.114  19.783  -5.067268      28.61554 
1 1 1 -15 10 7  o 30.570   13.284  3.1719     13.201  24.928     20.858  -11.3665   17.051  46.022  17.961  27.817  13.174  18.20482       22.27480 
1 1 1 -15 10 8  f 27.945   12.693  -2.5955    13.484  -33.2333   27.465  7.1335     15.477  30.374  14.926  34.362  14.649  -3.987169      20.91325 
1 1 1 -15 10 9  o 83.103   17.117  80.633     24.010  45.223     45.864  94.001     28.181  53.491  23.927  87.247  19.034  -33.75602      30.57471 
1 1 1 -14 0  1  o 43.298   18.798  23.602     14.697  23.602     14.697  23.602     14.697  43.298  18.798  43.298  18.798  -0.000000      0.000000 
1 1 1 -14 0  2  o 220.341  15.332  433.060    58.330  433.060    58.330  433.060    58.330  220.341 15.332  220.341 15.332  -0.000000      0.000000 
1 1 1 -14 0  3  o 257.616  16.051  590.747    71.559  590.747    71.559  590.747    71.559  257.616 16.051  257.616 16.051  -0.000000      0.000000 
1 1 1 -14 0  4  o 400.039  28.675  1454.03    197.932 1454.03    197.932 1454.03    197.932 400.039 28.675  400.039 28.675  0.000000       0.000000 
1 1 1 -14 0  5  o 245.247  23.193  547.657    97.278  547.657    97.278  547.657    97.278  245.247 23.193  245.247 23.193  0.000000       0.000000 
1 1 1 -14 0  6  o 12.780   9.3073  -27.2429   12.062  -27.2429   12.062  -27.2429   12.062  12.780  9.3073  12.780  9.3073  0.000000       0.000000 
1 1 1 -14 0  7  o 87.633   27.822  85.836     37.467  85.836     37.467  85.836     37.467  87.633  27.822  87.633  27.822  -0.000000      0.000000 
1 1 1 -14 0  8  o 101.404  26.483  107.745    40.517  107.745    40.517  107.745    40.517  101.404 26.483  101.404 26.483  0.000000       0.000000 
1 1 1 -14 0  9  o 213.255  22.249  416.015    80.782  416.015    80.782  416.015    80.782  213.255 22.249  213.255 22.249  -0.000000      0.000000 
1 1 1 -14 0  10 o 20.522   13.598  -3.2758    12.822  -3.2758    12.822  -3.2758    12.822  20.522  13.598  20.522  13.598  0.000000       0.000000 
1 1 1 -14 0  11 o 21.374   14.049  -2.3055    13.254  -2.3055    13.254  -2.3055    13.254  21.374  14.049  21.374  14.049  -0.000000      0.000000 
1 1 1 -14 0  12 o 40.237   19.330  21.006     15.689  21.006     15.689  21.006     15.689  40.237  19.330  40.237  19.330  -0.000000      0.000000 
1 1 1 -14 0  13 o 180.233  14.903  291.550    46.161  291.550    46.161  291.550    46.161  180.233 14.903  180.233 14.903  -0.000000      0.000000 
1 1 1 -14 0  14 o 89.188   26.618  87.031     36.092  87.031     36.092  87.031     36.092  89.188  26.618  89.188  26.618  -0.000000      0.000000 
1 1 1 -14 0  15 o 173.343  14.824  270.139    44.111  270.139    44.111  270.139    44.111  173.343 14.824  173.343 14.824  0.000000       0.000000 
1 1 1 -14 0  16 o 136.830  16.434  171.993    37.763  171.993    37.763  171.993    37.763  136.830 16.434  136.830 16.434  -0.000000      0.000000 
1 1 1 -14 0  17 o 251.527  25.521  583.034    109.438 583.034    109.438 583.034    109.438 251.527 25.521  251.527 25.521  -0.000000      0.000000 
1 1 1 -14 0  18 o 136.483  15.890  170.733    36.528  170.733    36.528  170.733    36.528  136.483 15.890  136.483 15.890  0.000000       0.000000 
1 1 1 -14 0  19 o 146.096  15.644  194.538    38.751  194.538    38.751  194.538    38.751  146.096 15.644  146.096 15.644  -0.000000      0.000000 
1 1 1 -14 0  20 o 26.801   17.324  -0.2467    18.995  -0.2467    18.995  -0.2467    18.995  26.801  17.324  26.801  17.324  0.000000       0.000000 
1 1 1 -14 0  21 o 178.919  16.110  289.526    49.391  289.526    49.391  289.526    49.391  178.919 16.110  178.919 16.110  0.000000       0.000000 
1 1 1 -14 0  22 o 94.465   20.764  89.574     29.973  89.574     29.973  89.574     29.973  94.465  20.764  94.465  20.764  0.000000       0.000000 
1 1 1 -14 0  23 o 52.094   27.434  35.841     33.165  35.841     33.165  35.841     33.165  52.094  27.434  52.094  27.434  -0.000000      0.000000 
1 1 1 -14 0  24 o 108.053  21.751  115.545    36.374  115.545    36.374  115.545    36.374  108.053 21.751  108.053 21.751  -0.000000      0.000000 
1 1 1 -14 0  25 o 275.123  16.467  678.041    78.457  678.041    78.457  678.041    78.457  275.123 16.467  275.123 16.467  0.000000       0.000000 
1 1 1 -14 0  26 o 114.512  18.951  125.584    34.771  125.584    34.771  125.584    34.771  114.512 18.951  114.512 18.951  0.000000       0.000000 
1 1 1 -14 0  27 f 34.797   21.125  10.594     23.866  10.594     23.866  10.594     23.866  34.797  21.125  34.797  21.125  -0.000000      0.000000 
1 1 1 -14 0  28 o 65.843   19.183  47.024     19.147  47.024     19.147  47.024     19.147  65.843  19.183  65.843  19.183  0.000000       0.000000 
1 1 1 -14 0  29 o 18.460   12.231  -2.5444    10.369  -2.5444    10.369  -2.5444    10.369  18.460  12.231  18.460  12.231  -0.000000      0.000000 
1 1 1 -14 0  30 o 229.094  15.851  473.371    62.708  473.371    62.708  473.371    62.708  229.094 15.851  229.094 15.851  0.000000       0.000000 
1 1 1 -14 0  31 o 124.871  16.096  145.383    33.492  145.383    33.492  145.383    33.492  124.871 16.096  124.871 16.096  0.000000       0.000000 
1 1 1 -14 0  32 o 221.654  15.685  444.267    60.008  444.267    60.008  444.267    60.008  221.654 15.685  221.654 15.685  0.000000       0.000000 
1 1 1 -14 0  33 o 170.226  15.115  264.064    44.111  264.064    44.111  264.064    44.111  170.226 15.115  170.226 15.115  0.000000       0.000000 
1 1 1 -14 0  34 o 60.589   21.707  43.613     20.987  43.613     20.987  43.613     20.987  60.589  21.707  60.589  21.707  0.000000       0.000000 
1 1 1 -14 0  35 o 340.354  18.858  1058.00    111.284 1058.00    111.284 1058.00    111.284 340.354 18.858  340.354 18.858  0.000000       0.000000 
1 1 1 -14 0  36 o 190.154  15.652  330.510    51.158  330.510    51.158  330.510    51.158  190.154 15.652  190.154 15.652  -0.000000      0.000000 
1 1 1 -14 0  37 o 209.565  15.905  401.429    57.430  401.429    57.430  401.429    57.430  209.565 15.905  209.565 15.905  -0.000000      0.000000 
1 1 1 -14 0  38 o 186.276  15.601  318.507    49.922  318.507    49.922  318.507    49.922  186.276 15.601  186.276 15.601  0.000000       0.000000 
1 1 1 -14 0  39 o 22.904   14.532  2.0216     12.612  2.0216     12.612  2.0216     12.612  22.904  14.532  22.904  14.532  0.000000       0.000000 
1 1 1 -14 0  40 f 225.432  15.457  465.390    60.186  465.390    60.186  465.390    60.186  225.432 15.457  225.432 15.457  -0.000000      0.000000 
1 1 1 -14 0  41 o 59.343   22.812  44.156     22.371  44.156     22.371  44.156     22.371  59.343  22.812  59.343  22.812  0.000000       0.000000 
1 1 1 -14 0  42 o 28.905   17.119  9.0784     14.939  9.0784     14.939  9.0784     14.939  28.905  17.119  28.905  17.119  0.000000       0.000000 
1 1 1 -14 0  43 o 263.997  17.037  647.995    77.783  647.995    77.783  647.995    77.783  263.997 17.037  263.997 17.037  -0.000000      0.000000 
1 1 1 -14 0  44 o 36.094   19.624  17.689     17.455  17.689     17.455  17.689     17.455  36.094  19.624  36.094  19.624  -0.000000      0.000000 
1 1 1 -14 0  45 o 46.000   21.714  29.419     19.708  29.419     19.708  29.419     19.708  46.000  21.714  46.000  21.714  -0.000000      0.000000 
1 1 1 -14 0  46 o 158.904  23.706  259.213    61.464  259.213    61.464  259.213    61.464  158.904 23.706  158.904 23.706  0.000000       0.000000 
1 1 1 -14 0  47 o 80.957   27.305  82.094     34.512  82.094     34.512  82.094     34.512  80.957  27.305  80.957  27.305  -0.000000      0.000000 
1 1 1 -14 0  48 o 61.930   26.452  53.894     29.169  53.894     29.169  53.894     29.169  61.930  26.452  61.930  26.452  0.000000       0.000000 
1 1 1 -14 0  49 o 28.830   17.909  7.2358     18.101  7.2358     18.101  7.2358     18.101  28.830  17.909  28.830  17.909  0.000000       0.000000 
1 1 1 -14 0  50 o 51.942   25.139  40.611     26.586  40.611     26.586  40.611     26.586  51.942  25.139  51.942  25.139  -0.000000      0.000000 
1 1 1 -14 0  51 o 23.802   15.740  -1.5824    17.042  -1.5824    17.042  -1.5824    17.042  23.802  15.740  23.802  15.740  0.000000       0.000000 
1 1 1 -14 0  52 o 37.066   21.277  19.758     21.924  19.758     21.924  19.758     21.924  37.066  21.277  37.066  21.277  0.000000       0.000000 
1 1 1 -14 0  53 o 70.035   28.199  71.312     33.602  71.312     33.602  71.312     33.602  70.035  28.199  70.035  28.199  0.000000       0.000000 
1 1 1 -14 0  54 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -14 1  1  o 214.078  11.982  406.385    44.607  371.613    54.015  480.955    79.102  203.685 15.299  229.966 19.896  -26.28142      25.09810 
1 1 1 -14 1  2  o 91.414   14.196  75.879     21.924  75.096     26.045  77.785     40.617  90.204  17.163  90.508  24.914  -0.3038101     30.25369 
1 1 1 -14 1  3  o 229.118  12.510  465.722    49.859  448.772    60.408  501.948    88.312  223.928 15.546  234.182 21.850  -10.25336      26.81604 
1 1 1 -14 1  4  o 228.284  12.742  462.530    50.585  439.022    61.284  512.789    89.609  221.359 15.963  236.747 21.926  -15.38763      27.12138 
1 1 1 -14 1  5  o 230.792  12.363  472.192    49.638  460.643    60.465  496.061    86.928  227.015 15.344  233.032 21.610  -6.017197      26.50338 
1 1 1 -14 1  6  o 110.698  10.409  108.856    19.882  104.803    29.121  112.394    27.212  107.342 16.028  111.675 14.282  -4.333160      21.46844 
1 1 1 -14 1  7  o 180.072  12.033  287.639    37.617  315.703    46.192  232.379    64.818  188.132 14.166  157.853 24.296  30.27843       28.12416 
1 1 1 -14 1  8  o 150.278  11.806  200.557    30.729  204.244    37.807  193.380    52.747  151.019 14.516  144.764 21.523  6.254852       25.96055 
1 1 1 -14 1  9  o 218.673  10.708  421.300    40.885  454.547    57.928  388.299    57.713  225.756 14.777  208.198 15.998  17.55782       21.77858 
1 1 1 -14 1  10 o 213.551  10.638  401.736    39.668  396.684    55.980  406.832    56.219  210.669 15.323  213.405 15.187  -2.735626      21.57401 
1 1 1 -14 1  11 o 101.857  12.358  92.973     21.529  71.081     36.479  104.673    26.668  86.852  23.489  107.663 14.560  -20.81046      27.63530 
1 1 1 -14 1  12 o 217.335  12.214  418.570    46.164  344.254    79.137  456.903    56.836  192.897 24.016  226.445 14.450  -33.54802      28.02794 
1 1 1 -14 1  13 o 77.210   16.720  55.176     21.888  0.0000     0.0000  55.176     21.888  ?       ?       77.210  16.720  0.000000       16.71954 
1 1 1 -14 1  14 o 180.973  14.812  292.837    46.396  294.423    65.312  291.222    65.921  179.269 21.281  178.142 21.637  1.127548       30.34861 
1 1 1 -14 1  15 o 28.931   12.123  1.2387     10.302  5.0615     15.850  -1.5574    13.556  37.637  15.329  31.258  13.522  6.378490       20.44074 
1 1 1 -14 1  16 o 62.258   14.519  35.778     15.493  43.987     25.132  30.746     19.676  69.010  19.815  58.367  17.737  10.64285       26.59421 
1 1 1 -14 1  17 o 83.021   13.141  62.474     18.415  71.076     30.550  57.564     23.079  87.048  20.447  78.758  17.259  8.289772       26.75764 
1 1 1 -14 1  18 o 67.073   14.232  41.415     16.152  56.648     27.425  33.325     19.986  77.782  20.062  60.416  17.764  17.36559       26.79656 
1 1 1 -14 1  19 o 193.137  15.345  334.267    51.323  311.100    70.581  360.260    74.762  183.601 22.487  197.961 22.001  -14.35948      31.45967 
1 1 1 -14 1  20 o 186.447  12.080  308.646    39.114  289.638    66.222  318.830    48.473  177.266 21.858  188.722 14.829  -11.45601      26.41361 
1 1 1 -14 1  21 o 183.505  12.516  299.483    39.864  308.362    66.715  294.552    49.716  183.150 21.257  180.972 15.894  2.177856       26.54233 
1 1 1 -14 1  22 o 61.676   17.641  35.030     19.955  50.349     35.751  28.098     24.050  74.558  24.095  57.799  19.793  16.75926       31.18213 
1 1 1 -14 1  23 o 199.177  13.041  353.393    45.105  357.008    77.231  351.522    55.566  196.207 22.978  197.568 16.252  -1.360718      28.14454 
1 1 1 -14 1  24 o 32.076   14.182  -4.6239    15.642  11.349     26.512  -13.1537   19.374  49.593  19.958  32.690  14.987  16.90292       24.95895 
1 1 1 -14 1  25 o 203.209  15.970  371.874    56.207  423.101    83.019  328.519    76.374  213.706 22.591  187.426 23.880  26.27979       32.87250 
1 1 1 -14 1  26 o 135.860  27.413  178.749    62.786  178.749    62.786  0.0000     0.0000  135.860 27.413  ?       ?       0.000000       27.41261 
1 1 1 -14 1  27 o 219.264  13.704  429.783    52.204  467.430    64.146  355.944    89.836  227.644 16.245  192.785 27.464  34.85873       31.90885 
1 1 1 -14 1  28 o 66.108   17.138  40.851     19.947  35.512     24.622  51.048     34.025  62.717  19.968  74.276  23.454  -11.55849      30.80271 
1 1 1 -14 1  29 o 74.766   13.547  51.279     17.035  55.029     28.642  49.227     21.190  76.235  20.895  72.498  17.029  3.736557       26.95560 
1 1 1 -14 1  30 o 142.844  11.672  182.175    28.858  183.081    49.488  181.709    35.522  139.923 20.896  141.800 14.553  -1.877258      25.46446 
1 1 1 -14 1  31 o 37.741   13.530  10.892     11.324  -16.7668   19.592  24.766     13.877  31.577  14.686  51.867  14.668  -20.28939      20.75587 
1 1 1 -14 1  32 o 216.306  12.857  418.547    48.341  513.987    83.563  370.543    59.264  235.584 20.519  201.666 16.989  33.91852       26.63951 
1 1 1 -14 1  33 o 307.172  14.300  846.366    76.696  895.269    132.612 821.788    94.014  306.884 24.965  299.853 18.040  7.031097       30.80092 
1 1 1 -14 1  34 o 168.626  12.381  254.832    36.200  315.983    62.462  223.905    44.421  184.434 19.701  156.424 16.513  28.00967       25.70629 
1 1 1 -14 1  35 o 187.272  12.241  314.103    39.807  319.095    68.511  311.559    48.911  183.939 21.753  185.230 15.258  -1.291687      26.57068 
1 1 1 -14 1  36 o 113.012  12.338  115.333    23.952  153.949    41.240  95.677     29.422  128.164 19.004  101.185 17.273  26.97902       25.68148 
1 1 1 -14 1  37 o 99.497   12.148  89.661     20.667  51.348     34.644  110.827    25.750  73.621  23.711  110.283 13.665  -36.66183      27.36720 
1 1 1 -14 1  38 o 196.757  15.069  352.515    51.376  371.815    72.742  333.305    72.572  198.117 21.366  186.525 22.754  11.59128       31.21347 
1 1 1 -14 1  39 o 82.087   15.239  62.925     21.038  52.556     29.696  73.373     29.808  73.714  21.648  87.138  20.013  -13.42374      29.48142 
1 1 1 -14 1  40 o 113.139  14.581  117.720    28.135  114.924    40.130  120.422    39.456  108.529 21.932  111.609 21.018  -3.080002      30.37651 
1 1 1 -14 1  41 o 40.958   14.053  14.099     12.125  32.947     19.159  1.5039     15.661  59.108  17.396  34.920  14.806  24.18794       22.84423 
1 1 1 -14 1  42 o 81.652   13.455  61.691     18.515  61.955     30.696  61.540     23.212  79.266  21.593  80.324  17.076  -1.057549      27.52905 
1 1 1 -14 1  43 o 102.282  12.487  95.519     21.838  75.737     36.077  106.959    27.435  86.814  23.309  107.309 15.056  -20.49490      27.74890 
1 1 1 -14 1  44 o 98.428   13.220  89.132     22.145  90.392     28.219  87.111     35.731  97.505  17.204  93.393  22.232  4.112434       28.11068 
1 1 1 -14 1  45 o 166.980  10.405  250.230    30.186  247.967    42.941  252.440    42.443  163.749 15.192  165.430 14.852  -1.681168      21.24536 
1 1 1 -14 1  46 o 34.798   12.997  8.6232     10.616  -6.0471    14.761  24.344     15.280  29.974  13.479  51.099  15.652  -21.12464      20.65546 
1 1 1 -14 1  47 o 50.661   14.859  24.125     13.999  -1.5774    22.959  39.336     17.661  39.890  17.423  63.991  15.882  -24.10077      23.57528 
1 1 1 -14 1  48 o 59.069   13.544  33.036     13.671  25.197     20.350  39.483     18.456  52.983  18.205  63.923  16.442  -10.93953      24.53037 
1 1 1 -14 1  49 o 77.536   18.060  58.918     23.996  58.918     23.996  0.0000     0.0000  77.536  18.060  ?       ?       0.000000       18.06019 
1 1 1 -14 1  50 o 72.801   18.006  52.147     22.761  52.147     22.761  0.0000     0.0000  72.801  18.006  ?       ?       0.000000       18.00571 
1 1 1 -14 1  51 o 112.684  16.373  121.121    31.272  121.121    31.272  0.0000     0.0000  112.684 16.373  ?       ?       0.000000       16.37325 
1 1 1 -14 1  52 o 114.976  11.021  120.522    21.854  124.542    31.590  116.833    30.266  114.155 16.312  110.607 16.147  3.547684       22.95279 
1 1 1 -14 1  53 o 106.522  11.500  104.152    21.051  99.818     30.200  108.247    29.358  101.015 17.771  106.105 16.373  -5.090530      24.16389 
1 1 1 -14 1  54 o 66.003   13.722  41.634     15.299  42.516     21.806  40.779     21.469  65.207  18.368  63.932  18.302  1.274578       25.92968 
1 1 1 -14 2  1  o 111.120  12.991  110.941    24.730  106.012    28.786  124.826    48.316  107.881 15.746  114.272 24.917  -6.390549      29.47555 
1 1 1 -14 2  2  o 100.141  10.865  89.517     18.693  103.929    27.133  76.495     25.791  107.037 14.924  91.063  16.841  15.97389       22.50166 
1 1 1 -14 2  3  o 140.060  12.545  175.057    30.355  184.849    36.690  153.814    54.043  143.340 14.876  127.148 25.233  16.19112       29.29176 
1 1 1 -14 2  4  o 176.978  10.844  277.354    33.349  291.619    47.046  262.947    47.280  180.330 15.080  170.875 16.034  9.454910       22.01123 
1 1 1 -14 2  5  f 43.861   14.889  15.940     13.609  14.534     18.541  17.581     20.037  45.927  17.172  48.918  17.931  -2.990627      24.82774 
1 1 1 -14 2  6  o 92.223   12.562  76.611     19.703  71.951     27.210  81.746     28.566  87.958  18.313  93.952  18.070  -5.993858      25.72685 
1 1 1 -14 2  7  f 153.677  10.448  209.086    27.869  197.279    38.504  222.079    40.390  148.130 15.098  157.312 14.881  -9.182281      21.19901 
1 1 1 -14 2  8  o 107.634  11.448  103.407    21.185  116.534    31.212  92.192     28.848  113.166 16.263  100.197 17.103  12.96948       23.60078 
1 1 1 -14 2  9  o 172.552  10.601  263.430    31.786  281.564    46.505  247.531    43.545  177.216 15.176  166.082 15.184  11.13437       21.46756 
1 1 1 -14 2  10 o 163.106  11.006  235.722    31.162  240.551    45.523  231.463    42.746  163.413 16.167  160.485 15.445  2.927658       22.35868 
1 1 1 -14 2  11 o 114.315  10.455  116.099    20.638  145.733    32.602  96.282     26.660  127.149 14.972  102.929 15.299  24.21986       21.40598 
1 1 1 -14 2  12 o 321.298  11.694  911.951    65.602  1028.33    93.915  801.053    91.676  339.525 15.842  298.411 17.673  41.11368       23.73399 
1 1 1 -14 2  13 o 244.008  10.817  525.110    46.085  564.561    66.450  488.551    63.968  251.339 15.213  233.538 15.780  17.80101       21.91904 
1 1 1 -14 2  14 o 155.215  9.8307  212.947    26.505  225.734    37.856  200.651    37.123  158.909 13.780  149.593 14.390  9.316238       19.92380 
1 1 1 -14 2  15 o 190.985  10.104  322.202    33.575  330.777    47.754  313.818    47.215  192.402 14.317  187.307 14.551  5.095245       20.41329 
1 1 1 -14 2  16 o 151.071  12.356  203.265    32.309  240.750    59.066  187.261    38.595  161.519 21.476  144.109 15.586  17.40985       26.53596 
1 1 1 -14 2  17 o 288.297  13.428  737.529    67.593  718.648    117.052 746.976    82.792  278.631 24.303  288.518 16.503  -9.887024      29.37647 
1 1 1 -14 2  18 o 504.024  17.719  2282.27    155.939 2336.94    270.082 2254.94    190.990 494.529 31.441  497.212 21.999  -2.683228      38.37355 
1 1 1 -14 2  19 o 331.285  14.218  976.410    82.242  875.244    141.789 1027.70    100.960 305.476 26.856  338.038 17.161  -32.56146      31.87063 
1 1 1 -14 2  20 o 87.493   14.189  69.758     20.934  40.629     35.271  85.598     26.010  69.065  23.953  96.657  15.969  -27.59203      28.78810 
1 1 1 -14 2  21 o 61.024   15.950  34.537     17.185  60.769     27.920  18.538     21.804  80.335  19.986  50.513  18.674  29.82167       27.35237 
1 1 1 -14 2  22 o 63.872   16.033  37.931     17.853  26.663     29.447  44.480     22.450  59.215  21.733  69.001  18.325  -9.785641      28.42767 
1 1 1 -14 2  23 o 126.760  12.406  143.796    27.106  157.071    44.881  136.174    34.009  129.991 20.449  122.228 16.345  7.763046       26.17846 
1 1 1 -14 2  24 o 54.770   16.150  27.389     16.498  29.636     28.220  26.222     20.335  60.279  21.385  54.956  18.196  5.323540       28.07880 
1 1 1 -14 2  25 o 91.574   17.084  77.760     26.311  72.356     37.236  83.148     37.184  86.922  23.825  93.179  22.995  -6.256874      33.11196 
1 1 1 -14 2  26 o 37.082   13.939  9.2072     12.248  10.922     13.816  2.9116     26.473  39.747  14.831  45.556  19.279  -5.808987      24.32375 
1 1 1 -14 2  27 o 124.354  11.157  138.006    23.967  139.831    27.730  132.617    47.648  124.724 12.921  117.544 24.027  7.180267       27.28057 
1 1 1 -14 2  28 o 90.177   12.791  73.732     19.575  73.122     22.562  75.593     39.371  89.196  15.020  88.448  24.599  0.7476730      28.82224 
1 1 1 -14 2  29 o 67.103   14.942  41.905     17.057  42.744     19.905  39.585     33.093  67.497  16.921  67.332  23.210  0.1640930      28.72367 
1 1 1 -14 2  30 o 105.370  13.827  100.864    24.825  116.451    30.159  68.111     43.718  112.732 15.752  84.321  26.582  28.41108       30.89839 
1 1 1 -14 2  31 o 76.904   11.631  53.676     15.130  62.731     21.915  45.429     20.914  82.127  15.857  69.439  17.310  12.68767       23.47526 
1 1 1 -14 2  32 o 132.549  10.288  156.527    23.625  197.206    33.869  117.982    32.969  147.957 13.251  112.802 17.290  35.15541       21.78368 
1 1 1 -14 2  33 o 75.005   11.542  51.147     14.632  48.662     21.489  53.295     19.979  71.751  17.344  75.518  15.665  -3.766998      23.37103 
1 1 1 -14 2  34 o 49.628   13.626  22.803     12.168  48.266     18.730  4.2076     16.006  71.813  15.399  36.971  15.269  34.84191       21.68617 
1 1 1 -14 2  35 o 46.097   13.713  19.389     11.852  37.126     18.225  6.3903     15.602  62.755  16.437  37.906  15.291  24.84927       22.44990 
1 1 1 -14 2  36 o 183.494  12.552  302.777    39.973  318.179    49.189  272.828    68.593  186.873 15.207  167.810 24.102  19.06328       28.49804 
1 1 1 -14 2  37 o 106.703  12.419  103.255    22.705  94.403     27.898  120.620    39.076  100.573 16.456  112.084 20.730  -11.51141      26.46740 
1 1 1 -14 2  38 o 88.058   13.482  71.310     20.070  84.935     24.566  43.964     34.803  95.658  15.218  69.200  23.805  26.45823       28.25361 
1 1 1 -14 2  39 o 35.343   13.987  6.6239     12.804  6.9458     15.471  5.9242     22.809  38.016  15.265  43.522  18.122  -5.506195      23.69417 
1 1 1 -14 2  40 o 101.946  12.575  94.768     21.910  80.043     27.091  122.613    37.252  91.760  17.548  113.123 19.568  -21.36377      26.28387 
1 1 1 -14 2  41 o 141.716  12.612  182.225    30.882  170.103    37.890  206.212    53.299  135.156 16.391  145.883 21.575  -10.72762      27.09527 
1 1 1 -14 2  42 o 38.239   14.388  10.266     13.055  5.6730     15.712  20.511     23.464  37.322  15.238  51.618  19.314  -14.29556      24.60180 
1 1 1 -14 2  43 o 113.556  13.060  118.118    25.423  120.655    30.938  112.843    44.613  113.474 16.064  105.115 24.722  8.358643       29.48230 
1 1 1 -14 2  44 o 32.322   13.473  2.7028     12.628  14.641     14.617  -32.4123   25.069  42.699  15.365  32.244  15.464  10.45497       21.79949 
1 1 1 -14 2  45 o 121.501  15.731  138.244    32.591  138.244    32.591  0.0000     0.0000  121.501 15.731  ?       ?       0.000000       15.73145 
1 1 1 -14 2  46 o 106.383  15.951  106.809    28.716  106.809    28.716  0.0000     0.0000  106.383 15.951  ?       ?       0.000000       15.95083 
1 1 1 -14 2  47 o 89.821   14.875  76.015     22.513  88.234     26.947  47.779     40.964  96.085  16.666  70.733  25.683  25.35184       30.61618 
1 1 1 -14 2  48 o 119.560  13.686  132.393    28.057  120.606    33.557  159.769    51.142  111.927 17.764  124.464 24.405  -12.53690      30.18547 
1 1 1 -14 2  49 o 90.946   14.047  77.576     21.587  76.120     25.695  81.070     39.803  88.618  17.226  87.581  24.868  1.036858       30.25124 
1 1 1 -14 2  50 o 64.487   16.018  40.385     17.955  -6.4583    36.823  54.995     20.565  47.684  21.377  75.392  16.111  -27.70804      26.76809 
1 1 1 -14 2  51 f ?        ?       -36.3769   4.2718  -7.0467    21.568  -37.5744   4.3581  36.214  16.288  ?       ?       0.000000       16.28770 
1 1 1 -14 2  52 o 168.001  12.673  259.957    36.902  274.127    68.073  254.060    43.915  161.403 24.960  163.980 15.522  -2.577698      29.39296 
1 1 1 -14 2  53 o 28.530   12.443  -1.2402    11.672  -16.9060   28.990  1.7909     12.752  38.984  18.037  31.593  13.376  7.391413       22.45585 
1 1 1 -14 3  1  o 331.478  18.335  997.007    105.705 1008.83    150.649 985.538    148.357 326.722 26.639  323.000 26.540  3.722137       37.60345 
1 1 1 -14 3  2  o 268.021  11.941  636.686    55.882  551.600    68.164  811.104    97.593  247.598 15.850  298.696 18.808  -51.09848      24.59621 
1 1 1 -14 3  3  o 179.496  11.659  286.437    36.343  260.151    44.071  342.305    64.250  170.014 15.000  193.432 19.280  -23.41809      24.42750 
1 1 1 -14 3  4  o 49.357   15.915  21.329     15.603  23.484     17.781  14.115     32.537  51.950  17.006  54.707  22.077  -2.757027      27.86790 
1 1 1 -14 3  5  o 210.439  11.871  393.374    43.439  383.780    53.476  411.985    74.481  206.830 14.908  211.934 20.379  -5.103394      25.24917 
1 1 1 -14 3  6  o 49.269   16.125  21.025     15.987  37.865     19.401  -14.6056   28.220  63.813  17.076  40.614  18.414  23.19964       25.11344 
1 1 1 -14 3  7  o 119.647  10.910  127.479    22.542  134.001    31.714  120.819    32.048  121.591 15.275  115.032 16.422  6.558739       22.42761 
1 1 1 -14 3  8  o 204.993  10.125  370.621    36.242  337.822    50.981  404.130    51.531  193.943 15.176  212.665 13.955  -18.72188      20.61640 
1 1 1 -14 3  9  o 151.061  10.714  202.470    28.075  214.009    39.777  191.014    39.633  154.185 14.963  145.310 15.879  8.875259       21.81847 
1 1 1 -14 3  10 o 149.675  12.736  200.089    32.968  227.303    56.833  186.286    40.474  156.624 21.337  143.295 16.476  13.32880       26.95802 
1 1 1 -14 3  11 o 30.207   13.438  -5.0957    14.256  -14.8766   23.914  0.2966     17.757  36.657  16.748  36.776  15.685  -0.1189880     22.94535 
1 1 1 -14 3  12 f 98.220   14.269  87.597     23.755  111.375    42.740  76.968     28.576  108.201 23.310  90.803  18.647  17.39835       29.85123 
1 1 1 -14 3  13 o 185.338  12.538  305.920    40.337  321.212    71.537  298.791    48.842  186.038 22.478  182.214 15.499  3.823883       27.30360 
1 1 1 -14 3  14 o 229.774  12.809  469.921    51.187  453.098    89.586  478.076    62.371  220.660 23.618  230.722 15.573  -10.06184      28.29045 
1 1 1 -14 3  15 o 329.905  14.108  969.439    81.265  1058.21    141.224 925.491    99.365  337.594 24.117  319.988 17.855  17.60669       30.00720 
1 1 1 -14 3  16 o 224.510  12.518  448.461    48.876  396.136    83.792  475.446    60.174  206.016 23.727  230.240 15.051  -24.22459      28.09822 
1 1 1 -14 3  17 o 120.305  10.145  128.589    21.111  131.975    28.565  124.513    31.339  121.029 13.762  116.955 15.747  4.073212       20.91273 
1 1 1 -14 3  18 o 111.220  10.311  110.109    19.795  107.970    27.152  112.536    28.921  109.076 14.625  111.205 15.300  -2.128426      21.16519 
1 1 1 -14 3  19 o 83.122   11.282  62.214     15.952  50.470     21.835  75.656     23.361  73.448  17.309  90.812  15.275  -17.36456      23.08541 
1 1 1 -14 3  20 o 19.532   9.0640  -6.4444    7.4008  -11.2790   10.329  -1.3445    10.609  22.032  10.379  27.563  11.943  -5.531584      15.82292 
1 1 1 -14 3  21 o 48.648   14.905  21.262     13.856  -0.4056    20.842  38.425     18.549  39.329  16.889  64.172  16.471  -24.84324      23.59086 
1 1 1 -14 3  22 o 168.848  10.811  253.223    31.707  242.806    43.513  265.014    46.295  163.896 15.385  171.182 15.662  -7.285782      21.95483 
1 1 1 -14 3  23 o 74.728   13.871  51.349     17.432  38.609     24.191  65.111     25.142  64.695  19.669  83.347  17.816  -18.65290      26.53845 
1 1 1 -14 3  24 o 60.839   15.969  34.509     17.179  27.725     22.005  45.097     27.490  56.494  18.935  69.526  20.930  -13.03252      28.22366 
1 1 1 -14 3  25 o 195.062  10.826  338.000    36.728  350.121    42.546  302.546    72.764  198.026 12.367  178.690 23.922  19.33633       26.92915 
1 1 1 -14 3  26 o 104.185  11.235  97.347     20.116  101.521    23.753  86.763     37.826  105.926 13.123  94.755  23.077  11.17110       26.54776 
1 1 1 -14 3  27 o 135.262  10.287  162.840    24.114  181.683    28.269  112.503    46.204  142.602 11.450  107.250 25.115  35.35226       27.60184 
1 1 1 -14 3  28 o 328.620  14.937  971.244    85.706  971.244    85.706  0.0000     0.0000  328.620 14.937  ?       ?       0.000000       14.93674 
1 1 1 -14 3  29 o 102.822  18.020  98.916     31.173  98.916     31.173  0.0000     0.0000  102.822 18.020  ?       ?       0.000000       18.02026 
1 1 1 -14 3  30 o 101.837  11.081  93.175     19.385  98.804     28.376  88.248     26.545  103.314 16.268  97.566  16.147  5.747826       22.92097 
1 1 1 -14 3  31 o 39.676   13.221  13.427     10.730  25.618     16.392  4.2863     14.193  52.945  16.210  35.239  14.446  17.70612       21.71334 
1 1 1 -14 3  32 o 158.610  10.326  224.170    28.441  240.295    40.817  208.954    39.650  162.673 14.523  151.328 15.212  11.34494       21.03148 
1 1 1 -14 3  33 o 67.798   12.959  42.493     14.781  36.205     21.363  48.268     20.474  62.095  18.396  71.414  16.715  -9.319695      24.85536 
1 1 1 -14 3  34 o 89.148   11.586  72.047     17.608  71.116     25.814  72.857     24.079  86.621  17.666  88.192  16.235  -1.571068      23.99327 
1 1 1 -14 3  35 o 123.269  10.625  136.208    22.645  155.011    33.089  119.643    31.058  130.031 14.840  113.550 16.117  16.48095       21.90848 
1 1 1 -14 3  36 o 166.641  12.657  250.794    36.552  206.289    65.786  270.668    43.962  142.681 27.402  172.139 14.769  -29.45805      31.12902 
1 1 1 -14 3  37 o 112.293  12.563  114.643    24.210  140.810    45.922  104.571    28.491  119.746 22.796  105.942 15.892  13.80379       27.78867 
1 1 1 -14 3  38 o 66.088   15.691  41.469     17.836  -10.6562   37.264  56.961     20.315  47.756  21.450  77.730  15.511  -29.97479      26.47077 
1 1 1 -14 3  39 o 182.234  12.429  300.360    39.312  368.258    72.016  271.538    46.920  195.527 21.446  171.376 15.860  24.15198       26.67330 
1 1 1 -14 3  40 o 81.619   25.455  67.471     40.209  67.471     40.209  0.0000     0.0000  81.619  25.455  ?       ?       0.000000       25.45500 
1 1 1 -14 3  41 o 173.321  24.074  299.262    70.888  299.262    70.888  0.0000     0.0000  173.321 24.074  ?       ?       0.000000       24.07381 
1 1 1 -14 3  42 o 90.703   26.003  85.836     43.310  85.836     43.310  0.0000     0.0000  90.703  26.003  ?       ?       0.000000       26.00280 
1 1 1 -14 3  43 o 27.485   11.765  0.0729     10.056  5.7060     29.954  -0.6427    10.676  47.980  20.415  27.828  12.019  20.15253       23.69059 
1 1 1 -14 3  44 o 135.937  12.730  169.100    29.865  158.637    55.858  173.287    35.340  122.612 26.836  136.386 15.093  -13.77393      30.78885 
1 1 1 -14 3  45 o 33.522   13.397  5.7230     11.854  -1.4739    31.096  6.9466     12.822  45.891  20.155  35.347  13.994  10.54469       24.53674 
1 1 1 -14 3  46 o 69.563   12.439  45.150     14.554  47.738     21.807  43.071     19.544  69.752  17.835  66.534  16.816  3.218803       24.51260 
1 1 1 -14 3  47 o 56.983   12.889  30.726     12.523  33.514     19.549  28.785     16.309  58.846  17.635  54.819  16.027  4.026688       23.83002 
1 1 1 -14 3  48 f 95.369   11.164  83.226     18.238  86.050     26.977  80.849     24.752  94.323  17.006  91.856  16.015  2.467125       23.35954 
1 1 1 -14 3  49 o 181.660  10.784  299.027    34.051  275.513    48.567  321.760    47.754  170.222 16.550  185.478 14.870  -15.25648      22.24918 
1 1 1 -14 3  50 o 93.508   11.458  80.469     18.316  69.380     26.607  90.458     25.252  83.354  18.737  97.360  15.364  -14.00585      24.23071 
1 1 1 -14 3  51 o 157.032  11.133  224.907    30.329  215.997    43.345  233.453    42.452  149.861 16.857  156.769 15.720  -6.908371      23.05004 
1 1 1 -14 3  52 o 150.555  11.007  206.964    28.734  190.924    40.941  222.535    40.338  140.408 17.049  153.123 15.292  -12.71468      22.90236 
1 1 1 -14 4  1  o 112.097  11.521  112.729    22.228  104.776    32.283  119.898    30.652  105.992 18.093  114.366 15.769  -8.374672      24.00045 
1 1 1 -14 4  2  o 161.327  10.890  231.702    30.497  225.423    43.506  237.766    42.761  157.352 16.060  161.940 15.304  -4.588470      22.18445 
1 1 1 -14 4  3  o 207.336  11.088  382.199    39.994  388.585    56.913  375.968    56.215  207.140 15.856  203.697 15.932  3.443085       22.47776 
1 1 1 -14 4  4  o 198.273  10.793  349.198    37.224  371.707    52.966  327.232    52.324  202.970 15.052  190.008 15.918  12.96141       21.90794 
1 1 1 -14 4  5  o 83.045   12.243  62.558     17.220  63.585     23.521  61.373     25.278  82.510  16.895  80.679  18.357  1.831017       24.94843 
1 1 1 -14 4  6  o 47.767   14.273  20.686     12.820  11.164     16.192  36.684     20.988  41.736  15.947  62.804  18.129  -21.06853      24.14527 
1 1 1 -14 4  7  o 221.233  13.142  437.680    50.536  380.830    88.068  465.590    61.707  199.668 25.869  227.089 15.658  -27.42154      30.23859 
1 1 1 -14 4  8  f 330.377  18.128  993.236    104.171 895.349    147.014 1091.94    147.630 305.343 27.882  340.342 25.018  -34.99915      37.46070 
1 1 1 -14 4  9  o 165.194  15.419  246.965    43.960  217.900    61.951  276.444    62.390  151.228 24.283  172.288 21.186  -21.05978      32.22598 
1 1 1 -14 4  10 o 254.861  16.455  587.641    72.833  558.505    103.002 616.776    103.001 243.304 24.583  256.781 23.224  -13.47699      33.81820 
1 1 1 -14 4  11 o 44.829   17.116  13.062     18.642  20.541     26.378  5.6006     26.349  54.066  20.427  46.575  19.442  7.491146       28.20022 
1 1 1 -14 4  12 o 99.501   12.651  89.419     21.483  83.778     25.609  102.817    39.467  95.343  15.946  103.654 22.456  -8.309959      27.54181 
1 1 1 -14 4  13 o 47.547   15.353  19.832     14.518  23.034     16.712  9.9813     29.314  51.078  16.470  50.621  20.758  0.4565086      26.49824 
1 1 1 -14 4  14 o 230.223  12.360  472.579    49.506  432.173    60.382  555.433    86.466  218.626 15.927  245.420 20.362  -26.79381      25.85088 
1 1 1 -14 4  15 o 173.848  12.545  270.250    37.824  257.648    46.422  295.142    65.241  168.496 15.970  177.869 21.439  -9.373566      26.73281 
1 1 1 -14 4  16 o 105.834  13.612  101.545    24.571  107.521    30.348  90.172     41.865  108.024 16.623  96.260  24.765  11.76329       29.82682 
1 1 1 -14 4  17 o 168.712  12.500  254.660    36.560  249.139    44.932  265.477    62.892  165.711 15.717  168.235 21.931  -2.524200      26.98161 
1 1 1 -14 4  18 o 152.481  12.357  208.196    32.616  191.994    39.953  240.570    56.476  145.148 16.032  160.624 20.612  -15.47523      26.11302 
1 1 1 -14 4  19 o 97.044   13.476  85.627     22.218  83.919     27.331  88.955     38.152  94.960  17.113  95.918  23.063  -0.9583969     28.71884 
1 1 1 -14 4  20 o 106.596  12.972  102.779    23.647  101.445    29.411  105.220    39.770  104.757 16.635  104.627 22.442  0.1308670      27.93542 
1 1 1 -14 4  21 o 78.341   14.346  56.649     18.901  54.895     23.911  59.569     30.858  76.169  18.223  78.837  21.722  -2.667923      28.35321 
1 1 1 -14 4  22 f 79.888   14.651  59.003     19.683  55.067     25.189  65.176     31.543  76.118  19.009  82.303  21.657  -6.185020      28.81586 
1 1 1 -14 4  23 o 135.847  12.454  165.889    29.213  172.180    36.669  154.960    48.331  137.339 15.566  127.244 22.580  10.09502       27.42578 
1 1 1 -14 4  24 o 50.651   15.321  23.392     14.704  18.778     20.319  28.465     21.306  49.459  18.068  56.571  18.620  -7.111938      25.94551 
1 1 1 -14 4  25 o 39.830   14.096  12.574     12.254  22.381     19.728  6.4128     15.636  51.607  17.913  37.993  15.314  13.61398       23.56696 
1 1 1 -14 4  26 o ?        ?       -18.3695   3.7497  -32.9552   16.317  -17.5563   3.8528  23.381  11.492  ?       ?       0.000000       11.49208 
1 1 1 -14 4  27 o 37.778   13.848  10.509     11.950  21.264     20.128  4.6546     14.850  50.940  18.062  36.105  14.786  14.83536       23.34256 
1 1 1 -14 4  28 o 57.114   18.808  29.272     21.738  29.272     21.738  0.0000     0.0000  57.114  18.808  ?       ?       0.000000       18.80844 
1 1 1 -14 4  29 o 233.212  16.329  497.791    66.072  497.791    66.072  0.0000     0.0000  233.212 16.329  ?       ?       0.000000       16.32886 
1 1 1 -14 4  30 o 101.794  11.941  93.825     20.820  111.748    27.288  68.856     32.209  110.329 14.518  83.928  21.787  26.40131       26.18114 
1 1 1 -14 4  31 f 120.747  11.212  131.145    23.370  152.746    30.003  97.825     37.264  129.589 13.456  100.038 21.937  29.55118       25.73548 
1 1 1 -14 4  32 o 117.108  10.913  123.315    22.058  164.077    28.400  61.334     35.021  134.765 12.202  78.940  23.592  55.82534       26.56008 
1 1 1 -14 4  33 o 89.821   12.562  73.798     19.162  89.450     24.645  49.872     30.470  98.243  14.829  71.797  22.121  26.44672       26.63132 
1 1 1 -14 4  34 o 54.569   14.315  28.015     13.810  42.039     18.830  11.693     20.315  66.416  16.348  44.660  17.636  21.75516       24.04742 
1 1 1 -14 4  35 o 110.936  16.729  115.599    31.397  115.599    31.397  0.0000     0.0000  110.936 16.729  ?       ?       0.000000       16.72877 
1 1 1 -14 4  36 o 67.155   17.871  43.498     21.324  43.498     21.324  0.0000     0.0000  67.155  17.871  ?       ?       0.000000       17.87115 
1 1 1 -14 4  37 o 173.860  22.257  295.546    66.015  295.546    66.015  0.0000     0.0000  173.860 22.257  ?       ?       0.000000       22.25701 
1 1 1 -14 4  38 o 42.351   14.665  15.161     13.218  28.155     18.839  2.5634     18.549  54.982  17.462  38.067  16.126  16.91491       23.76889 
1 1 1 -14 4  39 o 27.340   11.356  1.9236     8.9262  6.8878     16.153  -0.2587    10.710  38.344  15.527  28.122  12.092  10.22150       19.68009 
1 1 1 -14 4  40 o 45.828   14.121  19.349     12.416  19.322     17.813  19.375     17.316  47.834  16.988  47.644  16.768  0.1905556      23.86957 
1 1 1 -14 4  41 o 134.532  12.299  165.248    28.572  169.241    36.160  158.611    46.618  134.362 15.710  126.095 21.972  8.266991       27.01061 
1 1 1 -14 4  42 f 106.738  12.342  104.619    22.578  120.239    29.083  80.927     35.818  113.220 15.087  88.725  22.948  24.49525       27.46321 
1 1 1 -14 4  43 o 122.041  12.308  136.543    25.870  131.948    32.949  143.929    41.773  117.811 16.468  120.528 20.588  -2.717171      26.36409 
1 1 1 -14 4  44 o 90.178   12.832  75.514     19.635  84.485     26.113  63.843     29.784  93.752  16.557  79.250  21.136  14.50203       26.84889 
1 1 1 -14 4  45 o 90.302   13.461  76.265     20.576  74.976     27.195  77.991     31.468  87.160  18.445  87.657  20.862  -0.4964447     27.84628 
1 1 1 -14 4  46 o 138.158  11.866  174.758    28.348  186.087    36.184  156.754    45.614  140.734 14.954  124.326 21.807  16.40758       26.44215 
1 1 1 -14 4  47 o 70.144   14.133  46.989     16.712  51.357     23.037  42.137     24.279  71.729  18.326  64.902  19.699  6.826805       26.90564 
1 1 1 -14 4  48 o 72.743   12.097  49.468     14.826  78.190     23.294  29.912     19.222  90.305  15.321  55.636  17.635  34.66878       23.36057 
1 1 1 -14 4  49 o 110.822  11.037  112.553    21.074  111.005    31.425  113.819    28.408  106.437 17.519  109.156 15.328  -2.719635      23.27735 
1 1 1 -14 4  50 o 67.720   12.501  43.347     14.237  30.276     22.455  52.132     18.410  56.142  19.126  73.392  14.875  -17.24976      24.22956 
1 1 1 -14 4  51 o 111.486  10.424  113.668    20.055  119.554    30.058  108.944    26.925  111.170 15.941  106.726 14.851  4.444099       21.78696 
1 1 1 -14 5  1  o 70.351   17.979  47.216     22.167  66.356     27.648  12.765     37.092  83.083  19.409  55.894  23.177  27.18832       30.23070 
1 1 1 -14 5  2  f 209.618  13.047  395.685    47.516  372.637    58.473  440.493    81.529  201.406 16.780  215.407 21.985  -14.00133      27.65658 
1 1 1 -14 5  3  o 65.195   18.242  40.280     21.582  46.651     26.684  28.228     36.700  69.928  20.516  62.275  23.958  7.653187       31.54218 
1 1 1 -14 5  4  o 202.376  15.688  373.459    55.002  373.459    55.002  0.0000     0.0000  202.376 15.688  ?       ?       0.000000       15.68778 
1 1 1 -14 5  5  o 202.607  10.955  366.118    38.612  334.811    54.190  398.405    55.030  191.237 16.387  209.400 15.153  -18.16273      22.31932 
1 1 1 -14 5  6  o 189.391  12.680  322.272    41.689  259.057    71.193  355.260    51.429  162.585 25.951  197.792 15.003  -35.20708      29.97553 
1 1 1 -14 5  7  o 117.926  13.276  126.127    26.860  72.073     45.161  155.714    33.412  85.693  27.017  130.575 14.923  -44.88234      30.86456 
1 1 1 -14 5  8  o 107.054  13.556  104.342    24.772  86.494     42.413  113.582    30.518  93.390  25.357  110.820 16.255  -17.42911      30.11978 
1 1 1 -14 5  9  o 38.554   15.427  7.1868     15.740  9.1748     25.608  5.9796     19.955  47.404  19.416  41.478  17.081  5.925705       25.85989 
1 1 1 -14 5  10 o 119.957  9.8189  128.276    20.386  119.634    27.587  138.672    30.257  114.567 14.087  123.380 14.311  -8.813042      20.08118 
1 1 1 -14 5  11 o 139.496  9.9925  173.297    24.177  140.617    32.805  212.156    35.772  123.815 15.515  153.236 13.508  -29.42144      20.57096 
1 1 1 -14 5  12 o 161.822  10.744  233.594    30.185  208.016    42.066  260.743    43.339  150.595 16.256  169.439 14.797  -18.84392      21.98184 
1 1 1 -14 5  13 o 52.956   15.049  26.007     14.571  36.675     20.318  14.712     20.908  62.455  17.779  47.163  18.098  15.29226       25.36960 
1 1 1 -14 5  14 f 204.130  10.790  371.255    38.322  306.959    53.584  438.574    54.829  182.831 16.979  220.266 14.334  -37.43515      22.22053 
1 1 1 -14 5  15 o 142.692  11.115  182.174    27.475  144.345    38.315  222.216    39.419  124.348 18.184  156.374 14.606  -32.02603      23.32370 
1 1 1 -14 5  16 o 190.010  10.931  322.059    36.114  269.383    51.058  374.793    51.087  170.948 17.346  203.439 14.476  -32.49168      22.59292 
1 1 1 -14 5  17 o 39.039   14.545  10.791     13.278  17.017     19.266  5.1589     18.326  47.579  17.561  39.607  16.347  7.971375       23.99151 
1 1 1 -14 5  18 o 288.156  11.911  741.283    59.929  715.306    84.712  767.310    84.794  279.073 17.473  289.573 16.843  -10.49982      24.26904 
1 1 1 -14 5  19 f 100.555  12.001  91.504     20.655  82.577     29.547  100.036    28.884  93.177  18.809  103.678 16.509  -10.50047      25.02680 
1 1 1 -14 5  20 o 191.319  10.778  326.603    35.858  305.439    50.884  347.483    50.541  182.577 16.127  195.464 14.921  -12.88736      21.97112 
1 1 1 -14 5  21 o 82.774   15.633  64.064     21.766  71.626     26.492  48.355     38.183  86.818  18.064  72.427  24.933  14.39058       30.78930 
1 1 1 -14 5  22 o 152.725  12.543  210.372    33.153  210.372    33.153  0.0000     0.0000  152.725 12.543  ?       ?       0.000000       12.54317 
1 1 1 -14 5  23 o 50.437   15.962  23.039     15.752  23.039     15.752  0.0000     0.0000  50.437  15.962  ?       ?       0.000000       15.96191 
1 1 1 -14 5  24 o 96.958   12.924  85.846     21.335  85.846     21.335  0.0000     0.0000  96.958  12.924  ?       ?       0.000000       12.92420 
1 1 1 -14 5  25 o 64.200   17.804  39.259     20.656  39.259     20.656  0.0000     0.0000  64.200  17.804  ?       ?       0.000000       17.80428 
1 1 1 -14 5  26 o 168.741  12.568  257.184    36.766  257.184    36.766  0.0000     0.0000  168.741 12.568  ?       ?       0.000000       12.56849 
1 1 1 -14 5  27 o 193.166  10.943  334.223    36.756  355.252    42.702  274.094    72.207  198.471 12.384  165.710 25.795  32.76059       28.61357 
1 1 1 -14 5  28 o 23.741   10.623  -3.6845    9.0501  -8.0913    10.994  5.5800     15.940  24.286  11.191  37.530  15.339  -13.24341      18.98740 
1 1 1 -14 5  29 o 132.094  15.879  162.009    35.891  162.009    35.891  0.0000     0.0000  132.094 15.879  ?       ?       0.000000       15.87934 
1 1 1 -14 5  30 o 54.186   21.879  16.797     31.976  16.797     31.976  0.0000     0.0000  54.186  21.879  ?       ?       0.000000       21.87938 
1 1 1 -14 5  31 o 144.424  16.171  194.281    40.079  194.281    40.079  0.0000     0.0000  144.424 16.171  ?       ?       0.000000       16.17097 
1 1 1 -14 5  32 o 129.409  15.968  156.362    35.316  156.362    35.316  0.0000     0.0000  129.409 15.968  ?       ?       0.000000       15.96809 
1 1 1 -14 5  33 o 76.986   10.441  53.922     13.673  81.889     22.090  36.553     17.409  93.921  13.889  61.774  16.009  32.14654       21.19388 
1 1 1 -14 5  34 o 136.556  12.029  169.531    28.388  182.089    36.210  149.504    45.727  140.042 15.044  122.612 22.175  17.42989       26.79682 
1 1 1 -14 5  35 o 175.879  11.750  280.283    35.878  305.479    45.153  237.133    59.090  182.070 14.319  154.451 22.578  27.61844       26.73538 
1 1 1 -14 5  36 f 37.371   12.547  12.053     9.6617  41.753     16.687  -2.9249    11.850  66.162  14.813  27.963  12.355  38.19886       19.28918 
1 1 1 -14 5  37 o 84.768   11.147  65.755     16.098  84.537     25.223  52.845     20.912  94.306  15.882  73.896  16.611  20.41008       22.98184 
1 1 1 -14 5  38 o 60.716   12.642  34.690     12.967  34.159     21.366  34.999     16.316  59.524  18.554  60.288  15.434  -0.7642899     24.13424 
1 1 1 -14 5  39 o 40.277   13.371  14.336     10.979  23.174     15.813  6.1112     15.254  49.940  16.013  36.894  15.033  13.04601       21.96392 
1 1 1 -14 5  40 o 21.826   9.7484  -2.8566    7.5825  -1.5779    13.638  -3.4287    9.1223  30.749  13.430  23.876  10.676  6.873795       17.15635 
1 1 1 -14 5  41 o 65.330   13.944  40.704     15.421  39.500     20.609  42.237     23.246  63.318  17.864  65.187  19.156  -1.869133      26.19334 
1 1 1 -14 5  42 o 108.917  10.292  107.751    19.341  119.155    28.755  98.329     26.137  112.238 15.052  101.749 15.176  10.48934       21.37439 
1 1 1 -14 5  43 o 106.744  12.697  105.719    23.201  93.965     40.956  111.274    28.154  93.418  24.723  108.149 15.339  -14.73104      29.09482 
1 1 1 -14 5  44 o 94.535   12.564  83.193     20.225  97.833     36.178  76.538     24.392  97.151  21.856  88.791  16.335  8.360268       27.28604 
1 1 1 -14 5  45 o 29.490   11.824  4.3071     9.2668  -4.6149    19.722  6.8351     10.498  35.325  15.754  32.872  12.766  2.453369       20.27728 
1 1 1 -14 5  46 f 59.031   14.005  33.664     14.218  45.695     25.449  28.206     17.142  66.842  20.141  53.896  16.590  12.94585       26.09386 
1 1 1 -14 5  47 o 51.733   12.442  25.581     11.101  54.964     22.700  16.345     12.726  73.930  17.799  42.606  14.399  31.32462       22.89363 
1 1 1 -14 5  48 o 25.992   10.970  1.1574     8.5339  0.5588     18.699  1.3149     9.5910  36.498  15.835  27.486  11.617  9.011190       19.63930 
1 1 1 -14 5  49 o 150.683  12.132  210.718    31.649  194.448    55.119  218.720    38.657  133.463 24.557  151.387 14.814  -17.92371      28.67979 
1 1 1 -14 6  1  o 208.734  12.365  394.415    44.864  306.264    75.836  441.878    55.647  173.974 25.742  219.461 14.605  -45.48666      29.59669 
1 1 1 -14 6  2  o 90.172   13.589  75.242     20.732  53.526     33.278  89.015     26.503  73.667  23.188  97.176  16.190  -23.50967      28.28009 
1 1 1 -14 6  3  o 39.532   14.434  11.955     12.964  -6.1617    19.482  26.353     17.368  35.018  15.634  53.350  16.745  -18.33162      22.90882 
1 1 1 -14 6  4  o 35.683   14.973  2.8452     15.749  0.0000     0.0000  2.8452     15.749  ?       ?       35.683  14.973  0.000000       14.97273 
1 1 1 -14 6  5  o 135.364  15.681  169.952    36.376  0.0000     0.0000  169.952    36.376  ?       ?       135.364 15.681  0.000000       15.68091 
1 1 1 -14 6  6  o 143.845  22.310  202.128    54.219  0.0000     0.0000  202.128    54.219  ?       ?       143.845 22.310  0.000000       22.30971 
1 1 1 -14 6  7  o 50.222   17.433  21.668     18.685  1.0084     29.882  34.934     23.944  46.490  20.094  61.133  19.715  -14.64249      28.15055 
1 1 1 -14 6  8  o 123.079  12.994  138.080    27.502  142.947    33.651  128.291    47.724  123.992 15.910  112.659 24.922  11.33289       29.56721 
1 1 1 -14 6  9  o 150.980  12.499  206.476    32.653  191.687    39.562  238.080    57.833  143.782 16.031  156.874 21.694  -13.09219      26.97464 
1 1 1 -14 6  10 o 60.223   15.708  34.420     16.690  20.070     22.699  51.307     24.624  51.069  19.019  72.729  19.133  -21.66016      26.97736 
1 1 1 -14 6  11 o 136.186  11.290  167.061    26.604  135.289    36.980  201.147    38.303  119.471 18.311  147.840 15.048  -28.36880      23.70085 
1 1 1 -14 6  12 o 64.368   16.230  39.480     18.238  14.500     25.789  64.472     25.795  49.706  19.794  81.747  18.503  -32.04105      27.09507 
1 1 1 -14 6  13 o 66.899   15.774  42.531     18.125  20.286     25.581  64.958     25.685  52.659  20.063  82.099  18.376  -29.44022      27.20659 
1 1 1 -14 6  14 f 89.336   13.608  73.700     20.556  51.685     28.880  96.303     29.263  72.725  21.346  100.901 17.228  -28.17583      27.43118 
1 1 1 -14 6  15 o 140.995  10.894  178.687    26.611  175.917    37.324  181.549    37.951  137.762 15.803  139.970 15.805  -2.207947      22.35000 
1 1 1 -14 6  16 o 133.243  11.092  159.876    25.570  159.238    35.868  160.536    36.463  130.861 16.033  131.294 16.253  -0.4324036     22.83000 
1 1 1 -14 6  17 o 86.162   12.698  68.227     18.531  88.412     25.659  46.220     26.792  97.183  15.653  69.040  20.635  28.14291       25.90030 
1 1 1 -14 6  18 o 166.961  12.584  252.623    36.417  225.374    44.316  309.288    63.906  155.579 16.568  179.493 20.775  -23.91393      26.57248 
1 1 1 -14 6  19 o 205.061  12.304  379.980    43.852  369.892    53.117  401.573    77.711  200.483 15.289  203.343 22.250  -2.860077      26.99685 
1 1 1 -14 6  20 o 56.512   19.302  28.664     22.870  28.664     22.870  0.0000     0.0000  56.512  19.302  ?       ?       0.000000       19.30175 
1 1 1 -14 6  21 f 114.901  12.588  120.466    24.842  120.466    24.842  0.0000     0.0000  114.901 12.588  ?       ?       0.000000       12.58838 
1 1 1 -14 6  22 o 174.859  10.846  274.807    32.951  258.911    38.105  321.934    65.612  168.635 13.043  182.561 20.963  -13.92570      24.68958 
1 1 1 -14 6  23 o 193.438  10.831  336.223    36.436  311.218    42.168  409.908    72.386  184.844 13.151  206.607 20.328  -21.76241      24.21147 
1 1 1 -14 6  24 o 40.315   14.436  13.025     12.888  13.025     12.888  0.0000     0.0000  40.315  14.436  ?       ?       0.000000       14.43628 
1 1 1 -14 6  25 o 69.380   15.236  45.834     17.952  45.834     17.952  0.0000     0.0000  69.380  15.236  ?       ?       0.000000       15.23617 
1 1 1 -14 6  26 o 40.117   16.914  3.8454     20.255  3.8454     20.255  0.0000     0.0000  40.117  16.914  ?       ?       0.000000       16.91445 
1 1 1 -14 6  27 o 47.147   15.018  20.326     13.926  31.065     18.213  5.2079     21.609  57.074  17.003  41.835  17.546  15.23972       24.43247 
1 1 1 -14 6  28 f 40.911   15.109  12.780     14.267  3.2243     20.156  22.374     20.197  39.660  16.806  50.974  18.091  -11.31411      24.69224 
1 1 1 -14 6  29 o 136.273  15.071  173.257    35.260  170.359    50.252  176.068    49.487  129.926 22.993  132.771 22.125  -2.845581      31.90882 
1 1 1 -14 6  30 o 159.444  15.054  236.869    41.415  290.032    58.573  183.717    58.567  172.815 19.767  132.127 26.311  40.68774       32.90894 
1 1 1 -14 6  31 o 87.779   12.402  71.250     18.479  84.444     33.199  65.327     22.243  91.418  21.209  82.519  16.015  8.899429       26.57629 
1 1 1 -14 6  32 o 26.214   10.921  1.6685     8.2903  12.307     17.427  -1.4432    9.4250  42.549  16.470  25.559  11.164  16.98928       19.89690 
1 1 1 -14 6  33 o 26.328   10.972  1.6853     8.3727  7.1454     17.345  0.0266     9.5602  39.251  16.017  26.709  11.453  12.54175       19.69013 
1 1 1 -14 6  34 o 29.277   11.326  5.2714     8.2368  10.152     20.012  4.2760     9.0378  42.924  17.317  29.285  11.700  13.63987       20.89895 
1 1 1 -14 6  35 o 19.915   9.0908  -4.3499    7.0268  0.0000     0.0000  -4.3499    7.0268  ?       ?       19.915  9.0908  0.000000       9.090793 
1 1 1 -14 6  36 o 82.674   16.218  66.269     22.575  91.286     32.129  41.873     31.728  95.218  19.963  65.221  22.712  29.99704       30.23845 
1 1 1 -14 6  37 f 69.147   16.570  46.972     19.745  60.646     28.642  34.588     27.256  76.809  20.830  60.161  21.046  16.64751       29.61115 
1 1 1 -14 6  38 o 60.866   16.008  36.285     17.239  40.400     24.770  32.418     24.008  63.514  20.007  58.099  19.776  5.415226       28.13157 
1 1 1 -14 6  39 o 32.167   13.005  4.9213     11.312  10.415     16.546  0.0996     15.501  40.407  15.929  33.464  14.468  6.942490       21.51883 
1 1 1 -14 6  40 o 153.186  15.494  223.394    40.873  223.394    40.873  0.0000     0.0000  153.186 15.494  ?       ?       0.000000       15.49406 
1 1 1 -14 6  41 o 194.675  16.535  364.625    55.675  364.625    55.675  0.0000     0.0000  194.675 16.535  ?       ?       0.000000       16.53535 
1 1 1 -14 6  42 f 70.472   18.572  50.521     23.174  50.521     23.174  0.0000     0.0000  70.472  18.572  ?       ?       0.000000       18.57191 
1 1 1 -14 6  43 o 65.512   14.507  41.763     16.156  48.724     21.588  32.901     24.359  69.434  17.741  57.917  19.916  11.51652       26.67191 
1 1 1 -14 6  44 o 50.739   14.976  25.030     14.181  40.007     19.637  8.7084     20.500  62.996  17.316  41.865  17.285  21.13069       24.46659 
1 1 1 -14 6  45 o 34.195   13.522  7.0775     11.957  18.355     17.390  -3.0369    16.469  45.929  16.725  32.645  14.487  13.28365       22.12651 
1 1 1 -14 6  46 f 61.805   15.003  37.768     16.027  36.780     22.358  38.812     22.987  59.981  19.020  61.400  19.263  -1.419292      27.07060 
1 1 1 -14 7  1  o 64.057   14.910  39.576     16.364  6.5023     23.319  71.669     22.971  43.334  18.203  86.333  15.821  -42.99858      24.11790 
1 1 1 -14 7  2  o 120.602  11.276  132.743    23.469  106.879    32.748  160.054    33.651  104.277 18.671  130.427 15.053  -26.14968      23.98368 
1 1 1 -14 7  3  o 91.960   12.426  78.313     19.441  83.041     27.150  73.337     27.850  92.345  17.478  85.853  19.074  6.491661       25.87083 
1 1 1 -14 7  4  o 69.715   16.388  47.293     19.612  33.807     35.631  53.155     23.490  62.325  23.694  73.222  18.396  -10.89703      29.99726 
1 1 1 -14 7  5  o 81.180   15.036  62.784     20.528  59.319     37.771  64.237     24.455  75.669  24.787  80.914  17.793  -5.245560      30.51205 
1 1 1 -14 7  6  o 71.609   16.259  49.714     19.865  78.290     37.274  38.378     23.477  86.456  23.895  62.618  19.438  23.83807       30.80265 
1 1 1 -14 7  7  o 109.932  10.899  109.912    20.645  98.034     28.610  122.816    29.820  101.064 16.803  114.140 15.352  -13.07558      22.75996 
1 1 1 -14 7  8  o 39.316   15.147  10.389     14.687  18.157     26.380  6.9005     17.680  51.160  20.131  39.440  16.141  11.72056       25.80237 
1 1 1 -14 7  9  o 121.570  13.008  136.262    27.185  130.829    47.093  138.977    33.291  111.855 24.766  121.118 16.144  -9.263405      29.56346 
1 1 1 -14 7  10 o 38.134   14.786  9.3931     14.065  -3.1833    24.571  15.522     17.154  40.381  17.818  44.599  16.548  -4.218365      24.31734 
1 1 1 -14 7  11 o 26.445   11.916  -5.1176    11.604  -5.5827    17.958  -4.7841    15.206  33.504  14.981  30.954  13.817  2.550156       20.37944 
1 1 1 -14 7  12 o 75.531   17.856  55.981     23.178  53.563     36.352  57.637     30.087  72.771  24.337  75.358  21.693  -2.586578      32.60207 
1 1 1 -14 7  13 o 82.559   17.436  66.366     24.346  59.198     37.479  71.598     32.023  75.848  24.683  83.831  21.706  -7.983131      32.86961 
1 1 1 -14 7  14 o 43.744   16.126  15.067     16.239  55.360     28.743  -3.8243    19.681  74.031  21.171  35.915  15.892  38.11554       26.47204 
1 1 1 -14 7  15 o 162.820  12.809  243.049    36.123  209.603    63.712  258.894    43.852  140.415 26.966  166.447 15.259  -26.03133      30.98410 
1 1 1 -14 7  16 f 266.944  17.384  675.641    80.586  611.820    113.372 740.817    114.570 240.393 27.505  269.198 24.648  -28.80510      36.93309 
1 1 1 -14 7  17 o 145.017  13.121  193.628    32.864  191.590    39.923  197.912    57.881  142.254 16.371  138.026 24.935  4.228378       29.82874 
1 1 1 -14 7  18 o 34.101   14.497  1.6856     15.080  -1.6856    17.516  11.338     29.639  34.781  15.204  49.706  20.674  -14.92576      25.66272 
1 1 1 -14 7  19 o 101.661  13.363  96.100     23.145  96.100     23.145  0.0000     0.0000  101.661 13.363  ?       ?       0.000000       13.36252 
1 1 1 -14 7  20 o 105.410  12.888  102.850    23.227  102.850    23.227  0.0000     0.0000  105.410 12.888  ?       ?       0.000000       12.88807 
1 1 1 -14 7  21 o 89.832   13.932  75.813     21.145  75.813     21.145  0.0000     0.0000  89.832  13.932  ?       ?       0.000000       13.93213 
1 1 1 -14 7  22 o 118.337  10.901  127.448    22.272  122.256    26.119  141.281    42.634  114.773 13.278  118.345 21.420  -3.571495      25.20219 
1 1 1 -14 7  23 o 122.341  12.356  137.768    26.032  142.301    32.758  129.999    42.884  122.510 15.673  112.442 22.626  10.06860       27.52437 
1 1 1 -14 7  24 o 84.305   13.550  66.829     19.271  69.675     24.799  62.491     30.618  84.306  17.423  77.839  21.709  6.467628       27.83564 
1 1 1 -14 7  25 o 113.040  12.332  117.925    23.945  121.193    30.221  112.412    39.249  112.756 15.782  104.438 22.207  8.318626       27.24390 
1 1 1 -14 7  26 o 53.897   13.753  27.845     12.985  29.424     16.512  25.286     21.022  55.135  16.128  52.739  18.481  2.396103       24.52887 
1 1 1 -14 7  27 o 128.092  10.157  148.774    22.530  172.021    26.764  92.245     41.736  137.216 11.271  92.090  25.216  45.12576       27.62030 
1 1 1 -14 7  28 o 52.683   15.343  26.753     14.972  36.259     22.492  19.190     20.063  60.569  19.062  48.208  17.895  12.36053       26.14573 
1 1 1 -14 7  29 f 86.621   13.300  70.632     19.473  81.386     26.428  57.859     28.802  91.031  17.258  74.723  21.132  16.30841       27.28371 
1 1 1 -14 7  30 o 46.383   17.536  16.979     19.450  16.979     19.450  0.0000     0.0000  46.383  17.536  ?       ?       0.000000       17.53640 
1 1 1 -14 7  31 o 13.602   6.7059  -12.1603   5.6967  -7.8760    12.382  -13.3106   6.4161  25.994  11.941  14.554  7.1637  11.44031       13.92478 
1 1 1 -14 7  32 o 103.205  12.768  99.528     22.517  126.349    29.125  59.679     35.502  115.204 14.823  74.490  24.004  40.71383       28.21233 
1 1 1 -14 7  33 o 52.927   13.154  26.934     12.103  23.639     20.824  28.615     14.874  51.166  18.347  54.175  15.138  -3.008434      23.78632 
1 1 1 -14 7  34 o 24.153   10.122  1.2305     7.1814  10.202     16.434  -0.8871    7.9840  40.026  15.844  23.709  10.317  16.31702       18.90715 
1 1 1 -14 7  35 o 74.717   11.872  52.355     14.971  89.970     29.463  39.264     17.382  94.477  18.522  63.007  15.822  31.46976       24.35990 
1 1 1 -14 7  36 o 12.508   6.1011  -7.8796    4.3409  -44.0330   10.107  0.2971     4.8068  ?       ?       19.336  8.2009  0.000000       8.200933 
1 1 1 -14 7  37 o 40.990   12.124  15.833     9.2845  24.590     16.845  12.013     11.127  50.594  16.552  37.748  13.425  12.84642       21.31178 
1 1 1 -14 7  38 o 115.153  12.404  124.063    24.547  136.903    31.312  103.589    39.538  118.943 15.441  97.060  23.566  21.88387       28.17410 
1 1 1 -14 7  39 o 133.006  12.301  165.223    28.244  171.688    35.820  154.598    45.922  132.950 15.735  119.854 22.776  13.09629       27.68309 
1 1 1 -14 7  40 o 69.316   14.648  47.143     17.174  46.810     22.450  47.613     26.666  67.235  18.529  66.964  20.704  0.2715073      27.78456 
1 1 1 -14 7  41 o 51.070   14.493  25.630     13.524  26.468     18.319  24.628     20.048  51.974  17.273  50.971  18.031  1.002647       24.96983 
1 1 1 -14 7  42 o 53.661   14.321  28.436     13.668  43.950     18.943  11.589     19.740  65.808  16.513  42.539  17.186  23.26934       23.83311 
1 1 1 -14 7  43 o 83.488   18.638  72.681     26.481  72.681     26.481  0.0000     0.0000  83.488  18.638  ?       ?       0.000000       18.63764 
1 1 1 -14 8  1  o 65.828   17.655  44.282     20.711  44.977     24.851  42.701     37.476  65.510  19.940  64.455  24.349  1.054794       31.47165 
1 1 1 -14 8  2  o 47.380   16.880  20.326     17.599  18.423     20.662  25.357     33.594  47.337  18.032  55.892  22.476  -8.554989      28.81513 
1 1 1 -14 8  3  o 50.773   15.149  25.158     14.449  36.421     22.207  16.890     19.026  59.858  18.953  45.658  17.325  14.19963       25.67826 
1 1 1 -14 8  4  o 54.360   16.314  29.199     16.721  52.357     33.690  21.630     19.261  69.623  23.428  48.967  17.636  20.65532       29.32406 
1 1 1 -14 8  5  o 88.295   14.139  74.777     21.062  128.951    39.690  53.542     24.849  110.994 21.254  71.848  19.368  39.14555       28.75459 
1 1 1 -14 8  6  o 24.031   11.097  -7.6856    10.894  35.865     28.512  -15.1298   11.788  60.191  21.480  22.277  10.663  37.91341       23.98129 
1 1 1 -14 8  7  o 153.617  11.302  217.128    30.102  189.316    42.367  245.483    42.778  138.185 17.985  159.894 15.518  -21.70894      23.75424 
1 1 1 -14 8  8  o 37.594   13.905  11.110     12.091  -7.7891    17.997  26.660     16.325  32.222  14.646  52.317  16.204  -20.09455      21.84215 
1 1 1 -14 8  9  o 107.915  12.332  108.652    22.821  94.408     32.689  122.193    31.872  95.587  20.217  111.587 16.886  -15.99926      26.34171 
1 1 1 -14 8  10 o 69.040   14.087  46.046     16.407  32.922     24.560  56.623     22.049  57.955  19.994  75.215  17.167  -17.26057      26.35287 
1 1 1 -14 8  11 o 101.147  12.139  95.351     21.010  63.303     30.856  123.053    28.688  77.035  21.902  113.407 14.844  -36.37158      26.45866 
1 1 1 -14 8  12 o 36.472   13.894  9.5569     12.268  -15.1238   20.349  23.647     15.376  31.946  14.893  49.685  15.775  -17.73921      21.69480 
1 1 1 -14 8  13 o 46.132   17.833  16.194     20.410  12.899     25.394  22.206     34.303  47.072  19.313  55.332  22.545  -8.259647      29.68634 
1 1 1 -14 8  14 o 34.326   15.292  -3.9550    18.528  13.561     21.617  -52.4473   35.967  45.271  18.091  36.117  17.605  9.153591       25.24338 
1 1 1 -14 8  15 o 93.835   19.740  90.324     31.317  99.108     40.590  77.404     49.227  94.783  24.385  81.343  28.293  13.44016       37.35148 
1 1 1 -14 8  16 o 139.354  16.740  189.150    39.917  189.150    39.917  0.0000     0.0000  139.354 16.740  ?       ?       0.000000       16.73997 
1 1 1 -14 8  17 o 145.701  16.977  207.292    42.380  207.292    42.380  0.0000     0.0000  145.701 16.977  ?       ?       0.000000       16.97681 
1 1 1 -14 8  18 o 115.574  12.162  124.270    24.175  129.038    30.380  116.038    39.920  115.724 15.419  104.310 22.573  11.41461       27.33664 
1 1 1 -14 8  19 o 205.819  13.229  395.870    47.288  377.558    58.402  430.733    80.582  196.644 17.182  201.595 23.323  -4.950760      28.96875 
1 1 1 -14 8  20 o 86.054   11.179  68.712     16.400  72.915     19.629  58.994     29.847  87.700  13.230  74.369  21.664  13.33055       25.38420 
1 1 1 -14 8  21 o 57.640   12.459  31.786     12.173  39.447     15.109  17.610     20.552  63.773  13.956  46.955  17.961  16.81815       22.74555 
1 1 1 -14 8  22 o 34.363   12.398  9.5485     9.5240  13.371     12.665  4.5747     14.448  39.820  14.305  34.770  14.446  5.049278       20.33015 
1 1 1 -14 8  23 o 70.120   12.017  46.433     14.184  46.979     17.367  45.338     24.581  69.304  14.802  66.073  19.769  3.231758       24.69607 
1 1 1 -14 8  24 o 81.803   12.065  62.901     16.716  55.384     20.181  79.331     29.836  74.778  15.943  87.214  20.016  -12.43546      25.58995 
1 1 1 -14 8  25 o 98.748   11.946  91.124     20.179  120.660    27.278  55.425     29.989  112.363 14.222  71.730  21.920  40.63215       26.12974 
1 1 1 -14 8  26 o 74.780   13.095  53.461     16.475  77.908     23.816  31.027     22.815  88.972  15.915  56.087  19.275  32.88468       24.99609 
1 1 1 -14 8  27 o 50.885   14.054  25.273     12.900  41.909     20.072  13.568     16.837  64.154  17.455  42.234  16.232  21.92028       23.83591 
1 1 1 -14 8  28 o 43.293   15.625  16.298     15.128  16.298     15.128  0.0000     0.0000  43.293  15.625  ?       ?       0.000000       15.62467 
1 1 1 -14 8  29 o 59.503   12.541  34.043     12.618  44.272     16.935  21.274     18.921  67.003  14.864  48.389  17.472  18.61446       22.93924 
1 1 1 -14 8  30 o 52.722   12.688  26.909     11.539  31.520     15.055  20.344     17.965  56.353  15.026  47.361  17.035  8.992363       22.71465 
1 1 1 -14 8  31 o 22.508   9.1301  2.1171     5.5956  -6.2203    16.291  3.2324     5.9581  30.933  14.011  24.221  9.5553  6.712095       16.95917 
1 1 1 -14 8  32 f 34.004   11.952  9.8213     8.7953  40.450     17.107  -1.1834    10.254  63.548  15.546  26.536  11.616  37.01185       19.40606 
1 1 1 -14 8  33 o 58.089   18.748  34.698     21.649  34.698     21.649  0.0000     0.0000  58.089  18.748  ?       ?       0.000000       18.74784 
1 1 1 -14 8  34 o 45.731   20.766  -4.7812    36.062  -4.7812    36.062  0.0000     0.0000  45.731  20.766  ?       ?       0.000000       20.76617 
1 1 1 -14 8  35 o 111.126  29.371  157.685    57.851  157.685    57.851  0.0000     0.0000  111.126 29.371  ?       ?       0.000000       29.37096 
1 1 1 -14 8  36 o 117.257  29.494  175.999    60.331  175.999    60.331  0.0000     0.0000  117.257 29.494  ?       ?       0.000000       29.49425 
1 1 1 -14 8  37 o 96.319   29.314  122.850    53.710  122.850    53.710  0.0000     0.0000  96.319  29.314  ?       ?       0.000000       29.31371 
1 1 1 -14 8  38 o 86.345   27.740  96.631     47.438  96.631     47.438  0.0000     0.0000  86.345  27.740  ?       ?       0.000000       27.73989 
1 1 1 -14 9  1  o 82.029   15.466  68.384     21.340  71.391     28.871  64.764     31.684  79.543  20.617  73.923  22.518  5.620110       30.53079 
1 1 1 -14 9  2  o 121.920  13.437  144.484    28.131  154.406    36.480  129.930    44.182  121.845 17.662  103.625 24.758  18.22048       30.41177 
1 1 1 -14 9  3  o 44.786   15.634  19.171     15.037  31.760     23.038  9.8264     19.848  55.028  19.343  40.933  16.962  14.09536       25.72691 
1 1 1 -14 9  4  o 102.561  16.734  107.674    28.934  109.711    44.195  106.146    38.277  93.426  26.091  95.375  23.206  -1.949806      34.91762 
1 1 1 -14 9  5  o 56.768   17.818  33.886     19.665  58.264     35.406  23.011     23.648  69.760  24.010  49.971  19.230  19.78925       30.76124 
1 1 1 -14 9  6  o 32.816   14.044  2.3444     14.325  -62.4015   31.517  19.204     16.083  30.687  15.243  45.235  16.134  -14.54820      22.19568 
1 1 1 -14 9  7  o 79.607   26.532  80.925     43.210  80.925     43.210  0.0000     0.0000  79.607  26.532  ?       ?       0.000000       26.53242 
1 1 1 -14 9  8  o 60.695   19.780  39.767     24.065  39.767     24.065  0.0000     0.0000  60.695  19.780  ?       ?       0.000000       19.78007 
1 1 1 -14 9  9  o 62.629   19.967  42.645     24.614  42.645     24.614  0.0000     0.0000  62.629  19.967  ?       ?       0.000000       19.96692 
1 1 1 -14 9  10 f 100.158  13.477  97.114     22.971  113.303    30.742  76.646     34.566  105.135 17.352  81.056  23.228  24.07961       28.99335 
1 1 1 -14 9  11 f 105.371  17.908  114.762    31.769  105.955    51.384  120.212    40.421  88.890  28.900  102.690 23.102  -13.80017      36.99909 
1 1 1 -14 9  12 o 119.153  17.149  144.401    34.650  127.414    52.926  157.144    45.840  98.313  28.908  118.014 23.073  -19.70113      36.98706 
1 1 1 -14 9  13 o 190.562  17.531  369.132    57.678  322.292    85.212  408.739    78.358  153.807 32.734  189.164 24.284  -35.35683      40.75868 
1 1 1 -14 9  14 o 242.827  18.908  611.632    79.539  522.579    115.153 692.883    109.994 190.141 36.003  241.095 26.570  -50.95482      44.74552 
1 1 1 -14 9  15 o 89.735   18.330  84.276     27.749  84.276     27.749  0.0000     0.0000  89.735  18.330  ?       ?       0.000000       18.32995 
1 1 1 -14 9  16 o 64.083   19.119  44.051     23.015  44.051     23.015  0.0000     0.0000  64.083  19.119  ?       ?       0.000000       19.11903 
1 1 1 -14 9  17 o 103.392  16.748  108.347    29.201  108.347    29.201  0.0000     0.0000  103.392 16.748  ?       ?       0.000000       16.74798 
1 1 1 -14 9  18 o 46.597   16.390  20.602     16.542  11.973     26.968  25.807     20.945  46.207  19.502  51.327  18.401  -5.120537      26.81223 
1 1 1 -14 9  19 o 44.031   16.065  17.422     16.056  5.1910     26.760  24.301     20.069  43.314  18.867  50.118  18.007  -6.803989      26.08141 
1 1 1 -14 9  20 o 33.580   13.855  5.2248     13.161  15.258     23.804  0.8073     15.794  46.167  18.792  33.433  14.529  12.73432       23.75383 
1 1 1 -14 9  21 o 69.258   15.326  48.411     18.043  47.752     24.285  49.223     26.957  66.319  19.605  66.650  20.852  -0.3308029     28.62122 
1 1 1 -14 9  22 o 76.804   13.967  58.016     18.040  73.924     24.020  37.432     27.323  84.953  16.789  59.212  21.039  25.74052       26.91652 
1 1 1 -14 9  23 o 34.317   13.271  8.4137     11.306  13.436     15.339  2.4388     16.730  40.736  15.532  35.049  15.092  5.686813       21.65702 
1 1 1 -14 9  24 o 82.446   18.133  71.549     25.394  64.425     41.923  75.677     31.916  72.096  26.012  81.594  21.930  -9.497864      34.02268 
1 1 1 -14 9  25 o 36.073   16.925  -17.3192   26.980  -17.3192   26.980  0.0000     0.0000  36.073  16.925  ?       ?       0.000000       16.92472 
1 1 1 -14 9  26 o 42.627   15.635  16.173     15.237  -2.8346    33.717  21.051     17.081  44.286  20.098  46.912  16.638  -2.626328      26.09141 
1 1 1 -14 9  27 o 32.045   12.464  7.0231     10.017  -3.9538    16.409  13.544     12.647  31.660  14.226  39.340  14.272  -7.679811      20.15157 
1 1 1 -14 9  28 o 40.753   13.139  15.863     10.635  25.833     17.725  10.255     13.294  50.560  16.994  37.071  14.375  13.48907       22.25801 
1 1 1 -14 9  29 o 33.485   13.738  5.7186     12.847  5.7186     12.847  0.0000     0.0000  33.485  13.738  ?       ?       0.000000       13.73764 
1 1 1 -14 9  30 o 103.600  18.126  112.965    31.594  112.965    31.594  0.0000     0.0000  103.600 18.126  ?       ?       0.000000       18.12602 
1 1 1 -14 9  31 o 56.485   18.520  34.103     21.085  34.103     21.085  0.0000     0.0000  56.485  18.520  ?       ?       0.000000       18.51990 
1 1 1 -14 9  32 o 76.058   19.845  64.541     26.632  64.541     26.632  0.0000     0.0000  76.058  19.845  ?       ?       0.000000       19.84468 
1 1 1 -14 9  33 o 52.856   18.818  29.156     21.871  29.156     21.871  0.0000     0.0000  52.856  18.818  ?       ?       0.000000       18.81846 
1 1 1 -14 10 1  o 29.820   13.738  -6.7436    16.549  -17.4891   17.968  53.364     42.496  27.611  13.202  61.307  25.049  -33.69642      28.31531 
1 1 1 -14 10 2  o 76.924   22.139  75.317     31.339  21.054     41.928  144.007    47.174  51.069  22.859  101.299 26.402  -50.22926      34.92266 
1 1 1 -14 10 3  o 60.035   19.117  42.263     22.568  35.095     26.433  61.543     43.351  54.753  20.497  64.882  25.718  -10.12971      32.88686 
1 1 1 -14 10 4  o 114.865  15.539  137.793    30.366  120.780    35.271  186.518    59.692  101.443 20.616  109.265 30.254  -7.821075      36.61018 
1 1 1 -14 10 5  o 29.315   13.264  -3.7556    14.555  -14.3045   26.190  0.9589     17.508  35.112  16.537  34.019  15.024  1.092903       22.34279 
1 1 1 -14 10 6  o 37.010   15.557  7.5383     17.049  53.648     32.680  -9.7034    19.984  64.351  22.994  31.941  14.847  32.40983       27.37043 
1 1 1 -14 10 7  o 42.645   16.720  16.122     18.139  -4.0980    36.872  22.578     20.835  43.553  20.219  47.418  18.097  -3.864620      27.13468 
1 1 1 -14 10 8  o 49.701   17.561  26.292     19.011  73.173     39.174  11.850     21.743  72.499  25.238  41.921  17.592  30.57798       30.76409 
1 1 1 -14 10 9  f 46.146   15.861  21.833     15.448  15.621     22.688  27.203     21.092  44.241  18.216  50.494  18.414  -6.253342      25.90164 
1 1 1 -14 10 10 o 27.516   12.382  -3.2198    12.485  -0.3166    18.563  -5.6181    16.872  34.435  15.326  30.837  14.080  3.598715       20.81190 
1 1 1 -14 10 11 o 56.376   16.086  34.083     16.613  31.316     24.560  36.416     22.556  53.329  19.798  56.675  19.169  -3.345573      27.55785 
1 1 1 -14 10 12 o 24.740   11.408  -6.5536    11.450  -1.7445    17.179  -10.3983   15.360  32.746  14.646  27.585  12.887  5.161018       19.50822 
1 1 1 -14 10 13 o 65.793   16.734  46.815     19.269  33.885     25.148  65.201     29.987  54.936  20.096  72.955  21.837  -18.01807      29.67636 
1 1 1 -14 10 14 o 94.551   11.739  86.551     18.963  90.656     22.444  76.310     35.448  94.971  13.950  76.655  23.899  18.31638       27.67304 
1 1 1 -14 10 15 o 59.869   18.642  40.437     21.575  40.437     21.575  0.0000     0.0000  59.869  18.642  ?       ?       0.000000       18.64207 
1 1 1 -14 10 16 o 130.260  13.419  168.017    30.084  168.017    30.084  0.0000     0.0000  130.260 13.419  ?       ?       0.000000       13.41907 
1 1 1 -14 10 17 o 34.101   14.846  2.2504     16.547  2.2504     16.547  0.0000     0.0000  34.101  14.846  ?       ?       0.000000       14.84581 
1 1 1 -14 10 18 o 59.265   13.635  35.768     13.816  28.192     16.992  50.548     23.735  51.425  16.611  66.352  19.316  -14.92754      25.47602 
1 1 1 -14 10 19 o 74.817   14.353  57.155     18.068  54.104     23.735  61.359     27.861  68.892  19.078  71.658  20.947  -2.766014      28.33315 
1 1 1 -14 10 20 o 87.684   14.365  78.080     21.231  66.447     27.805  94.347     32.881  75.036  20.597  89.215  21.386  -14.17896      29.69133 
1 1 1 -14 10 21 o 87.465   14.966  78.635     22.035  58.334     28.599  108.291    34.566  69.218  21.448  96.088  21.174  -26.86950      30.13896 
1 1 1 -14 10 22 o 54.282   13.895  30.320     13.226  22.417     16.748  43.413     21.557  46.792  16.488  61.942  18.509  -15.14995      24.78788 
1 1 1 -14 10 23 o 35.794   13.058  11.325     10.607  9.6161     16.015  12.660     14.157  37.686  15.385  38.676  14.880  -0.9901962     21.40370 
1 1 1 -14 10 24 o 48.198   17.250  24.196     18.400  0.0000     0.0000  24.196     18.400  ?       ?       48.198  17.250  0.000000       17.25008 
1 1 1 -14 10 25 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -14 10 26 o 40.120   13.785  15.662     11.670  13.390     17.834  17.363     15.432  40.821  16.390  42.548  15.714  -1.726921      22.70604 
1 1 1 -14 11 1  o 118.593  15.198  156.164    30.747  112.225    54.313  176.886    37.299  69.356  28.326  121.024 18.215  -51.66824      33.67723 
1 1 1 -14 11 2  o 56.340   17.278  38.966     18.614  -15.1735   37.933  56.137     21.363  38.423  18.576  67.557  17.845  -29.13400      25.75864 
1 1 1 -14 11 3  o 33.708   13.484  9.3135     12.021  -5.6319    19.198  18.952     15.417  31.366  14.571  41.868  15.658  -10.50252      21.38869 
1 1 1 -14 11 4  f 31.819   12.991  7.1575     11.419  25.723     18.244  -4.8002    14.642  46.786  17.117  28.079  12.930  18.70745       21.45151 
1 1 1 -14 11 5  o 25.385   11.317  -1.0526    10.167  3.8362     17.862  -3.3959    12.366  34.268  15.153  26.539  12.093  7.729187       19.38703 
1 1 1 -14 11 6  o 18.059   8.6552  -9.4093    7.8245  -10.1582   14.361  -9.0931    9.3309  25.860  12.200  20.398  9.6851  5.462570       15.57683 
1 1 1 -14 11 7  o 44.109   16.594  21.443     17.366  -86.3403   41.005  45.002     19.171  31.213  15.762  61.437  17.193  -30.22440      23.32450 
1 1 1 -14 11 8  o 28.924   12.558  2.0791     11.777  49.736     37.483  -3.1410    12.405  56.699  23.387  26.777  12.167  29.92245       26.36282 
1 1 1 -14 11 9  o ?        ?       -21.5330   3.8873  -39.2114   33.979  -21.2985   3.9130  33.360  16.433  ?       ?       0.000000       16.43346 
1 1 1 -14 11 10 o 74.357   14.888  60.259     18.655  60.596     29.377  60.031     24.150  65.501  21.878  69.088  19.284  -3.587341      29.16386 
1 1 1 -14 11 11 o 48.601   13.890  25.582     12.376  27.463     16.019  22.795     19.495  49.010  16.146  45.372  17.460  3.637531       23.78091 
1 1 1 -14 11 12 o 73.286   12.959  55.722     15.976  59.135     19.873  49.485     26.864  72.445  16.125  60.359  20.906  12.08542       26.40232 
1 1 1 -13 0  1  o 121.721  29.750  152.071    54.771  152.071    54.771  152.071    54.771  121.721 29.750  121.721 29.750  -0.000000      0.000000 
1 1 1 -13 0  2  o 103.402  30.555  116.081    47.967  116.081    47.967  116.081    47.967  103.402 30.555  103.402 30.555  -0.000000      0.000000 
1 1 1 -13 0  3  o 135.852  15.156  167.754    34.806  167.754    34.806  167.754    34.806  135.852 15.156  135.852 15.156  0.000000       0.000000 
1 1 1 -13 0  4  o 21.903   14.985  -11.6737   18.120  -11.6737   18.120  -11.6737   18.120  21.903  14.985  21.903  14.985  -0.000000      0.000000 
1 1 1 -13 0  5  o 300.179  17.444  799.406    90.722  799.406    90.722  799.406    90.722  300.179 17.444  300.179 17.444  0.000000       0.000000 
1 1 1 -13 0  6  o 101.467  17.759  98.209     28.579  98.209     28.579  98.209     28.579  101.467 17.759  101.467 17.759  0.000000       0.000000 
1 1 1 -13 0  7  o 112.456  16.768  118.088    30.769  118.088    30.769  118.088    30.769  112.456 16.768  112.456 16.768  0.000000       0.000000 
1 1 1 -13 0  8  o 46.025   22.278  27.447     20.880  27.447     20.880  27.447     20.880  46.025  22.278  46.025  22.278  0.000000       0.000000 
1 1 1 -13 0  9  o 329.885  17.765  964.520    101.650 964.520    101.650 964.520    101.650 329.885 17.765  329.885 17.765  -0.000000      0.000000 
1 1 1 -13 0  10 o 274.651  16.555  669.477    78.732  669.477    78.732  669.477    78.732  274.651 16.555  274.651 16.555  -0.000000      0.000000 
1 1 1 -13 0  11 f 26.406   16.207  4.9238     14.402  4.9238     14.402  4.9238     14.402  26.406  16.207  26.406  16.207  0.000000       0.000000 
1 1 1 -13 0  12 f 122.703  16.452  139.069    33.470  139.069    33.470  139.069    33.470  122.703 16.452  122.703 16.452  -0.000000      0.000000 
1 1 1 -13 0  13 o 254.462  16.375  575.599    72.064  575.599    72.064  575.599    72.064  254.462 16.375  254.462 16.375  -0.000000      0.000000 
1 1 1 -13 0  14 o 9.3924   6.9265  -25.9596   8.3544  -25.9596   8.3544  -25.9596   8.3544  9.3924  6.9265  9.3924  6.9265  -0.000000      0.000000 
1 1 1 -13 0  15 o 284.916  14.441  717.537    71.421  717.537    71.421  717.537    71.421  284.916 14.441  284.916 14.441  -0.000000      0.000000 
1 1 1 -13 0  16 o 554.019  22.837  2726.21    220.062 2726.21    220.062 2726.21    220.062 554.019 22.837  554.019 22.837  0.000000       0.000000 
1 1 1 -13 0  17 f 218.768  16.158  427.221    60.949  427.221    60.949  427.221    60.949  218.768 16.158  218.768 16.158  -0.000000      0.000000 
1 1 1 -13 0  18 f ?        ?       -168.2260  6.9218  -168.2260  6.9218  -168.2260  6.9218  ?       ?       ?       ?       -0.000000      0.000000 
1 1 1 -13 0  19 o ?        ?       -198.0008  6.8774  -198.0008  6.8774  -198.0008  6.8774  ?       ?       ?       ?       -0.000000      0.000000 
1 1 1 -13 0  20 o 116.026  19.775  128.316    36.568  128.316    36.568  128.316    36.568  116.026 19.775  116.026 19.775  0.000000       0.000000 
1 1 1 -13 0  21 o 186.374  16.179  312.185    51.738  312.185    51.738  312.185    51.738  186.374 16.179  186.374 16.179  -0.000000      0.000000 
1 1 1 -13 0  22 o 67.781   30.729  59.461     39.248  59.461     39.248  59.461     39.248  67.781  30.729  67.781  30.729  -0.000000      0.000000 
1 1 1 -13 0  23 o 34.517   20.603  11.257     21.945  11.257     21.945  11.257     21.945  34.517  20.603  34.517  20.603  -0.000000      0.000000 
1 1 1 -13 0  24 o 48.151   24.110  30.306     24.792  30.306     24.792  30.306     24.792  48.151  24.110  48.151  24.110  0.000000       0.000000 
1 1 1 -13 0  25 o 258.894  24.841  612.615    109.918 612.615    109.918 612.615    109.918 258.894 24.841  258.894 24.841  0.000000       0.000000 
1 1 1 -13 0  26 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -13 0  27 o 349.541  19.435  1091.22    117.775 1091.22    117.775 1091.22    117.775 349.541 19.435  349.541 19.435  0.000000       0.000000 
1 1 1 -13 0  28 o 426.557  21.719  1629.95    160.805 1629.95    160.805 1629.95    160.805 426.557 21.719  426.557 21.719  0.000000       0.000000 
1 1 1 -13 0  29 o 202.527  14.728  366.929    51.451  366.929    51.451  366.929    51.451  202.527 14.728  202.527 14.728  0.000000       0.000000 
1 1 1 -13 0  30 o 205.400  15.631  378.615    55.313  378.615    55.313  378.615    55.313  205.400 15.631  205.400 15.631  0.000000       0.000000 
1 1 1 -13 0  31 o 277.809  16.835  690.211    80.976  690.211    80.976  690.211    80.976  277.809 16.835  277.809 16.835  0.000000       0.000000 
1 1 1 -13 0  32 o 449.414  22.264  1820.83    173.732 1820.83    173.732 1820.83    173.732 449.414 22.264  449.414 22.264  0.000000       0.000000 
1 1 1 -13 0  33 o 129.450  15.152  153.940    33.021  153.940    33.021  153.940    33.021  129.450 15.152  129.450 15.152  0.000000       0.000000 
1 1 1 -13 0  34 o 66.515   20.809  49.208     21.203  49.208     21.203  49.208     21.203  66.515  20.809  66.515  20.809  0.000000       0.000000 
1 1 1 -13 0  35 o 303.639  17.749  829.176    93.364  829.176    93.364  829.176    93.364  303.639 17.749  303.639 17.749  0.000000       0.000000 
1 1 1 -13 0  36 o 175.954  22.031  291.102    64.812  291.102    64.812  291.102    64.812  175.954 22.031  175.954 22.031  0.000000       0.000000 
1 1 1 -13 0  37 o 95.451   18.580  89.638     27.600  89.638     27.600  89.638     27.600  95.451  18.580  95.451  18.580  0.000000       0.000000 
1 1 1 -13 0  38 o 149.997  15.111  205.795    38.657  205.795    38.657  205.795    38.657  149.997 15.111  149.997 15.111  0.000000       0.000000 
1 1 1 -13 0  39 o 388.259  19.848  1371.08    133.751 1371.08    133.751 1371.08    133.751 388.259 19.848  388.259 19.848  0.000000       0.000000 
1 1 1 -13 0  40 o 235.855  15.987  503.812    65.143  503.812    65.143  503.812    65.143  235.855 15.987  235.855 15.987  0.000000       0.000000 
1 1 1 -13 0  41 o 341.164  18.395  1059.78    108.851 1059.78    108.851 1059.78    108.851 341.164 18.395  341.164 18.395  0.000000       0.000000 
1 1 1 -13 0  42 o 86.907   19.056  76.735     25.314  76.735     25.314  76.735     25.314  86.907  19.056  86.907  19.056  0.000000       0.000000 
1 1 1 -13 0  43 o 25.031   15.469  4.4956     13.326  4.4956     13.326  4.4956     13.326  25.031  15.469  25.031  15.469  0.000000       0.000000 
1 1 1 -13 0  44 o 279.323  16.881  713.571    81.641  713.571    81.641  713.571    81.641  279.323 16.881  279.323 16.881  0.000000       0.000000 
1 1 1 -13 0  45 o 150.441  14.903  209.305    38.266  209.305    38.266  209.305    38.266  150.441 14.903  150.441 14.903  0.000000       0.000000 
1 1 1 -13 0  46 o 143.327  14.633  190.537    35.746  190.537    35.746  190.537    35.746  143.327 14.633  143.327 14.633  0.000000       0.000000 
1 1 1 -13 0  47 f 79.615   21.174  68.913     25.432  68.913     25.432  68.913     25.432  79.615  21.174  79.615  21.174  0.000000       0.000000 
1 1 1 -13 0  48 o 21.309   14.005  -1.5557    13.170  -1.5557    13.170  -1.5557    13.170  21.309  14.005  21.309  14.005  0.000000       0.000000 
1 1 1 -13 0  49 o 113.706  17.810  126.905    32.771  126.905    32.771  126.905    32.771  113.706 17.810  113.706 17.810  0.000000       0.000000 
1 1 1 -13 0  50 o 247.035  17.292  573.596    73.750  573.596    73.750  573.596    73.750  247.035 17.292  247.035 17.292  0.000000       0.000000 
1 1 1 -13 0  51 o 12.274   8.8517  -17.0312   9.5851  -17.0312   9.5851  -17.0312   9.5851  12.274  8.8517  12.274  8.8517  0.000000       0.000000 
1 1 1 -13 0  52 f 16.836   11.723  -10.5298   12.351  -10.5298   12.351  -10.5298   12.351  16.836  11.723  16.836  11.723  0.000000       0.000000 
1 1 1 -13 0  53 o 122.925  25.715  165.893    48.632  165.893    48.632  165.893    48.632  122.925 25.715  122.925 25.715  0.000000       0.000000 
1 1 1 -13 0  54 o 50.645   24.815  38.457     26.033  38.457     26.033  38.457     26.033  50.645  24.815  50.645  24.815  0.000000       0.000000 
1 1 1 -13 0  55 o 34.177   20.142  15.163     20.503  15.163     20.503  15.163     20.503  34.177  20.142  34.177  20.142  0.000000       0.000000 
1 1 1 -13 0  56 o 178.364  24.833  344.203    73.052  344.203    73.052  344.203    73.052  178.364 24.833  178.364 24.833  0.000000       0.000000 
1 1 1 -13 0  57 o 44.795   21.833  29.927     20.108  29.927     20.108  29.927     20.108  44.795  21.833  44.795  21.833  0.000000       0.000000 
1 1 1 -13 0  58 f 295.887  18.654  875.433    95.496  875.433    95.496  875.433    95.496  295.887 18.654  295.887 18.654  0.000000       0.000000 
1 1 1 -13 1  1  o 30.617   13.221  -1.4395    12.910  8.7544     16.520  -17.4338   20.693  40.731  15.960  32.794  15.197  7.937054       22.03779 
1 1 1 -13 1  2  o 53.655   16.292  25.633     16.604  4.2031     24.783  43.087     22.366  45.286  18.876  68.468  18.340  -23.18153      26.31832 
1 1 1 -13 1  3  o 134.476  12.476  160.488    28.961  140.723    47.594  172.109    36.495  123.450 22.924  138.749 15.320  -15.29913      27.57166 
1 1 1 -13 1  4  o 332.304  14.017  973.781    81.329  866.607    139.946 1028.44    99.937  308.671 26.214  340.761 16.796  -32.08994      31.13316 
1 1 1 -13 1  5  o 192.787  12.060  328.122    40.393  268.939    68.636  359.482    49.962  171.669 23.516  201.386 14.301  -29.71713      27.52342 
1 1 1 -13 1  6  o 360.013  14.623  1143.67    91.923  1078.34    158.728 1176.63    112.755 344.478 26.595  364.259 17.728  -19.78094      31.96249 
1 1 1 -13 1  7  o 103.596  12.902  95.892     22.832  84.841     38.714  101.785    28.273  95.442  23.409  106.223 15.718  -10.78077      28.19654 
1 1 1 -13 1  8  o 227.238  12.493  455.616    49.379  437.612    85.058  464.768    60.645  220.119 22.445  228.930 15.259  -8.810257      27.14031 
1 1 1 -13 1  9  o 24.166   11.326  -12.3301   12.028  -40.1586   17.670  11.703     16.421  23.573  11.657  42.676  16.118  -19.10349      19.89171 
1 1 1 -13 1  10 o 304.225  12.287  813.954    65.266  821.513    93.545  806.784    91.103  303.955 17.703  301.305 17.391  2.650269       24.81557 
1 1 1 -13 1  11 o 186.833  11.770  307.980    38.201  243.758    56.319  362.705    51.988  164.361 20.039  202.227 14.827  -37.86629      24.92798 
1 1 1 -13 1  12 o 146.594  12.279  190.278    31.140  168.320    46.252  208.483    42.116  136.166 20.054  152.781 16.026  -16.61497      25.67126 
1 1 1 -13 1  13 o 355.324  12.310  1110.33    76.375  1212.55    109.666 1014.06    106.428 370.110 16.970  337.681 18.117  32.42972       24.82305 
1 1 1 -13 1  14 o 337.209  18.351  1011.74    107.644 0.0000     0.0000  1011.74    107.644 ?       ?       337.209 18.351  0.000000       18.35121 
1 1 1 -13 1  15 o 392.611  15.382  1361.19    105.444 1784.98    183.779 1153.22    128.744 445.547 23.708  359.202 20.613  86.34509       31.41653 
1 1 1 -13 1  16 o 349.797  13.731  1078.07    83.866  1604.04    147.858 828.589    101.831 424.534 19.947  304.758 19.235  119.7758       27.71024 
1 1 1 -13 1  17 o 29.807   13.491  -8.4228    15.070  -140.3334  40.768  12.455     16.219  30.572  15.471  43.055  16.068  -12.48359      22.30532 
1 1 1 -13 1  18 o 23.802   11.621  -29.6171   15.861  -138.4225  30.075  12.301     18.667  ?       ?       44.808  17.123  0.000000       17.12256 
1 1 1 -13 1  19 o 78.456   17.643  56.687     23.583  63.882     40.397  52.967     29.046  83.791  25.405  75.915  21.134  7.875732       33.04657 
1 1 1 -13 1  20 o 160.737  12.446  228.672    34.658  180.063    57.289  256.732    43.527  139.658 24.380  169.910 14.820  -30.25269      28.53125 
1 1 1 -13 1  21 o 247.206  13.169  539.815    56.638  529.618    96.765  545.129    69.854  241.924 23.192  247.677 16.243  -5.753189      28.31385 
1 1 1 -13 1  22 o 220.200  16.137  431.355    61.611  0.0000     0.0000  431.355    61.611  ?       ?       220.200 16.137  0.000000       16.13652 
1 1 1 -13 1  23 o 45.860   18.820  6.5553     24.120  0.0000     0.0000  6.5553     24.120  ?       ?       45.860  18.820  0.000000       18.81997 
1 1 1 -13 1  24 o 262.902  16.634  615.013    75.963  0.0000     0.0000  615.013    75.963  ?       ?       262.902 16.634  0.000000       16.63367 
1 1 1 -13 1  25 o 117.057  16.116  123.565    32.067  107.009    43.969  142.376    46.867  106.945 24.121  124.173 22.442  -17.22775      32.94661 
1 1 1 -13 1  26 o 257.684  13.645  587.662    61.175  632.647    74.665  495.792    106.702 266.692 16.110  232.082 26.825  34.60980       31.29097 
1 1 1 -13 1  27 o 299.206  13.758  790.641    71.877  761.643    88.011  848.719    124.553 292.205 17.327  305.851 23.503  -13.64548      29.19943 
1 1 1 -13 1  28 o 75.449   14.440  51.989     18.330  58.982     22.414  37.871     31.849  80.073  16.577  66.997  22.778  13.07610       28.17159 
1 1 1 -13 1  29 o 231.911  12.964  476.217    52.287  512.634    64.035  403.361    90.573  239.976 15.363  209.220 25.308  30.75613       29.60584 
1 1 1 -13 1  30 o 319.981  14.706  907.315    82.162  975.287    100.591 771.072    142.413 330.302 17.504  287.876 28.715  42.42612       33.62987 
1 1 1 -13 1  31 o 104.911  12.456  98.490     22.371  108.393    27.339  78.419     38.920  109.650 14.645  91.226  24.081  18.42331       28.18451 
1 1 1 -13 1  32 o 136.763  12.088  166.358    28.570  182.801    35.034  133.716    49.362  142.927 14.227  119.079 24.556  23.84812       28.38025 
1 1 1 -13 1  33 o 29.905   12.452  1.7607     10.770  15.384     13.310  -24.0755   18.329  43.246  14.725  28.085  13.402  15.16073       19.91091 
1 1 1 -13 1  34 o 59.814   15.343  33.051     16.102  33.534     19.521  32.023     28.480  60.514  17.489  62.077  21.524  -1.562740      27.73385 
1 1 1 -13 1  35 o 76.333   14.108  53.333     18.110  45.966     22.085  68.455     31.643  70.240  17.943  85.225  21.318  -14.98448      27.86402 
1 1 1 -13 1  36 o 104.785  12.745  98.674     22.839  104.557    27.853  86.599     39.904  107.263 15.305  95.271  24.000  11.99234       28.46463 
1 1 1 -13 1  37 f 64.872   15.467  39.066     17.272  41.836     20.694  32.704     31.361  66.998  17.499  63.374  22.537  3.624222       28.53300 
1 1 1 -13 1  38 o 162.052  12.500  234.282    35.095  245.579    42.663  210.637    61.723  165.190 14.953  149.150 24.555  16.03960       28.75001 
1 1 1 -13 1  39 o 127.839  16.220  148.890    35.391  191.463    47.949  97.939     52.455  143.959 19.584  100.015 28.599  43.94379       34.66186 
1 1 1 -13 1  40 f 152.253  15.744  210.170    41.251  244.358    56.314  170.583    60.597  162.410 20.302  132.302 27.142  30.10849       33.89444 
1 1 1 -13 1  41 o 147.405  14.838  196.570    37.671  173.251    51.196  224.102    55.629  135.302 22.458  154.879 21.121  -19.57681      30.82957 
1 1 1 -13 1  42 o 84.578   16.634  66.715     23.690  53.523     31.122  84.889     36.530  75.123  22.190  93.828  22.572  -18.70471      31.65294 
1 1 1 -13 1  43 o 216.196  12.420  417.916    46.689  370.999    80.575  441.631    57.287  197.551 23.841  221.125 14.925  -23.57468      28.12738 
1 1 1 -13 1  44 o 149.703  11.974  200.882    31.036  222.580    53.581  189.927    38.073  154.018 20.428  144.341 15.342  9.677551       25.54758 
1 1 1 -13 1  45 f 106.948  12.341  103.420    22.622  100.873    38.975  104.714    27.781  101.908 22.505  106.648 15.362  -4.739906      27.24799 
1 1 1 -13 1  46 o 203.261  12.529  371.090    44.250  427.821    76.522  342.589    54.238  213.260 20.815  193.457 16.206  19.80324       26.38013 
1 1 1 -13 1  47 o 87.799   12.860  70.511     19.130  69.944     32.323  70.817     23.732  84.605  21.758  86.900  16.238  -2.294434      27.14903 
1 1 1 -13 1  48 o 201.831  12.697  367.204    44.516  395.451    76.760  352.889    54.644  203.357 21.967  195.980 16.111  7.376358       27.24196 
1 1 1 -13 1  49 o 29.206   12.020  2.6666     9.8725  10.463     14.580  -3.9352    13.416  39.669  15.139  29.525  13.090  10.14401       20.01326 
1 1 1 -13 1  50 o 97.991   12.768  87.830     21.327  90.162     36.681  86.639     26.213  95.320  22.415  96.034  16.210  -0.7147369     27.66244 
1 1 1 -13 1  51 o 45.282   13.683  18.813     11.733  19.612     21.381  18.469     14.034  50.039  18.493  45.715  15.115  4.324406       23.88475 
1 1 1 -13 1  52 o 99.243   12.549  90.171     21.260  89.989     36.039  90.268     26.330  94.964  22.142  97.965  15.941  -3.000870      27.28357 
1 1 1 -13 1  53 o 87.754   11.128  70.115     16.667  76.682     23.094  62.976     24.079  90.347  15.178  80.789  17.570  9.558525       23.21787 
1 1 1 -13 1  54 o 54.848   15.315  28.576     15.229  28.952     17.652  27.479     30.115  55.345  16.796  58.075  21.851  -2.730141      27.56090 
1 1 1 -13 1  55 o 29.882   12.643  1.2226     11.380  3.0154     12.798  -5.5489    24.872  32.645  13.582  39.876  17.744  -7.230904      22.34577 
1 1 1 -13 1  56 f 121.562  12.415  135.414    25.981  129.111    31.502  148.822    45.946  116.993 15.827  121.498 22.486  -4.505692      27.49774 
1 1 1 -13 1  57 o 50.491   15.133  24.078     14.394  20.426     23.621  26.236     18.154  51.032  19.318  52.970  17.176  -1.938164      25.84929 
1 1 1 -13 1  58 o 30.618   12.987  1.3070     12.058  15.447     20.511  -6.1596    14.905  46.343  17.888  29.929  13.493  16.41397       22.40606 
1 1 1 -13 2  1  o 214.716  10.853  406.208    40.557  351.868    56.588  463.607    58.158  198.581 16.469  228.597 14.648  -30.01627      22.04012 
1 1 1 -13 2  2  o 124.659  11.589  137.839    24.937  78.402     33.684  209.923    37.095  91.822  21.405  153.614 13.983  -61.79203      25.56734 
1 1 1 -13 2  3  o ?        ?       -78.4101   7.0326  -238.0780  28.667  -68.1854   7.2543  ?       ?       ?       ?       0.000000       ?        
1 1 1 -13 2  4  o 177.588  11.577  278.490    35.703  231.689    50.290  326.046    50.695  160.478 18.273  191.452 15.293  -30.97391      23.82808 
1 1 1 -13 2  5  o ?        ?       -80.8141   4.7122  -63.9425   6.1845  -104.1655  7.2758  ?       ?       ?       ?       0.000000       ?        
1 1 1 -13 2  6  o 112.071  13.379  112.218    25.663  61.327     36.050  164.500    36.539  81.723  23.810  135.506 15.736  -53.78233      28.54011 
1 1 1 -13 2  7  o 35.947   15.004  2.2929     15.692  32.699     21.080  -35.4939   23.499  60.469  18.356  30.722  14.795  29.74687       23.57602 
1 1 1 -13 2  8  o 158.078  15.023  222.641    40.967  -78.8217   78.471  335.592    48.033  60.757  28.618  194.530 14.240  -133.7726      31.96546 
1 1 1 -13 2  9  o ?        ?       -67.7308   9.6475  0.0000     0.0000  -67.7308   9.6475  ?       ?       ?       ?       0.000000       ?        
1 1 1 -13 2  10 o ?        ?       -170.7514  11.153  0.0000     0.0000  -170.7514  11.153  ?       ?       ?       ?       0.000000       ?        
1 1 1 -13 2  11 o 208.677  23.913  395.943    85.557  0.0000     0.0000  395.943    85.557  ?       ?       208.677 23.913  0.000000       23.91274 
1 1 1 -13 2  12 o 425.145  30.102  1658.40    222.012 0.0000     0.0000  1658.40    222.012 ?       ?       425.145 30.102  0.000000       30.10180 
1 1 1 -13 2  13 o 401.403  17.635  1429.16    123.598 0.0000     0.0000  1429.16    123.598 ?       ?       401.403 17.635  0.000000       17.63474 
1 1 1 -13 2  14 o 369.254  13.892  1202.21    89.566  929.111    153.564 1343.01    110.263 318.843 27.863  389.586 16.209  -70.74350      32.23516 
1 1 1 -13 2  15 o 19.723   9.9189  -46.9565   15.342  0.0000     0.0000  -46.9565   15.342  ?       ?       19.723  9.9189  0.000000       9.918915 
1 1 1 -13 2  16 o ?        ?       -114.3074  7.5703  0.0000     0.0000  -114.3074  7.5703  ?       ?       ?       ?       0.000000       ?        
1 1 1 -13 2  17 o 251.170  12.727  556.845    55.635  499.043    93.787  588.229    69.108  234.749 23.184  257.518 15.441  -22.76862      27.85523 
1 1 1 -13 2  18 o 95.041   13.541  81.177     21.835  57.192     33.471  98.948     28.810  78.976  22.923  104.532 16.317  -25.55550      28.13738 
1 1 1 -13 2  19 o 222.708  14.966  440.147    57.861  363.205    79.716  525.818    84.117  199.839 23.282  242.018 20.087  -42.17920      30.74966 
1 1 1 -13 2  20 o ?        ?       -35.5554   8.7953  14.249     25.781  -42.1154   9.3566  50.990  19.950  ?       ?       0.000000       19.94975 
1 1 1 -13 2  21 o 493.749  16.164  2159.35    139.351 2006.96    240.587 2236.28    170.946 467.357 29.636  500.808 19.549  -33.45050      35.50253 
1 1 1 -13 2  22 o 261.296  12.495  601.366    57.007  647.954    98.286  577.748    69.982  268.266 21.154  254.975 15.797  13.29033       26.40163 
1 1 1 -13 2  23 o 169.806  12.770  255.513    37.584  283.247    63.252  240.378    46.727  176.755 20.899  163.834 16.562  12.92120       26.66566 
1 1 1 -13 2  24 o 277.599  16.629  686.227    80.230  750.624    114.217 623.506    112.721 287.906 22.910  261.334 25.008  26.57245       33.91572 
1 1 1 -13 2  25 f 138.807  12.011  170.944    28.825  187.685    34.966  135.435    50.923  145.103 13.974  120.183 25.078  24.91994       28.70804 
1 1 1 -13 2  26 o 260.878  13.014  600.610    59.280  595.184    72.361  611.682    103.371 258.485 16.113  259.396 23.063  -0.9111633     28.13454 
1 1 1 -13 2  27 o 116.389  12.613  120.871    25.222  125.613    30.153  109.822    46.026  118.179 14.947  107.921 24.927  10.25800       29.06516 
1 1 1 -13 2  28 o 185.838  11.882  305.656    38.353  305.927    65.678  305.516    47.245  183.375 20.885  185.123 14.738  -1.748611      25.56168 
1 1 1 -13 2  29 o 303.326  13.508  813.838    71.540  908.653    123.591 766.060    87.733  316.155 22.536  292.618 17.247  23.53726       28.37861 
1 1 1 -13 2  30 o 252.607  12.808  565.368    56.306  647.387    97.507  524.336    68.966  267.126 21.076  242.100 16.412  25.02679       26.71250 
1 1 1 -13 2  31 o 114.927  11.939  117.819    23.609  139.675    40.808  106.823    28.945  123.244 19.621  108.502 15.738  14.74282       25.15291 
1 1 1 -13 2  32 o 110.735  12.153  109.607    23.111  161.612    39.849  83.249     28.370  133.317 17.545  94.989  17.758  38.32787       24.96315 
1 1 1 -13 2  33 o 268.484  12.880  638.365    60.383  704.015    104.729 605.674    73.903  277.573 21.783  259.914 16.368  17.65924       27.24753 
1 1 1 -13 2  34 o 181.781  12.160  293.626    38.374  341.082    66.458  269.889    47.001  193.256 19.983  173.223 15.711  20.03302       25.41959 
1 1 1 -13 2  35 o 91.514   15.452  76.693     23.811  61.111     32.875  93.885     34.533  80.504  22.510  100.057 20.457  -19.55273      30.41685 
1 1 1 -13 2  36 f 176.809  12.151  278.218    37.285  284.404    45.857  266.152    64.045  177.934 14.897  169.234 22.210  8.700012       26.74318 
1 1 1 -13 2  37 o 183.589  10.271  298.427    32.792  310.786    46.684  286.389    46.073  186.102 14.481  178.454 14.923  7.648087       20.79394 
1 1 1 -13 2  38 o 56.368   13.162  29.377     12.720  29.395     18.729  29.361     17.329  56.854  17.311  56.555  16.517  0.2987938      23.92675 
1 1 1 -13 2  39 o 165.188  10.205  242.023    29.290  258.389    41.964  226.475    40.902  169.450 14.317  158.343 14.972  11.10645       20.71553 
1 1 1 -13 2  40 f 231.393  10.787  474.180    43.585  494.303    62.022  454.547    61.261  234.146 15.254  224.264 15.744  9.882797       21.92154 
1 1 1 -13 2  41 o 117.032  11.176  122.571    22.560  135.321    32.619  110.881    31.234  121.642 15.726  109.551 16.870  12.09126       23.06300 
1 1 1 -13 2  42 o 115.886  10.221  119.813    20.469  106.093    29.241  132.997    28.663  107.277 16.108  121.125 13.799  -13.84790      21.21058 
1 1 1 -13 2  43 o 112.430  10.434  113.015    20.249  103.218    28.743  122.666    28.530  105.701 16.081  115.994 14.396  -10.29326      21.58320 
1 1 1 -13 2  44 o 42.490   13.540  15.966     11.320  11.253     16.376  20.278     15.666  41.772  16.020  48.205  15.971  -6.433681      22.62105 
1 1 1 -13 2  45 o 112.084  10.565  112.594    20.433  106.468    29.419  118.303    28.401  107.116 16.238  113.607 14.659  -6.491692      21.87642 
1 1 1 -13 2  46 o 72.925   12.290  48.826     15.093  46.885     22.270  50.475     20.526  70.050  18.084  73.017  16.490  -2.967743      24.47300 
1 1 1 -13 2  47 o 116.618  13.029  123.723    26.077  119.338    32.156  132.147    44.568  113.039 16.803  116.150 22.790  -3.110725      28.31435 
1 1 1 -13 2  48 o 18.593   8.9843  -13.9242   8.8429  -21.8644   10.550  4.8302     16.214  18.686  9.1956  37.362  15.393  -18.67550      17.93037 
1 1 1 -13 2  49 o 237.461  16.239  520.129    66.926  599.127    94.483  440.578    94.813  249.632 21.898  209.504 26.512  40.12749       34.38610 
1 1 1 -13 2  50 o 81.221   16.963  63.002     23.281  54.867     31.092  73.383     35.123  74.584  22.215  85.523  23.014  -10.93919      31.98707 
1 1 1 -13 2  51 o 131.570  15.259  160.562    34.403  155.189    47.311  166.593    50.118  125.275 22.454  129.533 23.002  -4.258377      32.14399 
1 1 1 -13 2  52 o 141.217  12.078  181.059    29.495  175.950    49.424  183.885    36.758  133.630 21.944  140.788 15.194  -7.157776      26.69075 
1 1 1 -13 2  53 o 87.337   13.515  70.880     19.945  62.663     32.670  75.762     25.181  78.773  22.585  88.992  16.822  -10.21956      28.16104 
1 1 1 -13 2  54 o 51.306   17.523  23.536     18.850  0.0000     0.0000  23.536     18.850  ?       ?       51.306  17.523  0.000000       17.52345 
1 1 1 -13 2  55 o 115.308  15.675  125.302    30.742  0.0000     0.0000  125.302    30.742  ?       ?       115.308 15.675  0.000000       15.67523 
1 1 1 -13 2  56 o 127.788  12.168  149.526    26.821  138.663    45.577  155.281    33.174  116.297 23.257  128.713 15.045  -12.41662      27.69913 
1 1 1 -13 2  57 o 61.125   14.847  35.973     15.689  8.1608     26.012  51.877     19.670  45.993  19.268  73.252  15.840  -27.25908      24.94281 
1 1 1 -13 3  1  o 476.429  15.167  2010.34    126.168 2030.47    178.648 1990.31    178.210 475.383 21.522  470.555 21.690  4.828491       30.55604 
1 1 1 -13 3  2  o 506.763  14.360  2270.63    127.064 2278.34    179.681 2262.91    179.709 504.399 20.402  502.642 20.476  1.756866       28.90501 
1 1 1 -13 3  3  o 499.820  15.380  2212.44    134.226 1354.44    230.486 2652.75    165.113 378.528 35.279  546.267 17.311  -167.7390      39.29715 
1 1 1 -13 3  4  o 513.935  18.281  2352.25    164.044 2988.72    285.273 2037.80    200.512 570.503 28.730  474.238 24.296  96.26480       37.62612 
1 1 1 -13 3  5  o 414.018  15.791  1518.63    114.156 2305.80    199.238 1133.91    139.286 506.346 22.535  354.391 22.627  151.9547       31.93485 
1 1 1 -13 3  6  o 399.550  18.357  1421.29    128.067 1912.91    182.965 949.075    179.317 461.155 22.723  318.508 32.708  142.6466       39.82597 
1 1 1 -13 3  7  o 346.083  14.762  1058.92    89.205  1368.02    156.902 911.282    108.435 389.180 23.195  318.989 19.563  70.19040       30.34316 
1 1 1 -13 3  8  o 255.467  13.533  577.360    60.150  550.823    102.978 591.102    74.105  245.952 24.297  257.665 16.559  -11.71336      29.40296 
1 1 1 -13 3  9  o ?        ?       -201.0065  7.9864  -286.0854  11.460  -120.6624  11.136  ?       ?       ?       ?       0.000000       ?        
1 1 1 -13 3  10 o 75.496   15.234  52.179     19.389  48.252     25.128  57.957     30.481  72.332  19.467  79.126  21.501  -6.794037      29.00451 
1 1 1 -13 3  11 o 189.658  11.046  317.275    36.420  278.306    50.330  360.111    52.768  176.434 16.530  201.238 15.128  -24.80356      22.40763 
1 1 1 -13 3  12 o 124.335  11.561  137.140    24.810  89.450     34.404  188.815    35.813  98.269  20.704  145.543 14.276  -47.27409      25.14881 
1 1 1 -13 3  13 o 73.189   15.147  49.082     18.718  15.346     27.617  77.750     25.458  52.748  20.645  92.345  16.389  -39.59686      26.35938 
1 1 1 -13 3  14 o 199.927  11.003  352.429    38.263  340.959    54.115  363.897    54.109  195.568 15.987  202.215 15.442  -6.647324      22.22676 
1 1 1 -13 3  15 o ?        ?       -46.4502   6.0218  -58.7282   11.052  -41.2661   7.1814  ?       ?       ?       ?       0.000000       ?        
1 1 1 -13 3  16 o 135.392  11.065  162.230    25.930  144.361    37.343  178.867    36.033  126.362 17.386  141.492 14.804  -15.13006      22.83460 
1 1 1 -13 3  17 o 43.105   14.421  15.473     12.764  17.870     20.291  13.904     16.420  49.499  18.060  44.197  16.228  5.302414       24.27966 
1 1 1 -13 3  18 o 303.751  11.166  811.503    59.224  796.835    83.754  826.173    83.756  299.397 16.080  304.973 15.783  -5.575897      22.53131 
1 1 1 -13 3  19 o 396.743  12.722  1387.69    88.133  1427.95    124.868 1347.73    124.410 400.575 17.853  388.966 18.318  11.60947       25.57882 
1 1 1 -13 3  20 f 181.602  10.481  290.816    33.092  288.598    47.368  292.930    46.251  179.920 15.221  181.391 14.730  -1.471680      21.18147 
1 1 1 -13 3  21 o 256.566  10.817  578.917    48.456  538.244    67.451  622.294    69.658  245.892 15.794  264.667 15.136  -18.77443      21.87554 
1 1 1 -13 3  22 o 210.642  10.800  391.286    39.587  350.937    54.939  434.861    57.092  198.245 16.008  221.129 14.873  -22.88400      21.85091 
1 1 1 -13 3  23 o 293.439  13.489  760.822    69.116  816.511    85.019  652.296    118.686 302.804 16.138  266.420 25.838  36.38403       30.46411 
1 1 1 -13 3  24 o 357.735  12.688  1129.58    79.250  1195.98    91.660  932.960    157.732 367.564 14.282  316.930 28.818  50.63428       32.16296 
1 1 1 -13 3  25 o 258.334  10.823  587.474    48.819  661.792    56.643  372.817    96.265  273.966 11.841  199.353 28.464  74.61273       30.82840 
1 1 1 -13 3  26 f 427.753  16.107  1627.82    120.302 1876.06    147.465 1133.87    208.015 457.882 18.445  343.844 35.141  114.0386       39.68773 
1 1 1 -13 3  27 f 215.750  10.512  409.808    39.600  464.849    45.981  251.742    77.920  229.600 11.469  162.908 28.427  66.69144       30.65381 
1 1 1 -13 3  28 o 333.395  14.667  986.944    85.380  1076.65    104.634 808.198    147.699 347.097 17.265  293.336 29.226  53.76108       33.94470 
1 1 1 -13 3  29 o 283.005  11.443  706.792    56.545  836.162    80.363  579.948    79.575  306.638 15.010  253.745 18.079  52.89226       23.49727 
1 1 1 -13 3  30 o 376.290  15.537  1261.83    102.082 1282.73    125.317 1220.60    175.995 377.004 19.099  360.948 28.147  16.05664       34.01569 
1 1 1 -13 3  31 o 95.597   13.485  82.600     21.884  69.196     27.740  104.692    35.612  86.062  18.971  106.050 19.965  -19.98820      27.54052 
1 1 1 -13 3  32 o 34.092   12.933  7.3842     10.601  3.3451     14.473  12.059     15.571  35.139  14.517  42.043  15.733  -6.904255      21.40744 
1 1 1 -13 3  33 o 277.603  11.924  682.220    57.798  784.092    71.332  487.490    98.621  296.929 13.758  228.164 25.174  68.76526       28.68842 
1 1 1 -13 3  34 o 157.315  11.195  219.911    30.550  247.729    38.338  171.516    50.567  166.435 13.304  135.276 22.177  31.15901       25.86144 
1 1 1 -13 3  35 o 68.931   14.223  43.869     16.550  44.156     21.615  43.462     25.729  68.680  17.858  68.390  20.169  0.2897873      26.93881 
1 1 1 -13 3  36 o 116.208  11.909  120.977    23.822  124.811    30.037  114.478    39.111  117.196 15.024  110.155 21.103  7.040634       25.90458 
1 1 1 -13 3  37 o 141.967  10.340  179.105    25.454  184.911    36.793  173.776    35.251  142.921 14.966  138.562 14.799  4.359818       21.04716 
1 1 1 -13 3  38 o 134.960  10.753  162.295    25.129  167.013    36.409  158.003    34.725  135.420 15.689  131.778 15.381  3.642105       21.97083 
1 1 1 -13 3  39 o 207.638  10.231  381.592    37.091  418.931    53.161  346.173    51.776  215.781 14.189  195.598 15.281  20.18338       20.85290 
1 1 1 -13 3  40 o 158.403  12.680  225.279    34.777  228.254    42.850  219.537    59.531  158.306 15.709  151.651 23.221  6.654785       28.03587 
1 1 1 -13 3  41 o 114.003  10.821  116.386    21.281  129.508    31.177  104.938    29.120  118.877 15.381  106.560 16.158  12.31691       22.30789 
1 1 1 -13 3  42 o 182.621  12.530  299.493    39.713  287.530    49.318  321.554    66.975  177.329 16.104  184.709 21.148  -7.379410      26.58107 
1 1 1 -13 3  43 o 113.157  10.998  114.986    21.455  96.801     31.428  130.856    29.360  101.192 18.468  119.683 14.335  -18.49079      23.37822 
1 1 1 -13 3  44 o 168.705  11.801  255.535    34.544  275.921    62.618  246.617    41.416  170.126 21.564  164.542 14.566  5.583618       26.02241 
1 1 1 -13 3  45 o 51.630   21.108  12.488     30.200  12.488     30.200  0.0000     0.0000  51.630  21.108  ?       ?       0.000000       21.10840 
1 1 1 -13 3  46 o 170.541  23.675  284.251    68.597  284.251    68.597  0.0000     0.0000  170.541 23.675  ?       ?       0.000000       23.67493 
1 1 1 -13 3  47 o 106.146  25.295  114.479    46.217  114.479    46.217  0.0000     0.0000  106.146 25.295  ?       ?       0.000000       25.29544 
1 1 1 -13 3  48 o 119.898  14.153  132.282    29.058  0.0000     0.0000  132.282    29.058  ?       ?       119.898 14.153  0.000000       14.15303 
1 1 1 -13 3  49 o 196.103  11.710  346.865    39.914  0.0000     0.0000  346.865    39.914  ?       ?       196.103 11.710  0.000000       11.71039 
1 1 1 -13 3  50 o 86.051   12.971  68.420     18.884  0.0000     0.0000  68.420     18.884  ?       ?       86.051  12.971  0.000000       12.97123 
1 1 1 -13 3  51 o 89.123   11.157  72.389     16.982  64.908     33.781  74.919     19.644  80.041  22.970  90.095  12.851  -10.05428      26.32102 
1 1 1 -13 3  52 o 130.732  10.297  153.986    23.315  141.833    46.089  158.166    27.028  118.473 23.110  131.844 11.868  -13.37163      25.97922 
1 1 1 -13 3  53 o 91.219   11.435  76.137     17.813  60.263     34.027  82.130     20.906  76.819  23.322  94.161  13.068  -17.34243      26.73328 
1 1 1 -13 3  54 o 71.917   12.389  48.189     14.995  34.838     28.450  53.324     17.645  61.170  21.496  75.158  13.960  -13.98795      25.63070 
1 1 1 -13 3  55 o 103.067  10.858  96.790     19.247  69.046     37.374  106.803    22.453  81.014  24.407  107.774 12.143  -26.76033      27.26128 
1 1 1 -13 3  56 o 195.167  15.640  358.617    52.850  317.513    74.381  400.529    75.108  174.088 25.203  199.651 21.905  -25.56300      33.39183 
1 1 1 -13 4  1  o 95.625   17.038  83.823     27.405  90.885     35.558  73.490     43.010  98.633  21.272  88.621  26.060  10.01147       33.63991 
1 1 1 -13 4  2  o 371.017  19.303  1237.09    124.620 1249.59    177.521 1224.94    174.985 367.289 27.889  363.724 27.763  3.564636       39.35183 
1 1 1 -13 4  3  o 69.812   21.266  44.252     28.258  2.8885     47.307  67.200     35.235  60.006  25.597  84.740  23.155  -24.73471      34.51609 
1 1 1 -13 4  4  o 152.685  16.211  209.462    42.556  259.991    64.965  171.481    56.324  168.213 22.698  135.408 24.734  32.80534       33.57021 
1 1 1 -13 4  5  o 281.747  13.706  702.045    67.429  688.427    116.551 708.896    82.668  274.157 24.610  281.711 16.884  -7.554443      29.84474 
1 1 1 -13 4  6  o 182.969  12.681  296.858    40.263  284.692    69.481  303.009    49.403  176.031 23.168  184.167 15.507  -8.136154      27.87922 
1 1 1 -13 4  7  o 230.773  10.124  468.187    40.795  365.918    56.940  576.041    58.475  202.299 16.257  255.037 13.176  -52.73820      20.92627 
1 1 1 -13 4  8  o 148.686  10.019  195.179    25.859  173.487    35.397  220.006    37.869  139.193 14.791  157.121 13.948  -17.92860      20.33042 
1 1 1 -13 4  9  o 22.374   10.460  -9.9827    10.152  2.9949     12.335  -37.2378   17.875  32.665  13.438  24.368  11.987  8.296524       18.00763 
1 1 1 -13 4  10 o 114.396  11.686  116.462    23.014  116.491    32.597  116.433    32.495  113.238 17.012  113.222 16.959  0.1632690E-01  24.02163 
1 1 1 -13 4  11 o 238.865  11.063  502.213    46.142  448.745    64.955  556.680    65.559  224.037 16.725  250.181 15.078  -26.14438      22.51860 
1 1 1 -13 4  12 o 95.002   12.811  81.051     20.709  50.369     28.861  113.612    29.731  73.936  21.236  112.142 15.607  -38.20594      26.35413 
1 1 1 -13 4  13 o 128.962  11.422  147.588    25.453  123.425    35.289  173.792    36.749  116.379 17.943  139.179 15.379  -22.80045      23.63146 
1 1 1 -13 4  14 o 218.527  11.041  421.401    41.993  355.152    59.402  487.584    59.372  198.990 17.268  234.207 14.591  -35.21727      22.60671 
1 1 1 -13 4  15 o 94.564   12.346  80.173     19.898  84.808     27.999  75.444     28.283  96.198  17.306  90.338  18.551  5.860168       25.37019 
1 1 1 -13 4  16 o 240.527  11.157  509.416    46.856  522.563    66.241  496.249    66.288  242.104 15.755  235.764 16.201  6.340195       22.59884 
1 1 1 -13 4  17 o 168.533  10.820  251.005    31.670  251.812    45.182  250.226    44.405  167.722 15.607  167.247 15.378  0.4743042      21.91064 
1 1 1 -13 4  18 o 392.483  13.616  1362.60    93.314  1355.02    132.029 1370.17    131.904 388.275 19.537  391.000 19.321  -2.725098      27.47687 
1 1 1 -13 4  19 o 289.513  13.443  741.353    67.954  673.901    82.924  879.258    118.570 274.319 17.403  311.263 21.957  -36.94412      28.01743 
1 1 1 -13 4  20 o 57.918   16.887  30.502     18.128  13.017     22.204  65.453     31.392  47.663  18.551  83.606  21.411  -35.94356      28.32945 
1 1 1 -13 4  21 f 78.293   18.987  57.109     25.689  61.231     37.515  53.468     35.252  81.324  24.443  76.578  23.826  4.745140       34.13412 
1 1 1 -13 4  22 o 264.407  13.702  620.866    63.040  620.866    63.040  0.0000     0.0000  264.407 13.702  ?       ?       0.000000       13.70175 
1 1 1 -13 4  23 f 203.600  12.779  368.027    45.200  368.027    45.200  0.0000     0.0000  203.600 12.779  ?       ?       0.000000       12.77914 
1 1 1 -13 4  24 o 72.814   14.805  48.765     18.182  48.765     18.182  0.0000     0.0000  72.814  14.805  ?       ?       0.000000       14.80526 
1 1 1 -13 4  25 o 167.381  12.895  249.479    37.397  249.479    37.397  0.0000     0.0000  167.381 12.895  ?       ?       0.000000       12.89500 
1 1 1 -13 4  26 o 270.757  13.840  652.492    65.211  652.492    65.211  0.0000     0.0000  270.757 13.840  ?       ?       0.000000       13.83984 
1 1 1 -13 4  27 o 357.604  14.897  1139.17    93.018  1139.17    93.018  0.0000     0.0000  357.604 14.897  ?       ?       0.000000       14.89717 
1 1 1 -13 4  28 o 308.392  11.964  841.626    64.421  902.772    74.544  661.238    128.036 318.857 13.389  264.239 28.185  54.61752       31.20396 
1 1 1 -13 4  29 o 208.501  10.915  385.029    39.598  419.364    56.752  352.456    55.276  216.236 15.126  197.778 16.147  18.45834       22.12573 
1 1 1 -13 4  30 o 150.261  11.534  200.949    30.032  243.203    55.989  183.881    35.584  162.443 20.174  142.911 14.459  19.53175       24.82034 
1 1 1 -13 4  31 o 187.236  11.576  311.605    37.661  379.360    67.576  281.080    45.358  203.645 19.232  176.774 14.832  26.87126       24.28716 
1 1 1 -13 4  32 o 235.447  16.870  501.697    68.892  409.789    98.603  589.354    96.296  206.336 28.099  252.206 22.090  -45.87036      35.74243 
1 1 1 -13 4  33 o 54.182   14.649  27.153     14.190  100.869    30.765  7.2314     15.993  104.372 17.501  38.970  15.566  65.40172       23.42166 
1 1 1 -13 4  34 o 154.308  11.958  212.707    31.967  241.083    57.785  200.193    38.374  160.719 21.101  148.713 14.983  12.00552       25.87950 
1 1 1 -13 4  35 o 31.436   12.661  4.1456     10.679  24.024     25.511  -0.0776    11.759  55.530  20.251  29.809  12.740  25.72036       23.92542 
1 1 1 -13 4  36 o 276.841  13.549  685.572    65.495  686.356    115.334 685.198    79.570  268.607 24.873  274.632 16.672  -6.025085      29.94417 
1 1 1 -13 4  37 o 150.465  11.301  202.265    29.474  251.219    55.063  182.605    34.894  164.301 19.579  141.956 14.271  22.34517       24.22820 
1 1 1 -13 4  38 o 139.427  11.499  174.124    27.745  207.792    52.412  161.016    32.703  148.465 20.788  133.122 14.293  15.34280       25.22787 
1 1 1 -13 4  39 f 131.809  12.404  156.544    28.213  165.441    53.786  153.167    33.137  130.087 24.580  129.478 14.931  0.6095734      28.75982 
1 1 1 -13 4  40 o 131.701  23.691  168.882    52.476  168.882    52.476  0.0000     0.0000  131.701 23.691  ?       ?       0.000000       23.69075 
1 1 1 -13 4  41 o 115.019  15.272  121.899    29.913  121.899    29.913  0.0000     0.0000  115.019 15.272  ?       ?       0.000000       15.27213 
1 1 1 -13 4  42 o 77.110   21.800  58.049     30.657  58.049     30.657  0.0000     0.0000  77.110  21.800  ?       ?       0.000000       21.79976 
1 1 1 -13 4  43 o 108.500  11.736  106.556    21.879  124.382    38.901  98.308     26.460  113.671 20.347  102.959 15.174  10.71175       25.38172 
1 1 1 -13 4  44 o 81.867   12.792  61.683     17.688  88.071     31.283  49.283     21.445  95.512  19.419  71.699  17.323  23.81280       26.02294 
1 1 1 -13 4  45 o 93.597   13.501  80.776     21.426  71.586     27.914  93.956     33.427  85.907  19.104  98.234  20.164  -12.32725      27.77641 
1 1 1 -13 4  46 o 37.740   13.105  11.776     10.559  24.103     16.027  2.3220     14.036  51.156  16.090  33.624  14.123  17.53189       21.40928 
1 1 1 -13 4  47 o 97.254   14.265  87.902     23.503  107.241    35.122  72.218     31.629  104.904 19.903  85.132  21.324  19.77245       29.16895 
1 1 1 -13 4  48 o 147.357  11.008  195.952    28.119  218.011    48.512  184.792    34.507  151.009 18.806  141.593 14.147  9.416412       23.53293 
1 1 1 -13 4  49 o 90.069   12.552  74.780     19.203  94.350     32.855  64.625     23.666  97.932  19.892  81.856  17.109  16.07680       26.23812 
1 1 1 -13 4  50 o 154.309  12.071  216.747    32.264  202.442    55.474  224.059    39.662  141.739 23.219  155.339 14.802  -13.60045      27.53571 
1 1 1 -13 4  51 o 131.370  12.207  157.800    27.680  135.582    47.432  169.273    34.086  114.305 24.502  134.758 14.726  -20.45309      28.58640 
1 1 1 -13 4  52 o 100.828  10.611  92.430     18.400  100.244    36.687  89.804     21.268  99.343  21.753  98.562  12.650  0.7808914      25.16382 
1 1 1 -13 4  53 o 155.551  9.7104  217.796    26.242  173.027    51.677  233.352    30.462  129.394 23.748  160.389 10.943  -30.99510      26.14773 
1 1 1 -13 4  54 o 86.826   10.936  69.154     16.212  68.606     32.391  69.337     18.726  81.244  22.201  86.186  12.835  -4.941917      25.64446 
1 1 1 -13 4  55 o 125.229  9.9855  142.084    21.653  79.464     43.270  163.004    25.009  84.836  26.398  133.780 10.799  -48.94405      28.52088 
1 1 1 -13 5  1  o 147.987  13.162  195.659    33.654  235.397    62.053  179.100    40.057  159.022 23.018  140.566 16.644  18.45610       28.40460 
1 1 1 -13 5  2  o 162.803  12.729  236.109    35.897  216.860    60.493  246.571    44.598  152.389 23.489  165.578 15.610  -13.18864      28.20327 
1 1 1 -13 5  3  o 85.357   19.476  68.195     28.385  0.0000     0.0000  68.195     28.385  ?       ?       85.357  19.476  0.000000       19.47552 
1 1 1 -13 5  4  o 48.773   18.741  14.843     22.441  0.0000     0.0000  14.843     22.441  ?       ?       48.773  18.741  0.000000       18.74118 
1 1 1 -13 5  5  o 30.010   13.660  -9.5529    15.724  -7.5190    27.897  -10.5000   19.036  42.849  18.943  33.364  15.126  9.484852       24.24091 
1 1 1 -13 5  6  o 152.733  12.538  207.707    33.141  200.931    40.688  221.063    57.125  149.337 15.846  154.723 21.745  -5.385803      26.90644 
1 1 1 -13 5  7  o 104.163  13.273  97.610     23.592  96.156     29.003  100.453    40.557  102.494 16.788  103.083 23.105  -0.5888290     28.55961 
1 1 1 -13 5  8  o 126.190  12.918  142.378    28.062  154.257    35.094  121.314    46.731  130.700 15.691  113.120 24.378  17.58020       28.99132 
1 1 1 -13 5  9  f 234.830  13.129  489.858    53.617  445.952    65.860  576.147    92.329  222.698 17.067  251.385 21.233  -28.68671      27.24222 
1 1 1 -13 5  10 o 93.659   14.656  79.720     23.182  90.112     29.143  61.817     38.253  98.970  17.505  81.557  24.720  17.41251       30.29033 
1 1 1 -13 5  11 f 215.396  12.920  412.136    48.367  391.788    59.462  451.927    83.150  208.881 16.436  222.232 21.706  -13.35170      27.22653 
1 1 1 -13 5  12 o 195.585  12.870  340.037    43.707  315.236    54.056  386.864    74.278  187.134 16.720  205.777 20.966  -18.64262      26.81639 
1 1 1 -13 5  13 o 286.277  13.584  726.726    67.900  677.399    83.473  823.198    116.735 274.481 17.508  299.972 22.450  -25.49078      28.47021 
1 1 1 -13 5  14 o 59.619   15.769  32.821     16.667  48.607     21.556  9.3535     26.283  72.288  17.308  48.577  19.757  23.71099       26.26578 
1 1 1 -13 5  15 o 48.096   17.779  16.569     19.763  16.569     19.763  0.0000     0.0000  48.096  17.779  ?       ?       0.000000       17.77878 
1 1 1 -13 5  16 o 89.049   17.986  73.576     27.003  73.576     27.003  0.0000     0.0000  89.049  17.986  ?       ?       0.000000       17.98634 
1 1 1 -13 5  17 o 192.709  14.702  332.271    49.096  332.271    49.096  0.0000     0.0000  192.709 14.702  ?       ?       0.000000       14.70184 
1 1 1 -13 5  18 o 45.581   17.343  13.428     19.100  13.428     19.100  0.0000     0.0000  45.581  17.343  ?       ?       0.000000       17.34302 
1 1 1 -13 5  19 o 129.562  15.565  151.832    34.506  151.832    34.506  0.0000     0.0000  129.562 15.565  ?       ?       0.000000       15.56454 
1 1 1 -13 5  20 o 93.038   13.277  78.295     20.956  76.839     25.669  81.203     36.289  91.285  16.721  92.463  22.655  -1.178017      28.15739 
1 1 1 -13 5  21 o 106.386  12.711  101.713    23.145  92.076     28.361  120.926    40.047  100.077 16.828  113.702 20.943  -13.62556      26.86613 
1 1 1 -13 5  22 f 51.400   15.550  23.828     15.146  24.531     18.508  22.403     26.356  53.067  17.349  55.330  20.516  -2.263138      26.86810 
1 1 1 -13 5  23 o 205.306  10.805  373.370    38.598  361.926    44.557  407.776    77.261  201.566 12.725  210.360 21.329  -8.794556      24.83703 
1 1 1 -13 5  24 o 148.936  10.502  196.839    27.136  208.876    31.347  160.843    54.208  153.122 11.816  129.778 24.827  23.34433       27.49527 
1 1 1 -13 5  25 o 309.678  12.287  850.965    66.441  849.205    76.743  856.234    132.756 308.502 14.247  301.916 25.420  6.586365       29.13972 
1 1 1 -13 5  26 o 166.726  10.731  246.793    31.075  257.606    36.109  215.916    61.015  169.932 12.252  150.988 23.943  18.94379       26.89534 
1 1 1 -13 5  27 o 236.065  10.888  493.205    44.878  498.643    51.946  477.202    89.117  236.495 12.625  226.083 22.890  10.41158       26.14136 
1 1 1 -13 5  28 o 231.101  10.735  472.710    43.316  512.604    50.181  356.093    85.795  240.260 11.962  192.898 26.146  47.36128       28.75264 
1 1 1 -13 5  29 o 262.573  13.225  616.418    60.440  669.840    74.344  512.287    103.795 272.450 15.694  231.539 26.131  40.91109       30.48167 
1 1 1 -13 5  30 o 158.389  10.259  222.870    28.221  245.733    41.216  202.691    38.721  164.989 14.453  149.527 15.035  15.46237       20.85478 
1 1 1 -13 5  31 o 294.229  10.502  766.947    53.953  926.581    77.265  615.037    75.372  321.735 13.754  260.147 16.681  61.58795       21.62000 
1 1 1 -13 5  32 o 110.612  9.7008  109.010    18.546  136.914    28.734  89.083     24.282  122.961 13.612  98.612  14.538  24.34875       19.91592 
1 1 1 -13 5  33 o 36.119   12.042  11.041     8.9012  19.067     17.598  8.2813     10.318  48.197  16.908  34.478  12.826  13.71872       21.22240 
1 1 1 -13 5  34 o 109.463  10.224  107.136    19.314  123.724    28.973  93.869     25.912  116.373 14.579  100.953 15.169  15.42068       21.03888 
1 1 1 -13 5  35 o 160.795  15.780  236.547    43.732  236.547    43.732  0.0000     0.0000  160.795 15.780  ?       ?       0.000000       15.77957 
1 1 1 -13 5  36 o 122.480  16.573  138.987    34.532  138.987    34.532  0.0000     0.0000  122.480 16.573  ?       ?       0.000000       16.57256 
1 1 1 -13 5  37 o 137.568  15.506  173.921    36.596  173.921    36.596  0.0000     0.0000  137.568 15.506  ?       ?       0.000000       15.50596 
1 1 1 -13 5  38 o 191.284  11.971  328.841    39.781  338.219    49.668  312.060    66.442  192.518 14.891  180.774 21.470  11.74472       26.12832 
1 1 1 -13 5  39 o 68.421   12.277  43.196     14.128  63.507     19.192  19.169     20.875  82.844  13.750  49.653  18.287  33.19030       22.87980 
1 1 1 -13 5  40 o 182.597  12.353  301.052    39.153  308.387    68.268  297.457    47.795  178.368 22.415  179.893 15.364  -1.525085      27.17456 
1 1 1 -13 5  41 o 226.351  11.307  459.041    44.690  478.871    64.170  440.365    62.274  227.627 16.252  218.077 16.476  9.550049       23.14287 
1 1 1 -13 5  42 o 26.109   10.479  3.0189     7.2878  15.090     14.132  -1.3542    8.5061  42.847  15.141  24.377  10.627  18.47069       18.49823 
1 1 1 -13 5  43 o 74.594   11.634  51.119     14.659  39.184     23.365  58.866     18.824  63.793  19.316  79.327  14.108  -15.53370      23.91956 
1 1 1 -13 5  44 o 83.247   10.707  63.048     15.202  90.196     24.394  45.809     19.438  98.299  14.661  69.029  16.375  29.26943       21.97867 
1 1 1 -13 5  45 o 146.010  9.9951  191.460    25.329  209.667    37.476  176.149    34.366  150.626 14.426  137.933 14.486  12.69302       20.44336 
1 1 1 -13 5  46 o 78.666   12.843  57.534     17.032  63.500     31.030  54.961     20.375  79.257  21.759  75.724  15.916  3.532906       26.95886 
1 1 1 -13 5  47 o 195.623  10.487  344.622    35.691  340.636    71.557  345.943    41.179  184.661 22.669  194.985 12.156  -10.32355      25.72220 
1 1 1 -13 5  48 o 138.342  10.429  172.914    25.006  202.166    50.396  163.360    28.802  143.033 20.788  133.468 12.505  9.564163       24.25887 
1 1 1 -13 5  49 o 33.211   12.380  7.9718     9.6225  5.6735     20.735  8.6027     10.863  41.140  17.216  34.842  13.121  6.297955       21.64648 
1 1 1 -13 5  50 o 42.758   13.464  16.784     11.220  15.872     21.130  17.143     13.240  46.911  18.142  43.808  14.688  3.103127       23.34204 
1 1 1 -13 5  51 o 56.852   14.204  31.077     14.059  -1.6640    24.927  46.350     17.025  40.990  18.022  69.528  14.494  -28.53757      23.12742 
1 1 1 -13 5  52 o 35.171   13.323  8.7562     11.240  -4.4981    21.574  13.695     13.169  37.075  16.510  40.662  14.589  -3.586735      22.03224 
1 1 1 -13 5  53 o 78.725   13.782  58.927     18.255  64.153     32.082  56.425     22.198  77.937  22.391  75.416  17.234  2.520874       28.25538 
1 1 1 -13 6  1  o 145.771  12.175  190.113    30.705  172.397    51.965  199.616    38.059  134.740 22.908  148.532 14.875  -13.79269      27.31363 
1 1 1 -13 6  2  f 124.053  12.208  138.001    26.102  159.548    45.046  127.109    32.026  130.630 20.417  117.899 15.968  12.73103       25.92009 
1 1 1 -13 6  3  o 31.979   13.433  1.5409     12.699  -27.6689   25.258  11.422     14.691  34.074  16.107  40.784  15.278  -6.709366      22.20018 
1 1 1 -13 6  4  o 78.560   12.317  56.079     16.340  75.055     22.196  33.633     24.141  90.561  14.528  61.255  19.800  29.30563       24.55872 
1 1 1 -13 6  5  o 84.084   11.376  63.730     16.273  61.777     22.520  65.864     23.539  81.512  16.391  84.171  16.606  -2.659370      23.33316 
1 1 1 -13 6  6  o 134.729  10.737  161.540    25.050  156.440    35.648  166.515    35.207  131.105 15.898  135.566 15.132  -4.460800      21.94765 
1 1 1 -13 6  7  o 228.173  10.875  460.656    43.328  486.600    61.268  434.700    61.283  232.600 15.169  219.381 16.111  13.21873       22.12811 
1 1 1 -13 6  8  o 252.703  13.141  569.881    57.781  512.686    99.769  598.747    70.878  233.231 24.883  257.798 15.822  -24.56741      29.48746 
1 1 1 -13 6  9  o 272.500  13.490  661.646    64.186  527.318    110.332 730.365    78.914  234.788 27.430  284.764 15.935  -49.97585      31.72272 
1 1 1 -13 6  10 o 132.307  12.633  156.917    28.829  113.871    49.899  178.485    35.321  107.954 26.636  140.596 14.601  -32.64233      30.37544 
1 1 1 -13 6  11 o 191.348  12.360  326.469    41.076  339.192    51.275  303.677    68.629  194.012 15.259  180.380 22.262  13.63176       26.98979 
1 1 1 -13 6  12 o 67.805   15.839  42.868     18.413  40.926     24.600  45.343     27.768  66.421  19.755  69.820  21.039  -3.398857      28.85986 
1 1 1 -13 6  13 o 166.727  15.853  251.712    45.594  251.712    45.594  0.0000     0.0000  166.727 15.853  ?       ?       0.000000       15.85254 
1 1 1 -13 6  14 o 79.074   19.692  59.176     27.086  59.176     27.086  0.0000     0.0000  79.074  19.692  ?       ?       0.000000       19.69228 
1 1 1 -13 6  15 o 159.190  12.719  226.756    35.059  227.205    43.036  225.870    60.453  158.328 15.777  154.749 23.079  3.578583       27.95614 
1 1 1 -13 6  16 f 93.193   14.614  79.446     22.998  87.487     27.184  59.202     43.134  97.307  16.595  80.017  26.501  17.28922       31.26855 
1 1 1 -13 6  17 o 154.309  10.404  211.490    27.868  209.833    39.508  213.130    39.315  152.299 15.054  153.574 14.847  -1.274933      21.14340 
1 1 1 -13 6  18 o 105.705  11.093  100.042    20.169  85.557     27.999  115.663    29.077  95.924  17.356  112.609 15.175  -16.68559      23.05412 
1 1 1 -13 6  19 o 79.222   11.896  56.920     15.947  53.529     18.143  68.431     33.433  76.223  14.153  84.436  22.333  -8.213326      26.44048 
1 1 1 -13 6  20 o 162.566  10.711  235.040    30.232  229.781    34.833  251.091    60.859  160.181 12.555  163.542 21.859  -3.360580      25.20838 
1 1 1 -13 6  21 o 29.492   12.030  3.0201     9.7810  12.677     11.281  -26.2241   19.631  39.347  13.552  28.781  13.772  10.56630       19.32131 
1 1 1 -13 6  22 o 46.159   13.766  19.333     11.934  19.358     13.932  19.262     23.125  46.839  15.032  51.416  19.187  -4.576847      24.37404 
1 1 1 -13 6  23 o 55.273   13.139  28.357     12.494  32.421     14.563  17.028     24.315  58.985  14.291  50.773  19.508  8.211391       24.18274 
1 1 1 -13 6  24 o 107.190  11.023  103.014    20.337  104.077    23.750  100.093    39.374  107.224 12.948  101.723 22.739  5.500771       26.16727 
1 1 1 -13 6  25 o 131.885  10.690  155.284    24.405  143.865    28.508  186.606    47.217  126.199 13.130  141.230 19.682  -15.03114      23.65953 
1 1 1 -13 6  26 f 247.469  11.177  544.462    48.298  568.794    56.027  474.068    95.294  251.945 12.778  222.041 25.015  29.90407       28.08949 
1 1 1 -13 6  27 o 256.732  13.362  592.443    59.690  582.188    73.629  612.105    101.949 252.408 16.803  253.785 23.266  -1.377411      28.69868 
1 1 1 -13 6  28 o 191.500  12.103  328.700    40.262  366.049    50.210  261.433    67.384  201.066 14.397  164.424 24.194  36.64233       28.15366 
1 1 1 -13 6  29 o 117.964  16.384  128.813    32.836  128.813    32.836  0.0000     0.0000  117.964 16.384  ?       ?       0.000000       16.38420 
1 1 1 -13 6  30 o 186.840  16.085  319.954    51.965  319.954    51.965  0.0000     0.0000  186.840 16.085  ?       ?       0.000000       16.08533 
1 1 1 -13 6  31 o 55.433   17.645  28.069     19.228  28.069     19.228  0.0000     0.0000  55.433  17.645  ?       ?       0.000000       17.64487 
1 1 1 -13 6  32 o 28.179   12.910  -9.3333    14.343  -9.3333    14.343  0.0000     0.0000  28.179  12.910  ?       ?       0.000000       12.90998 
1 1 1 -13 6  33 o 185.045  12.290  308.576    39.485  341.815    48.913  246.402    66.897  193.592 14.577  157.699 25.139  35.89346       29.05971 
1 1 1 -13 6  34 o 240.911  11.335  519.298    47.680  569.068    68.534  472.611    66.378  248.895 15.852  225.939 16.949  22.95552       23.20693 
1 1 1 -13 6  35 o 189.206  10.142  319.857    33.383  372.206    48.405  272.377    46.099  202.230 13.791  171.915 15.525  30.31448       20.76540 
1 1 1 -13 6  36 o 219.589  10.605  430.871    40.660  490.875    58.828  375.987    56.263  231.601 14.622  201.581 16.120  30.01915       21.76367 
1 1 1 -13 6  37 o 39.645   11.810  14.350     8.7863  9.1642     16.006  16.587     10.512  39.761  15.669  42.623  12.967  -2.862240      20.33902 
1 1 1 -13 6  38 o 129.530  11.119  151.573    24.904  224.850    44.757  118.710    29.973  154.876 16.821  112.635 15.664  42.24048       22.98531 
1 1 1 -13 6  39 o 72.923   12.467  49.313     15.304  54.429     28.589  47.258     18.118  73.996  21.098  70.482  15.171  3.513397       25.98627 
1 1 1 -13 6  40 o 91.618   14.126  78.346     21.871  88.088     32.461  70.248     29.597  94.347  20.306  84.028  20.382  10.31870       28.77082 
1 1 1 -13 6  41 o 45.092   14.954  18.151     13.733  11.451     23.241  21.746     17.022  46.073  18.636  49.288  16.653  -3.214798      24.99214 
1 1 1 -13 6  42 o 63.145   12.639  37.419     13.448  51.390     25.896  32.260     15.737  71.821  19.941  57.978  15.316  13.84380       25.14454 
1 1 1 -13 6  43 o 74.491   12.543  51.709     15.735  46.767     29.786  53.622     18.532  68.507  21.978  75.096  14.659  -6.588463      26.41854 
1 1 1 -13 6  44 o 30.763   11.311  7.0036     7.9811  16.518     20.323  5.2686     8.6783  46.960  17.885  29.782  11.596  17.17838       21.31494 
1 1 1 -13 6  45 f 144.399  13.926  193.774    34.676  223.651    50.730  167.572    47.508  150.885 19.728  128.722 21.923  22.16338       29.49273 
1 1 1 -13 6  46 o 54.350   13.576  28.235     12.846  24.766     24.990  29.481     14.976  53.872  19.977  55.292  15.090  -1.419128      25.03576 
1 1 1 -13 6  47 o 160.188  12.189  235.613    33.836  210.078    58.090  248.725    41.626  141.475 24.397  162.746 14.810  -21.27068      28.54039 
1 1 1 -13 6  48 o 208.962  12.260  401.074    44.537  370.264    76.207  417.054    54.885  188.763 23.640  210.519 15.030  -21.75562      28.01352 
1 1 1 -13 6  49 o 64.021   14.057  39.468     15.284  36.475     25.477  41.151     19.103  60.780  20.374  64.443  16.803  -3.662495      26.40925 
1 1 1 -13 6  50 o 137.150  12.002  173.712    28.453  135.037    47.409  195.486    35.571  111.153 25.030  143.913 14.347  -32.76061      28.84989 
1 1 1 -13 6  51 o 40.371   13.987  14.271     12.025  24.322     20.214  8.7648     14.961  51.344  18.112  37.974  15.090  13.36995       23.57436 
1 1 1 -13 7  1  f 189.046  15.584  327.006    50.983  0.0000     0.0000  327.006    50.983  ?       ?       189.046 15.584  0.000000       15.58407 
1 1 1 -13 7  2  o 88.155   17.111  73.320     25.388  0.0000     0.0000  73.320     25.388  ?       ?       88.155  17.111  0.000000       17.11057 
1 1 1 -13 7  3  o 120.586  15.352  133.786    31.590  0.0000     0.0000  133.786    31.590  ?       ?       120.586 15.352  0.000000       15.35174 
1 1 1 -13 7  4  o 89.734   12.984  73.609     19.752  86.550     36.065  68.064     23.607  94.079  22.296  85.121  16.479  8.957451       27.72446 
1 1 1 -13 7  5  o 114.370  12.377  118.303    24.322  121.742    41.433  116.496    30.042  112.193 21.937  112.307 15.754  -0.1144867     27.00722 
1 1 1 -13 7  6  o 179.558  12.443  289.789    38.769  228.073    66.880  321.024    47.579  151.963 26.149  188.033 14.606  -36.06989      29.95153 
1 1 1 -13 7  7  o 45.706   14.927  18.353     13.702  26.675     25.719  15.055     16.190  56.836  20.389  44.324  16.138  12.51141       26.00262 
1 1 1 -13 7  8  o 94.319   12.983  81.115     20.815  34.037     36.039  104.680    25.497  64.777  23.996  107.024 13.978  -42.24635      27.77041 
1 1 1 -13 7  9  o 40.920   14.182  13.772     12.364  2.2612     19.286  21.802     16.109  38.929  16.464  49.603  16.184  -10.67408      23.08687 
1 1 1 -13 7  10 o 174.299  10.356  270.655    31.375  233.792    44.350  307.589    44.393  159.661 16.130  184.419 13.888  -24.75708      21.28488 
1 1 1 -13 7  11 o 147.823  10.798  195.288    27.679  176.736    39.740  212.767    38.573  138.334 16.797  152.902 14.626  -14.56860      22.27276 
1 1 1 -13 7  12 o 101.699  13.954  94.654     24.125  91.069     29.152  102.446    42.977  98.443  17.606  101.728 24.490  -3.285622      30.16163 
1 1 1 -13 7  13 o 166.627  16.117  254.517    46.306  269.223    63.129  237.389    68.131  168.090 22.040  155.203 26.065  12.88683       34.13432 
1 1 1 -13 7  14 o 284.573  17.085  742.542    84.500  673.840    118.679 813.178    120.339 262.756 26.218  291.393 23.861  -28.63742      35.45030 
1 1 1 -13 7  15 o 233.343  16.352  498.124    66.204  504.572    92.805  491.441    94.472  229.445 23.496  225.681 24.361  3.764175       33.84541 
1 1 1 -13 7  16 f 262.344  11.567  614.052    52.985  581.194    74.941  646.894    74.922  251.503 17.168  266.107 16.202  -14.60365      23.60578 
1 1 1 -13 7  17 o 139.228  15.850  178.238    37.846  142.886    55.959  208.040    51.378  118.711 27.531  148.250 20.388  -29.53881      34.25816 
1 1 1 -13 7  18 o 78.230   13.493  56.481     17.765  55.976     22.788  57.263     28.363  76.738  17.407  76.908  20.675  -0.1703339     27.02712 
1 1 1 -13 7  19 o 179.125  12.198  288.462    37.923  272.493    46.743  319.216    64.868  172.455 15.695  183.798 20.565  -11.34276      25.86994 
1 1 1 -13 7  20 o 168.677  12.033  255.835    35.206  245.227    43.352  276.381    60.334  163.647 15.351  170.743 20.658  -7.096237      25.73709 
1 1 1 -13 7  21 o 89.149   12.604  72.615     19.073  67.953     23.861  80.867     31.742  84.849  16.700  91.345  20.415  -6.496826      26.37570 
1 1 1 -13 7  22 o 115.492  11.557  120.355    22.993  138.592    28.784  88.202     38.220  123.279 13.599  94.249  23.346  29.03019       27.01764 
1 1 1 -13 7  23 o 51.698   14.208  24.977     13.221  26.575     17.613  22.915     20.012  53.779  16.859  51.800  18.038  1.979111       24.69015 
1 1 1 -13 7  24 o 170.865  22.502  282.549    65.499  282.549    65.499  0.0000     0.0000  170.865 22.502  ?       ?       0.000000       22.50172 
1 1 1 -13 7  25 o 63.161   21.441  36.495     28.218  36.495     28.218  0.0000     0.0000  63.161  21.441  ?       ?       0.000000       21.44063 
1 1 1 -13 7  26 o 65.071   21.765  39.469     29.073  39.469     29.073  0.0000     0.0000  65.071  21.765  ?       ?       0.000000       21.76466 
1 1 1 -13 7  27 o 49.574   13.490  22.990     11.988  42.915     16.845  2.5438     17.065  67.429  14.721  36.801  15.521  30.62840       21.39172 
1 1 1 -13 7  28 o 98.308   14.281  89.556     23.796  118.010    36.345  68.207     31.482  110.637 19.528  82.903  21.550  27.73419       29.08142 
1 1 1 -13 7  29 o 9.7661   4.8190  -6.5294    2.9639  -14.7372   14.770  -6.1850    3.0255  26.526  12.470  10.111  4.9656  16.41438       13.42226 
1 1 1 -13 7  30 o 216.217  12.069  422.596    45.383  487.169    79.863  391.799    55.154  225.179 20.538  205.935 15.451  19.24365       25.70121 
1 1 1 -13 7  31 o 63.487   11.595  37.309     12.380  83.127     26.634  24.682     13.982  93.342  16.967  51.243  14.799  42.09911       22.51406 
1 1 1 -13 7  32 o 93.000   10.936  78.620     17.419  116.443    33.106  64.141     20.484  110.327 17.790  82.536  14.755  27.79131       23.11297 
1 1 1 -13 7  33 o 59.208   15.161  33.519     15.742  39.407     25.323  29.811     20.097  63.845  20.242  56.334  18.051  7.511143       27.12118 
1 1 1 -13 7  34 o 44.208   14.405  17.579     12.763  17.683     22.069  17.527     15.644  48.831  18.628  45.396  15.940  3.435734       24.51702 
1 1 1 -13 7  35 o 86.010   18.706  72.702     27.292  72.702     27.292  0.0000     0.0000  86.010  18.706  ?       ?       0.000000       18.70572 
1 1 1 -13 7  36 o 134.450  16.332  171.089    37.553  171.089    37.553  0.0000     0.0000  134.450 16.332  ?       ?       0.000000       16.33184 
1 1 1 -13 7  37 o 60.628   18.402  35.795     21.188  35.795     21.188  0.0000     0.0000  60.628  18.402  ?       ?       0.000000       18.40224 
1 1 1 -13 7  38 o 111.003  16.553  117.943    31.101  117.943    31.101  0.0000     0.0000  111.003 16.553  ?       ?       0.000000       16.55261 
1 1 1 -13 7  39 f 93.092   17.850  84.884     27.959  84.884     27.959  0.0000     0.0000  93.092  17.850  ?       ?       0.000000       17.85019 
1 1 1 -13 7  40 o 77.536   18.284  59.824     24.351  59.824     24.351  0.0000     0.0000  77.536  18.284  ?       ?       0.000000       18.28383 
1 1 1 -13 7  41 o 123.714  15.608  145.588    32.965  145.588    32.965  0.0000     0.0000  123.714 15.608  ?       ?       0.000000       15.60780 
1 1 1 -13 7  42 o 71.161   18.276  50.760     22.827  50.760     22.827  0.0000     0.0000  71.161  18.276  ?       ?       0.000000       18.27595 
1 1 1 -13 7  43 o 67.471   18.328  45.770     22.152  45.770     22.152  0.0000     0.0000  67.471  18.328  ?       ?       0.000000       18.32814 
1 1 1 -13 7  44 o 87.999   18.325  77.554     27.242  77.554     27.242  0.0000     0.0000  87.999  18.325  ?       ?       0.000000       18.32497 
1 1 1 -13 7  45 o 32.213   13.970  -0.2455    14.542  -0.2455    14.542  0.0000     0.0000  32.213  13.970  ?       ?       0.000000       13.97033 
1 1 1 -13 7  46 o 58.082   20.380  32.838     25.569  32.838     25.569  0.0000     0.0000  58.082  20.380  ?       ?       0.000000       20.37993 
1 1 1 -13 7  47 o 76.051   17.974  58.705     23.490  43.637     29.910  82.953     37.943  64.817  22.074  86.344  24.197  -21.52724      32.75279 
1 1 1 -13 7  48 o 101.173  16.160  100.463    27.587  69.875     36.924  139.108    41.503  78.843  24.361  114.917 21.473  -36.07401      32.47408 
1 1 1 -13 8  1  o 62.148   15.425  37.045     16.660  46.103     31.032  33.378     19.747  68.544  22.467  58.978  17.735  9.565655       28.62389 
1 1 1 -13 8  2  o 54.670   16.198  28.355     16.562  85.709     33.415  9.6768     19.069  92.587  21.135  42.274  16.957  50.31330       27.09648 
1 1 1 -13 8  3  o 12.971   6.5142  -19.2144   6.4996  -31.7718   25.169  -18.3172   6.7278  32.423  15.535  13.606  6.8031  18.81705       16.95944 
1 1 1 -13 8  4  o 143.129  12.623  186.910    31.223  238.141    55.013  162.565    37.923  156.462 20.641  131.174 16.954  25.28796       26.71138 
1 1 1 -13 8  5  o 191.979  10.785  331.552    36.007  336.569    50.897  326.525    50.948  190.542 15.431  187.465 15.710  3.077194       22.02034 
1 1 1 -13 8  6  o 116.717  10.948  123.238    22.050  127.361    31.544  119.298    30.835  116.498 15.924  112.586 16.148  3.912140       22.67904 
1 1 1 -13 8  7  o 98.787   12.169  89.298     20.546  99.165     29.883  80.453     28.295  101.908 17.420  91.127  18.416  10.78115       25.34964 
1 1 1 -13 8  8  o 155.980  10.775  219.042    29.166  236.914    41.605  201.774    40.897  159.999 15.070  146.911 16.213  13.08786       22.13542 
1 1 1 -13 8  9  o 65.712   13.571  40.591     15.055  51.268     23.149  32.765     19.819  72.545  18.282  58.684  17.795  13.86102       25.51257 
1 1 1 -13 8  10 o 188.125  10.822  318.226    35.399  353.496    50.459  284.042    49.675  195.845 14.867  174.376 16.512  21.46805       22.21839 
1 1 1 -13 8  11 o 130.582  11.393  154.339    25.717  139.002    37.020  168.644    35.753  120.695 18.126  134.599 15.495  -13.90335      23.84689 
1 1 1 -13 8  12 o 104.830  14.160  101.879    25.255  94.526     29.734  120.917    47.848  99.301  17.803  107.965 25.744  -8.663315      31.30036 
1 1 1 -13 8  13 f 85.996   15.443  69.829     22.336  81.038     26.158  39.659     42.914  92.182  16.874  68.105  25.977  24.07731       30.97583 
1 1 1 -13 8  14 o 79.759   15.591  60.369     20.935  50.733     24.784  84.362     39.110  71.907  19.325  90.666  24.238  -18.75981      30.99872 
1 1 1 -13 8  15 o 159.014  12.695  230.302    34.954  203.549    43.442  279.419    58.864  146.891 17.267  170.155 20.208  -23.26331      26.58026 
1 1 1 -13 8  16 o 31.494   12.070  6.3255     9.2935  2.1006     12.385  11.771     14.060  31.645  13.278  40.063  14.959  -8.418144      20.00178 
1 1 1 -13 8  17 f 110.743  10.790  110.969    20.598  101.917    24.302  134.064    38.818  105.026 13.569  117.519 19.609  -12.49289      23.84570 
1 1 1 -13 8  18 o 67.568   17.333  44.276     20.550  44.276     20.550  0.0000     0.0000  67.568  17.333  ?       ?       0.000000       17.33348 
1 1 1 -13 8  19 o 108.801  23.768  120.801    43.890  120.801    43.890  0.0000     0.0000  108.801 23.768  ?       ?       0.000000       23.76819 
1 1 1 -13 8  20 o 199.863  23.538  399.325    80.567  399.325    80.567  0.0000     0.0000  199.863 23.538  ?       ?       0.000000       23.53797 
1 1 1 -13 8  21 o 80.682   17.622  63.231     24.131  63.231     24.131  0.0000     0.0000  80.682  17.622  ?       ?       0.000000       17.62227 
1 1 1 -13 8  22 o 128.070  11.500  149.070    25.442  179.589    33.173  105.472    39.649  139.502 13.800  101.757 22.872  37.74445       26.71255 
1 1 1 -13 8  23 o 191.235  11.823  331.962    39.283  364.312    49.301  275.707    65.012  198.637 14.310  165.687 23.101  32.94968       27.17395 
1 1 1 -13 8  24 o 129.960  11.759  153.942    26.394  175.921    34.327  122.157    41.279  137.538 14.513  109.878 22.278  27.65936       26.58856 
1 1 1 -13 8  25 o 227.075  12.518  470.442    49.439  503.699    61.657  410.558    82.738  232.580 15.267  200.952 24.059  31.62793       28.49396 
1 1 1 -13 8  26 o 55.804   12.683  29.433     12.077  39.431     15.497  13.963     19.275  64.310  14.182  44.799  17.327  19.51069       22.39058 
1 1 1 -13 8  27 o 57.176   13.124  31.021     12.825  34.373     16.599  26.058     20.200  59.616  15.721  53.293  18.140  6.322704       24.00455 
1 1 1 -13 8  28 o 40.516   12.483  15.061     9.7027  28.345     13.220  -0.4520    14.285  54.466  13.865  32.063  13.876  22.40294       19.61575 
1 1 1 -13 8  29 o 23.461   11.151  -14.6009   12.434  -14.6009   12.434  0.0000     0.0000  23.461  11.151  ?       ?       0.000000       11.15140 
1 1 1 -13 8  30 o 58.944   18.691  33.789     21.590  33.789     21.590  0.0000     0.0000  58.944  18.691  ?       ?       0.000000       18.69063 
1 1 1 -13 8  31 o 121.665  17.011  142.759    35.149  142.759    35.149  0.0000     0.0000  121.665 17.011  ?       ?       0.000000       17.01098 
1 1 1 -13 8  32 o 27.900   12.888  -10.2578   14.712  -10.2578   14.712  0.0000     0.0000  27.900  12.888  ?       ?       0.000000       12.88806 
1 1 1 -13 8  33 o 154.379  23.033  246.599    60.188  246.599    60.188  0.0000     0.0000  154.379 23.033  ?       ?       0.000000       23.03327 
1 1 1 -13 8  34 o 171.923  16.458  283.287    48.802  283.287    48.802  0.0000     0.0000  171.923 16.458  ?       ?       0.000000       16.45813 
1 1 1 -13 8  35 o 93.889   18.192  87.738     28.746  87.738     28.746  0.0000     0.0000  93.889  18.192  ?       ?       0.000000       18.19172 
1 1 1 -13 8  36 o 58.414   17.875  33.793     19.934  33.793     19.934  0.0000     0.0000  58.414  17.875  ?       ?       0.000000       17.87452 
1 1 1 -13 8  37 f 26.419   12.200  -9.0932    13.166  -9.0932    13.166  0.0000     0.0000  26.419  12.200  ?       ?       0.000000       12.19991 
1 1 1 -13 8  38 o 31.588   13.888  -1.9205    14.803  -1.9205    14.803  0.0000     0.0000  31.588  13.888  ?       ?       0.000000       13.88843 
1 1 1 -13 8  39 f 48.958   18.184  20.583     20.723  20.583     20.723  0.0000     0.0000  48.958  18.184  ?       ?       0.000000       18.18424 
1 1 1 -13 8  40 f 81.947   19.256  69.247     27.085  69.247     27.085  0.0000     0.0000  81.947  19.256  ?       ?       0.000000       19.25562 
1 1 1 -13 8  41 o 39.961   16.080  9.5307     17.207  9.5307     17.207  0.0000     0.0000  39.961  16.080  ?       ?       0.000000       16.08022 
1 1 1 -13 8  42 o 50.449   21.527  12.168     33.477  12.168     33.477  0.0000     0.0000  50.449  21.527  ?       ?       0.000000       21.52682 
1 1 1 -13 8  43 o 55.272   22.716  23.286     35.207  23.286     35.207  0.0000     0.0000  55.272  22.716  ?       ?       0.000000       22.71650 
1 1 1 -13 8  44 o 93.060   28.688  109.046    51.238  109.046    51.238  0.0000     0.0000  93.060  28.688  ?       ?       0.000000       28.68761 
1 1 1 -13 9  1  f 46.899   15.329  20.611     14.450  5.4747     20.195  36.490     20.684  40.118  16.901  60.305  18.155  -20.18688      24.80392 
1 1 1 -13 9  2  o 46.448   16.686  18.824     17.232  -16.5035   32.845  32.242     20.242  41.578  19.224  57.147  18.095  -15.56876      26.40098 
1 1 1 -13 9  3  o 33.079   14.225  0.8087     14.825  2.3153     29.893  0.3173     17.072  45.511  19.880  34.998  15.157  10.51390       24.99895 
1 1 1 -13 9  4  o 74.286   17.003  54.822     21.577  -5.8266    39.728  80.198     25.698  48.744  21.997  90.303  16.920  -41.55876      27.75178 
1 1 1 -13 9  5  o 53.328   16.221  27.592     16.449  18.706     24.666  34.709     22.075  49.873  19.513  59.199  18.913  -9.325760      27.17468 
1 1 1 -13 9  6  o 61.547   15.528  37.113     16.686  52.022     24.703  24.602     22.629  71.415  19.336  52.518  19.085  18.89721       27.16837 
1 1 1 -13 9  7  o 86.454   13.527  70.649     19.751  70.987     28.192  70.322     27.678  83.411  19.676  83.158  19.415  0.2528229      27.64172 
1 1 1 -13 9  8  o 92.610   12.274  79.840     19.359  89.676     27.642  70.369     27.122  95.600  17.192  83.429  19.038  12.17024       25.65172 
1 1 1 -13 9  9  o 190.542  11.038  330.972    36.565  284.592    51.953  376.498    51.473  171.154 17.637  199.917 14.852  -28.76299      23.05747 
1 1 1 -13 9  10 o 176.264  11.519  284.392    35.258  232.215    50.002  335.993    49.725  153.204 19.107  188.472 15.241  -35.26764      24.44089 
1 1 1 -13 9  11 o 93.144   12.542  80.916     19.879  61.122     28.963  98.548     27.335  76.755  21.001  101.053 16.027  -24.29793      26.41817 
1 1 1 -13 9  12 f 64.610   17.670  41.641     20.509  35.946     23.658  58.867     41.145  60.302  19.610  74.188  25.863  -13.88539      32.45662 
1 1 1 -13 9  13 o 63.254   17.143  39.706     19.407  30.451     22.829  63.826     36.853  56.460  19.284  76.996  24.420  -20.53639      31.11589 
1 1 1 -13 9  14 o 40.839   14.669  13.881     13.316  13.881     13.316  0.0000     0.0000  40.839  14.669  ?       ?       0.000000       14.66873 
1 1 1 -13 9  15 o 84.569   14.197  68.114     20.221  68.114     20.221  0.0000     0.0000  84.569  14.197  ?       ?       0.000000       14.19682 
1 1 1 -13 9  16 o 45.867   13.695  19.908     11.806  15.859     13.930  30.234     22.244  42.788  15.041  56.163  19.036  -13.37461      24.26117 
1 1 1 -13 9  17 f 126.667  12.481  148.731    27.247  159.228    33.915  129.624    45.756  129.261 15.325  109.602 24.522  19.65941       28.91719 
1 1 1 -13 9  18 o 97.456   13.160  89.145     21.820  77.808     27.269  109.330    36.384  88.191  18.308  103.115 20.923  -14.92426      27.80207 
1 1 1 -13 9  19 o 32.178   12.820  5.6371     10.823  0.2086     14.004  13.691     17.057  31.935  13.780  42.828  16.367  -10.89264      21.39519 
1 1 1 -13 9  20 o 40.075   13.206  14.496     10.716  14.058     13.793  15.163     17.020  41.182  14.911  43.793  16.437  -2.610825      22.19267 
1 1 1 -13 9  21 o 81.270   11.398  61.324     15.730  70.948     19.786  44.795     25.930  86.530  13.540  66.069  20.415  20.46137       24.49654 
1 1 1 -13 9  22 o 72.998   13.718  50.990     16.843  62.110     23.675  39.594     23.966  78.754  17.654  62.540  19.677  16.21386       26.43510 
1 1 1 -13 9  23 o 124.507  13.990  146.426    29.888  177.282    44.958  121.988    40.011  132.195 20.111  107.801 22.001  24.39429       29.80791 
1 1 1 -13 9  24 o 118.540  14.456  133.650    29.300  135.272    42.432  132.171    40.509  113.351 22.233  112.755 21.357  0.5958633      30.82951 
1 1 1 -13 9  25 o 33.450   12.535  8.2415     9.8897  7.2228     17.633  8.7090     11.945  39.054  16.067  35.528  13.668  3.525574       21.09422 
1 1 1 -13 9  26 o 68.452   14.550  45.596     16.855  40.949     22.740  51.263     25.110  63.324  19.029  70.302  19.678  -6.977856      27.37425 
1 1 1 -13 9  27 o 42.815   14.605  16.561     13.094  16.561     13.094  0.0000     0.0000  42.815  14.605  ?       ?       0.000000       14.60511 
1 1 1 -13 9  28 o 42.430   16.596  12.775     17.838  12.775     17.838  0.0000     0.0000  42.430  16.596  ?       ?       0.000000       16.59596 
1 1 1 -13 9  29 o 80.231   26.406  74.709     42.849  74.709     42.849  0.0000     0.0000  80.231  26.406  ?       ?       0.000000       26.40592 
1 1 1 -13 9  30 o 56.891   23.105  25.898     35.881  25.898     35.881  0.0000     0.0000  56.891  23.105  ?       ?       0.000000       23.10491 
1 1 1 -13 9  31 o 109.595  27.544  142.108    52.646  142.108    52.646  0.0000     0.0000  109.595 27.544  ?       ?       0.000000       27.54357 
1 1 1 -13 9  32 o 45.839   20.301  1.1871     32.180  1.1871     32.180  0.0000     0.0000  45.839  20.301  ?       ?       0.000000       20.30060 
1 1 1 -13 9  33 o 44.707   19.956  -1.2036    31.720  -1.2036    31.720  0.0000     0.0000  44.707  19.956  ?       ?       0.000000       19.95556 
1 1 1 -13 9  34 o 99.311   27.686  120.079    49.811  120.079    49.811  0.0000     0.0000  99.311  27.686  ?       ?       0.000000       27.68630 
1 1 1 -13 9  35 o 38.932   18.107  -16.0376   29.790  -16.0376   29.790  0.0000     0.0000  38.932  18.107  ?       ?       0.000000       18.10695 
1 1 1 -13 9  36 f 25.922   12.917  -53.6695   23.370  -53.6695   23.370  0.0000     0.0000  25.922  12.917  ?       ?       0.000000       12.91704 
1 1 1 -13 9  37 f 94.129   27.934  111.481    49.227  111.481    49.227  0.0000     0.0000  94.129  27.934  ?       ?       0.000000       27.93358 
1 1 1 -13 9  38 o 153.455  16.662  235.192    43.927  235.192    43.927  0.0000     0.0000  153.455 16.662  ?       ?       0.000000       16.66164 
1 1 1 -13 9  39 o 132.352  17.763  178.904    40.014  178.904    40.014  0.0000     0.0000  132.352 17.763  ?       ?       0.000000       17.76308 
1 1 1 -13 9  40 o 87.229   17.947  79.335     26.424  79.335     26.424  0.0000     0.0000  87.229  17.947  ?       ?       0.000000       17.94742 
1 1 1 -13 10 1  o 33.656   14.228  3.7064     14.393  6.5164     18.071  -1.1698    23.805  38.143  16.024  38.824  17.311  -0.6807518     23.58904 
1 1 1 -13 10 2  o 40.616   15.637  13.089     15.643  20.038     19.355  -0.0006    26.564  46.937  17.546  41.132  18.318  5.805313       25.36542 
1 1 1 -13 10 3  o 19.727   9.7664  -26.9907   12.539  -36.8770   20.701  -21.2614   15.759  26.315  12.936  24.971  12.048  1.343924       17.67811 
1 1 1 -13 10 4  o 43.331   17.473  13.159     20.365  62.554     34.709  -12.7732   25.149  72.885  23.755  36.084  16.732  36.80102       29.05653 
1 1 1 -13 10 5  o 108.451  19.002  123.446    34.672  82.370     53.163  153.850    45.738  78.371  29.122  116.624 23.276  -38.25317      37.28094 
1 1 1 -13 10 6  o 144.091  12.558  196.920    31.279  179.727    38.933  228.224    52.533  133.263 17.128  145.173 21.363  -11.90981      27.38197 
1 1 1 -13 10 7  o 90.638   18.464  85.868     28.230  85.868     28.230  0.0000     0.0000  90.638  18.464  ?       ?       0.000000       18.46441 
1 1 1 -13 10 8  o 26.562   12.412  -11.2729   14.263  -11.2729   14.263  0.0000     0.0000  26.562  12.412  ?       ?       0.000000       12.41204 
1 1 1 -13 10 9  o 148.425  17.164  222.049    43.662  222.049    43.662  0.0000     0.0000  148.425 17.164  ?       ?       0.000000       17.16396 
1 1 1 -13 10 10 o 123.616  12.536  144.865    26.684  164.649    34.902  117.036    41.395  128.968 15.832  101.059 23.844  27.90947       28.62167 
1 1 1 -13 10 11 o 89.038   17.256  81.021     25.859  97.328     43.583  72.161     32.125  89.218  26.233  80.068  22.203  9.149147       34.36766 
1 1 1 -13 10 12 f 86.231   18.335  77.470     26.757  38.610     41.747  104.561    34.857  61.976  25.009  98.231  20.961  -36.25515      32.63140 
1 1 1 -13 10 13 o 131.611  25.142  199.799    55.670  199.799    55.670  0.0000     0.0000  131.611 25.142  ?       ?       0.000000       25.14206 
1 1 1 -13 10 14 o 56.878   18.083  33.364     20.200  33.364     20.200  0.0000     0.0000  56.878  18.083  ?       ?       0.000000       18.08346 
1 1 1 -13 10 15 o 93.921   17.169  89.764     27.119  89.764     27.119  0.0000     0.0000  93.921  17.169  ?       ?       0.000000       17.16943 
1 1 1 -13 10 16 o 35.054   13.023  9.7309     10.630  14.396     17.066  6.7741     13.587  42.510  16.341  35.075  14.227  7.434505       21.66706 
1 1 1 -13 10 17 o 80.941   13.306  63.351     18.152  65.362     23.985  60.657     27.771  79.416  17.744  74.434  20.645  4.981941       27.22243 
1 1 1 -13 10 18 o 40.948   13.711  15.585     11.538  21.331     17.449  11.121     15.381  47.541  16.821  39.312  15.401  8.229294       22.80693 
1 1 1 -13 10 19 o 70.609   13.455  48.617     15.983  73.729     22.092  21.043     23.150  86.189  15.237  49.200  19.000  36.98851       24.35523 
1 1 1 -13 10 20 o 53.493   15.220  28.754     14.894  17.691     20.792  40.415     21.346  46.304  17.971  61.950  18.397  -15.64597      25.71791 
1 1 1 -13 10 21 o 48.578   15.240  23.311     14.389  7.9741     20.415  38.451     20.284  40.736  17.068  60.634  17.916  -19.89829      24.74434 
1 1 1 -13 10 22 o 50.813   15.280  25.815     14.658  76.047     33.898  14.262     16.256  81.412  22.890  41.921  15.988  39.49084       27.92129 
1 1 1 -13 10 23 o 42.503   13.592  17.271     11.399  32.660     20.122  9.9976     13.834  56.178  18.068  37.436  14.623  18.74173       23.24413 
1 1 1 -13 10 24 o 79.396   15.163  62.935     20.254  62.935     20.254  0.0000     0.0000  79.396  15.163  ?       ?       0.000000       15.16322 
1 1 1 -13 10 25 o 55.903   12.831  30.623     12.260  34.505     16.422  25.735     18.425  58.150  15.774  50.837  17.325  7.312569       23.43036 
1 1 1 -13 10 26 o 24.306   10.783  -2.1343    9.1177  -2.1343    9.1177  0.0000     0.0000  24.306  10.783  ?       ?       0.000000       10.78313 
1 1 1 -13 10 27 o 81.500   18.537  70.485     25.783  70.485     25.783  0.0000     0.0000  81.500  18.537  ?       ?       0.000000       18.53653 
1 1 1 -13 10 28 o 41.566   17.394  9.1889     21.162  9.1889     21.162  0.0000     0.0000  41.566  17.394  ?       ?       0.000000       17.39363 
1 1 1 -13 10 29 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -13 10 30 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -13 10 31 o 66.658   26.599  54.485     46.657  54.485     46.657  0.0000     0.0000  66.658  26.599  ?       ?       0.000000       26.59867 
1 1 1 -13 10 32 o 50.626   18.408  25.540     21.056  25.540     21.056  0.0000     0.0000  50.626  18.408  ?       ?       0.000000       18.40837 
1 1 1 -13 10 33 o 36.851   15.546  5.8199     17.126  5.8199     17.126  0.0000     0.0000  36.851  15.546  ?       ?       0.000000       15.54611 
1 1 1 -13 10 34 o 44.991   17.831  16.789     20.838  16.789     20.838  0.0000     0.0000  44.991  17.831  ?       ?       0.000000       17.83148 
1 1 1 -13 11 1  o 26.870   12.576  -10.1314   14.739  -12.8339   16.103  3.8251     36.595  27.320  12.897  45.052  20.633  -17.73222      24.33270 
1 1 1 -13 11 2  o 29.024   13.355  -6.7605    15.576  -10.9760   17.406  10.184     34.896  29.217  13.672  46.368  20.797  -17.15075      24.88828 
1 1 1 -13 11 3  o 109.408  14.593  122.486    27.182  102.558    31.990  174.244    51.555  94.067  20.088  113.119 26.556  -19.05215      33.29784 
1 1 1 -13 11 4  o 82.765   13.109  68.495     18.313  82.144     26.921  56.739     24.983  85.658  18.537  69.559  19.684  16.09856       27.03902 
1 1 1 -13 11 5  f 38.411   14.858  12.364     14.176  58.841     38.188  4.9362     15.267  65.793  24.636  34.374  14.599  31.41902       28.63653 
1 1 1 -13 11 6  o 41.329   15.324  15.935     14.703  29.791     38.812  13.613     15.887  54.194  23.153  40.149  15.674  14.04537       27.95954 
1 1 1 -13 11 7  o 91.479   15.368  86.701     23.677  51.314     45.250  100.042    27.784  62.169  25.675  96.665  17.086  -34.49625      30.84027 
1 1 1 -13 11 8  o 30.543   12.521  4.9085     10.661  -15.1093   18.113  15.519     13.187  28.712  13.592  40.549  14.594  -11.83689      19.94330 
1 1 1 -13 11 9  o 25.316   11.039  -0.2335    9.1799  14.924     17.311  -6.1638    10.828  41.746  16.343  24.143  11.119  17.60285       19.76674 
1 1 1 -13 11 10 o 47.773   13.834  23.332     12.203  14.309     15.425  38.433     19.954  40.542  15.547  58.872  17.856  -18.32972      23.67599 
1 1 1 -13 11 11 o 70.176   14.462  50.496     17.131  48.635     22.115  53.289     27.090  65.783  18.486  66.807  20.903  -1.024765      27.90498 
1 1 1 -13 11 12 o 142.724  10.916  193.486    26.998  176.267    31.396  242.358    52.891  133.191 13.695  144.484 21.631  -11.29343      25.60151 
1 1 1 -13 11 13 o 143.833  12.594  201.574    31.310  167.218    38.793  265.779    53.031  123.986 18.484  153.622 20.265  -29.63593      27.42835 
1 1 1 -13 11 14 o 169.498  11.062  273.012    32.558  265.979    37.871  292.934    63.740  164.362 13.310  153.912 24.542  10.45004       27.91941 
1 1 1 -13 11 15 o 142.307  13.017  198.650    31.987  198.650    31.987  0.0000     0.0000  142.307 13.017  ?       ?       0.000000       13.01738 
1 1 1 -13 11 16 o 100.715  13.189  100.277    22.637  100.277    22.637  0.0000     0.0000  100.715 13.189  ?       ?       0.000000       13.18928 
1 1 1 -13 11 17 o 91.943   11.430  81.371     17.953  77.916     21.527  89.264     32.537  87.515  14.602  86.656  21.584  0.8590775      26.05966 
1 1 1 -13 11 18 o 22.243   9.8187  -1.3037    7.4682  2.9178     14.642  -2.7880    8.6824  32.905  14.144  23.059  10.356  9.845930       17.52963 
1 1 1 -13 11 19 o 59.963   17.367  39.432     19.230  42.788     37.883  38.268     22.319  59.513  23.890  58.175  19.054  1.337597       30.55799 
1 1 1 -13 11 20 o 42.611   14.686  17.845     13.249  4.0726     19.478  29.704     18.074  37.129  16.135  52.522  17.143  -15.39310      23.54218 
1 1 1 -13 11 21 o 58.305   14.837  35.485     15.142  34.424     21.353  36.559     21.475  55.563  18.652  57.057  18.690  -1.493912      26.40468 
1 1 1 -13 11 22 o 47.483   13.266  22.908     11.424  24.575     15.117  20.689     17.443  48.517  15.667  45.671  16.732  2.845215       22.92190 
1 1 1 -13 11 23 o 46.803   14.799  22.579     13.542  15.700     19.558  28.914     18.769  43.089  17.212  51.731  17.487  -8.642105      24.53654 
1 1 1 -13 11 24 o 39.847   14.526  14.756     13.124  24.802     17.548  2.0056     19.770  48.604  16.893  36.290  15.999  12.31416       23.26700 
1 1 1 -13 11 25 o 40.830   12.926  16.544     10.329  14.228     12.959  20.578     17.104  39.312  14.419  45.380  16.577  -6.067245      21.97097 
1 1 1 -13 11 26 o 33.903   12.896  9.3051     10.559  7.7560     16.360  10.411     13.824  36.710  15.322  36.792  14.542  -0.8256531E-01 21.12389 
1 1 1 -13 12 1  o 53.005   17.662  35.202     19.148  33.337     40.935  35.725     21.664  49.581  22.356  52.362  18.720  -2.780930      29.15913 
1 1 1 -13 12 2  o 31.366   12.619  7.4164     10.595  11.182     15.729  4.2888     14.334  36.700  15.145  31.987  13.871  4.712868       20.53758 
1 1 1 -13 12 3  o 32.907   13.114  8.7660     11.327  -3.4621    15.550  22.586     16.532  29.367  13.450  44.565  16.295  -15.19856      21.12882 
1 1 1 -13 12 4  o 30.008   12.583  4.9082     11.111  -4.4527    15.349  15.215     16.106  28.842  13.266  39.502  15.670  -10.66020      20.53131 
1 1 1 -13 12 5  f 39.852   14.346  16.590     12.743  20.560     17.870  12.482     18.177  43.385  16.710  38.668  16.145  4.717007       23.23584 
1 1 1 -13 12 6  o 66.880   13.728  47.885     15.494  39.047     21.861  56.804     21.962  55.237  18.871  68.138  18.139  -12.90122      26.17490 
1 1 1 -13 12 7  o 39.743   16.275  14.320     17.988  22.197     41.180  12.462     19.997  47.836  21.901  39.487  16.736  8.348927       27.56352 
1 1 1 -13 12 8  o 57.968   16.176  38.882     16.995  45.444     22.473  30.114     25.974  59.599  19.087  49.362  19.794  10.23663       27.49755 
1 1 1 -13 12 9  o 53.600   13.622  30.941     12.776  39.615     15.543  12.875     22.431  59.733  14.940  40.683  17.497  19.05016       23.00769 
1 1 1 -13 12 10 o 33.558   12.842  9.8605     10.509  31.194     15.809  -7.0323    14.067  52.137  15.911  26.794  12.455  25.34325       20.20657 
1 1 1 -13 12 11 o 61.170   12.435  38.733     12.829  49.448     15.883  18.621     21.760  68.113  13.827  43.303  17.835  24.81015       22.56752 
1 1 1 -12 0  1  o 375.952  18.966  1249.86    123.775 1249.86    123.775 1249.86    123.775 375.952 18.966  375.952 18.966  0.000000       0.000000 
1 1 1 -12 0  2  o 153.216  14.679  211.162    38.443  211.162    38.443  211.162    38.443  153.216 14.679  153.216 14.679  0.000000       0.000000 
1 1 1 -12 0  3  o 404.452  19.437  1445.91    136.544 1445.91    136.544 1445.91    136.544 404.452 19.437  404.452 19.437  -0.000000      0.000000 
1 1 1 -12 0  4  o 30.235   17.215  10.352     14.190  10.352     14.190  10.352     14.190  30.235  17.215  30.235  17.215  -0.000000      0.000000 
1 1 1 -12 0  5  o 288.808  16.561  738.289    82.885  738.289    82.885  738.289    82.885  288.808 16.561  288.808 16.561  0.000000       0.000000 
1 1 1 -12 0  6  o 118.383  15.136  128.608    29.888  128.608    29.888  128.608    29.888  118.383 15.136  118.383 15.136  0.000000       0.000000 
1 1 1 -12 0  7  o 271.417  16.244  652.535    76.350  652.535    76.350  652.535    76.350  271.417 16.244  271.417 16.244  -0.000000      0.000000 
1 1 1 -12 0  8  o 63.040   26.449  49.345     29.249  49.345     29.249  49.345     29.249  63.040  26.449  63.040  26.449  0.000000       0.000000 
1 1 1 -12 0  9  o 288.231  16.649  735.550    83.152  735.550    83.152  735.550    83.152  288.231 16.649  288.231 16.649  -0.000000      0.000000 
1 1 1 -12 0  10 o 51.992   19.874  32.181     17.018  32.181     17.018  32.181     17.018  51.992  19.874  51.992  19.874  0.000000       0.000000 
1 1 1 -12 0  11 o 106.432  14.655  104.673    25.765  104.673    25.765  104.673    25.765  106.432 14.655  106.432 14.655  0.000000       0.000000 
1 1 1 -12 0  12 o 536.006  34.315  2584.62    318.142 2584.62    318.142 2584.62    318.142 536.006 34.315  536.006 34.315  -0.000000      0.000000 
1 1 1 -12 0  13 o 184.825  22.231  313.123    68.996  313.123    68.996  313.123    68.996  184.825 22.231  184.825 22.231  -0.000000      0.000000 
1 1 1 -12 0  14 o 31.144   19.320  5.7819     20.992  5.7819     20.992  5.7819     20.992  31.144  19.320  31.144  19.320  0.000000       0.000000 
1 1 1 -12 0  15 o 17.043   12.055  -18.5047   14.694  -18.5047   14.694  -18.5047   14.694  17.043  12.055  17.043  12.055  -0.000000      0.000000 
1 1 1 -12 0  16 o 99.686   28.027  105.794    42.231  105.794    42.231  105.794    42.231  99.686  28.027  99.686  28.027  -0.000000      0.000000 
1 1 1 -12 0  17 o 28.914   18.789  -1.6184    22.742  -1.6184    22.742  -1.6184    22.742  28.914  18.789  28.914  18.789  0.000000       0.000000 
1 1 1 -12 0  18 o 318.255  25.438  910.843    139.278 910.843    139.278 910.843    139.278 318.255 25.438  318.255 25.438  0.000000       0.000000 
1 1 1 -12 0  19 o 78.724   30.257  74.456     39.358  74.456     39.358  74.456     39.358  78.724  30.257  78.724  30.257  -0.000000      0.000000 
1 1 1 -12 0  20 o 166.944  23.482  259.562    64.558  259.562    64.558  259.562    64.558  166.944 23.482  166.944 23.482  -0.000000      0.000000 
1 1 1 -12 0  21 o 126.098  24.485  154.777    48.071  154.777    48.071  154.777    48.071  126.098 24.485  126.098 24.485  0.000000       0.000000 
1 1 1 -12 0  22 o 123.923  24.830  150.404    47.655  150.404    47.655  150.404    47.655  123.923 24.830  123.923 24.830  -0.000000      0.000000 
1 1 1 -12 0  23 o 387.224  27.968  1349.65    186.833 1349.65    186.833 1349.65    186.833 387.224 27.968  387.224 27.968  -0.000000      0.000000 
1 1 1 -12 0  24 o 111.979  26.348  127.224    44.753  127.224    44.753  127.224    44.753  111.979 26.348  111.979 26.348  0.000000       0.000000 
1 1 1 -12 0  25 o 368.711  27.337  1225.15    173.768 1225.15    173.768 1225.15    173.768 368.711 27.337  368.711 27.337  0.000000       0.000000 
1 1 1 -12 0  26 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -12 0  27 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -12 0  28 o 364.666  27.391  1201.59    172.147 1201.59    172.147 1201.59    172.147 364.666 27.391  364.666 27.391  -0.000000      0.000000 
1 1 1 -12 0  29 o 677.739  42.066  4238.50    493.408 4238.50    493.408 4238.50    493.408 677.739 42.066  677.739 42.066  -0.000000      0.000000 
1 1 1 -12 0  30 o 278.920  24.310  705.241    116.323 705.241    116.323 705.241    116.323 278.920 24.310  278.920 24.310  -0.000000      0.000000 
1 1 1 -12 0  31 o 229.531  23.082  480.613    90.364  480.613    90.364  480.613    90.364  229.531 23.082  229.531 23.082  0.000000       0.000000 
1 1 1 -12 0  32 o 291.256  24.741  770.178    123.732 770.178    123.732 770.178    123.732 291.256 24.741  291.256 24.741  0.000000       0.000000 
1 1 1 -12 0  33 o 425.672  29.881  1651.11    219.578 1651.11    219.578 1651.11    219.578 425.672 29.881  425.672 29.881  0.000000       0.000000 
1 1 1 -12 0  34 o 478.172  32.327  2096.63    267.074 2096.63    267.074 2096.63    267.074 478.172 32.327  478.172 32.327  -0.000000      0.000000 
1 1 1 -12 0  35 f 332.065  26.215  1005.46    149.816 1005.46    149.816 1005.46    149.816 332.065 26.215  332.065 26.215  -0.000000      0.000000 
1 1 1 -12 0  36 o ?        ?       -27.3463   4.0215  -27.3463   4.0215  -27.3463   4.0215  ?       ?       ?       ?       -0.000000      0.000000 
1 1 1 -12 0  37 o 337.175  18.874  1017.77    110.322 1017.77    110.322 1017.77    110.322 337.175 18.874  337.175 18.874  0.000000       0.000000 
1 1 1 -12 0  38 o 192.210  15.707  332.805    51.903  332.805    51.903  332.805    51.903  192.210 15.707  192.210 15.707  0.000000       0.000000 
1 1 1 -12 0  39 o 314.390  17.637  885.420    96.122  885.420    96.122  885.420    96.122  314.390 17.637  314.390 17.637  0.000000       0.000000 
1 1 1 -12 0  40 o 120.907  14.919  134.896    30.208  134.896    30.208  134.896    30.208  120.907 14.919  120.907 14.919  -0.000000      0.000000 
1 1 1 -12 0  41 o 114.888  24.149  132.768    42.654  132.768    42.654  132.768    42.654  114.888 24.149  114.888 24.149  0.000000       0.000000 
1 1 1 -12 0  42 o 304.588  25.306  862.316    132.446 862.316    132.446 862.316    132.446 304.588 25.306  304.588 25.306  0.000000       0.000000 
1 1 1 -12 0  43 o 36.995   19.238  17.950     16.155  17.950     16.155  17.950     16.155  36.995  19.238  36.995  19.238  0.000000       0.000000 
1 1 1 -12 0  44 o 161.794  15.102  238.706    41.811  238.706    41.811  238.706    41.811  161.794 15.102  161.794 15.102  -0.000000      0.000000 
1 1 1 -12 0  45 o 180.616  15.111  296.608    46.888  296.608    46.888  296.608    46.888  180.616 15.111  180.616 15.111  -0.000000      0.000000 
1 1 1 -12 0  46 o 93.756   16.801  85.554     24.876  85.554     24.876  85.554     24.876  93.756  16.801  93.756  16.801  0.000000       0.000000 
1 1 1 -12 0  47 o 117.547  15.519  129.735    30.307  129.735    30.307  129.735    30.307  117.547 15.519  117.547 15.519  -0.000000      0.000000 
1 1 1 -12 0  48 o 15.158   10.569  -9.3972    10.127  -9.3972    10.127  -9.3972    10.127  15.158  10.569  15.158  10.569  -0.000000      0.000000 
1 1 1 -12 0  49 f 419.549  21.088  1639.14    153.593 1639.14    153.593 1639.14    153.593 419.549 21.088  419.549 21.088  -0.000000      0.000000 
1 1 1 -12 0  50 o 49.536   20.725  31.567     17.967  31.567     17.967  31.567     17.967  49.536  20.725  49.536  20.725  -0.000000      0.000000 
1 1 1 -12 0  51 o 55.303   21.167  38.005     19.294  38.005     19.294  38.005     19.294  55.303  21.167  55.303  21.167  -0.000000      0.000000 
1 1 1 -12 0  52 o 269.629  16.875  673.388    78.731  673.388    78.731  673.388    78.731  269.629 16.875  269.629 16.875  -0.000000      0.000000 
1 1 1 -12 0  53 o 149.368  15.403  209.381    39.195  209.381    39.195  209.381    39.195  149.368 15.403  149.368 15.403  -0.000000      0.000000 
1 1 1 -12 0  54 f 19.908   13.849  -13.9981   17.114  -13.9981   17.114  -13.9981   17.114  19.908  13.849  19.908  13.849  -0.000000      0.000000 
1 1 1 -12 0  55 o 211.404  24.350  454.498    86.784  454.498    86.784  454.498    86.784  211.404 24.350  211.404 24.350  -0.000000      0.000000 
1 1 1 -12 0  56 o 49.718   25.848  37.370     29.157  37.370     29.157  37.370     29.157  49.718  25.848  49.718  25.848  -0.000000      0.000000 
1 1 1 -12 0  57 o 163.224  24.623  280.609    65.457  280.609    65.457  280.609    65.457  163.224 24.623  163.224 24.623  0.000000       0.000000 
1 1 1 -12 0  58 o 56.861   27.396  49.688     31.538  49.688     31.538  49.688     31.538  56.861  27.396  56.861  27.396  0.000000       0.000000 
1 1 1 -12 0  59 o 63.234   22.894  51.172     23.202  51.172     23.202  51.172     23.202  63.234  22.894  63.234  22.894  -0.000000      0.000000 
1 1 1 -12 0  60 o 30.362   18.444  10.451     18.221  10.451     18.221  10.451     18.221  30.362  18.444  30.362  18.444  0.000000       0.000000 
1 1 1 -12 0  61 f 41.403   21.449  26.062     20.024  26.062     20.024  26.062     20.024  41.403  21.449  41.403  21.449  -0.000000      0.000000 
1 1 1 -12 0  62 o 99.008   19.582  105.495    30.092  105.495    30.092  105.495    30.092  99.008  19.582  99.008  19.582  0.000000       0.000000 
1 1 1 -12 1  1  o 157.154  10.239  217.376    27.944  234.655    39.246  199.609    39.797  162.766 13.944  149.764 15.440  13.00235       20.80443 
1 1 1 -12 1  2  o 508.953  15.886  2282.62    141.173 2195.20    199.532 2370.24    199.767 496.590 23.012  516.372 22.156  -19.78183      31.94451 
1 1 1 -12 1  3  o 191.331  10.362  321.780    34.488  305.489    48.623  338.275    48.925  185.684 15.129  195.579 14.429  -9.895004      20.90598 
1 1 1 -12 1  4  o 74.148   11.538  49.359     14.452  46.917     20.809  51.634     20.086  71.523  16.926  75.181  15.803  -3.657951      23.15626 
1 1 1 -12 1  5  o 160.772  11.179  227.746    31.187  214.453    53.672  234.523    38.320  154.305 20.423  162.805 13.605  -8.500916      24.53916 
1 1 1 -12 1  6  o 504.480  17.807  2246.73    156.852 2122.90    271.590 2308.70    192.134 483.301 32.371  510.074 21.573  -26.77267      38.90042 
1 1 1 -12 1  7  o 189.926  11.486  317.511    37.911  349.915    65.942  301.512    46.334  198.011 19.319  184.607 14.491  13.40388       24.14927 
1 1 1 -12 1  8  o 115.072  11.983  117.418    23.724  90.017     40.719  131.499    29.190  98.644  23.894  121.527 14.013  -22.88377      27.69971 
1 1 1 -12 1  9  o 155.485  11.782  213.266    31.748  221.167    54.784  209.270    38.957  156.763 20.506  153.566 14.709  3.196976       25.23591 
1 1 1 -12 1  10 o 77.486   13.271  54.195     17.309  33.920     29.163  65.222     21.507  64.176  21.797  84.867  15.066  -20.69060      26.49657 
1 1 1 -12 1  11 o 284.308  13.328  709.938    66.162  612.111    114.315 759.213    81.131  260.789 25.428  293.218 15.906  -32.42841      29.99311 
1 1 1 -12 1  12 o 197.481  10.046  342.509    34.524  340.651    48.729  344.381    48.921  196.344 14.312  197.426 14.288  -1.082657      20.22353 
1 1 1 -12 1  13 o 219.931  10.328  423.800    39.661  409.270    56.059  438.362    56.120  215.188 15.014  222.829 14.503  -7.640533      20.87473 
1 1 1 -12 1  14 o 221.061  10.412  428.189    40.190  399.810    56.957  456.331    56.718  212.600 15.449  227.395 14.359  -14.79575      21.09125 
1 1 1 -12 1  15 o 28.251   11.388  3.0479     8.6462  5.7311     11.783  -0.0822    12.727  34.134  13.447  31.248  13.302  2.885738       18.91425 
1 1 1 -12 1  16 o 344.490  12.463  1041.47    74.963  1032.50    106.150 1050.40    105.877 341.618 17.858  344.625 17.654  -3.006622      25.11130 
1 1 1 -12 1  17 o 273.080  11.187  653.796    53.342  584.619    74.671  725.886    76.226  257.034 16.729  286.824 15.275  -29.79016      22.65392 
1 1 1 -12 1  18 o 140.248  10.502  173.319    25.532  164.393    35.097  183.351    37.210  135.891 15.044  143.599 15.065  -7.707947      21.29012 
1 1 1 -12 1  19 o 105.225  11.762  98.314     21.240  86.072     29.405  111.671    30.713  97.258  17.978  111.459 16.260  -14.20119      24.24034 
1 1 1 -12 1  20 o 529.892  18.410  2479.91    170.339 2176.22    294.565 2632.49    208.789 488.140 34.788  544.627 21.956  -56.48709      41.13670 
1 1 1 -12 1  21 o 303.992  13.608  811.967    72.228  685.286    123.198 878.314    89.158  275.853 25.880  315.333 16.248  -39.47952      30.55805 
1 1 1 -12 1  22 o 143.404  11.350  181.461    28.187  187.320    38.421  174.633    41.478  145.080 15.403  139.650 17.387  5.430435       23.22821 
1 1 1 -12 1  23 o 187.621  10.812  309.615    35.271  273.402    48.313  350.940    51.611  175.468 15.943  199.154 14.951  -23.68576      21.85667 
1 1 1 -12 1  24 o 192.060  10.636  324.336    35.529  311.428    40.997  363.271    71.204  187.920 12.567  201.460 20.529  -13.53949      24.06977 
1 1 1 -12 1  25 o ?        ?       -269.3040  5.9541  -297.8540  9.1283  -248.1629  7.8551  ?       ?       ?       ?       0.000000       ?        
1 1 1 -12 1  26 f 323.747  12.661  920.569    71.572  935.781    101.473 905.509    100.965 324.950 17.954  319.578 18.169  5.372620       25.54315 
1 1 1 -12 1  27 o 301.797  11.405  799.164    60.098  831.371    85.393  767.556    84.596  306.672 16.003  294.515 16.517  12.15787       22.99789 
1 1 1 -12 1  28 o 357.290  13.287  1122.30    82.894  1221.48    117.461 1023.89    117.001 371.638 18.101  339.268 19.837  32.37042       26.85456 
1 1 1 -12 1  29 o 264.892  11.099  615.679    51.336  673.064    72.672  558.519    72.529  275.964 15.140  250.980 16.645  24.98416       22.50023 
1 1 1 -12 1  30 o 332.391  12.983  971.453    75.351  991.503    106.811 951.590    106.316 334.133 18.378  327.225 18.685  6.907196       26.20871 
1 1 1 -12 1  31 o 444.698  15.164  1743.95    117.744 1816.44    166.727 1671.83    166.305 451.719 21.139  432.453 22.098  19.26529       30.58056 
1 1 1 -12 1  32 o 485.729  15.560  2082.64    131.966 2166.94    186.831 1998.70    186.426 492.910 21.708  472.983 22.573  19.92682       31.31764 
1 1 1 -12 1  33 o 448.312  15.281  1774.30    119.621 1855.11    169.291 1693.73    169.048 456.052 21.260  434.755 22.345  21.29736       30.84243 
1 1 1 -12 1  34 o 51.676   13.377  24.402     12.164  21.758     18.338  26.479     16.255  51.241  17.285  54.300  16.036  -3.059357      23.57785 
1 1 1 -12 1  35 o 227.725  11.148  455.754    44.326  469.421    62.496  441.919    62.879  229.864 15.664  222.844 16.272  7.020203       22.58681 
1 1 1 -12 1  36 o 406.245  14.105  1457.08    100.050 1387.28    141.396 1527.07    141.590 393.390 20.657  413.745 19.599  -20.35477      28.47541 
1 1 1 -12 1  37 o 80.244   11.446  57.774     15.583  64.444     21.858  50.881     22.221  84.035  15.466  74.210  17.444  9.825378       23.31286 
1 1 1 -12 1  38 o 198.794  10.555  348.442    36.505  366.577    51.640  330.327    51.611  203.006 14.667  192.444 15.491  10.56155       21.33271 
1 1 1 -12 1  39 o 148.962  10.193  195.991    26.352  196.651    37.411  195.342    37.124  148.313 14.637  147.829 14.572  0.4831848      20.65414 
1 1 1 -12 1  40 o 70.313   14.160  45.310     16.783  59.219     20.674  18.436     28.738  80.403  15.285  54.840  21.172  25.56272       26.11264 
1 1 1 -12 1  41 o 350.999  15.258  1095.12    93.512  1177.04    114.597 931.859    161.774 362.576 18.101  314.889 29.776  47.68735       34.84672 
1 1 1 -12 1  42 o 98.063   12.696  86.434     21.228  93.174     26.136  73.371     36.388  101.272 15.254  88.123  23.295  13.14837       27.84488 
1 1 1 -12 1  43 o 55.282   15.027  28.106     14.885  43.978     18.686  0.5492     24.622  68.882  15.864  43.237  18.456  25.64503       24.33658 
1 1 1 -12 1  44 o 265.016  16.463  631.088    75.803  655.822    106.925 606.097    107.480 266.523 23.208  255.432 24.395  11.09125       33.67100 
1 1 1 -12 1  45 o 101.199  15.523  93.531     26.553  143.454    37.138  41.318     37.980  125.180 17.467  70.185  24.819  54.99552       30.34904 
1 1 1 -12 1  46 o 91.173   15.693  76.433     24.082  74.639     33.192  78.427     34.993  88.572  21.646  90.671  22.266  -2.099434      31.05309 
1 1 1 -12 1  47 o 221.306  22.626  456.607    86.202  456.607    86.202  0.0000     0.0000  221.306 22.626  ?       ?       0.000000       22.62637 
1 1 1 -12 1  48 o 164.396  11.882  241.223    33.878  257.000    41.634  210.305    58.281  168.922 14.248  148.964 23.159  19.95848       27.19148 
1 1 1 -12 1  49 o 243.723  12.932  531.373    54.836  533.865    67.240  526.424    94.752  242.789 15.950  236.404 23.256  6.385025       28.19975 
1 1 1 -12 1  50 o 217.038  12.545  421.621    47.339  417.733    58.080  429.314    81.707  214.600 15.607  213.565 22.237  1.035263       27.16761 
1 1 1 -12 1  51 o 119.615  12.155  128.886    25.033  128.430    30.470  129.831    43.908  118.443 15.075  116.034 22.484  2.408600       27.07000 
1 1 1 -12 1  52 o 106.931  10.280  102.383    18.957  72.129     26.116  136.074    27.560  87.339  17.731  122.553 13.081  -35.21420      22.03404 
1 1 1 -12 1  53 o 92.581   10.476  77.127     16.637  51.308     22.630  107.495    24.543  73.332  17.843  108.651 13.209  -35.31872      22.20025 
1 1 1 -12 1  54 o 76.168   11.546  52.932     14.874  43.691     20.253  63.754     21.916  67.717  17.120  82.410  15.806  -14.69287      23.30039 
1 1 1 -12 1  55 o 41.122   13.395  14.847     11.037  16.714     14.931  12.599     16.387  44.741  15.581  42.526  16.092  2.214794       22.39906 
1 1 1 -12 1  56 o 163.201  10.415  238.428    29.522  229.899    41.496  247.171    42.011  158.053 15.225  164.142 14.818  -6.089828      21.24526 
1 1 1 -12 1  57 o 135.129  10.545  164.027    24.684  161.656    34.510  166.510    35.320  132.170 15.232  134.100 15.362  -1.929413      21.63342 
1 1 1 -12 1  58 f 342.820  13.005  1064.18    77.846  1106.24    110.076 1022.09    110.106 342.983 18.448  328.577 19.276  14.40607       26.68158 
1 1 1 -12 1  59 o 190.999  12.532  331.332    41.562  335.035    50.772  323.809    72.358  190.202 15.421  180.430 23.527  9.772064       28.13081 
1 1 1 -12 1  60 o 40.942   16.378  9.1174     17.736  21.530     24.644  -4.2185    25.544  52.433  19.760  40.941  18.111  11.49155       26.80435 
1 1 1 -12 1  61 o 110.746  16.542  116.599    31.007  121.206    43.533  111.855    44.174  108.657 23.620  103.517 24.771  5.139999       34.22683 
1 1 1 -12 1  62 o 102.381  13.320  97.329     23.248  70.550     39.143  111.922    28.896  81.830  25.049  108.717 15.675  -26.88712      29.54954 
1 1 1 -12 2  1  f 71.294   17.792  46.676     22.077  0.0000     0.0000  46.676     22.077  ?       ?       71.294  17.792  0.000000       17.79152 
1 1 1 -12 2  2  o 68.576   17.526  43.124     21.065  0.0000     0.0000  43.124     21.065  ?       ?       68.576  17.526  0.000000       17.52638 
1 1 1 -12 2  3  o 267.596  16.331  633.806    75.938  0.0000     0.0000  633.806    75.938  ?       ?       267.596 16.331  0.000000       16.33065 
1 1 1 -12 2  4  o 110.521  15.580  109.675    29.233  0.0000     0.0000  109.675    29.233  ?       ?       110.521 15.580  0.000000       15.58037 
1 1 1 -12 2  5  o 285.391  16.566  720.684    82.197  0.0000     0.0000  720.684    82.197  ?       ?       285.391 16.566  0.000000       16.56620 
1 1 1 -12 2  6  o 190.189  14.886  320.270    49.038  0.0000     0.0000  320.270    49.038  ?       ?       190.189 14.886  0.000000       14.88560 
1 1 1 -12 2  7  o 312.831  13.335  859.927    72.841  687.746    125.496 947.403    89.450  276.033 26.358  327.964 15.620  -51.93054      30.63918 
1 1 1 -12 2  8  o 365.966  12.392  1175.77    79.188  1148.19    112.162 1203.17    111.815 360.588 17.814  369.229 17.344  -8.641083      24.86274 
1 1 1 -12 2  9  o 119.313  9.8851  125.566    20.408  118.172    28.595  133.243    29.135  115.011 14.566  122.347 13.884  -7.336052      20.12298 
1 1 1 -12 2  10 o 50.994   12.831  23.725     11.415  22.603     16.934  24.659     15.454  51.373  16.581  52.596  15.661  -1.223728      22.80767 
1 1 1 -12 2  11 o 204.606  10.465  367.853    37.260  340.995    53.020  394.061    52.374  196.181 15.607  211.217 14.285  -15.03632      21.15770 
1 1 1 -12 2  12 o 111.859  9.6524  110.405    18.668  139.151    27.033  84.201     25.810  125.287 12.525  96.548  15.861  28.73927       20.21034 
1 1 1 -12 2  13 o 372.792  12.716  1220.22    82.769  1241.89    117.092 1198.58    117.013 375.050 17.880  368.379 18.192  6.670349       25.50783 
1 1 1 -12 2  14 o 466.728  14.971  1916.81    122.002 1905.17    172.611 1928.43    172.461 463.441 21.331  466.313 21.181  -2.871857      30.06090 
1 1 1 -12 2  15 o 67.428   13.532  41.360     15.378  22.507     21.960  59.501     21.541  53.726  18.885  80.832  15.829  -27.10625      24.64145 
1 1 1 -12 2  16 o 156.141  10.588  214.663    28.696  228.883    40.816  200.762    40.354  160.645 14.715  150.209 15.614  10.43610       21.45523 
1 1 1 -12 2  17 o 613.127  18.165  3320.40    194.465 3220.55    274.997 3420.26    275.033 600.073 26.246  618.839 25.453  -18.76532      36.56113 
1 1 1 -12 2  18 o 256.735  10.870  577.871    48.729  570.117    69.048  585.565    68.781  253.968 15.647  257.452 15.371  -3.484604      21.93363 
1 1 1 -12 2  19 o 103.695  11.072  95.348     19.736  89.828     28.422  100.488    27.428  99.577  16.954  105.777 15.294  -6.199608      22.83340 
1 1 1 -12 2  20 o 93.401   11.609  77.695     18.524  79.869     27.684  75.932     24.925  93.644  17.577  91.504  16.193  2.140076       23.89881 
1 1 1 -12 2  21 o 423.564  13.905  1577.39    102.836 1489.36    144.936 1666.64    145.934 409.962 20.247  433.982 19.258  -24.02051      27.94366 
1 1 1 -12 2  22 o 318.966  12.157  893.098    67.708  902.285    94.897  883.573    96.633  319.313 17.082  315.846 17.592  3.467712       24.52126 
1 1 1 -12 2  23 o 458.980  15.161  1855.10    121.498 1988.19    140.316 1456.31    242.885 474.656 16.930  397.823 35.334  76.83282       39.18067 
1 1 1 -12 2  24 o 424.098  14.468  1582.85    107.140 1638.35    123.641 1415.56    214.663 430.972 16.431  394.144 31.454  36.82755       35.48648 
1 1 1 -12 2  25 o 350.068  12.403  1076.33    75.815  904.286    87.422  1598.24    152.267 320.309 15.631  424.370 20.549  -104.0605      25.81872 
1 1 1 -12 2  26 o 397.722  15.699  1394.63    109.025 1496.97    133.430 1189.05    189.114 411.252 18.582  361.358 30.251  49.89380       35.50201 
1 1 1 -12 2  27 o 51.807   15.159  24.073     14.586  38.601     21.804  12.306     19.623  65.165  18.371  45.587  17.523  19.57834       25.38805 
1 1 1 -12 2  28 o 291.374  11.972  745.695    60.909  803.547    86.557  688.948    85.726  301.208 16.521  278.529 17.719  22.67868       24.22618 
1 1 1 -12 2  29 o 86.008   11.677  66.137     17.083  62.875     25.104  68.951     23.312  82.733  17.898  87.066  15.921  -4.332680      23.95494 
1 1 1 -12 2  30 o 162.032  9.7035  231.005    27.327  270.000    39.449  195.032    37.890  174.714 13.025  148.003 14.863  26.71100       19.76250 
1 1 1 -12 2  31 o 96.643   10.822  82.999     17.949  99.171     26.326  68.953     24.534  105.046 14.760  86.871  16.782  18.17521       22.34974 
1 1 1 -12 2  32 o 126.969  9.3087  142.095    20.493  160.122    29.918  126.160    28.128  134.272 12.921  118.877 13.809  15.39503       18.91093 
1 1 1 -12 2  33 o 139.221  11.230  171.407    27.067  158.310    47.189  177.829    33.042  131.572 21.266  141.419 13.547  -9.846771      25.21441 
1 1 1 -12 2  34 f 226.549  12.304  453.098    48.488  408.106    83.720  475.807    59.479  212.027 22.982  231.615 14.784  -19.58800      27.32661 
1 1 1 -12 2  35 f 222.069  12.638  435.887    48.800  492.890    84.367  407.225    59.824  233.809 20.885  213.783 16.146  20.02615       26.39852 
1 1 1 -12 2  36 o 28.495   11.495  3.1325     8.8174  9.5529     14.710  -0.4678    11.016  39.680  15.191  28.765  12.313  10.91431       19.55455 
1 1 1 -12 2  37 o 126.881  11.629  142.947    25.476  126.499    43.556  151.501    31.409  116.734 22.180  130.169 14.042  -13.43495      26.25135 
1 1 1 -12 2  38 o 229.457  13.008  466.496    51.903  547.356    89.715  425.818    63.632  245.796 21.109  218.100 16.840  27.69604       27.00279 
1 1 1 -12 2  39 o 150.694  11.811  201.488    30.829  243.192    52.995  180.157    37.901  163.760 18.880  141.575 15.591  22.18503       24.48494 
1 1 1 -12 2  40 o 344.899  14.893  1056.71    89.691  1183.08    155.222 993.373    109.893 358.680 24.940  332.105 19.030  26.57501       31.37116 
1 1 1 -12 2  41 o 55.385   16.296  27.861     16.813  36.491     23.277  18.446     24.312  63.413  19.297  52.073  19.626  11.33974       27.52370 
1 1 1 -12 2  42 o 42.203   13.543  15.447     11.310  2.5560     21.398  20.445     13.323  41.371  17.411  47.833  14.609  -6.461601      22.72824 
1 1 1 -12 2  43 o 175.899  11.411  274.572    34.857  239.407    60.559  291.993    42.625  160.583 22.191  180.813 13.601  -20.22975      26.02750 
1 1 1 -12 2  44 o 76.841   11.091  53.225     14.449  63.412     28.741  49.779     16.716  81.974  20.208  73.737  13.480  8.237068       24.29160 
1 1 1 -12 2  45 o 91.011   10.843  74.228     16.892  97.264     33.196  66.178     19.623  101.991 19.348  85.209  13.650  16.78200       23.67856 
1 1 1 -12 2  46 o 123.417  10.047  135.387    21.462  120.683    42.546  140.405    24.856  112.630 22.422  125.363 11.483  -12.73286      25.19168 
1 1 1 -12 2  47 o 153.587  10.099  209.397    26.933  187.865    53.365  216.756    31.198  140.965 22.433  155.885 11.544  -14.92021      25.22885 
1 1 1 -12 2  48 o 227.085  10.656  456.929    42.253  484.999    84.209  447.485    48.846  228.112 21.392  223.760 12.553  4.351639       24.80295 
1 1 1 -12 2  49 o 51.467   13.592  24.570     12.396  20.021     16.571  30.349     18.678  48.469  16.430  57.374  17.247  -8.905781      23.82079 
1 1 1 -12 2  50 o 115.951  12.220  121.223    24.367  118.418    29.512  127.231    43.191  113.599 15.265  114.908 22.331  -1.309631      27.05036 
1 1 1 -12 2  51 o 78.537   13.470  56.818     17.807  54.374     21.727  61.821     31.080  75.858  16.842  79.830  21.720  -3.972229      27.48441 
1 1 1 -12 2  52 o 106.090  12.334  102.015    22.421  98.074     27.094  110.575    39.936  102.901 15.566  106.578 22.182  -3.676506      27.09881 
1 1 1 -12 2  53 o 111.237  11.983  111.963    22.906  94.694     27.732  149.038    40.636  100.674 16.336  125.469 19.156  -24.79405      25.17591 
1 1 1 -12 2  54 o 188.618  11.975  320.153    39.235  287.347    47.749  388.338    68.840  176.806 15.628  202.895 19.679  -26.08830      25.12949 
1 1 1 -12 2  55 f 121.716  11.821  134.056    24.806  117.392    29.773  171.871    44.852  112.371 15.595  134.131 19.741  -21.75977      25.15783 
1 1 1 -12 2  56 o 68.444   13.726  43.864     15.833  38.371     18.791  57.310     29.399  63.329  16.740  76.227  21.277  -12.89833      27.07280 
1 1 1 -12 2  57 o 40.566   14.280  13.509     12.560  5.3035     17.872  21.517     17.656  38.973  16.118  49.571  16.959  -10.59884      23.39680 
1 1 1 -12 2  58 o 82.805   18.016  66.437     25.308  0.0000     0.0000  66.437     25.308  ?       ?       82.805  18.016  0.000000       18.01621 
1 1 1 -12 2  59 o 108.320  16.755  111.420    30.667  0.0000     0.0000  111.420    30.667  ?       ?       108.320 16.755  0.000000       16.75488 
1 1 1 -12 2  60 o 65.164   19.008  41.618     22.963  0.0000     0.0000  41.618     22.963  ?       ?       65.164  19.008  0.000000       19.00773 
1 1 1 -12 2  61 o 74.095   15.566  52.724     19.498  40.243     32.600  59.676     24.329  65.045  22.995  77.841  18.222  -12.79617      29.33916 
1 1 1 -12 3  1  o 409.308  28.883  1521.12    205.098 0.0000     0.0000  1521.12    205.098 ?       ?       409.308 28.883  0.000000       28.88321 
1 1 1 -12 3  2  o 318.345  17.815  899.201    98.627  834.563    139.966 962.948    138.998 303.630 26.671  327.175 24.509  -23.54477      36.22225 
1 1 1 -12 3  3  o ?        ?       -100.9453  5.8598  -71.3244   9.1641  -121.4325  7.6214  ?       ?       ?       ?       0.000000       ?        
1 1 1 -12 3  4  o 158.475  11.042  221.400    30.364  204.599    36.942  256.383    53.306  151.836 14.095  169.263 18.329  -17.42726      23.12221 
1 1 1 -12 3  5  o 10.508   5.0799  -4.6258    2.8358  -3.9956    2.9025  -17.8692   13.306  11.125  5.3158  23.917  11.415  -12.79162      12.59192 
1 1 1 -12 3  6  o 54.899   13.034  27.551     12.308  15.827     15.643  46.597     19.939  45.237  15.936  71.279  16.366  -26.04183      22.84309 
1 1 1 -12 3  7  f 146.766  10.537  189.840    26.824  169.283    38.124  209.994    37.749  137.624 16.173  153.839 14.214  -16.21474      21.53156 
1 1 1 -12 3  8  o 260.353  13.137  597.261    59.526  484.414    102.912 653.998    72.971  231.197 25.940  272.008 15.428  -40.81094      30.18149 
1 1 1 -12 3  9  o 209.515  12.389  386.845    45.121  309.763    77.398  426.529    55.534  184.693 24.613  219.658 14.562  -34.96532      28.59803 
1 1 1 -12 3  10 o 286.315  13.457  720.700    67.274  636.950    116.132 762.998    82.532  265.711 25.338  293.717 16.155  -28.00537      30.04996 
1 1 1 -12 3  11 o 411.060  16.117  1489.94    115.679 1252.57    200.091 1609.11    141.774 370.723 31.201  426.346 19.045  -55.62280      36.55416 
1 1 1 -12 3  12 o 293.301  13.502  756.298    69.148  769.586    120.278 749.738    84.510  292.852 23.726  291.028 16.701  1.824371       29.01422 
1 1 1 -12 3  13 o 317.241  13.663  884.935    75.681  940.982    131.225 857.002    92.640  324.144 23.342  311.109 17.120  13.03458       28.94692 
1 1 1 -12 3  14 o 704.465  23.557  4424.93    289.760 4019.59    501.758 4627.74    354.925 653.261 44.250  717.085 28.347  -63.82416      52.55098 
1 1 1 -12 3  15 o 492.916  17.708  2146.76    152.403 1943.33    263.869 2248.59    186.691 461.218 32.983  503.153 21.250  -41.93539      39.23606 
1 1 1 -12 3  16 o 188.601  11.659  313.346    38.205  286.947    66.409  326.406    46.708  178.423 21.768  192.131 14.020  -13.70776      25.89182 
1 1 1 -12 3  17 o 205.371  15.539  373.729    55.309  338.943    77.628  409.595    78.824  193.667 23.433  213.698 21.413  -20.03041      31.74289 
1 1 1 -12 3  18 o 222.398  15.712  438.083    60.621  405.675    84.774  471.998    86.721  212.142 23.268  229.388 21.919  -17.24525      31.96594 
1 1 1 -12 3  19 o 232.797  15.876  479.986    64.148  434.645    89.840  527.147    91.625  219.484 23.825  242.520 21.873  -23.03648      32.34283 
1 1 1 -12 3  20 o 277.435  16.718  681.829    80.606  636.810    113.307 727.954    114.692 265.811 24.695  284.819 23.265  -19.00851      33.92849 
1 1 1 -12 3  21 o 262.505  16.714  610.750    76.209  595.776    107.574 625.837    107.980 257.142 24.245  263.780 23.697  -6.637543      33.90278 
1 1 1 -12 3  22 o 323.895  18.133  930.989    102.141 930.989    102.141 0.0000     0.0000  323.895 18.133  ?       ?       0.000000       18.13347 
1 1 1 -12 3  23 o 445.642  21.068  1765.90    163.938 1765.90    163.938 0.0000     0.0000  445.642 21.068  ?       ?       0.000000       21.06830 
1 1 1 -12 3  24 o 252.450  16.144  564.777    70.789  564.777    70.789  0.0000     0.0000  252.450 16.144  ?       ?       0.000000       16.14384 
1 1 1 -12 3  25 o 99.633   16.105  89.796     27.062  89.796     27.062  0.0000     0.0000  99.633  16.105  ?       ?       0.000000       16.10495 
1 1 1 -12 3  26 o 249.144  16.012  550.303    69.287  550.303    69.287  0.0000     0.0000  249.144 16.012  ?       ?       0.000000       16.01196 
1 1 1 -12 3  27 o 246.814  15.275  539.537    65.506  605.123    93.191  475.480    92.098  259.941 20.704  229.423 23.314  30.51758       31.18031 
1 1 1 -12 3  28 o 160.109  14.214  227.676    39.323  243.823    56.155  212.139    55.082  164.429 19.969  152.896 21.203  11.53246       29.12617 
1 1 1 -12 3  29 o 77.782   14.042  54.930     18.369  47.787     23.657  65.775     29.150  72.033  18.659  84.315  20.086  -12.28178      27.41591 
1 1 1 -12 3  30 o 307.528  11.716  831.472    62.909  884.055    89.233  779.512    88.703  315.688 16.244  296.085 17.232  19.60269       23.68128 
1 1 1 -12 3  31 o 219.325  10.824  422.602    41.450  446.819    59.101  399.160    58.148  224.352 15.176  211.835 15.835  12.51697       21.93340 
1 1 1 -12 3  32 o 63.342   12.307  36.516     13.121  47.141     20.609  29.272     17.015  71.512  16.792  56.815  16.302  14.69720       23.40306 
1 1 1 -12 3  33 o 150.950  12.630  202.179    32.982  187.753    41.088  228.317    55.308  144.573 16.576  158.544 20.456  -13.97069      26.32903 
1 1 1 -12 3  34 o 39.374   13.638  12.352     11.432  19.015     15.460  4.3130     16.981  47.585  15.871  38.370  15.774  9.214886       22.37653 
1 1 1 -12 3  35 f 150.896  11.882  201.859    31.054  194.943    38.701  214.362    52.036  147.546 15.242  153.519 19.879  -5.972870      25.04970 
1 1 1 -12 3  36 o 174.356  11.212  268.830    33.953  300.641    42.300  211.215    56.928  183.975 13.257  151.512 22.175  32.46236       25.83550 
1 1 1 -12 3  37 o 214.257  11.618  405.968    43.303  455.966    53.496  310.951    73.747  226.588 13.584  183.660 23.538  42.92796       27.17680 
1 1 1 -12 3  38 o 319.000  13.924  902.070    77.557  932.144    95.295  843.070    133.475 322.676 16.973  302.127 25.541  20.54895       30.66650 
1 1 1 -12 3  39 o 206.785  12.351  379.401    44.391  370.700    54.902  395.829    75.441  203.433 15.575  208.140 21.047  -4.707809      26.18317 
1 1 1 -12 3  40 o 212.590  12.464  401.358    46.066  409.111    56.921  386.641    78.423  213.715 15.356  204.904 22.278  8.810989       27.05785 
1 1 1 -12 3  41 o 63.628   14.010  37.362     15.143  39.168     20.148  35.016     22.958  64.932  17.413  62.175  19.209  2.756847       25.92640 
1 1 1 -12 3  42 o 76.391   12.483  53.024     16.076  64.660     20.911  36.209     25.137  83.975  14.802  63.440  20.173  20.53530       25.02094 
1 1 1 -12 3  43 o 94.103   12.228  79.799     19.618  90.425     34.295  74.631     23.917  97.864  20.716  90.043  15.788  7.821877       26.04627 
1 1 1 -12 3  44 o 157.005  11.346  219.453    30.894  226.717    53.253  215.767    37.930  156.555 19.933  154.835 14.187  1.719543       24.46660 
1 1 1 -12 3  45 f 169.243  9.9320  253.907    29.222  221.135    58.249  264.928    33.780  153.214 22.438  172.518 11.276  -19.30376      25.11227 
1 1 1 -12 3  46 o 101.417  10.335  91.937     18.046  63.669     36.189  101.292    20.819  81.436  23.893  106.246 11.400  -24.80977      26.47333 
1 1 1 -12 3  47 o 224.929  10.462  448.356    41.089  425.658    81.997  455.967    47.481  212.635 22.423  225.971 12.077  -13.33563      25.46894 
1 1 1 -12 3  48 o 71.192   11.943  46.319     14.320  48.048     28.721  45.747     16.520  71.194  21.385  70.240  13.962  0.9533005      25.53869 
1 1 1 -12 3  49 o 156.340  11.795  219.161    31.960  0.0000     0.0000  219.161    31.960  ?       ?       156.340 11.795  0.000000       11.79470 
1 1 1 -12 3  50 o 71.370   22.000  48.597     30.133  0.0000     0.0000  48.597     30.133  ?       ?       71.370  22.000  0.000000       21.99985 
1 1 1 -12 3  51 o 80.613   16.191  61.202     21.998  52.926     29.881  70.994     32.504  73.929  21.716  85.135  21.778  -11.20655      30.75535 
1 1 1 -12 3  52 o 138.057  11.721  171.749    27.988  141.473    48.009  187.335    34.447  119.569 23.832  143.329 13.941  -23.75993      27.60992 
1 1 1 -12 3  53 o 61.195   21.207  33.512     27.646  0.0000     0.0000  33.512     27.646  ?       ?       61.195  21.207  0.000000       21.20727 
1 1 1 -12 3  54 o 138.483  13.941  175.618    33.251  0.0000     0.0000  175.618    33.251  ?       ?       138.483 13.941  0.000000       13.94101 
1 1 1 -12 3  55 o 78.382   13.892  57.314     18.317  28.068     30.066  74.576     23.098  58.671  21.881  89.089  15.406  -30.41787      26.76080 
1 1 1 -12 3  56 o 105.239  10.592  100.058    19.199  100.325    26.303  99.755     28.089  103.709 14.958  102.876 16.171  0.8333740      22.02771 
1 1 1 -12 3  57 o 66.414   12.843  41.232     14.355  56.095     19.059  21.748     21.822  77.086  14.696  51.354  18.730  25.73245       23.80746 
1 1 1 -12 3  58 o 25.799   11.237  -1.2774    9.4895  -1.8526    10.299  1.9564     24.418  26.556  11.632  42.474  18.261  -15.91879      21.65109 
1 1 1 -12 3  59 o 54.001   15.612  27.807     15.552  23.997     17.940  39.331     31.202  51.250  17.097  64.410  22.518  -13.16002      28.27294 
1 1 1 -12 3  60 o 61.781   16.027  37.011     17.437  22.457     20.538  74.579     32.997  50.920  18.225  85.241  22.016  -34.32132      28.58041 
1 1 1 -12 4  1  o 454.794  17.363  1831.82    137.883 1901.29    239.436 1797.35    168.655 455.923 30.249  448.786 21.523  7.136566       37.12431 
1 1 1 -12 4  2  o 311.479  12.223  852.979    66.478  872.077    94.531  834.293    93.506  313.381 17.343  306.435 17.549  6.945862       24.67293 
1 1 1 -12 4  3  o 213.944  12.899  404.124    47.960  397.329    83.199  407.506    58.694  209.572 23.121  214.246 15.801  -4.674423      28.00495 
1 1 1 -12 4  4  o 223.368  23.056  450.557    88.630  0.0000     0.0000  450.557    88.630  ?       ?       223.368 23.056  0.000000       23.05630 
1 1 1 -12 4  5  o 187.759  15.243  312.998    49.543  0.0000     0.0000  312.998    49.543  ?       ?       187.759 15.243  0.000000       15.24342 
1 1 1 -12 4  6  o 121.090  13.097  130.467    27.250  140.510    34.156  112.883    45.195  125.166 15.994  110.233 24.149  14.93316       28.96505 
1 1 1 -12 4  7  o 273.791  13.786  661.605    65.694  604.425    80.667  774.206    113.200 260.699 17.828  293.792 22.232  -33.09323      28.49723 
1 1 1 -12 4  8  o 274.465  13.488  662.955    64.637  687.219    79.540  615.772    110.915 278.438 16.433  261.039 24.626  17.39896       29.60519 
1 1 1 -12 4  9  o 365.385  15.408  1177.72    98.301  1126.42    120.572 1279.42    169.763 355.736 19.486  376.455 25.986  -20.71936      32.47992 
1 1 1 -12 4  10 o 355.961  12.924  1114.29    80.329  1091.61    113.875 1136.76    113.331 350.465 18.676  357.817 18.199  -7.351959      26.07726 
1 1 1 -12 4  11 o 342.638  12.568  1032.02    75.191  928.345    106.242 1136.06    106.431 323.051 18.917  358.478 17.004  -35.42682      25.43599 
1 1 1 -12 4  12 o 305.353  11.813  818.969    62.982  786.049    88.712  852.427    89.432  297.687 17.140  310.196 16.572  -12.50964      23.84082 
1 1 1 -12 4  13 o 290.236  13.574  741.324    68.790  693.343    84.020  838.880    119.806 279.479 17.303  305.818 22.596  -26.33896      28.46016 
1 1 1 -12 4  14 o 341.598  14.301  1027.83    85.302  912.512    104.066 1263.99    148.919 320.346 18.686  375.614 22.814  -55.26837      29.49002 
1 1 1 -12 4  15 o 187.452  13.162  310.579    42.808  268.146    52.454  395.198    74.073  173.232 17.585  209.903 20.471  -36.67137      26.98728 
1 1 1 -12 4  16 o 212.523  13.212  398.839    48.786  367.442    59.301  464.588    85.815  203.212 16.865  227.316 21.891  -24.10463      27.63454 
1 1 1 -12 4  17 o ?        ?       -145.4294  7.9349  -161.0303  8.9537  -88.3375   17.128  ?       ?       ?       ?       0.000000       ?        
1 1 1 -12 4  18 o 424.669  14.655  1589.59    108.668 1724.95    153.832 1454.76    153.527 440.578 19.997  403.355 21.881  37.22372       29.64189 
1 1 1 -12 4  19 o 452.916  14.304  1807.47    113.119 1839.77    159.836 1775.05    160.113 454.908 20.123  446.671 20.529  8.237122       28.74691 
1 1 1 -12 4  20 o 277.253  13.147  676.417    63.643  773.713    78.393  488.309    109.002 295.746 15.233  231.048 27.563  64.69788       31.49218 
1 1 1 -12 4  21 o ?        ?       -101.5829  5.4218  -142.8983  9.1274  -79.0559   6.7398  ?       ?       ?       ?       0.000000       ?        
1 1 1 -12 4  22 o 93.507   11.959  78.079     19.078  86.236     22.569  57.660     35.708  98.059  13.543  79.667  23.825  18.39210       27.40487 
1 1 1 -12 4  23 o 83.160   11.609  61.923     16.397  57.532     19.834  71.405     29.144  79.508  14.832  87.962  19.489  -8.453629      24.49083 
1 1 1 -12 4  24 o 228.042  10.177  456.348    40.521  510.465    47.212  304.983    78.959  241.051 11.217  182.391 25.490  58.66051       27.84884 
1 1 1 -12 4  25 o 95.502   10.565  81.044     17.323  96.928     20.880  45.961     31.030  104.371 11.656  71.768  22.358  32.60321       25.21444 
1 1 1 -12 4  26 o 65.197   12.841  38.713     14.098  47.757     16.972  18.586     25.320  72.403  13.931  53.079  20.023  19.32343       24.39215 
1 1 1 -12 4  27 o 147.689  11.804  193.066    30.186  223.861    37.826  139.057    50.093  158.732 13.785  122.265 24.320  36.46649       27.95534 
1 1 1 -12 4  28 o 448.231  14.535  1775.02    113.756 1943.54    161.291 1608.23    160.464 466.672 19.794  423.024 21.799  43.64767       29.44457 
1 1 1 -12 4  29 o 94.839   16.947  82.147     27.034  82.147     27.034  0.0000     0.0000  94.839  16.947  ?       ?       0.000000       16.94703 
1 1 1 -12 4  30 o 68.272   18.144  42.983     22.000  42.983     22.000  0.0000     0.0000  68.272  18.144  ?       ?       0.000000       18.14446 
1 1 1 -12 4  31 o 214.937  11.971  408.303    44.747  434.602    55.555  359.731    75.500  221.165 14.466  198.747 22.132  22.41801       26.44037 
1 1 1 -12 4  32 o 196.846  10.600  341.852    36.300  386.315    52.108  299.931    50.597  208.405 14.408  183.097 15.987  25.30823       21.52123 
1 1 1 -12 4  33 o 114.796  11.025  117.095    21.828  117.992    31.548  116.271    30.233  114.087 16.300  113.389 15.691  0.6980515      22.62510 
1 1 1 -12 4  34 o 63.433   12.938  36.833     13.844  42.822     20.563  31.868     18.723  67.980  17.285  59.124  17.140  8.856144       24.34234 
1 1 1 -12 4  35 o 177.244  9.7707  277.183    30.122  289.567    43.101  265.360    42.113  180.249 13.800  172.426 14.111  7.823318       19.73727 
1 1 1 -12 4  36 o 158.010  10.167  220.764    27.901  246.831    40.417  197.033    38.564  166.196 14.060  148.076 15.128  18.11981       20.65239 
1 1 1 -12 4  37 o 124.807  9.8576  138.006    21.307  138.270    31.356  137.779    29.042  123.814 14.797  123.883 13.653  -0.6970978E-01 20.13356 
1 1 1 -12 4  38 o 224.039  10.826  443.070    42.352  467.648    60.447  419.371    59.357  228.470 15.240  216.081 15.843  12.38953       21.98298 
1 1 1 -12 4  39 o 58.224   13.948  31.352     13.993  7.2265     29.668  38.256     15.870  49.885  20.711  64.296  14.484  -14.41115      25.27252 
1 1 1 -12 4  40 o 198.871  12.641  352.465    43.668  313.605    78.200  370.072    52.639  182.097 25.276  202.983 14.958  -20.88576      29.37049 
1 1 1 -12 4  41 o 52.260   13.892  25.217     12.895  54.781     30.426  18.745     14.236  76.161  21.783  46.519  15.216  29.64279       26.57097 
1 1 1 -12 4  42 o 147.828  13.719  196.609    35.008  0.0000     0.0000  196.609    35.008  ?       ?       147.828 13.719  0.000000       13.71924 
1 1 1 -12 4  43 o 31.989   12.183  6.4401     9.4311  0.0000     0.0000  6.4401     9.4311  ?       ?       31.989  12.183  0.000000       12.18325 
1 1 1 -12 4  44 o 227.573  11.716  461.614    46.396  0.0000     0.0000  461.614    46.396  ?       ?       227.573 11.716  0.000000       11.71592 
1 1 1 -12 4  45 o 152.532  22.941  221.951    59.207  0.0000     0.0000  221.951    59.207  ?       ?       152.532 22.941  0.000000       22.94094 
1 1 1 -12 4  46 o 46.437   18.086  13.236     21.116  13.236     21.116  0.0000     0.0000  46.437  18.086  ?       ?       0.000000       18.08616 
1 1 1 -12 4  47 f 91.830   22.300  82.326     35.400  82.326     35.400  0.0000     0.0000  91.830  22.300  ?       ?       0.000000       22.30037 
1 1 1 -12 4  48 o 102.898  12.033  95.884     21.211  94.105     37.892  96.696     25.597  97.951  22.613  102.448 14.733  -4.497650      26.98933 
1 1 1 -12 4  49 o 153.982  11.403  212.891    30.440  211.924    52.804  213.372    37.254  149.003 20.868  153.055 14.098  -4.051300      25.18428 
1 1 1 -12 4  50 o 53.055   13.688  26.385     12.765  27.442     23.980  25.967     15.079  56.325  19.738  52.773  15.406  3.552177       25.03856 
1 1 1 -12 4  51 o 53.237   14.186  26.634     13.425  14.812     24.818  31.524     15.961  49.281  19.483  57.718  15.507  -8.436649      24.90074 
1 1 1 -12 4  52 o 171.779  11.681  266.083    34.827  167.140    60.194  315.875    42.701  126.582 27.979  186.425 13.203  -59.84325      30.93761 
1 1 1 -12 4  53 o 49.286   14.000  22.726     12.612  12.817     23.279  26.843     15.006  47.086  18.788  53.377  15.307  -6.291874      24.23407 
1 1 1 -12 4  54 o 77.469   10.774  54.730     14.179  56.727     20.140  52.767     19.965  77.315  15.459  74.370  15.859  2.945709       22.14722 
1 1 1 -12 4  55 o 56.311   12.967  29.877     12.486  36.248     17.387  23.091     17.943  61.429  16.037  50.726  17.098  10.70309       23.44197 
1 1 1 -12 4  56 o 203.215  10.490  371.496    37.094  329.393    52.004  415.108    52.927  187.673 16.023  212.153 14.373  -24.47997      21.52478 
1 1 1 -12 4  57 o 199.346  10.484  358.022    36.365  305.249    50.988  412.660    51.881  180.042 16.399  211.439 14.134  -31.39703      21.64945 
1 1 1 -12 4  58 o 116.092  10.330  122.065    20.721  97.103     28.228  151.232    30.512  100.571 16.658  127.540 13.928  -26.96966      21.71314 
1 1 1 -12 4  59 o 41.055   14.214  14.500     12.418  11.098     17.797  17.727     17.336  41.911  16.521  46.101  16.712  -4.190300      23.49978 
1 1 1 -12 5  1  o ?        ?       -183.6355  5.7982  -183.6355  5.7982  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 -12 5  2  o 131.018  15.654  153.972    35.103  264.658    40.819  -160.3371  68.784  172.695 13.648  45.544  22.605  127.1511       26.40573 
1 1 1 -12 5  3  o 421.704  16.740  1576.46    123.259 1605.38    150.536 1517.63    214.708 424.030 20.332  405.702 30.533  18.32825       36.68354 
1 1 1 -12 5  4  o 282.676  11.860  702.928    58.539  626.344    82.218  781.666    83.367  264.992 17.874  296.708 16.153  -31.71667      24.09107 
1 1 1 -12 5  5  o ?        ?       -449.9143  7.6721  -551.3668  9.9701  -302.6229  12.013  ?       ?       ?       ?       0.000000       ?        
1 1 1 -12 5  6  o 30.623   14.048  -12.2001   17.058  -11.1344   21.968  -13.8188   27.073  36.310  16.374  40.207  18.150  -3.897305      24.44500 
1 1 1 -12 5  7  o ?        ?       -146.7592  7.3677  -128.7918  9.6741  -171.5728  11.369  ?       ?       ?       ?       0.000000       ?        
1 1 1 -12 5  8  o 268.535  14.058  637.758    65.685  539.498    113.175 687.670    80.661  242.600 27.185  278.156 16.685  -35.55602      31.89684 
1 1 1 -12 5  9  f 443.740  18.260  1748.94    141.478 1728.37    245.066 1759.22    173.268 432.006 32.732  442.566 22.496  -10.56039      39.71705 
1 1 1 -12 5  10 o 329.709  26.879  990.397    153.392 0.0000     0.0000  990.397    153.392 ?       ?       329.709 26.879  0.000000       26.87857 
1 1 1 -12 5  11 o 463.492  21.631  1921.05    175.055 1921.05    175.055 0.0000     0.0000  463.492 21.631  ?       ?       0.000000       21.63064 
1 1 1 -12 5  12 o 583.239  25.630  3071.16    261.010 3071.16    261.010 0.0000     0.0000  583.239 25.630  ?       ?       0.000000       25.62999 
1 1 1 -12 5  13 o 305.276  18.000  830.055    95.521  830.055    95.521  0.0000     0.0000  305.276 18.000  ?       ?       0.000000       17.99998 
1 1 1 -12 5  14 o ?        ?       -426.8085  7.2752  -426.8085  7.2752  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 -12 5  15 o ?        ?       -141.3663  5.2717  -138.0170  7.8078  -144.1723  7.1466  ?       ?       ?       ?       0.000000       ?        
1 1 1 -12 5  16 o 76.747   14.975  53.777     19.347  42.285     27.746  64.652     26.990  68.693  21.100  83.655  18.921  -14.96197      28.34079 
1 1 1 -12 5  17 o 65.108   14.161  38.831     15.641  16.516     21.991  61.676     22.251  49.757  18.682  82.110  16.095  -32.35299      24.65930 
1 1 1 -12 5  18 o 59.969   14.409  33.011     14.899  38.551     21.025  27.423     21.117  64.896  17.951  56.578  18.533  8.318405       25.80132 
1 1 1 -12 5  19 o 182.861  12.256  295.637    38.906  303.694    47.958  280.125    66.542  184.779 14.993  175.472 22.216  9.307755       26.80215 
1 1 1 -12 5  20 o 363.618  13.131  1165.50    83.371  1149.41    96.314  1213.61    166.504 360.480 15.302  364.973 26.304  -4.493805      30.43111 
1 1 1 -12 5  21 o 290.071  11.820  740.473    59.868  742.342    69.186  734.902    119.443 290.049 13.661  284.430 24.283  5.619690       27.86193 
1 1 1 -12 5  22 o 171.573  12.222  260.524    36.375  278.535    44.604  224.765    62.850  176.942 14.566  156.286 23.781  20.65604       27.88798 
1 1 1 -12 5  23 o 86.607   14.112  67.918     20.606  62.487     26.196  76.730     33.370  82.163  18.682  90.750  21.406  -8.586716      28.41247 
1 1 1 -12 5  24 o 175.893  12.447  274.027    37.981  272.888    47.051  276.157    64.351  174.823 15.577  174.125 21.632  0.6981506      26.65644 
1 1 1 -12 5  25 o 156.538  11.960  217.120    32.442  231.911    40.379  190.187    54.487  161.275 14.494  143.746 22.442  17.52905       26.71555 
1 1 1 -12 5  26 o 52.251   15.030  24.746     14.448  22.061     18.472  28.977     23.188  51.414  17.348  58.327  19.436  -6.913406      26.05210 
1 1 1 -12 5  27 o 163.196  14.321  237.548    40.396  285.548    58.905  194.931    55.504  177.608 19.305  145.340 22.606  32.26764       29.72747 
1 1 1 -12 5  28 o 200.680  14.412  358.617    50.163  426.160    73.335  299.224    68.768  217.153 19.551  180.714 22.265  36.43951       29.63013 
1 1 1 -12 5  29 o 199.458  14.668  354.772    50.726  401.385    74.130  313.726    69.562  210.225 20.454  185.076 21.954  25.14922       30.00565 
1 1 1 -12 5  30 o 182.858  14.027  298.110    44.445  354.923    66.047  251.090    60.086  197.856 19.366  165.441 21.294  32.41544       28.78374 
1 1 1 -12 5  31 o 110.961  14.582  111.145    27.568  133.256    44.449  97.321     35.144  119.455 22.125  102.175 20.413  17.28087       30.10366 
1 1 1 -12 5  32 o 120.844  13.529  131.044    28.056  196.260    44.900  89.270     35.935  146.925 17.870  97.373  21.692  49.55231       28.10454 
1 1 1 -12 5  33 o 188.518  22.536  328.512    72.712  328.512    72.712  0.0000     0.0000  188.518 22.536  ?       ?       0.000000       22.53645 
1 1 1 -12 5  34 o 141.756  22.845  188.086    54.622  188.086    54.622  0.0000     0.0000  141.756 22.845  ?       ?       0.000000       22.84462 
1 1 1 -12 5  35 f 140.821  22.930  186.169    54.442  186.169    54.442  0.0000     0.0000  140.821 22.930  ?       ?       0.000000       22.93038 
1 1 1 -12 5  36 o 219.419  15.376  432.775    58.538  432.775    58.538  0.0000     0.0000  219.419 15.376  ?       ?       0.000000       15.37637 
1 1 1 -12 5  37 o 199.649  12.524  355.382    43.436  357.179    53.684  351.976    73.914  199.038 15.571  194.494 22.161  4.544357       27.08424 
1 1 1 -12 5  38 o 82.481   13.277  62.050     18.472  58.050     23.180  69.010     30.576  78.723  17.333  85.160  20.753  -6.436783      27.03883 
1 1 1 -12 5  39 o 53.262   15.652  26.003     15.519  26.650     19.973  25.017     24.654  54.989  18.025  55.771  19.967  -0.7819748     26.89939 
1 1 1 -12 5  40 o 50.940   17.046  22.413     17.834  22.413     17.834  0.0000     0.0000  50.940  17.046  ?       ?       0.000000       17.04615 
1 1 1 -12 5  41 o 208.782  22.575  411.029    80.987  411.029    80.987  0.0000     0.0000  208.782 22.575  ?       ?       0.000000       22.57528 
1 1 1 -12 5  42 o 280.875  16.534  718.416    80.731  624.024    113.262 815.898    115.102 254.277 25.871  294.269 22.573  -39.99120      34.33432 
1 1 1 -12 5  43 o 35.382   13.337  8.4126     11.228  1.1873     18.811  12.411     13.995  37.978  16.169  40.868  14.985  -2.890377      22.04535 
1 1 1 -12 5  44 o 176.200  9.8325  276.139    30.130  293.094    60.550  270.559    34.736  176.656 19.981  173.814 11.510  2.842331       23.05974 
1 1 1 -12 5  45 o 177.970  9.8879  282.003    30.605  251.360    60.935  292.341    35.394  161.869 22.140  180.692 11.274  -18.82289      24.84526 
1 1 1 -12 5  46 f 27.125   10.767  3.5941     7.6092  13.679     18.741  1.6035     8.3264  44.894  17.156  26.364  10.961  18.53000       20.35847 
1 1 1 -12 5  47 o 48.928   13.025  22.335     11.325  3.0267     23.508  28.170     12.924  42.661  18.117  54.794  13.577  -12.13275      22.64011 
1 1 1 -12 5  48 o 153.931  10.068  211.934    26.912  185.493    53.071  221.087    31.224  137.373 22.934  156.673 11.494  -19.29958      25.65319 
1 1 1 -12 5  49 o 86.314   11.132  67.755     16.387  66.458     32.697  68.190     18.937  81.602  22.309  85.986  13.020  -4.384323      25.83021 
1 1 1 -12 5  50 o 30.774   12.038  5.3774     9.3855  -7.1170    20.053  8.8822     10.621  35.143  15.763  35.065  13.019  0.7844162E-01  20.44466 
1 1 1 -12 5  51 o 104.310  10.702  98.449     19.216  76.204     38.782  105.688    22.123  86.080  24.583  107.653 11.972  -21.57275      27.34347 
1 1 1 -12 5  52 o 78.445   13.105  57.267     17.317  43.615     30.512  63.755     21.033  67.124  22.292  82.052  15.242  -14.92783      27.00466 
1 1 1 -12 5  53 o 99.122   12.317  90.270     20.858  60.849     36.677  104.334    25.358  77.122  24.351  105.909 14.060  -28.78675      28.11864 
1 1 1 -12 5  54 o 89.798   15.812  76.848     23.887  60.646     34.251  92.191     33.331  76.869  23.412  96.090  20.491  -19.22107      31.11288 
1 1 1 -12 5  55 o 120.251  12.176  132.642    25.213  132.761    30.952  132.407    43.466  118.711 15.288  113.881 22.657  4.830605       27.33209 
1 1 1 -12 5  56 o 95.919   15.310  87.521     24.779  115.787    35.522  60.731     34.582  108.070 19.544  76.331  23.574  31.73868       30.62214 
1 1 1 -12 5  57 o 50.927   15.656  24.668     15.273  36.626     23.012  15.253     20.419  61.000  19.291  46.024  17.824  14.97610       26.26507 
1 1 1 -12 6  1  o 204.396  11.178  369.059    39.742  292.703    56.142  445.749    56.265  180.170 18.090  223.844 14.473  -43.67395      23.16755 
1 1 1 -12 6  2  o 80.592   13.903  59.046     18.857  26.441     27.377  88.479     26.011  58.506  21.031  98.684  15.615  -40.17828      26.19383 
1 1 1 -12 6  3  o 85.574   13.796  66.347     19.913  55.883     28.884  75.826     27.490  77.518  20.874  90.675  17.998  -13.15680      27.56227 
1 1 1 -12 6  4  o 93.517   12.672  78.550     20.159  81.557     30.079  76.097     27.162  93.903  18.998  90.903  17.750  3.000031       25.99911 
1 1 1 -12 6  5  o 344.140  12.506  1044.93    75.147  991.410    106.378 1098.25    106.170 332.717 18.382  351.121 17.317  -18.40479      25.25477 
1 1 1 -12 6  6  o 95.104   12.221  81.027     19.824  85.271     29.076  77.341     27.099  96.328  17.947  91.721  17.561  4.607025       25.10938 
1 1 1 -12 6  7  o 351.043  12.497  1087.10    76.602  999.332    108.364 1174.76    108.300 333.977 18.657  363.299 17.073  -29.32202      25.28963 
1 1 1 -12 6  8  o 188.285  12.530  314.072    40.958  300.761    50.975  338.320    68.801  183.368 16.084  193.101 20.730  -9.733414      26.23757 
1 1 1 -12 6  9  o 144.028  15.716  186.137    38.881  186.137    38.881  0.0000     0.0000  144.028 15.716  ?       ?       0.000000       15.71583 
1 1 1 -12 6  10 o 199.089  16.020  354.072    55.219  354.072    55.219  0.0000     0.0000  199.089 16.020  ?       ?       0.000000       16.02024 
1 1 1 -12 6  11 f 376.948  19.338  1274.33    126.851 1274.33    126.851 0.0000     0.0000  376.948 19.338  ?       ?       0.000000       19.33811 
1 1 1 -12 6  12 o 320.952  26.098  945.333    144.988 945.333    144.988 0.0000     0.0000  320.952 26.098  ?       ?       0.000000       26.09801 
1 1 1 -12 6  13 o 261.827  16.579  611.795    75.404  573.819    107.549 648.511    105.748 250.128 24.959  267.024 22.902  -16.89647      33.87401 
1 1 1 -12 6  14 o 64.894   16.929  38.847     19.384  57.604     30.481  26.111     25.117  78.728  21.546  57.278  20.191  21.45016       29.52801 
1 1 1 -12 6  15 o 117.528  15.633  124.627    31.285  113.920    46.682  133.358    42.152  109.902 24.903  120.256 20.829  -10.35347      32.46564 
1 1 1 -12 6  16 o 205.641  12.432  374.431    44.429  377.018    55.051  369.598    75.244  205.576 15.450  201.454 21.735  4.122192       26.66670 
1 1 1 -12 6  17 o 141.361  12.304  177.595    30.067  151.129    37.362  226.237    50.652  129.238 16.967  158.032 18.720  -28.79333      25.26518 
1 1 1 -12 6  18 o 169.596  10.468  254.008    30.848  255.590    35.734  249.380    61.113  169.795 12.133  164.983 21.744  4.811707       24.90006 
1 1 1 -12 6  19 o 164.950  10.369  240.318    29.711  230.974    34.248  268.738    59.732  161.327 12.250  171.809 20.304  -10.48242      23.71276 
1 1 1 -12 6  20 o 112.728  10.926  112.948    21.235  116.435    24.350  101.871    43.395  114.182 12.413  103.791 24.363  10.39101       27.34304 
1 1 1 -12 6  21 o 67.013   12.719  40.965     14.338  52.237     16.518  6.5157     28.877  75.848  12.937  49.262  20.441  26.58646       24.19033 
1 1 1 -12 6  22 o 113.381  12.337  114.861    24.029  125.633    29.678  94.359     40.944  118.096 14.712  99.863  23.816  18.23235       27.99319 
1 1 1 -12 6  23 o 73.567   14.477  49.654     17.934  64.948     22.801  24.838     29.043  84.036  16.125  58.283  21.551  25.75343       26.91607 
1 1 1 -12 6  24 o 240.059  12.833  511.449    53.597  549.710    66.005  437.391    91.831  248.057 15.314  217.192 24.652  30.86528       29.02120 
1 1 1 -12 6  25 o 205.997  12.418  376.725    44.457  394.473    54.951  343.101    75.637  209.995 15.087  192.736 22.925  17.25827       27.44416 
1 1 1 -12 6  26 o 293.603  11.563  761.624    59.276  805.629    68.635  632.461    117.589 301.480 13.038  260.151 26.246  41.32956       29.30579 
1 1 1 -12 6  27 o 58.725   12.945  31.741     12.916  35.439     15.421  23.052     23.641  61.899  14.519  54.388  19.544  7.511040       24.34676 
1 1 1 -12 6  28 o 43.910   12.532  17.508     10.082  8.6354     17.333  22.046     12.395  41.129  16.275  49.127  13.852  -7.997993      21.37177 
1 1 1 -12 6  29 o 149.096  9.7440  196.744    25.227  232.450    37.531  167.314    34.073  161.175 13.459  136.265 14.545  24.90948       19.81710 
1 1 1 -12 6  30 o 503.327  14.874  2263.26    130.722 2534.23    185.463 1995.73    184.279 527.634 20.131  465.691 22.663  61.94333       30.31272 
1 1 1 -12 6  31 o 170.386  10.524  257.477    31.156  262.133    45.230  253.274    42.978  170.445 15.363  167.704 14.830  2.741562       21.35277 
1 1 1 -12 6  32 f 188.750  9.9484  315.402    32.671  374.325    47.777  263.647    44.777  204.542 13.453  170.924 15.161  33.61742       20.26868 
1 1 1 -12 6  33 f 224.212  10.676  444.871    41.795  476.462    60.282  415.627    57.999  230.047 15.091  214.578 15.586  15.46886       21.69514 
1 1 1 -12 6  34 o 233.215  15.933  491.978    64.492  491.978    64.492  0.0000     0.0000  233.215 15.933  ?       ?       0.000000       15.93278 
1 1 1 -12 6  35 o 82.909   18.208  64.849     25.638  64.849     25.638  0.0000     0.0000  82.909  18.208  ?       ?       0.000000       18.20818 
1 1 1 -12 6  36 o 160.286  15.865  234.074    43.818  234.074    43.818  0.0000     0.0000  160.286 15.865  ?       ?       0.000000       15.86495 
1 1 1 -12 6  37 o 72.921   10.948  48.216     13.509  62.556     22.380  39.996     16.944  81.796  16.243  65.365  15.143  16.43100       22.20650 
1 1 1 -12 6  38 o 263.468  12.340  620.051    56.770  663.900    70.144  536.794    96.654  270.868 14.888  237.208 23.651  33.66017       27.94725 
1 1 1 -12 6  39 o 244.883  12.392  537.625    52.813  565.312    65.441  485.914    89.434  249.566 15.089  225.704 23.016  23.86261       27.52059 
1 1 1 -12 6  40 o 188.685  15.233  324.746    49.759  324.746    49.759  0.0000     0.0000  188.685 15.233  ?       ?       0.000000       15.23314 
1 1 1 -12 6  41 o 32.530   12.634  6.1903     10.282  6.6216     18.393  5.9942     12.400  40.386  16.488  34.517  13.732  5.868687       21.45724 
1 1 1 -12 6  42 o 207.293  9.3647  381.250    33.895  373.459    68.122  383.814    39.076  198.893 19.882  207.163 10.840  -8.269958      22.64535 
1 1 1 -12 6  43 o 62.517   13.495  36.588     14.300  18.043     26.721  44.031     16.928  52.106  20.331  68.412  14.615  -16.30633      25.03901 
1 1 1 -12 6  44 o 121.442  14.481  135.896    30.101  139.971    43.723  132.224    41.502  119.597 21.738  116.471 21.188  3.125496       30.35617 
1 1 1 -12 6  45 o 265.401  13.180  637.854    61.076  707.965    106.711 603.697    74.482  269.366 22.906  254.879 16.831  14.48656       28.42454 
1 1 1 -12 6  46 o 141.310  11.484  180.561    28.091  213.846    50.595  165.728    33.775  149.038 19.942  133.891 14.688  15.14697       24.76767 
1 1 1 -12 6  47 o 146.328  11.566  193.878    29.309  191.923    52.553  194.761    35.311  139.160 22.387  145.429 14.082  -6.268845      26.44811 
1 1 1 -12 6  48 o 118.934  11.278  128.364    23.141  154.721    41.717  116.649    27.812  126.278 19.552  111.926 14.577  14.35213       24.38794 
1 1 1 -12 6  49 o 144.695  22.389  209.016    54.738  209.016    54.738  0.0000     0.0000  144.695 22.389  ?       ?       0.000000       22.38851 
1 1 1 -12 6  50 o 26.874   12.071  -4.7921    11.800  16.527     15.174  -37.4061   18.768  44.308  15.685  24.898  12.255  19.41044       19.90513 
1 1 1 -12 6  51 o 207.985  12.454  395.158    45.021  319.500    77.654  433.463    55.254  174.382 26.323  215.979 14.740  -41.59663      30.16894 
1 1 1 -12 6  52 o 96.311   16.359  89.110     26.526  80.078     36.080  99.737     39.133  87.516  23.226  97.849  23.249  -10.33362      32.86214 
1 1 1 -12 6  53 o 52.030   15.117  25.926     14.550  3.7218     26.192  35.838     17.499  44.083  18.931  60.598  16.218  -16.51480      24.92860 
1 1 1 -12 6  54 o 36.541   12.233  11.689     9.1843  21.122     21.730  9.6368     10.134  50.207  18.626  35.091  12.769  15.11646       22.58276 
1 1 1 -12 6  55 o 56.462   12.886  30.443     12.424  32.424     26.039  29.859     14.137  58.359  20.560  55.537  14.443  2.821877       25.12554 
1 1 1 -12 7  1  o 85.683   12.821  66.493     18.592  66.542     27.797  66.452     25.009  84.183  19.320  84.515  17.522  -0.3319168     26.08252 
1 1 1 -12 7  2  o 217.188  11.095  417.775    41.936  427.117    59.704  408.678    58.917  218.038 15.789  213.197 15.942  4.840775       22.43788 
1 1 1 -12 7  3  o 180.278  10.265  287.495    32.178  298.648    46.064  276.866    44.968  182.564 14.572  175.668 14.798  6.895966       20.76843 
1 1 1 -12 7  4  o 48.730   14.324  21.504     12.996  31.211     20.734  15.223     16.679  58.875  18.265  45.136  16.388  13.73854       24.53954 
1 1 1 -12 7  5  f 68.191   13.467  42.668     15.466  46.703     22.426  39.009     21.357  70.734  18.087  64.894  18.142  5.839615       25.61806 
1 1 1 -12 7  6  o 188.857  10.343  315.396    33.977  333.786    48.452  297.602    47.660  193.150 14.472  182.116 15.125  11.03395       20.93315 
1 1 1 -12 7  7  o 239.148  10.745  504.639    44.869  500.573    63.852  508.605    63.064  236.341 15.560  238.365 15.232  -2.024567      21.77437 
1 1 1 -12 7  8  o 122.012  11.621  132.733    24.459  109.915    35.596  153.141    33.665  108.842 19.444  130.270 15.079  -21.42792      24.60542 
1 1 1 -12 7  9  o 192.656  12.594  330.117    42.130  299.146    51.216  394.933    74.092  182.226 16.268  207.715 20.705  -25.48940      26.33093 
1 1 1 -12 7  10 o 186.531  12.413  309.391    40.199  314.811    48.955  298.171    70.437  187.361 15.092  179.211 23.044  8.150406       27.54600 
1 1 1 -12 7  11 o 148.151  12.577  195.765    32.226  210.893    39.276  164.598    56.375  153.182 14.872  131.497 25.473  21.68546       29.49680 
1 1 1 -12 7  12 o 68.801   13.352  43.389     15.461  32.200     23.338  52.141     20.641  60.307  19.465  74.986  16.235  -14.67941      25.34730 
1 1 1 -12 7  13 o 57.996   13.006  30.981     12.846  32.505     19.341  29.778     17.183  59.585  17.463  57.005  16.389  2.579399       23.94896 
1 1 1 -12 7  14 o 178.609  10.437  282.321    32.409  277.947    45.551  286.805    46.120  175.970 14.967  178.789 14.909  -2.819794      21.12599 
1 1 1 -12 7  15 o 226.210  12.848  455.228    50.536  455.893    61.460  453.841    88.797  225.342 15.719  221.243 23.338  4.098480       28.13824 
1 1 1 -12 7  16 f 174.761  11.917  271.544    36.149  280.146    45.022  255.938    60.642  176.694 14.727  166.367 21.370  10.32709       25.95300 
1 1 1 -12 7  17 o 70.121   13.892  45.212     16.408  45.655     21.987  44.655     24.648  69.896  17.929  69.231  19.538  0.6654129      26.51758 
1 1 1 -12 7  18 o 120.896  14.196  131.868    29.396  148.724    44.053  118.338    39.468  126.380 20.679  112.377 20.883  14.00284       29.38924 
1 1 1 -12 7  19 o 152.933  14.906  210.712    39.298  192.683    56.978  227.069    54.272  142.908 23.662  156.835 20.294  -13.92725      31.17331 
1 1 1 -12 7  20 o ?        ?       -13.3885   2.8257  0.0000     0.0000  -13.3885   2.8257  ?       ?       ?       ?       0.000000       ?        
1 1 1 -12 7  21 o 100.522  15.994  92.697     27.133  87.735     44.315  95.673     34.317  95.192  25.950  100.873 20.188  -5.680893      32.87782 
1 1 1 -12 7  22 o ?        ?       -17.9099   2.6221  -6.3097    12.312  -18.4610   2.6837  27.115  12.240  ?       ?       0.000000       12.24026 
1 1 1 -12 7  23 o 229.093  10.566  464.059    42.264  479.517    49.158  420.247    82.760  232.098 12.172  212.248 22.682  19.84962       25.74214 
1 1 1 -12 7  24 o 59.900   10.722  32.674     10.803  54.508     14.217  2.8535     16.616  77.781  10.756  36.924  15.428  40.85659       18.80787 
1 1 1 -12 7  25 o 67.072   11.225  40.904     12.681  52.636     16.221  22.466     20.336  75.946  12.680  52.144  18.182  23.80145       22.16672 
1 1 1 -12 7  26 o 36.679   12.647  10.936     9.8253  5.5260     13.395  17.237     14.456  35.349  14.200  45.255  15.346  -9.906261      20.90832 
1 1 1 -12 7  27 o 62.147   12.711  35.619     13.328  28.771     16.601  48.036     22.355  55.816  16.127  71.348  17.958  -15.53211      24.13670 
1 1 1 -12 7  28 o 99.663   13.131  90.131     22.294  79.407     28.845  106.040    35.133  91.772  18.637  106.018 19.704  -14.24600      27.12210 
1 1 1 -12 7  29 o 90.948   16.762  77.137     25.638  77.137     25.638  0.0000     0.0000  90.948  16.762  ?       ?       0.000000       16.76248 
1 1 1 -12 7  30 o 152.120  14.945  210.334    39.183  210.334    39.183  0.0000     0.0000  152.120 14.945  ?       ?       0.000000       14.94508 
1 1 1 -12 7  31 o 131.736  15.296  158.684    34.529  158.684    34.529  0.0000     0.0000  131.736 15.296  ?       ?       0.000000       15.29614 
1 1 1 -12 7  32 o 36.105   14.918  3.9670     15.289  3.9670     15.289  0.0000     0.0000  36.105  14.918  ?       ?       0.000000       14.91837 
1 1 1 -12 7  33 o 72.357   21.492  50.205     29.131  50.205     29.131  0.0000     0.0000  72.357  21.492  ?       ?       0.000000       21.49212 
1 1 1 -12 7  34 o 75.075   21.669  54.591     29.984  54.591     29.984  0.0000     0.0000  75.075  21.669  ?       ?       0.000000       21.66866 
1 1 1 -12 7  35 o 245.878  23.930  584.967    101.435 584.967    101.435 0.0000     0.0000  245.878 23.930  ?       ?       0.000000       23.92999 
1 1 1 -12 7  36 o 231.472  23.640  519.657    94.204  519.657    94.204  0.0000     0.0000  231.472 23.640  ?       ?       0.000000       23.63999 
1 1 1 -12 7  37 o 19.084   9.3248  -19.0366   10.267  -19.0366   10.267  0.0000     0.0000  19.084  9.3248  ?       ?       0.000000       9.324821 
1 1 1 -12 7  38 f 232.682  23.722  529.767    95.030  529.767    95.030  0.0000     0.0000  232.682 23.722  ?       ?       0.000000       23.72206 
1 1 1 -12 7  39 o 71.147   21.548  49.485     29.075  49.485     29.075  0.0000     0.0000  71.147  21.548  ?       ?       0.000000       21.54847 
1 1 1 -12 7  40 o 99.067   22.459  98.198     37.954  98.198     37.954  0.0000     0.0000  99.067  22.459  ?       ?       0.000000       22.45922 
1 1 1 -12 7  41 f 136.248  22.603  184.116    51.888  184.116    51.888  0.0000     0.0000  136.248 22.603  ?       ?       0.000000       22.60323 
1 1 1 -12 7  42 o 34.245   14.629  0.9274     15.494  -6.0120    19.297  13.518     25.993  34.779  15.541  48.950  19.740  -14.17196      25.12384 
1 1 1 -12 7  43 o 60.423   18.134  35.179     20.659  28.522     26.994  44.591     32.097  57.359  20.845  67.786  22.867  -10.42735      30.94259 
1 1 1 -12 7  44 o 85.980   17.578  71.752     25.499  62.798     34.187  82.980     38.282  78.282  23.289  89.359  24.018  -11.07712      33.45556 
1 1 1 -12 7  45 o 33.326   14.461  -0.8043    15.600  -14.0826   19.454  23.121     26.113  31.797  14.735  53.728  20.318  -21.93054      25.09838 
1 1 1 -12 7  46 o 261.651  16.551  645.527    75.227  549.378    105.217 746.073    107.596 228.076 26.941  272.558 22.819  -44.48193      35.30591 
1 1 1 -12 7  47 o 137.995  15.408  179.434    36.492  141.081    50.132  222.661    53.223  115.034 25.616  149.529 20.961  -34.49544      33.09917 
1 1 1 -12 7  48 o 180.460  15.415  306.484    48.106  276.203    66.557  339.605    69.609  163.267 24.069  183.267 22.206  -19.99969      32.74805 
1 1 1 -12 7  49 o 237.952  15.152  531.837    62.627  363.822    86.967  712.816    90.260  181.772 28.324  269.867 19.282  -88.09552      34.26419 
1 1 1 -12 7  50 o 82.427   17.190  66.966     23.940  62.725     32.508  71.991     35.386  77.122  22.650  82.079  23.496  -4.957237      32.63597 
1 1 1 -12 7  51 o 15.567   7.2414  -4.2021    4.7679  -4.3723    16.585  -4.1868    4.9781  32.362  14.439  16.031  7.4376  16.33035       16.24155 
1 1 1 -12 7  52 o 36.296   13.521  10.011     11.474  26.851     22.221  3.8868     13.399  53.683  18.984  33.461  13.907  20.22249       23.53285 
1 1 1 -12 8  1  o 79.452   17.621  59.688     23.805  0.0000     0.0000  59.688     23.805  ?       ?       79.452  17.621  0.000000       17.62088 
1 1 1 -12 8  2  o 128.976  13.074  150.229    29.036  150.098    51.428  150.291    35.179  124.048 24.612  127.929 16.106  -3.880768      29.41385 
1 1 1 -12 8  3  o 85.926   14.384  67.992     20.818  54.923     38.166  73.527     24.838  76.406  24.910  88.735  16.642  -12.32895      29.95829 
1 1 1 -12 8  4  f 95.503   12.764  82.793     20.753  95.071     36.217  76.791     25.322  99.480  21.479  90.765  16.589  8.714943       27.13962 
1 1 1 -12 8  5  o 31.801   13.100  3.0280     11.741  21.600     23.743  -2.9838    13.508  53.079  19.510  30.260  13.287  22.81877       23.60453 
1 1 1 -12 8  6  o 148.580  11.760  197.591    30.261  183.373    52.214  204.781    37.133  138.826 22.295  150.404 14.312  -11.57870      26.49352 
1 1 1 -12 8  7  o 219.704  11.960  430.956    45.706  391.432    78.541  451.196    56.204  203.783 22.446  223.688 14.467  -19.90523      26.70410 
1 1 1 -12 8  8  f 222.209  12.389  441.485    47.876  371.013    82.616  477.118    58.746  196.982 24.553  229.936 14.709  -32.95441      28.62206 
1 1 1 -12 8  9  o 73.632   19.053  51.515     24.684  36.426     31.213  76.705     40.330  64.777  22.529  88.583  24.989  -23.80616      33.64584 
1 1 1 -12 8  10 o 93.203   17.529  81.321     27.480  81.582     36.466  80.978     41.802  91.707  22.855  90.851  25.376  0.8563995      34.15097 
1 1 1 -12 8  11 o 58.980   18.462  31.782     21.129  27.988     27.229  37.523     33.496  58.496  20.979  66.080  23.314  -7.584286      31.36384 
1 1 1 -12 8  12 o 147.601  15.884  198.882    40.293  227.965    55.287  165.937    58.845  155.826 20.842  129.604 26.885  26.22214       34.01718 
1 1 1 -12 8  13 o 39.579   14.036  12.338     12.155  34.890     21.600  1.8860     14.704  61.356  18.571  34.334  14.440  27.02213       23.52438 
1 1 1 -12 8  14 o 80.540   16.267  60.664     22.088  48.876     32.672  70.587     29.976  72.242  23.001  85.846  20.315  -13.60414      30.68788 
1 1 1 -12 8  15 o 39.171   13.680  12.376     11.515  11.276     14.755  14.091     18.416  40.606  15.292  45.194  17.070  -4.588108      22.91759 
1 1 1 -12 8  16 o 107.143  12.404  103.720    22.776  71.751     28.185  163.882    38.665  86.854  19.105  133.311 16.997  -46.45754      25.57159 
1 1 1 -12 8  17 o 101.712  12.176  93.503     21.194  85.185     26.317  108.853    35.749  95.737  16.329  107.162 19.836  -11.42473      25.69263 
1 1 1 -12 8  18 o 177.795  12.346  283.509    38.091  242.410    46.926  362.902    65.221  162.499 16.780  197.786 19.124  -35.28662      25.44217 
1 1 1 -12 8  19 o 274.571  13.856  678.920    66.213  635.820    81.305  763.794    114.095 263.094 17.804  283.660 23.240  -20.56650      29.27556 
1 1 1 -12 8  20 o 135.115  14.685  166.413    34.088  167.777    49.371  165.170    47.123  132.306 22.155  131.730 21.207  0.5759125      30.66876 
1 1 1 -12 8  21 o 200.559  15.255  365.913    53.023  367.233    75.934  364.656    74.071  196.393 22.553  196.069 22.017  0.3237457      31.51746 
1 1 1 -12 8  22 o 236.825  12.389  503.056    51.053  490.621    62.830  527.220    87.585  232.079 15.596  236.351 21.457  -4.271606      26.52591 
1 1 1 -12 8  23 o 88.551   12.028  71.275     18.116  77.665     22.900  60.587     29.617  91.630  14.819  79.031  21.076  12.59919       25.76408 
1 1 1 -12 8  24 o 75.180   20.864  54.698     28.355  54.698     28.355  0.0000     0.0000  75.180  20.864  ?       ?       0.000000       20.86415 
1 1 1 -12 8  25 o 152.646  21.417  222.833    55.513  222.833    55.513  0.0000     0.0000  152.646 21.417  ?       ?       0.000000       21.41743 
1 1 1 -12 8  26 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -12 8  27 o 65.274   21.020  40.008     27.227  40.008     27.227  0.0000     0.0000  65.274  21.020  ?       ?       0.000000       21.02032 
1 1 1 -12 8  28 o 71.944   21.689  50.233     29.505  50.233     29.505  0.0000     0.0000  71.944  21.689  ?       ?       0.000000       21.68893 
1 1 1 -12 8  29 o 119.155  16.285  132.419    32.994  132.419    32.994  0.0000     0.0000  119.155 16.285  ?       ?       0.000000       16.28459 
1 1 1 -12 8  30 f 85.121   18.445  69.859     26.622  69.859     26.622  0.0000     0.0000  85.121  18.445  ?       ?       0.000000       18.44454 
1 1 1 -12 8  31 o 95.757   18.356  88.047     29.574  88.047     29.574  0.0000     0.0000  95.757  18.356  ?       ?       0.000000       18.35593 
1 1 1 -12 8  32 f 75.193   18.829  55.115     24.667  55.115     24.667  0.0000     0.0000  75.193  18.829  ?       ?       0.000000       18.82926 
1 1 1 -12 8  33 o 49.114   17.281  20.564     18.391  20.564     18.391  0.0000     0.0000  49.114  17.281  ?       ?       0.000000       17.28120 
1 1 1 -12 8  34 o 122.477  16.559  141.361    34.503  141.361    34.503  0.0000     0.0000  122.477 16.559  ?       ?       0.000000       16.55850 
1 1 1 -12 8  35 o 82.575   18.812  66.825     26.518  66.825     26.518  0.0000     0.0000  82.575  18.812  ?       ?       0.000000       18.81202 
1 1 1 -12 8  36 o 138.387  15.734  179.445    37.344  179.445    37.344  0.0000     0.0000  138.387 15.734  ?       ?       0.000000       15.73425 
1 1 1 -12 8  37 o 53.001   17.989  25.545     19.865  25.545     19.865  0.0000     0.0000  53.001  17.989  ?       ?       0.000000       17.98938 
1 1 1 -12 8  38 o 33.183   14.425  -1.0205    15.576  -1.0205    15.576  0.0000     0.0000  33.183  14.425  ?       ?       0.000000       14.42468 
1 1 1 -12 8  39 o 216.829  16.652  444.385    62.562  444.385    62.562  0.0000     0.0000  216.829 16.652  ?       ?       0.000000       16.65168 
1 1 1 -12 8  40 o 41.889   16.323  11.637     17.206  11.637     17.206  0.0000     0.0000  41.889  16.323  ?       ?       0.000000       16.32287 
1 1 1 -12 8  41 o 140.356  15.051  185.323    36.310  149.297    50.169  224.954    52.620  118.668 25.002  150.374 20.581  -31.70564      32.38292 
1 1 1 -12 8  42 o 47.620   17.003  19.602     17.866  14.328     22.236  29.209     30.011  46.539  18.428  57.949  21.812  -11.41058      28.55409 
1 1 1 -12 8  43 o 20.073   9.7326  -17.0299   10.601  -20.8563   11.893  -2.2309    23.390  20.703  10.098  39.484  17.406  -18.78149      20.12288 
1 1 1 -12 8  44 o 39.955   16.201  8.4105     17.612  2.2482     21.434  21.218     30.900  39.754  17.100  54.077  21.623  -14.32337      27.56779 
1 1 1 -12 8  45 o 107.409  16.297  111.680    29.604  95.575     39.625  132.025    44.537  93.973  24.049  111.361 23.636  -17.38750      33.71942 
1 1 1 -12 8  46 o 101.384  16.809  100.612    28.714  94.970     38.347  107.812    43.323  93.811  23.469  98.801  25.071  -4.989868      34.34177 
1 1 1 -12 8  47 o 69.820   25.084  51.771     38.943  0.0000     0.0000  51.771     38.943  ?       ?       69.820  25.084  0.000000       25.08413 
1 1 1 -12 8  48 o 190.146  25.387  396.611    82.182  0.0000     0.0000  396.611    82.182  ?       ?       190.146 25.387  0.000000       25.38709 
1 1 1 -12 8  49 o 80.600   26.622  75.918     43.537  0.0000     0.0000  75.918     43.537  ?       ?       80.600  26.622  0.000000       26.62155 
1 1 1 -12 9  1  o 148.018  13.082  200.028    33.462  159.153    58.909  219.499    40.658  122.672 28.106  153.882 15.336  -31.20914      32.01754 
1 1 1 -12 9  2  o 192.936  13.120  338.797    43.935  278.273    76.743  368.307    53.586  163.774 27.833  199.622 15.495  -35.84822      31.85535 
1 1 1 -12 9  3  o 103.252  11.743  97.000     20.795  72.035     29.086  123.103    29.742  85.704  19.830  115.034 15.178  -29.33066      24.97230 
1 1 1 -12 9  4  o 66.070   14.568  41.278     16.354  40.716     22.014  41.969     24.429  64.951  18.511  65.894  19.706  -0.9431381     27.03711 
1 1 1 -12 9  5  o 127.440  10.875  146.363    23.967  139.992    33.510  153.036    34.293  122.413 16.066  128.277 15.634  -5.863327      22.41737 
1 1 1 -12 9  6  o 200.129  10.860  359.431    37.809  306.040    53.476  412.796    53.463  180.997 17.124  212.301 14.509  -31.30417      22.44483 
1 1 1 -12 9  7  o 178.272  10.821  285.308    33.525  270.790    47.535  299.677    47.289  170.835 16.127  180.387 15.154  -9.552414      22.12967 
1 1 1 -12 9  8  o 69.781   13.751  45.585     16.159  43.906     22.879  47.255     22.825  67.358  18.759  69.837  18.445  -2.478683      26.30747 
1 1 1 -12 9  9  o 134.151  11.268  162.355    26.150  186.192    37.491  139.771    36.493  141.838 15.385  121.563 17.713  20.27480       23.46175 
1 1 1 -12 9  10 o 146.548  12.599  195.033    31.925  175.322    38.391  239.212    57.477  137.096 16.361  157.019 21.531  -19.92297      27.04195 
1 1 1 -12 9  11 o 114.492  13.040  119.892    25.604  114.553    30.345  133.088    47.705  110.558 16.200  114.722 24.557  -4.164093      29.41885 
1 1 1 -12 9  12 o 64.562   18.565  40.123     22.047  40.123     22.047  0.0000     0.0000  64.562  18.565  ?       ?       0.000000       18.56537 
1 1 1 -12 9  13 o 143.393  10.594  184.721    26.338  174.208    30.767  213.556    50.955  138.300 12.889  149.151 20.076  -10.85066      23.85728 
1 1 1 -12 9  14 o 121.774  10.969  133.780    23.073  118.854    27.089  173.229    44.039  113.595 13.950  134.571 19.294  -20.97604      23.80950 
1 1 1 -12 9  15 o 64.112   12.384  38.217     13.361  36.167     16.388  42.280     23.073  61.656  15.296  66.107  18.988  -4.451550      24.38246 
1 1 1 -12 9  16 o 42.891   12.744  16.904     10.241  20.870     13.158  10.809     16.312  47.579  14.515  41.089  15.926  6.490211       21.54825 
1 1 1 -12 9  17 o 17.914   8.1944  -3.8395    5.7474  -11.2616   10.516  -0.6782    6.8631  22.174  10.454  22.265  9.6267  -0.9127808E-01 14.21146 
1 1 1 -12 9  18 o 97.801   13.463  88.290     22.381  88.290     22.381  0.0000     0.0000  97.801  13.463  ?       ?       0.000000       13.46301 
1 1 1 -12 9  19 o 153.667  11.235  213.091    29.935  213.091    29.935  0.0000     0.0000  153.667 11.235  ?       ?       0.000000       11.23452 
1 1 1 -12 9  20 o 240.096  16.830  538.278    70.109  538.278    70.109  0.0000     0.0000  240.096 16.830  ?       ?       0.000000       16.82998 
1 1 1 -12 9  21 o 237.253  16.355  524.316    67.339  524.316    67.339  0.0000     0.0000  237.253 16.355  ?       ?       0.000000       16.35503 
1 1 1 -12 9  22 o 203.144  11.960  373.773    42.234  406.217    52.824  316.285    70.315  210.061 14.491  178.347 23.124  31.71432       27.28943 
1 1 1 -12 9  23 o 146.194  10.495  192.519    26.611  242.888    34.533  118.891    41.752  163.447 12.188  108.503 22.764  54.94391       25.82187 
1 1 1 -12 9  24 o 246.953  11.324  549.514    48.829  632.606    61.171  403.593    81.064  263.078 13.361  200.696 23.582  62.38243       27.10409 
1 1 1 -12 9  25 o 114.654  17.085  125.359    33.158  125.359    33.158  0.0000     0.0000  114.654 17.085  ?       ?       0.000000       17.08465 
1 1 1 -12 9  26 o 97.639   17.139  91.643     28.153  91.643     28.153  0.0000     0.0000  97.639  17.139  ?       ?       0.000000       17.13852 
1 1 1 -12 9  27 o 25.925   11.931  -8.5314    12.439  -8.5314    12.439  0.0000     0.0000  25.925  11.931  ?       ?       0.000000       11.93074 
1 1 1 -12 9  28 o 104.658  22.916  112.496    40.717  112.496    40.717  0.0000     0.0000  104.658 22.916  ?       ?       0.000000       22.91623 
1 1 1 -12 9  29 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -12 9  30 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -12 9  31 o 127.847  26.180  175.294    56.476  175.294    56.476  0.0000     0.0000  127.847 26.180  ?       ?       0.000000       26.18036 
1 1 1 -12 9  32 o 81.036   18.177  65.167     25.086  65.167     25.086  0.0000     0.0000  81.036  18.177  ?       ?       0.000000       18.17670 
1 1 1 -12 9  33 o 100.374  18.399  99.487     31.057  99.487     31.057  0.0000     0.0000  100.374 18.399  ?       ?       0.000000       18.39862 
1 1 1 -12 9  34 o 92.194   18.832  84.929     29.291  84.929     29.291  0.0000     0.0000  92.194  18.832  ?       ?       0.000000       18.83221 
1 1 1 -12 9  35 o 114.398  17.459  127.809    33.770  127.809    33.770  0.0000     0.0000  114.398 17.459  ?       ?       0.000000       17.45937 
1 1 1 -12 9  36 f 42.954   16.745  12.844     18.113  12.844     18.113  0.0000     0.0000  42.954  16.745  ?       ?       0.000000       16.74492 
1 1 1 -12 9  37 o 50.219   21.383  10.260     32.903  10.260     32.903  0.0000     0.0000  50.219  21.383  ?       ?       0.000000       21.38291 
1 1 1 -12 9  38 f 65.128   24.424  41.814     37.563  41.814     37.563  0.0000     0.0000  65.128  24.424  ?       ?       0.000000       24.42406 
1 1 1 -12 9  39 o 72.916   26.516  58.021     43.689  58.021     43.689  0.0000     0.0000  72.916  26.516  ?       ?       0.000000       26.51589 
1 1 1 -12 9  40 o 62.505   23.954  37.407     36.601  37.407     36.601  0.0000     0.0000  62.505  23.954  ?       ?       0.000000       23.95428 
1 1 1 -12 9  41 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -12 9  42 o 114.887  26.111  150.721    51.190  0.0000     0.0000  150.721    51.190  ?       ?       114.887 26.111  0.000000       26.11079 
1 1 1 -12 9  43 o 135.151  25.806  206.838    58.677  0.0000     0.0000  206.838    58.677  ?       ?       135.151 25.806  0.000000       25.80619 
1 1 1 -12 9  44 o 83.579   17.755  71.305     25.111  56.423     32.787  92.421     39.056  71.258  23.079  90.019  24.287  -18.76091      33.50410 
1 1 1 -12 9  45 o 114.386  16.399  129.889    31.816  116.166    42.750  146.925    47.633  100.714 24.536  113.597 24.717  -12.88261      34.82777 
1 1 1 -12 10 1  o 87.482   15.699  74.237     23.099  5.1141     43.041  102.198    27.375  53.509  23.598  102.937 15.730  -49.42844      28.36032 
1 1 1 -12 10 2  o 52.745   16.495  26.838     16.871  52.381     37.247  20.246     18.923  70.625  24.608  48.266  17.466  22.35913       30.17642 
1 1 1 -12 10 3  o 50.692   16.344  24.390     16.456  -19.6284   33.707  38.165     18.856  41.529  19.296  62.051  16.932  -20.52285      25.67197 
1 1 1 -12 10 4  o 72.621   13.222  50.008     16.148  36.151     24.360  60.871     21.568  60.487  19.910  78.912  16.196  -18.42523      25.66580 
1 1 1 -12 10 5  o 45.950   14.446  19.769     12.921  14.845     18.959  24.039     17.656  44.780  17.222  50.722  16.961  -5.941704      24.17125 
1 1 1 -12 10 6  o 128.048  11.179  150.046    24.743  174.993    36.350  128.508    33.775  135.511 15.650  114.808 17.393  20.70320       23.39802 
1 1 1 -12 10 7  o 121.804  11.459  136.141    24.084  125.929    35.430  144.913    32.836  112.829 18.634  123.254 15.608  -10.42436      24.30716 
1 1 1 -12 10 8  o 217.526  11.723  432.755    44.362  454.172    63.080  411.797    62.400  217.874 16.709  206.594 17.462  11.27992       24.16825 
1 1 1 -12 10 9  o 123.640  11.214  139.916    23.946  117.145    34.067  162.152    33.665  108.820 18.597  130.903 15.000  -22.08237      23.89232 
1 1 1 -12 10 10 o 102.535  13.229  98.305     23.131  75.905     29.189  136.124    37.926  86.505  19.758  117.022 19.229  -30.51725      27.57066 
1 1 1 -12 10 11 o 31.521   11.788  7.1379     8.7386  16.977     11.578  -5.8842    13.320  42.947  13.695  28.113  12.708  14.83380       18.68234 
1 1 1 -12 10 12 o 140.472  12.414  182.089    30.134  182.089    30.134  0.0000     0.0000  140.472 12.414  ?       ?       0.000000       12.41354 
1 1 1 -12 10 13 o 81.005   13.481  61.998     18.397  61.998     18.397  0.0000     0.0000  81.005  13.481  ?       ?       0.000000       13.48085 
1 1 1 -12 10 14 o 109.913  12.934  112.503    24.347  112.503    24.347  0.0000     0.0000  109.913 12.934  ?       ?       0.000000       12.93365 
1 1 1 -12 10 15 o 47.187   15.287  20.726     14.384  20.726     14.384  0.0000     0.0000  47.187  15.287  ?       ?       0.000000       15.28701 
1 1 1 -12 10 16 o 82.475   14.590  65.064     20.242  50.800     26.460  85.190     31.430  70.401  20.366  91.378  20.233  -20.97653      28.70785 
1 1 1 -12 10 17 o 14.328   6.9211  -8.1873    5.2359  -13.7915   13.410  -7.1794    5.6873  24.944  11.774  15.756  7.5042  9.187204       13.96204 
1 1 1 -12 10 18 o 122.639  11.932  138.729    25.228  154.713    32.765  115.453    39.538  127.686 14.981  105.191 22.223  22.49472       26.80079 
1 1 1 -12 10 19 o 18.432   8.1211  -1.3022    5.0858  -26.1445   17.442  1.0061     5.3168  25.900  12.540  21.002  8.7474  4.897451       15.28928 
1 1 1 -12 10 20 o 72.523   11.184  48.862     13.707  57.793     17.360  34.075     22.337  78.154  13.191  58.783  19.051  19.37174       23.17171 
1 1 1 -12 10 21 o 42.891   14.378  16.634     12.688  11.828     20.492  19.622     16.159  43.796  17.575  46.708  16.212  -2.911388      23.91000 
1 1 1 -12 10 22 o 60.132   14.724  35.235     15.335  37.374     22.638  33.421     20.847  61.039  19.110  58.118  18.360  2.921886       26.50058 
1 1 1 -12 10 23 o 56.199   14.432  30.724     14.235  24.510     20.179  36.879     20.084  51.540  18.104  60.710  17.796  -9.170879      25.38589 
1 1 1 -12 10 24 o 38.509   13.324  12.864     10.911  6.2894     16.245  18.267     14.728  37.456  15.417  44.996  15.485  -7.540195      21.85120 
1 1 1 -12 10 25 o 68.495   13.818  45.173     15.956  43.672     21.886  46.876     23.314  65.553  18.379  67.656  18.970  -2.102982      26.41289 
1 1 1 -12 10 26 o 150.106  26.232  250.365    66.249  250.365    66.249  0.0000     0.0000  150.106 26.232  ?       ?       0.000000       26.23150 
1 1 1 -12 10 27 o 64.715   24.609  41.641     38.441  41.641     38.441  0.0000     0.0000  64.715  24.609  ?       ?       0.000000       24.60877 
1 1 1 -12 10 28 o 47.062   20.629  3.4663     32.441  3.4663     32.441  0.0000     0.0000  47.062  20.629  ?       ?       0.000000       20.62915 
1 1 1 -12 10 29 o 74.367   26.030  62.531     41.701  62.531     41.701  0.0000     0.0000  74.367  26.030  ?       ?       0.000000       26.03048 
1 1 1 -12 10 30 o 83.428   26.816  82.086     44.327  82.086     44.327  0.0000     0.0000  83.428  26.816  ?       ?       0.000000       26.81593 
1 1 1 -12 10 31 o 46.757   20.587  2.9821     32.625  2.9821     32.625  0.0000     0.0000  46.757  20.587  ?       ?       0.000000       20.58674 
1 1 1 -12 10 32 o 60.998   24.163  34.859     38.246  34.859     38.246  0.0000     0.0000  60.998  24.163  ?       ?       0.000000       24.16318 
1 1 1 -12 10 33 o 32.885   14.659  -3.5109    17.057  -3.5109    17.057  0.0000     0.0000  32.885  14.659  ?       ?       0.000000       14.65917 
1 1 1 -12 10 34 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -12 10 35 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -12 10 36 o 58.855   23.753  31.775     37.668  31.775     37.668  0.0000     0.0000  58.855  23.753  ?       ?       0.000000       23.75324 
1 1 1 -12 10 37 o 33.965   14.734  0.8792     16.183  0.8792     16.183  0.0000     0.0000  33.965  14.734  ?       ?       0.000000       14.73385 
1 1 1 -12 10 38 o 122.309  17.355  151.695    36.024  151.695    36.024  0.0000     0.0000  122.309 17.355  ?       ?       0.000000       17.35530 
1 1 1 -12 10 39 o 48.666   17.836  22.163     19.823  22.163     19.823  0.0000     0.0000  48.666  17.836  ?       ?       0.000000       17.83603 
1 1 1 -12 10 40 o 55.002   18.611  31.274     21.261  31.274     21.261  0.0000     0.0000  55.002  18.611  ?       ?       0.000000       18.61109 
1 1 1 -12 11 1  o 58.701   14.365  34.607     14.604  41.777     19.549  25.554     21.967  63.079  17.252  51.156  18.772  11.92342       25.49515 
1 1 1 -12 11 2  f 29.448   12.053  3.9642     9.8607  28.963     14.055  -20.2653   13.837  53.651  14.610  23.043  11.160  30.60824       18.38419 
1 1 1 -12 11 3  o 35.953   14.505  7.7400     14.040  7.4818     36.516  7.7848     15.209  48.927  21.649  36.867  15.016  12.06013       26.34646 
1 1 1 -12 11 4  o 67.642   17.858  48.209     21.403  57.066     38.369  44.208     25.787  69.345  24.900  63.605  20.454  5.740906       32.22421 
1 1 1 -12 11 5  o 54.260   17.142  30.133     18.174  79.155     39.266  16.769     20.502  80.752  25.150  45.511  17.795  35.24149       30.80875 
1 1 1 -12 11 6  o 65.840   18.496  46.022     22.142  46.022     22.142  0.0000     0.0000  65.840  18.496  ?       ?       0.000000       18.49634 
1 1 1 -12 11 7  o 60.700   17.865  38.560     20.204  38.560     20.204  0.0000     0.0000  60.700  17.865  ?       ?       0.000000       17.86472 
1 1 1 -12 11 8  o 66.239   18.541  46.511     22.291  46.511     22.291  0.0000     0.0000  66.239  18.541  ?       ?       0.000000       18.54057 
1 1 1 -12 11 9  o 121.053  16.169  146.100    33.322  146.100    33.322  0.0000     0.0000  121.053 16.169  ?       ?       0.000000       16.16900 
1 1 1 -12 11 10 o 190.960  13.420  348.103    44.462  309.821    55.088  419.646    75.310  173.763 18.438  195.720 22.443  -21.95715      29.04564 
1 1 1 -12 11 11 f 162.756  17.630  268.516    49.300  175.023    71.856  351.667    67.765  108.605 34.054  179.780 22.050  -71.17494      40.56952 
1 1 1 -12 11 12 o 53.028   16.948  28.395     17.724  11.259     30.034  37.553     21.955  47.625  20.357  59.781  18.837  -12.15622      27.73510 
1 1 1 -12 11 13 o 96.943   26.431  114.632    45.970  114.632    45.970  0.0000     0.0000  96.943  26.431  ?       ?       0.000000       26.43116 
1 1 1 -12 11 14 o 93.757   18.400  91.397     29.046  91.397     29.046  0.0000     0.0000  93.757  18.400  ?       ?       0.000000       18.39958 
1 1 1 -12 11 15 o 41.348   16.337  12.320     17.442  12.320     17.442  0.0000     0.0000  41.348  16.337  ?       ?       0.000000       16.33731 
1 1 1 -12 11 16 o 69.424   12.184  46.208     14.231  51.434     17.840  37.062     23.600  71.983  14.691  59.304  19.601  12.67931       24.49514 
1 1 1 -12 11 17 o 57.167   12.763  31.872     12.417  36.206     15.834  24.950     20.012  59.965  15.125  50.704  18.007  9.260456       23.51595 
1 1 1 -12 11 18 o 25.303   10.607  1.6338     7.8901  4.6344     11.932  -0.6974    10.518  32.109  13.214  27.067  11.808  5.041574       17.72141 
1 1 1 -12 11 19 o 35.346   12.492  10.769     9.6208  9.8648     13.248  11.778     13.994  36.954  14.344  38.868  14.832  -1.914444      20.63357 
1 1 1 -12 11 20 o 27.316   11.335  2.5866     8.8806  13.145     18.372  -0.6325    10.144  42.320  16.753  26.630  11.608  15.69069       20.38118 
1 1 1 -12 11 21 o 42.124   13.742  16.849     11.614  11.909     15.081  24.049     18.205  39.590  15.322  49.608  17.209  -10.01838      23.04130 
1 1 1 -12 11 22 o 105.013  14.341  107.770    25.609  83.623     33.033  144.143    40.542  86.262  21.894  115.376 20.894  -29.11393      30.26372 
1 1 1 -12 11 23 o 37.581   15.769  6.0679     17.467  6.0679     17.467  0.0000     0.0000  37.581  15.769  ?       ?       0.000000       15.76878 
1 1 1 -12 11 24 o 37.158   14.052  10.892     12.491  10.892     12.491  0.0000     0.0000  37.158  14.052  ?       ?       0.000000       14.05215 
1 1 1 -12 11 25 o 89.409   10.817  74.997     16.543  78.570     20.202  67.723     28.823  90.060  13.242  78.035  20.783  12.02477       24.64305 
1 1 1 -12 11 26 o 39.945   12.434  15.235     9.5996  14.724     12.846  15.882     14.446  40.478  14.421  42.096  15.257  -1.618195      20.99372 
1 1 1 -12 11 27 o 83.932   12.877  68.183     18.268  68.183     18.268  0.0000     0.0000  83.932  12.877  ?       ?       0.000000       12.87670 
1 1 1 -12 11 28 o 70.139   19.681  54.175     25.086  54.175     25.086  0.0000     0.0000  70.139  19.681  ?       ?       0.000000       19.68150 
1 1 1 -12 11 29 o 114.568  18.024  137.177    34.865  137.177    34.865  0.0000     0.0000  114.568 18.024  ?       ?       0.000000       18.02395 
1 1 1 -12 11 30 o 130.993  16.618  175.126    37.155  175.126    37.155  0.0000     0.0000  130.993 16.618  ?       ?       0.000000       16.61817 
1 1 1 -12 11 31 o 53.883   18.982  30.407     22.197  30.407     22.197  0.0000     0.0000  53.883  18.982  ?       ?       0.000000       18.98224 
1 1 1 -12 11 32 o 51.237   18.708  26.580     21.778  26.580     21.778  0.0000     0.0000  51.237  18.708  ?       ?       0.000000       18.70756 
1 1 1 -12 11 33 o 44.377   17.796  15.689     20.998  15.689     20.998  0.0000     0.0000  44.377  17.796  ?       ?       0.000000       17.79649 
1 1 1 -12 12 1  o 42.928   16.413  17.602     17.159  -3.5019    19.336  95.815     37.223  33.414  15.186  84.502  24.067  -51.08809      28.45743 
1 1 1 -12 12 2  o 76.736   17.679  65.718     23.200  55.045     26.461  101.189    48.238  67.026  20.608  79.588  27.989  -12.56136      34.75726 
1 1 1 -12 12 3  o 71.369   18.182  57.756     22.721  43.932     26.755  93.514     43.030  59.946  20.858  79.525  26.476  -19.57935      33.70467 
1 1 1 -12 12 4  o 87.417   13.355  76.879     19.738  64.662     28.147  88.699     27.687  72.730  20.995  89.001  18.423  -16.27084      27.93220 
1 1 1 -12 12 5  o 82.894   15.311  71.877     21.345  46.579     43.278  80.009     24.536  59.804  24.937  86.000  16.943  -26.19535      30.14777 
1 1 1 -12 12 6  o 38.914   13.721  14.398     11.600  29.350     16.959  1.2500     15.902  52.048  16.572  32.906  14.433  19.14235       21.97574 
1 1 1 -12 12 7  o 59.324   15.055  37.150     15.620  34.571     20.617  40.624     23.933  55.438  18.320  58.919  19.747  -3.481140      26.93628 
1 1 1 -12 12 8  o 42.144   12.883  17.794     10.358  22.341     12.919  9.6133     17.330  46.537  14.415  38.391  15.875  8.145699       21.44285 
1 1 1 -12 12 9  o 41.244   14.215  16.654     12.412  15.525     17.219  17.874     17.908  41.958  16.335  43.736  16.757  -1.778000      23.40123 
1 1 1 -12 12 10 o 46.483   13.534  22.058     11.652  25.614     14.887  16.435     18.720  49.340  15.505  43.132  16.962  6.208538       22.98103 
1 1 1 -12 12 11 f 98.260   11.489  93.272     19.340  89.655     23.062  101.848    35.506  93.732  14.564  91.174  22.452  2.558228       26.76168 
1 1 1 -12 12 12 o 145.079  12.158  204.469    30.514  216.040    38.529  185.000    49.978  144.775 15.481  121.206 24.459  23.56868       28.94662 
1 1 1 -12 12 13 o 177.625  11.354  302.118    35.030  275.965    40.778  375.754    68.426  165.656 14.236  177.096 22.647  -11.44040      26.74999 
1 1 1 -12 12 14 f 139.091  11.274  185.341    27.144  167.939    31.860  231.422    51.845  128.880 14.404  140.108 21.910  -11.22818      26.22074 
1 1 1 -12 12 15 o 99.089   13.847  98.693     23.303  98.693     23.303  0.0000     0.0000  99.089  13.847  ?       ?       0.000000       13.84671 
1 1 1 -12 12 16 o 45.121   15.488  20.657     14.729  20.657     14.729  0.0000     0.0000  45.121  15.488  ?       ?       0.000000       15.48834 
1 1 1 -12 12 17 o 24.618   11.452  -8.1030    11.925  -8.1030    11.925  0.0000     0.0000  24.618  11.452  ?       ?       0.000000       11.45165 
1 1 1 -12 12 18 o 88.249   14.199  79.103     21.138  70.695     27.665  90.895     32.763  77.664  20.207  86.781  21.684  -9.116211      29.64009 
1 1 1 -12 12 19 o 34.672   13.772  8.6242     12.456  -16.4830   18.538  29.287     16.817  28.641  13.614  52.142  16.492  -23.50079      21.38534 
1 1 1 -12 12 20 o 92.757   10.981  82.641     17.440  91.048     21.240  65.248     30.552  95.703  13.051  72.151  22.137  23.55159       25.69817 
1 1 1 -12 12 21 o 51.249   12.770  26.619     11.385  30.623     14.534  20.259     18.316  53.880  14.932  45.357  17.046  8.522854       22.66154 
1 1 1 -12 12 22 o 46.643   13.756  22.368     11.968  10.820     14.742  44.696     20.498  37.573  14.964  63.051  17.826  -25.47816      23.27411 
1 1 1 -12 12 23 f 12.874   6.3590  -11.1590   5.2066  -12.8558   6.0306  -6.1913    10.318  13.842  6.8382  23.392  10.801  -9.550373      12.78403 
1 1 1 -12 12 24 o 68.270   14.490  48.463     16.739  45.761     22.818  51.610     24.630  62.581  19.120  65.872  19.807  -3.291100      27.52950 
1 1 1 -11 0  1  o 125.206  14.615  142.695    30.815  142.695    30.815  142.695    30.815  125.206 14.615  125.206 14.615  -0.000000      0.000000 
1 1 1 -11 0  2  o 95.628   24.609  94.507     35.515  94.507     35.515  94.507     35.515  95.628  24.609  95.628  24.609  -0.000000      0.000000 
1 1 1 -11 0  3  f 114.429  23.344  128.172    41.255  128.172    41.255  128.172    41.255  114.429 23.344  114.429 23.344  -0.000000      0.000000 
1 1 1 -11 0  4  o 600.218  37.218  3232.85    386.615 3232.85    386.615 3232.85    386.615 600.218 37.218  600.218 37.218  -0.000000      0.000000 
1 1 1 -11 0  5  o 323.348  25.241  936.193    140.508 936.193    140.508 936.193    140.508 323.348 25.241  323.348 25.241  0.000000       0.000000 
1 1 1 -11 0  6  o 95.922   24.800  95.223     35.898  95.223     35.898  95.223     35.898  95.922  24.800  95.922  24.800  0.000000       0.000000 
1 1 1 -11 0  7  o 392.882  27.889  1380.31    189.106 1380.31    189.106 1380.31    189.106 392.882 27.889  392.882 27.889  0.000000       0.000000 
1 1 1 -11 0  8  o 134.363  22.043  170.592    47.533  170.592    47.533  170.592    47.533  134.363 22.043  134.363 22.043  -0.000000      0.000000 
1 1 1 -11 0  9  o 134.242  22.245  170.534    47.836  170.534    47.836  170.534    47.836  134.242 22.245  134.242 22.245  -0.000000      0.000000 
1 1 1 -11 0  10 o 209.395  15.064  389.757    54.421  389.757    54.421  389.757    54.421  209.395 15.064  209.395 15.064  -0.000000      0.000000 
1 1 1 -11 0  11 o 164.298  14.678  241.871    41.334  241.871    41.334  241.871    41.334  164.298 14.678  164.298 14.678  0.000000       0.000000 
1 1 1 -11 0  12 o 248.893  15.895  549.102    68.431  549.102    68.431  549.102    68.431  248.893 15.895  248.893 15.895  0.000000       0.000000 
1 1 1 -11 0  13 o 33.317   19.702  10.834     19.737  10.834     19.737  10.834     19.737  33.317  19.702  33.317  19.702  -0.000000      0.000000 
1 1 1 -11 0  14 o 108.807  15.349  109.637    27.491  109.637    27.491  109.637    27.491  108.807 15.349  108.807 15.349  0.000000       0.000000 
1 1 1 -11 0  15 o 403.113  19.750  1436.00    138.251 1436.00    138.251 1436.00    138.251 403.113 19.750  403.113 19.750  -0.000000      0.000000 
1 1 1 -11 0  16 o 180.267  14.661  290.076    45.445  290.076    45.445  290.076    45.445  180.267 14.661  180.267 14.661  0.000000       0.000000 
1 1 1 -11 0  17 o 83.694   17.928  69.128     23.007  69.128     23.007  69.128     23.007  83.694  17.928  83.694  17.928  0.000000       0.000000 
1 1 1 -11 0  18 o 573.061  24.388  2905.65    243.020 2905.65    243.020 2905.65    243.020 573.061 24.388  573.061 24.388  -0.000000      0.000000 
1 1 1 -11 0  19 o 48.099   19.782  28.392     16.435  28.392     16.435  28.392     16.435  48.099  19.782  48.099  19.782  0.000000       0.000000 
1 1 1 -11 0  20 o 96.364   16.070  87.786     24.778  87.786     24.778  87.786     24.778  96.364  16.070  96.364  16.070  0.000000       0.000000 
1 1 1 -11 0  21 f 252.007  15.817  562.947    68.972  562.947    68.972  562.947    68.972  252.007 15.817  252.007 15.817  0.000000       0.000000 
1 1 1 -11 0  22 f 128.542  14.654  150.221    31.785  150.221    31.785  150.221    31.785  128.542 14.654  128.542 14.654  -0.000000      0.000000 
1 1 1 -11 0  23 o 557.869  35.320  2800.23    340.881 2800.23    340.881 2800.23    340.881 557.869 35.320  557.869 35.320  0.000000       0.000000 
1 1 1 -11 0  24 o 100.299  15.261  93.994     24.892  93.994     24.892  93.994     24.892  100.299 15.261  100.299 15.261  -0.000000      0.000000 
1 1 1 -11 0  25 o 111.245  13.624  113.114    25.402  113.114    25.402  113.114    25.402  111.245 13.624  111.245 13.624  -0.000000      0.000000 
1 1 1 -11 0  26 o 312.257  24.969  876.043    134.135 876.043    134.135 876.043    134.135 312.257 24.969  312.257 24.969  0.000000       0.000000 
1 1 1 -11 0  27 o 229.089  22.631  475.329    88.497  475.329    88.497  475.329    88.497  229.089 22.631  229.089 22.631  -0.000000      0.000000 
1 1 1 -11 0  28 f 127.639  24.202  157.852    48.292  157.852    48.292  157.852    48.292  127.639 24.202  127.639 24.202  0.000000       0.000000 
1 1 1 -11 0  29 o 539.014  23.221  2575.86    217.619 2575.86    217.619 2575.86    217.619 539.014 23.221  539.014 23.221  -0.000000      0.000000 
1 1 1 -11 0  30 o 569.035  36.025  2930.86    354.646 2930.86    354.646 2930.86    354.646 569.035 36.025  569.035 36.025  0.000000       0.000000 
1 1 1 -11 0  31 o 444.520  20.292  1750.21    156.755 1750.21    156.755 1750.21    156.755 444.520 20.292  444.520 20.292  0.000000       0.000000 
1 1 1 -11 0  32 o 213.206  17.415  407.244    63.837  407.244    63.837  407.244    63.837  213.206 17.415  213.206 17.415  0.000000       0.000000 
1 1 1 -11 0  33 o 323.114  17.476  925.651    97.936  925.651    97.936  925.651    97.936  323.114 17.476  323.114 17.476  -0.000000      0.000000 
1 1 1 -11 0  34 o 287.033  24.488  744.834    120.672 744.834    120.672 744.834    120.672 287.033 24.488  287.033 24.488  0.000000       0.000000 
1 1 1 -11 0  35 o 195.902  22.743  352.496    75.059  352.496    75.059  352.496    75.059  195.902 22.743  195.902 22.743  0.000000       0.000000 
1 1 1 -11 0  36 o 107.723  26.220  119.039    42.733  119.039    42.733  119.039    42.733  107.723 26.220  107.723 26.220  -0.000000      0.000000 
1 1 1 -11 0  37 o 376.815  27.642  1286.51    179.617 1286.51    179.617 1286.51    179.617 376.815 27.642  376.815 27.642  0.000000       0.000000 
1 1 1 -11 0  38 o 376.801  27.670  1288.63    179.794 1288.63    179.794 1288.63    179.794 376.801 27.670  376.801 27.670  0.000000       0.000000 
1 1 1 -11 0  39 o 360.536  27.052  1181.48    168.096 1181.48    168.096 1181.48    168.096 360.536 27.052  360.536 27.052  -0.000000      0.000000 
1 1 1 -11 0  40 o 568.015  36.787  2991.57    361.341 2991.57    361.341 2991.57    361.341 568.015 36.787  568.015 36.787  0.000000       0.000000 
1 1 1 -11 0  41 o 319.267  25.558  930.082    140.377 930.082    140.377 930.082    140.377 319.267 25.558  319.267 25.558  -0.000000      0.000000 
1 1 1 -11 0  42 o 331.708  17.970  982.869    103.384 982.869    103.384 982.869    103.384 331.708 17.970  331.708 17.970  -0.000000      0.000000 
1 1 1 -11 0  43 o 149.586  14.801  203.069    37.789  203.069    37.789  203.069    37.789  149.586 14.801  149.586 14.801  0.000000       0.000000 
1 1 1 -11 0  44 o 109.705  15.543  112.464    28.049  112.464    28.049  112.464    28.049  109.705 15.543  109.705 15.543  -0.000000      0.000000 
1 1 1 -11 0  45 o 204.184  15.217  375.014    53.560  375.014    53.560  375.014    53.560  204.184 15.217  204.184 15.217  0.000000       0.000000 
1 1 1 -11 0  46 o 31.652   17.053  12.723     13.069  12.723     13.069  12.723     13.069  31.652  17.053  31.652  17.053  0.000000       0.000000 
1 1 1 -11 0  47 o 42.072   18.919  22.836     14.868  22.836     14.868  22.836     14.868  42.072  18.919  42.072  18.919  0.000000       0.000000 
1 1 1 -11 0  48 o 135.644  14.820  169.033    34.036  169.033    34.036  169.033    34.036  135.644 14.820  135.644 14.820  0.000000       0.000000 
1 1 1 -11 0  49 o 264.551  16.489  632.956    75.490  632.956    75.490  632.956    75.490  264.551 16.489  264.551 16.489  0.000000       0.000000 
1 1 1 -11 0  50 o 115.480  15.521  125.128    29.707  125.128    29.707  125.128    29.707  115.480 15.521  115.480 15.521  0.000000       0.000000 
1 1 1 -11 0  51 o 68.810   21.099  53.036     22.160  53.036     22.160  53.036     22.160  68.810  21.099  68.810  21.099  -0.000000      0.000000 
1 1 1 -11 0  52 o 103.637  17.680  104.577    29.198  104.577    29.198  104.577    29.198  103.637 17.680  103.637 17.680  0.000000       0.000000 
1 1 1 -11 0  53 o 140.749  15.647  184.673    37.239  184.673    37.239  184.673    37.239  140.749 15.647  140.749 15.647  -0.000000      0.000000 
1 1 1 -11 0  54 o 133.460  15.800  167.339    35.461  167.339    35.461  167.339    35.461  133.460 15.800  133.460 15.800  -0.000000      0.000000 
1 1 1 -11 0  55 o 254.756  16.611  599.176    73.167  599.176    73.167  599.176    73.167  254.756 16.611  254.756 16.611  -0.000000      0.000000 
1 1 1 -11 0  56 f 36.858   21.977  15.692     24.918  15.692     24.918  15.692     24.918  36.858  21.977  36.858  21.977  -0.000000      0.000000 
1 1 1 -11 0  57 o 233.223  24.698  545.585    97.997  545.585    97.997  545.585    97.997  233.223 24.698  233.223 24.698  0.000000       0.000000 
1 1 1 -11 0  58 o 108.033  28.015  133.370    45.669  133.370    45.669  133.370    45.669  108.033 28.015  108.033 28.015  0.000000       0.000000 
1 1 1 -11 0  59 o 116.955  27.452  153.584    48.711  153.584    48.711  153.584    48.711  116.955 27.452  116.955 27.452  -0.000000      0.000000 
1 1 1 -11 0  60 o 174.203  16.014  288.522    47.764  288.522    47.764  288.522    47.764  174.203 16.014  174.203 16.014  -0.000000      0.000000 
1 1 1 -11 0  61 o 314.598  29.583  1091.33    159.201 1091.33    159.201 1091.33    159.201 314.598 29.583  314.598 29.583  -0.000000      0.000000 
1 1 1 -11 0  62 o 374.553  21.003  1399.93    136.369 1399.93    136.369 1399.93    136.369 374.553 21.003  374.553 21.003  -0.000000      0.000000 
1 1 1 -11 0  63 o 41.946   22.037  26.594     21.362  26.594     21.362  26.594     21.362  41.946  22.037  41.946  22.037  -0.000000      0.000000 
1 1 1 -11 0  64 o 20.591   14.108  -8.1755    16.190  -8.1755    16.190  -8.1755    16.190  20.591  14.108  20.591  14.108  0.000000       0.000000 
1 1 1 -11 0  65 o 34.524   19.957  17.150     19.502  17.150     19.502  17.150     19.502  34.524  19.957  34.524  19.957  0.000000       0.000000 
1 1 1 -11 1  1  o 579.228  19.999  2963.44    202.264 2824.35    350.229 3033.05    247.757 557.133 36.199  584.388 24.281  -27.25427      43.58775 
1 1 1 -11 1  2  f 339.652  13.918  1012.81    82.542  1030.76    142.899 1003.83    101.117 339.913 24.236  337.214 17.231  2.698517       29.73664 
1 1 1 -11 1  3  o 624.310  21.412  3447.33    233.410 3278.75    404.213 3531.67    285.891 598.948 38.861  629.976 25.990  -31.02820      46.75098 
1 1 1 -11 1  4  o 361.711  12.632  1147.38    79.778  1040.62    112.721 1254.52    112.924 343.018 18.893  377.513 17.131  -34.49469      25.50359 
1 1 1 -11 1  5  o 232.571  10.604  473.700    43.060  455.935    60.982  491.366    60.811  227.254 15.460  236.059 14.829  -8.805176      21.42242 
1 1 1 -11 1  6  o 306.688  11.871  824.348    63.571  836.690    89.956  812.035    89.850  307.931 16.794  303.300 17.035  4.630981       23.92138 
1 1 1 -11 1  7  o 198.538  10.433  346.097    36.041  337.658    51.102  354.449    50.840  195.484 15.088  200.383 14.632  -4.898849      21.01754 
1 1 1 -11 1  8  o 305.833  11.461  819.489    61.200  763.493    86.413  875.844    86.689  294.115 16.898  315.681 15.727  -21.56613      23.08409 
1 1 1 -11 1  9  o 181.764  9.7807  290.008    30.927  242.529    43.509  338.500    43.970  165.472 15.230  196.049 12.917  -30.57735      19.97002 
1 1 1 -11 1  10 o 130.181  11.162  149.527    25.126  126.099    30.675  197.294    43.801  118.883 15.119  148.781 17.176  -29.89757      22.88277 
1 1 1 -11 1  11 o 276.260  13.080  669.306    63.096  650.931    77.301  705.989    109.219 271.612 16.376  281.658 22.393  -10.04510      27.74210 
1 1 1 -11 1  12 o 282.794  13.131  701.348    64.838  728.675    79.499  647.059    112.053 287.520 15.897  269.173 24.096  18.34631       28.86780 
1 1 1 -11 1  13 o 145.791  11.456  187.337    28.928  205.137    35.605  152.771    49.617  152.332 13.527  129.582 22.760  22.75034       26.47600 
1 1 1 -11 1  14 o 250.120  12.599  549.795    54.848  586.149    67.279  477.763    94.704  257.930 15.004  231.068 23.814  26.86195       28.14637 
1 1 1 -11 1  15 o 320.819  16.930  907.699    94.504  802.227    133.337 1014.17    133.964 299.526 25.745  337.815 22.846  -38.28839      34.42004 
1 1 1 -11 1  16 o 242.407  12.345  516.346    52.077  494.777    63.692  559.850    90.456  236.832 15.487  250.996 20.828  -14.16428      25.95512 
1 1 1 -11 1  17 o 423.698  19.796  1583.11    146.452 1752.05    207.373 1415.00    206.856 443.083 26.932  396.931 30.070  46.15216       40.36717 
1 1 1 -11 1  18 o 269.825  16.285  642.249    76.364  630.562    108.081 653.898    107.909 265.862 23.525  270.892 23.032  -5.029053      32.92319 
1 1 1 -11 1  19 o 260.409  16.085  598.219    72.781  595.746    103.028 600.683    102.827 258.468 23.071  259.578 22.922  -1.110107      32.52280 
1 1 1 -11 1  20 o 239.635  12.652  504.807    52.753  530.198    64.580  453.892    91.451  245.245 15.155  225.214 23.607  20.03127       28.05291 
1 1 1 -11 1  21 o 329.215  14.187  951.179    81.553  982.814    99.915  888.038    141.159 333.803 17.201  315.191 25.877  18.61215       31.07283 
1 1 1 -11 1  22 o 239.371  12.608  503.697    52.511  522.183    64.367  466.909    90.802  243.360 15.224  228.561 23.068  14.79971       27.63912 
1 1 1 -11 1  23 o 440.215  16.831  1704.51    129.368 1685.16    158.476 1743.14    223.979 436.862 20.776  440.980 29.255  -4.117584      35.88147 
1 1 1 -11 1  24 o 222.187  21.834  440.491    83.614  0.0000     0.0000  440.491    83.614  ?       ?       222.187 21.834  0.000000       21.83447 
1 1 1 -11 1  25 o 124.580  11.672  137.175    25.093  140.796    44.325  135.467    30.441  124.582 21.132  123.399 14.399  1.183037       25.57119 
1 1 1 -11 1  26 o 164.547  11.110  238.249    31.734  281.732    56.469  218.178    38.365  177.886 18.449  157.029 14.144  20.85637       23.24677 
1 1 1 -11 1  27 o 113.135  10.697  113.090    20.880  190.520    39.733  83.550     24.542  146.386 15.795  96.391  15.076  49.99465       21.83486 
1 1 1 -11 1  28 o 199.833  12.587  351.564    43.696  363.738    77.437  345.876    52.928  201.506 22.387  197.785 15.449  3.721420       27.20009 
1 1 1 -11 1  29 o 160.126  14.935  227.212    41.276  254.493    59.169  201.350    57.609  168.511 20.534  149.103 22.857  19.40791       30.72598 
1 1 1 -11 1  30 o 276.920  13.119  672.899    63.432  652.735    77.658  713.319    109.953 271.863 16.437  282.891 22.444  -11.02786      27.81940 
1 1 1 -11 1  31 o 80.304   11.338  57.625     15.456  58.057     21.921  57.199     21.796  79.802  16.283  79.196  16.305  0.6053238      23.04333 
1 1 1 -11 1  32 f 533.917  16.673  2510.41    155.439 2512.44    219.773 2508.38    219.874 531.809 23.668  531.367 23.698  0.4421997      33.49274 
1 1 1 -11 1  33 f 572.362  17.782  2889.31    177.713 2942.70    251.306 2835.91    251.343 574.772 25.041  564.030 25.521  10.74219       35.75427 
1 1 1 -11 1  34 o 266.832  11.034  624.138    51.407  558.596    72.467  690.530    72.935  251.253 16.612  279.795 14.984  -28.54121      22.37109 
1 1 1 -11 1  35 o 220.189  10.601  424.943    40.758  433.617    57.844  416.390    57.440  221.487 15.046  216.985 15.258  4.501465       21.42893 
1 1 1 -11 1  36 o 173.204  10.365  263.869    31.204  259.873    44.420  267.761    43.844  171.184 15.013  173.856 14.578  -2.672119      20.92570 
1 1 1 -11 1  37 f 386.467  13.620  1313.26    91.910  1369.92    130.126 1256.86    129.834 393.413 18.943  376.083 19.842  17.33023       27.43256 
1 1 1 -11 1  38 o 268.467  11.427  632.582    53.565  642.604    75.876  622.625    75.630  269.397 16.206  265.111 16.419  4.285461       23.06984 
1 1 1 -11 1  39 o 134.086  11.675  159.064    27.061  162.823    46.657  157.158    33.220  133.870 20.623  132.787 14.567  1.082840       25.24864 
1 1 1 -11 1  40 o 150.782  9.8692  200.224    25.840  246.064    51.841  185.070    29.807  165.663 18.223  144.642 11.908  21.02097       21.76873 
1 1 1 -11 1  41 o 463.388  15.013  1895.68    121.475 1910.10    242.877 1890.87    140.281 456.313 30.661  461.925 17.393  -5.611908      35.25076 
1 1 1 -11 1  42 o 154.313  11.832  210.650    31.637  254.319    54.754  188.764    38.762  168.055 18.993  145.316 15.517  22.73891       24.52558 
1 1 1 -11 1  43 o 197.351  10.478  343.128    35.976  337.581    50.924  348.655    50.831  194.802 15.089  198.057 14.806  -3.255432      21.14001 
1 1 1 -11 1  44 o 183.975  11.952  299.339    38.185  312.385    46.872  273.593    65.844  187.416 14.435  173.079 22.307  14.33710       26.56981 
1 1 1 -11 1  45 o 258.043  16.101  593.614    72.184  593.614    72.184  0.0000     0.0000  258.043 16.101  ?       ?       0.000000       16.10130 
1 1 1 -11 1  46 o 356.511  15.003  1127.75    93.393  1090.88    114.329 1201.70    161.916 348.549 18.856  361.582 25.816  -13.03308      31.96872 
1 1 1 -11 1  47 o 452.875  16.875  1830.41    133.436 1680.56    163.309 2131.38    231.444 430.328 21.806  479.197 27.780  -48.86887      35.31620 
1 1 1 -11 1  48 o 178.440  11.891  282.485    36.838  263.956    44.985  320.203    64.181  171.598 15.170  187.468 19.912  -15.87045      25.03255 
1 1 1 -11 1  49 o 158.076  14.556  224.115    39.724  224.115    39.724  0.0000     0.0000  158.076 14.556  ?       ?       0.000000       14.55583 
1 1 1 -11 1  50 o 170.765  14.613  261.674    43.151  261.674    43.151  0.0000     0.0000  170.765 14.613  ?       ?       0.000000       14.61271 
1 1 1 -11 1  51 o 157.047  11.762  219.634    32.018  195.641    38.918  269.885    56.323  147.133 15.376  171.604 19.122  -24.47185      24.53736 
1 1 1 -11 1  52 o 50.192   15.406  22.670     14.796  14.417     18.084  39.380     25.733  45.381  16.961  65.544  20.351  -20.16265      26.49227 
1 1 1 -11 1  53 o 134.130  12.294  161.230    28.472  162.568    34.917  158.575    49.187  133.790 15.217  129.234 22.622  4.556061       27.26385 
1 1 1 -11 1  54 o 101.479  11.192  92.433     19.502  101.574    27.513  83.204     27.647  105.221 15.434  94.424  17.410  10.79694       23.26617 
1 1 1 -11 1  55 o 194.279  10.709  335.819    36.187  311.402    51.212  360.167    51.140  184.925 16.019  199.561 14.782  -14.63564      21.79671 
1 1 1 -11 1  56 o 238.704  11.122  506.747    46.356  479.416    65.291  534.531    65.827  229.197 16.424  242.559 15.626  -13.36235      22.66939 
1 1 1 -11 1  57 o 40.658   14.314  13.310     12.619  5.0073     16.716  24.311     19.241  38.059  15.649  52.695  17.706  -14.63641      23.62984 
1 1 1 -11 1  58 o 148.002  10.217  195.532    26.241  183.972    36.528  207.860    37.723  141.763 14.984  150.989 14.486  -9.226242      20.84173 
1 1 1 -11 1  59 o 273.883  11.753  671.342    56.207  691.591    79.469  651.074    79.507  274.170 16.679  265.529 17.242  8.641388       23.98951 
1 1 1 -11 1  60 o 205.506  10.891  378.099    38.941  356.065    54.736  400.678    55.410  196.558 16.090  209.101 15.282  -12.54306      22.19065 
1 1 1 -11 1  61 o 173.821  10.792  270.987    32.591  264.256    45.789  277.900    46.399  169.183 15.679  173.650 15.465  -4.467270      22.02210 
1 1 1 -11 1  62 o 153.013  12.554  212.613    33.247  187.231    57.428  225.409    40.774  136.087 25.093  156.245 15.136  -20.15758      29.30402 
1 1 1 -11 1  63 o 44.693   16.137  16.106     16.140  -1.9458    28.450  24.674     19.600  44.122  19.330  52.547  17.869  -8.425468      26.32382 
1 1 1 -11 1  64 o 130.898  24.196  174.233    53.264  0.0000     0.0000  174.233    53.264  ?       ?       130.898 24.196  0.000000       24.19578 
1 1 1 -11 1  65 o 67.475   22.932  44.332     32.280  0.0000     0.0000  44.332     32.280  ?       ?       67.475  22.932  0.000000       22.93188 
1 1 1 -11 2  1  o 188.986  12.116  314.467    39.769  299.905    48.731  343.502    68.812  184.069 15.301  196.108 20.394  -12.03893      25.49586 
1 1 1 -11 2  2  o 398.934  15.772  1399.75    109.862 1359.14    134.572 1480.92    190.232 391.809 19.734  406.637 26.945  -14.82797      33.39857 
1 1 1 -11 2  3  o 116.435  11.995  120.105    24.038  114.400    29.568  131.225    41.280  113.062 15.376  120.262 20.387  -7.200912      25.53533 
1 1 1 -11 2  4  o 262.648  11.061  604.403    50.728  549.092    71.541  660.333    71.940  249.262 16.531  273.702 15.112  -24.43997      22.39751 
1 1 1 -11 2  5  o 362.673  12.917  1153.84    81.798  1061.63    115.655 1246.13    115.706 346.366 19.199  376.126 17.618  -29.76028      26.05726 
1 1 1 -11 2  6  o 176.380  10.062  273.263    30.860  245.693    43.589  300.968    43.695  166.539 15.156  184.685 13.647  -18.14644      20.39443 
1 1 1 -11 2  7  o 95.463   10.330  80.728     16.944  81.260     23.846  80.186     24.080  95.068  14.851  94.376  15.124  0.6919937      21.19652 
1 1 1 -11 2  8  o 245.810  10.852  529.248    46.579  471.415    65.741  587.547    66.004  230.936 16.410  258.231 14.699  -27.29494      22.03115 
1 1 1 -11 2  9  o 152.706  9.6577  204.922    25.618  192.251    36.378  217.388    36.083  147.292 14.326  156.859 13.300  -9.567337      19.54802 
1 1 1 -11 2  10 o 68.800   10.688  42.429     12.423  32.816     17.879  51.402     17.273  60.151  16.518  75.397  13.622  -15.24561      21.41075 
1 1 1 -11 2  11 o 190.875  10.174  319.873    33.784  300.332    47.889  339.235    47.668  184.308 15.011  196.104 14.014  -11.79572      20.53581 
1 1 1 -11 2  12 o 275.789  11.067  666.239    53.292  607.468    75.340  725.092    75.392  262.301 16.534  286.913 15.102  -24.61151      22.39360 
1 1 1 -11 2  13 o 262.801  12.819  605.638    58.824  595.712    71.984  625.591    102.056 259.847 15.943  265.021 22.261  -5.174591      27.38069 
1 1 1 -11 2  14 o 331.293  12.031  961.935    69.596  854.050    98.306  1070.34    98.541  310.870 18.190  348.915 16.175  -38.04514      24.34128 
1 1 1 -11 2  15 o 111.367  11.736  109.872    22.477  111.845    26.988  105.405    40.613  112.016 14.111  107.213 22.416  4.803444       26.48769 
1 1 1 -11 2  16 f 342.052  14.053  1026.86    83.933  950.521    102.664 1180.74    145.755 328.060 17.991  364.480 23.021  -36.41922      29.21727 
1 1 1 -11 2  17 o 185.804  11.425  303.585    36.885  279.368    44.919  353.715    64.627  177.788 14.599  199.486 18.775  -21.69824      23.78278 
1 1 1 -11 2  18 o 261.462  12.432  599.309    56.755  534.883    69.380  729.631    98.676  246.127 16.235  286.919 19.818  -40.79236      25.61913 
1 1 1 -11 2  19 o 198.852  11.664  347.662    40.323  313.846    49.098  417.733    70.676  188.438 15.048  216.912 18.848  -28.47443      24.11808 
1 1 1 -11 2  20 o 442.692  16.305  1723.24    126.031 1645.50    154.260 1879.30    218.566 431.707 20.464  458.554 27.424  -26.84668      34.21766 
1 1 1 -11 2  21 o 385.889  18.432  1312.04    124.191 1312.04    124.191 0.0000     0.0000  385.889 18.432  ?       ?       0.000000       18.43170 
1 1 1 -11 2  22 o 262.112  13.246  604.199    60.424  604.199    60.424  0.0000     0.0000  262.112 13.246  ?       ?       0.000000       13.24551 
1 1 1 -11 2  23 o 108.103  11.963  103.667    22.202  103.667    22.202  0.0000     0.0000  108.103 11.963  ?       ?       0.000000       11.96280 
1 1 1 -11 2  24 o 159.219  11.868  223.409    32.758  223.409    32.758  0.0000     0.0000  159.219 11.868  ?       ?       0.000000       11.86830 
1 1 1 -11 2  25 o 317.235  14.428  883.777    79.918  854.144    98.088  942.292    137.835 310.827 18.152  324.916 24.475  -14.08963      30.47196 
1 1 1 -11 2  26 o 520.586  18.815  2390.07    171.024 2409.52    209.656 2351.39    295.672 521.395 23.029  509.885 33.395  11.50958       40.56550 
1 1 1 -11 2  27 o 649.150  21.846  3730.27    247.620 3826.09    303.413 3539.16    428.488 655.305 26.517  621.455 39.695  33.85004       47.73766 
1 1 1 -11 2  28 o 72.388   13.809  47.526     16.817  70.836     21.697  12.452     26.614  88.666  14.517  50.897  20.158  37.76876       24.84146 
1 1 1 -11 2  29 o 113.183  12.267  113.653    23.855  101.607    29.851  134.942    39.683  106.189 16.647  122.208 19.233  -16.01835      25.43616 
1 1 1 -11 2  30 o 443.072  16.628  1728.72    128.637 1781.78    157.768 1623.48    222.185 448.925 20.127  424.237 30.192  24.68790       36.28545 
1 1 1 -11 2  31 o 280.166  13.192  689.114    64.536  724.511    79.364  620.019    110.883 286.474 15.929  262.912 24.434  23.56219       29.16739 
1 1 1 -11 2  32 o 623.508  22.255  3449.88    242.286 3328.09    296.836 3692.98    419.378 609.597 27.888  634.345 38.039  -24.74799      47.16642 
1 1 1 -11 2  33 o 309.534  14.236  842.304    76.941  807.818    94.451  910.329    132.656 301.990 17.994  318.917 23.998  -16.92691      29.99509 
1 1 1 -11 2  34 o 230.000  12.711  465.904    50.848  478.633    62.638  441.306    87.074  232.641 15.509  221.665 22.823  10.97598       27.59431 
1 1 1 -11 2  35 o 302.151  13.746  802.679    72.519  815.725    89.095  777.070    124.833 303.603 16.873  294.093 24.534  9.509521       29.77615 
1 1 1 -11 2  36 o 45.002   14.713  17.139     13.311  2.2492     17.812  35.969     20.032  38.139  15.959  62.908  17.564  -24.76861      23.73151 
1 1 1 -11 2  37 o 142.825  11.460  180.191    28.340  199.903    35.344  144.703    47.425  150.139 13.631  125.659 22.438  24.48047       26.25377 
1 1 1 -11 2  38 o 161.285  11.957  229.758    33.434  251.559    58.161  218.998    40.860  167.070 20.358  156.896 15.102  10.17456       25.34810 
1 1 1 -11 2  39 o 488.896  15.234  2109.40    130.044 2216.03    260.108 2073.86    150.157 492.457 30.398  483.822 17.775  8.635101       35.21368 
1 1 1 -11 2  40 o 109.559  11.149  106.516    21.030  89.019     37.431  114.587    25.421  97.876  22.388  113.345 13.085  -15.46848      25.93180 
1 1 1 -11 2  41 o 201.709  12.127  359.286    42.512  436.884    74.034  321.112    51.927  220.670 19.412  189.879 15.806  30.79097       25.03289 
1 1 1 -11 2  42 o 554.563  19.827  2746.23    191.989 3212.21    332.733 2513.65    235.068 588.040 32.532  526.685 25.561  61.35522       41.37312 
1 1 1 -11 2  43 o 321.009  17.430  919.224    97.331  950.646    137.956 888.082    137.339 323.087 24.640  311.792 25.449  11.29562       35.42303 
1 1 1 -11 2  44 o 110.174  11.439  108.023    21.684  119.923    27.153  87.070     36.029  115.695 13.708  96.504  21.885  19.19102       25.82376 
1 1 1 -11 2  45 o 320.074  17.572  917.017    97.830  917.017    97.830  0.0000     0.0000  320.074 17.572  ?       ?       0.000000       17.57208 
1 1 1 -11 2  46 o 366.288  18.935  1207.05    120.687 1207.05    120.687 0.0000     0.0000  366.288 18.935  ?       ?       0.000000       18.93487 
1 1 1 -11 2  47 o 367.538  12.732  1195.37    81.704  1267.04    115.638 1123.93    115.457 376.098 17.609  353.151 18.792  22.94748       25.75276 
1 1 1 -11 2  48 o 175.762  10.115  273.074    30.911  249.234    43.611  297.143    43.820  166.594 15.158  182.409 13.862  -15.81488      20.54095 
1 1 1 -11 2  49 o 91.140   10.364  74.192     16.200  44.749     22.188  107.804    23.708  69.232  18.138  109.586 12.621  -40.35332      22.09640 
1 1 1 -11 2  50 o 291.765  11.593  753.668    59.060  658.223    83.269  850.290    83.781  269.614 17.788  307.790 15.641  -38.17572      23.68629 
1 1 1 -11 2  51 o 137.531  10.235  167.974    24.403  153.236    33.734  184.152    35.345  130.002 15.145  142.913 14.358  -12.91089      20.86954 
1 1 1 -11 2  52 o 63.995   14.629  38.082     15.990  42.306     18.698  26.584     30.849  67.259  16.129  59.530  22.171  7.729164       27.41764 
1 1 1 -11 2  53 o 134.630  12.169  162.530    28.298  152.577    33.984  185.035    51.100  129.408 15.339  140.057 21.589  -10.64923      26.48331 
1 1 1 -11 2  54 o 165.961  12.253  246.758    35.257  240.273    42.933  260.190    61.785  162.605 15.302  166.050 21.840  -3.445206      26.66683 
1 1 1 -11 2  55 f 62.908   15.632  37.173     17.096  40.986     20.459  28.350     31.121  65.851  17.496  60.163  22.296  5.687595       28.34123 
1 1 1 -11 2  56 o 93.441   13.670  79.992     21.644  76.680     26.258  87.013     38.227  90.256  17.291  94.069  23.376  -3.813057      29.07621 
1 1 1 -11 2  57 o 30.869   12.630  3.3148     10.821  -4.8806    14.392  13.971     16.412  30.272  13.482  43.618  16.186  -13.34536      21.06565 
1 1 1 -11 2  58 o 132.308  12.346  158.277    28.192  162.336    46.537  155.923    35.435  129.879 21.256  129.848 15.966  0.3105164E-01  26.58446 
1 1 1 -11 2  59 f 167.781  14.937  257.978    43.302  242.385    59.669  275.327    62.937  158.238 22.208  169.045 21.833  -10.80722      31.14240 
1 1 1 -11 2  60 o 69.893   17.662  47.000     21.563  50.970     27.230  40.325     35.313  72.266  20.585  66.939  23.904  5.326599       31.54585 
1 1 1 -11 2  61 o 144.089  14.466  190.978    35.904  152.609    48.892  235.890    52.896  123.661 23.502  157.058 19.724  -33.39687      30.68196 
1 1 1 -11 2  62 o 123.684  16.361  143.611    34.467  0.0000     0.0000  143.611    34.467  ?       ?       123.684 16.361  0.000000       16.36123 
1 1 1 -11 2  63 f 93.395   14.133  81.322     22.327  71.429     39.019  86.138     27.225  83.168  24.912  94.886  17.060  -11.71785      30.19350 
1 1 1 -11 2  64 o 64.312   19.095  40.435     22.998  49.190     32.405  31.548     32.646  70.344  22.954  60.769  22.773  9.575562       32.33465 
1 1 1 -11 3  1  o 246.495  12.902  534.724    55.337  455.166    95.858  574.490    67.770  224.835 24.832  255.120 15.284  -30.28508      29.15845 
1 1 1 -11 3  2  o 337.079  14.552  998.613    85.648  926.211    148.415 1034.77    104.873 321.076 26.716  342.158 17.614  -21.08224      31.99955 
1 1 1 -11 3  3  o 348.352  14.804  1066.68    90.044  930.514    155.983 1134.73    110.273 321.403 28.077  358.788 17.602  -37.38486      33.13819 
1 1 1 -11 3  4  o 417.578  16.362  1534.91    119.296 1491.07    206.829 1556.76    146.036 406.939 29.305  419.709 19.927  -12.77002      35.43821 
1 1 1 -11 3  5  o 370.519  15.251  1207.06    98.670  1118.67    171.114 1251.08    120.770 352.730 28.014  376.619 18.365  -23.88901      33.49694 
1 1 1 -11 3  6  o 156.798  14.889  217.984    40.275  189.950    57.463  245.053    56.464  144.519 23.586  165.393 19.955  -20.87395      30.89482 
1 1 1 -11 3  7  o 189.696  12.214  316.850    40.239  314.416    49.425  321.637    69.298  188.533 15.142  189.513 21.312  -0.9799652     26.14316 
1 1 1 -11 3  8  o 247.096  12.852  537.085    55.259  517.093    67.700  576.987    95.646  241.916 16.120  254.413 21.740  -12.49731      27.06406 
1 1 1 -11 3  9  o 190.698  12.048  320.097    39.909  315.635    48.837  329.067    69.241  188.945 14.925  191.801 21.020  -2.855057      25.77925 
1 1 1 -11 3  10 o 370.211  14.744  1204.15    95.307  1097.17    116.599 1419.53    165.438 352.145 19.034  399.252 23.840  -47.10718      30.50658 
1 1 1 -11 3  11 o 627.632  26.164  3507.53    286.731 3146.06    405.258 3869.86    405.740 585.751 39.861  652.908 35.726  -67.15668      53.52778 
1 1 1 -11 3  12 o 322.260  17.040  916.772    95.543  748.660    134.846 1086.25    135.392 288.604 27.076  349.548 22.299  -60.94434      35.07642 
1 1 1 -11 3  13 o 387.661  15.303  1320.87    103.581 1208.57    126.712 1547.05    179.830 369.493 19.712  416.564 24.837  -47.07144      31.70820 
1 1 1 -11 3  14 o 380.032  15.002  1269.04    99.549  1185.96    121.763 1436.51    172.877 366.166 19.111  401.380 24.788  -35.21402      31.30012 
1 1 1 -11 3  15 o 95.667   12.819  81.691     20.874  90.865     25.514  63.121     36.302  100.617 14.980  83.326  23.780  17.29130       28.10433 
1 1 1 -11 3  16 o 441.102  13.285  1707.29    102.323 1717.86    144.754 1696.73    144.660 441.355 18.784  438.608 18.889  2.747925       26.63866 
1 1 1 -11 3  17 o 328.826  11.577  947.619    66.472  979.936    94.201  915.568    93.811  333.779 16.163  322.121 16.737  11.65833       23.26750 
1 1 1 -11 3  18 o 231.216  10.326  468.164    41.687  441.770    58.914  494.632    58.996  223.703 15.173  236.901 14.330  -13.19798      20.86983 
1 1 1 -11 3  19 o 403.375  13.662  1428.20    96.222  1427.94    136.112 1428.46    136.045 402.247 19.379  402.322 19.366  -0.7565308E-01 27.39728 
1 1 1 -11 3  20 o 370.258  15.016  1204.70    97.081  1258.27    119.012 1098.16    167.834 377.855 18.039  349.759 27.709  28.09619       33.06297 
1 1 1 -11 3  21 o 242.212  10.607  513.868    44.861  566.999    51.883  356.471    89.300  254.336 11.683  198.411 26.434  55.92479       28.90064 
1 1 1 -11 3  22 o 624.204  17.909  3433.88    195.193 3674.82    225.463 2712.95    390.002 644.976 20.020  542.470 41.489  102.5059       46.06681 
1 1 1 -11 3  23 o 55.145   17.729  26.102     19.374  26.102     19.374  0.0000     0.0000  55.145  17.729  ?       ?       0.000000       17.72869 
1 1 1 -11 3  24 o 747.489  21.400  4945.69    279.301 5014.64    322.553 4739.07    558.375 751.033 24.597  714.012 45.018  37.02087       51.29938 
1 1 1 -11 3  25 o 915.799  30.294  7528.84    484.413 7627.33    593.362 7332.01    838.805 915.488 37.120  875.081 55.180  40.40662       66.50316 
1 1 1 -11 3  26 o 488.113  17.774  2100.64    151.485 2526.23    262.772 1888.79    185.392 530.523 28.471  461.319 23.016  69.20413       36.61048 
1 1 1 -11 3  27 o 285.929  13.083  717.661    65.316  877.239    113.645 638.950    79.815  314.153 20.836  268.749 17.098  45.40369       26.95332 
1 1 1 -11 3  28 o 114.110  11.727  115.377    23.033  100.296    39.748  123.001    28.261  104.386 22.473  117.497 14.054  -13.11041      26.50573 
1 1 1 -11 3  29 o 266.808  13.059  625.040    60.839  754.460    105.837 561.170    74.350  291.112 20.962  251.754 17.014  39.35796       26.99760 
1 1 1 -11 3  30 o 80.570   12.642  58.340     17.200  96.122     31.369  42.098     20.567  102.879 18.125  67.805  17.312  35.07352       25.06404 
1 1 1 -11 3  31 o 283.057  13.289  703.890    65.679  488.939    113.910 810.940    80.387  231.646 28.783  303.533 15.168  -71.88754      32.53510 
1 1 1 -11 3  32 o 358.404  15.211  1131.03    95.191  1406.54    164.924 993.393    116.568 396.535 23.932  334.272 20.065  62.26343       31.23029 
1 1 1 -11 3  33 o 79.031   13.286  56.371     17.684  36.793     31.258  65.586     21.446  66.587  22.566  85.085  14.983  -18.49780      27.08724 
1 1 1 -11 3  34 o 216.062  12.219  411.288    45.907  406.487    79.507  413.689    56.226  212.732 21.709  216.203 14.987  -3.471329      26.37943 
1 1 1 -11 3  35 o 273.975  13.023  660.005    62.302  660.136    107.968 659.940    76.283  271.057 23.031  272.998 16.074  -1.941254      28.08529 
1 1 1 -11 3  36 o 201.187  11.803  356.750    41.279  363.932    71.637  353.180    50.508  201.277 20.677  199.676 14.588  1.601013       25.30531 
1 1 1 -11 3  37 o 312.952  13.768  862.667    75.232  812.533    130.369 887.697    92.117  299.689 25.146  316.369 16.735  -16.68054      30.20600 
1 1 1 -11 3  38 o 315.026  11.922  872.590    65.580  809.791    131.067 893.563    75.743  298.806 25.361  318.445 13.622  -19.63867      28.78763 
1 1 1 -11 3  39 o 397.848  13.404  1395.19    93.112  1431.56    186.191 1383.05    107.523 396.413 27.061  395.455 15.572  0.9579773      31.22187 
1 1 1 -11 3  40 o 402.523  13.508  1429.41    94.938  1422.10    189.894 1431.85    109.622 394.085 27.774  402.165 15.611  -8.079956      31.86103 
1 1 1 -11 3  41 o 175.545  9.9087  271.515    30.247  283.456    60.508  267.537    34.924  176.997 19.925  173.964 11.563  3.033508       23.03741 
1 1 1 -11 3  42 o 61.735   14.209  35.041     14.998  27.512     26.301  38.670     18.258  58.692  20.664  64.743  16.193  -6.051498      26.25294 
1 1 1 -11 3  43 o 249.886  12.277  551.005    53.565  618.559    92.695  517.137    65.633  261.581 20.458  240.792 15.696  20.78899       25.78563 
1 1 1 -11 3  44 o 273.236  12.612  659.730    60.172  707.182    104.427 636.145    73.622  278.917 21.611  266.930 15.867  11.98703       26.81077 
1 1 1 -11 3  45 o 278.279  13.206  685.764    64.166  638.922    111.275 709.099    78.539  263.142 24.500  281.604 16.039  -18.46185      29.28321 
1 1 1 -11 3  46 o 136.902  11.616  166.714    27.505  187.336    47.825  156.522    33.622  142.867 19.695  131.835 14.866  11.03195       24.67576 
1 1 1 -11 3  47 o 285.931  13.332  725.797    66.562  702.250    115.345 737.553    81.501  275.154 24.256  286.613 16.353  -11.45941      29.25428 
1 1 1 -11 3  48 o 101.098  10.420  91.140     18.130  85.911     25.515  96.471     25.765  96.872  15.616  103.013 14.745  -6.141426      21.47711 
1 1 1 -11 3  49 o 145.510  9.9000  187.666    25.003  171.439    35.233  204.129    35.488  137.729 14.888  150.809 13.624  -13.07986      20.18084 
1 1 1 -11 3  50 o 123.928  10.494  136.748    22.494  121.619    31.679  152.132    31.944  115.249 16.189  129.714 14.344  -14.46537      21.62935 
1 1 1 -11 3  51 o 254.531  10.879  574.056    48.348  517.865    68.191  630.857    68.559  239.002 16.440  264.749 14.891  -25.74706      22.18199 
1 1 1 -11 3  52 o 186.838  11.159  310.941    36.239  292.071    61.797  320.832    44.739  177.044 20.361  188.876 13.658  -11.83165      24.51785 
1 1 1 -11 3  53 o 117.386  11.578  123.748    23.421  162.240    40.057  103.753    28.870  132.306 17.790  105.978 16.109  26.32800       23.99961 
1 1 1 -11 3  54 o 206.997  15.375  389.637    55.174  348.946    77.063  432.434    79.031  190.775 23.641  214.247 21.413  -23.47182      31.89688 
1 1 1 -11 3  55 f 145.214  15.281  193.023    38.164  181.958    52.743  205.182    55.290  137.221 22.814  146.122 22.384  -8.900253      31.96110 
1 1 1 -11 3  56 o 87.095   17.736  72.062     26.055  94.000     35.240  45.610     38.696  98.375  21.145  70.963  25.056  27.41262       32.78627 
1 1 1 -11 3  57 o 97.159   11.231  85.380     18.703  74.991     26.103  96.340     26.810  88.869  17.445  101.766 15.584  -12.89661      23.39217 
1 1 1 -11 3  58 o 174.755  12.120  275.503    36.755  297.874    63.909  264.446    44.929  176.175 21.201  169.569 15.341  6.606522       26.16933 
1 1 1 -11 3  59 o 181.093  15.579  302.566    48.781  272.735    68.391  333.460    69.598  165.736 24.360  185.525 21.908  -19.78876      32.76189 
1 1 1 -11 3  60 o 51.922   18.167  23.316     20.312  24.020     27.625  22.489     29.969  55.446  20.915  55.716  21.589  -0.2703590     30.05851 
1 1 1 -11 3  61 o 63.896   14.790  38.824     16.175  28.468     18.983  66.270     30.904  55.211  17.528  81.389  21.445  -26.17871      27.69726 
1 1 1 -11 3  62 o 174.202  11.687  274.955    35.341  244.944    42.619  341.019    63.234  162.341 15.213  188.264 19.520  -25.92316      24.74774 
1 1 1 -11 3  63 o 71.822   13.355  48.449     16.132  57.795     21.744  37.006     24.060  77.342  16.598  61.890  19.742  15.45228       25.79216 
1 1 1 -11 4  1  o 177.126  10.327  275.853    31.801  265.293    44.578  286.797    45.380  173.021 14.901  180.002 14.563  -6.981018      20.83582 
1 1 1 -11 4  2  o 215.546  10.695  407.220    40.252  380.347    56.910  434.123    56.940  207.234 15.848  221.670 14.796  -14.43575      21.68132 
1 1 1 -11 4  3  o 320.091  12.053  898.945    67.364  793.490    95.068  1005.29    95.469  299.231 18.283  337.826 16.185  -38.59470      24.41768 
1 1 1 -11 4  4  o 240.181  10.972  505.677    46.016  478.934    64.977  532.582    65.175  232.661 16.094  245.559 15.276  -12.89740      22.18941 
1 1 1 -11 4  5  o 329.413  12.404  952.235    71.347  935.326    100.807 969.206    100.994 325.118 17.826  331.042 17.535  -5.923981      25.00445 
1 1 1 -11 4  6  o 246.971  12.870  536.856    55.308  518.206    67.619  574.554    96.138  242.077 16.089  253.624 21.925  -11.54794      27.19473 
1 1 1 -11 4  7  f 366.059  18.713  1186.29    119.209 1169.92    168.561 1202.66    168.613 360.860 26.946  366.044 26.562  -5.184357      37.83716 
1 1 1 -11 4  8  o 113.688  15.300  115.697    29.601  113.168    41.399  118.343    42.340  111.087 22.121  113.652 22.132  -2.565231      31.29155 
1 1 1 -11 4  9  o 136.373  14.954  165.454    35.023  110.762    49.361  220.903    49.702  109.298 26.205  157.162 18.464  -47.86456      32.05598 
1 1 1 -11 4  10 o 437.172  20.689  1691.50    157.927 1710.84    223.288 1672.14    223.397 435.700 29.525  430.553 29.901  5.146820       42.02140 
1 1 1 -11 4  11 o 470.952  31.378  2005.24    256.546 2005.24    256.546 0.0000     0.0000  470.952 31.378  ?       ?       0.000000       31.37757 
1 1 1 -11 4  12 o 435.918  20.325  1680.82    154.702 1470.59    218.685 1891.44    218.879 403.068 31.319  459.226 27.422  -56.15820      41.62724 
1 1 1 -11 4  13 o 296.605  16.743  777.293    86.357  708.089    122.024 846.732    122.231 280.928 25.142  308.065 22.887  -27.13684      33.99926 
1 1 1 -11 4  14 o 337.117  17.904  1005.02    105.009 898.565    148.528 1111.41    148.483 316.047 27.179  352.728 24.256  -36.68127      36.42906 
1 1 1 -11 4  15 o 132.726  11.729  155.657    26.903  109.495    46.163  179.398    33.106  108.828 24.841  142.311 13.484  -33.48358      28.26455 
1 1 1 -11 4  16 o 518.141  18.604  2369.65    168.308 2173.30    291.330 2468.02    206.202 488.773 34.354  527.500 22.388  -38.72717      41.00528 
1 1 1 -11 4  17 o 282.158  13.267  698.958    65.361  603.174    112.975 747.149    80.134  259.059 25.299  290.959 15.833  -31.89941      29.84464 
1 1 1 -11 4  18 o 529.953  18.762  2479.60    173.608 2101.98    300.440 2668.90    212.717 479.546 36.147  548.583 22.207  -69.03717      42.42348 
1 1 1 -11 4  19 o 149.580  11.776  197.409    30.509  195.127    37.473  201.896    52.543  148.277 14.666  149.695 20.652  -1.417557      25.33003 
1 1 1 -11 4  20 o 265.108  13.044  616.989    60.380  692.918    74.054  466.414    104.286 280.272 15.189  227.030 26.826  53.24110       30.82763 
1 1 1 -11 4  21 o 254.467  12.676  568.309    56.321  640.750    69.202  426.192    96.929  269.553 14.759  217.079 26.095  52.47435       29.98011 
1 1 1 -11 4  22 o 595.630  15.986  3123.66    166.261 3445.45    192.131 2164.28    331.751 624.997 17.606  484.066 39.597  140.9313       43.33466 
1 1 1 -11 4  23 o 510.928  14.482  2295.18    129.195 2518.57    149.365 1631.53    257.444 534.802 15.995  422.253 35.240  112.5494       38.70018 
1 1 1 -11 4  24 f 350.268  12.082  1076.47    73.895  1162.82    85.532  822.348    146.737 363.825 13.464  301.619 28.189  62.20627       31.23963 
1 1 1 -11 4  25 o 195.787  12.663  337.914    43.058  337.914    43.058  0.0000     0.0000  195.787 12.663  ?       ?       0.000000       12.66317 
1 1 1 -11 4  26 o 258.914  11.160  587.855    50.453  653.436    72.448  526.102    70.302  272.023 15.315  243.733 16.618  28.28983       22.59940 
1 1 1 -11 4  27 o 300.014  13.180  790.797    69.042  870.579    85.449  640.763    117.179 314.393 15.566  266.642 25.479  47.75134       29.85731 
1 1 1 -11 4  28 o 593.430  17.153  3108.41    177.734 3386.55    251.880 2832.58    250.832 616.521 23.398  562.769 25.526  53.75146       34.62762 
1 1 1 -11 4  29 o 196.470  10.895  339.572    37.230  367.019    54.287  315.199    51.156  203.540 15.389  188.481 15.687  15.05850       21.97457 
1 1 1 -11 4  30 o 125.845  10.659  139.872    23.202  159.556    33.977  122.673    31.760  133.810 14.790  116.893 15.979  16.91699       21.77301 
1 1 1 -11 4  31 o 493.285  15.694  2146.11    135.171 2204.92    191.525 2087.75    190.798 497.549 22.046  483.913 22.581  13.63599       31.55828 
1 1 1 -11 4  32 o 203.289  9.8761  362.319    35.056  397.505    50.491  329.572    48.710  212.088 13.708  192.875 14.571  19.21304       20.00564 
1 1 1 -11 4  33 o 103.546  10.668  95.069     19.011  86.144     27.886  102.817    25.985  97.331  17.029  107.116 14.246  -9.785477      22.20255 
1 1 1 -11 4  34 o 278.916  11.055  683.115    53.838  717.993    76.726  649.284    75.565  284.751 15.490  270.597 16.065  14.15411       22.31651 
1 1 1 -11 4  35 o 114.301  9.3775  115.323    18.550  149.914    27.716  87.251     24.968  129.968 12.362  98.326  15.019  31.64223       19.45232 
1 1 1 -11 4  36 o 244.715  11.352  526.425    48.506  521.572    69.146  531.127    68.063  242.141 16.452  244.473 16.034  -2.331970      22.97273 
1 1 1 -11 4  37 o 103.917  11.915  96.249     21.229  102.244    38.227  93.576     25.527  105.029 21.567  101.881 14.781  3.148621       26.14614 
1 1 1 -11 4  38 o 170.051  9.7591  254.743    28.856  263.115    57.758  251.958    33.311  170.532 19.764  168.848 11.365  1.684692       22.79841 
1 1 1 -11 4  39 o 357.354  12.254  1125.75    76.462  1245.89    153.002 1085.76    88.275  370.347 23.786  350.295 14.432  20.05188       27.82246 
1 1 1 -11 4  40 o 144.361  9.9988  184.059    25.048  183.535    49.614  184.238    29.018  141.559 20.683  144.141 11.629  -2.581375      23.72785 
1 1 1 -11 4  41 o 196.568  10.051  340.729    34.382  360.464    68.509  334.085    39.750  199.368 19.948  194.277 11.774  5.091263       23.16316 
1 1 1 -11 4  42 o 115.340  9.8790  117.880    19.703  76.634     38.895  132.119    22.853  90.050  24.212  121.980 10.843  -31.93018      26.52935 
1 1 1 -11 4  43 o 116.148  10.137  119.683    20.351  115.252    40.765  121.154    23.488  110.933 21.823  116.562 11.698  -5.628738      24.76101 
1 1 1 -11 4  44 o 43.210   13.498  16.458     11.301  0.0000     0.0000  16.458     11.301  ?       ?       43.210  13.498  0.000000       13.49805 
1 1 1 -11 4  45 o 87.915   12.446  69.784     18.572  0.0000     0.0000  69.784     18.572  ?       ?       87.915  12.446  0.000000       12.44640 
1 1 1 -11 4  46 o 35.119   12.101  9.9578     8.9957  0.0000     0.0000  9.9578     8.9957  ?       ?       35.119  12.101  0.000000       12.10140 
1 1 1 -11 4  47 o 157.536  14.000  223.024    38.108  0.0000     0.0000  223.024    38.108  ?       ?       157.536 14.000  0.000000       13.99989 
1 1 1 -11 4  48 o 44.280   13.437  17.616     11.297  5.7492     18.881  24.233     14.099  40.631  16.660  51.423  14.864  -10.79158      22.32694 
1 1 1 -11 4  49 o 110.772  14.774  111.875    27.864  98.372     37.876  127.802    41.136  101.312 22.038  116.225 21.045  -14.91343      30.47284 
1 1 1 -11 4  50 f 37.993   16.090  1.6950     18.461  1.6950     18.461  0.0000     0.0000  37.993  16.090  ?       ?       0.000000       16.09045 
1 1 1 -11 4  51 o 89.522   21.930  77.624     34.009  77.624     34.009  0.0000     0.0000  89.522  21.930  ?       ?       0.000000       21.93020 
1 1 1 -11 4  52 o 178.491  15.062  289.811    46.505  321.854    65.838  257.904    65.697  184.965 20.743  163.612 23.686  21.35294       31.48496 
1 1 1 -11 4  53 o 172.364  15.006  270.878    44.711  288.659    63.356  253.238    63.106  174.411 21.243  162.198 22.921  12.21301       31.25109 
1 1 1 -11 4  54 o 83.798   16.483  66.198     23.258  67.749     32.820  64.634     32.964  83.045  22.205  81.114  22.491  1.931786       31.60539 
1 1 1 -11 4  55 o 31.614   13.626  -0.5803    13.663  0.0000     0.0000  -0.5803    13.663  ?       ?       31.614  13.626  0.000000       13.62586 
1 1 1 -11 4  56 o 66.430   12.953  41.053     14.484  41.276     19.966  40.805     21.044  65.660  17.207  65.230  17.924  0.4301071      24.84653 
1 1 1 -11 4  57 o 134.874  10.364  163.263    24.221  141.167    33.700  186.872    34.835  123.017 16.074  142.731 14.165  -19.71358      21.42456 
1 1 1 -11 4  58 o 82.819   11.366  62.621     16.003  57.434     22.126  68.312     23.175  77.399  16.850  84.816  16.240  -7.417580      23.40188 
1 1 1 -11 4  59 f 55.001   13.191  28.519     12.505  19.963     16.385  40.454     19.353  47.771  16.337  64.760  16.926  -16.98888      23.52451 
1 1 1 -11 4  60 o 36.532   13.042  10.647     10.511  9.1912     13.396  12.980     16.956  37.542  14.466  42.860  16.333  -5.318409      21.81791 
1 1 1 -11 4  61 o 133.228  10.567  160.384    24.381  168.993    34.203  151.492    34.763  134.667 14.790  126.723 16.072  7.944740       21.84137 
1 1 1 -11 4  62 o 47.097   15.025  20.453     13.935  27.175     16.594  4.3684     25.667  53.457  16.299  44.212  18.857  9.244499       24.92484 
1 1 1 -11 5  1  o 583.503  17.744  3009.92    180.780 2826.18    255.634 3193.74    255.688 561.377 26.080  597.697 24.500  -36.31982      35.78269 
1 1 1 -11 5  2  o 215.548  10.361  407.341    38.997  409.624    55.252  405.076    55.048  215.186 14.795  213.978 14.825  1.207672       20.94469 
1 1 1 -11 5  3  o 36.324   13.083  9.6936     10.599  5.0138     15.495  13.809     14.530  37.444  15.192  42.898  15.332  -5.453476      21.58371 
1 1 1 -11 5  4  o 199.395  10.502  349.536    36.435  359.870    51.635  339.287    51.421  201.656 14.767  195.699 15.167  5.957077       21.16842 
1 1 1 -11 5  5  o 109.410  10.713  105.956    20.204  119.254    28.133  91.795     29.033  115.577 14.242  100.622 17.139  14.95515       22.28431 
1 1 1 -11 5  6  o 176.199  12.075  273.793    36.924  236.314    45.166  349.314    64.114  162.961 16.083  197.861 18.783  -34.89948      24.72792 
1 1 1 -11 5  7  o 127.448  11.839  143.759    26.044  118.246    31.388  200.137    46.660  114.736 16.112  149.408 18.266  -34.67162      24.35656 
1 1 1 -11 5  8  o 207.265  12.086  378.344    43.549  305.153    53.133  528.145    76.013  185.291 16.599  243.857 17.979  -58.56592      24.46954 
1 1 1 -11 5  9  o 278.037  13.250  679.278    64.324  643.434    78.628  751.804    111.846 269.572 16.788  290.000 22.258  -20.42856      27.87927 
1 1 1 -11 5  10 o 427.904  16.459  1614.49    122.970 1495.75    212.975 1673.87    150.613 406.121 30.251  434.730 19.842  -28.60889      36.17739 
1 1 1 -11 5  11 o 196.051  10.748  337.981    36.651  282.557    51.900  393.116    51.764  178.200 16.881  210.964 14.134  -32.76385      22.01719 
1 1 1 -11 5  12 o 154.940  10.508  211.390    28.260  206.855    39.877  215.965    40.054  152.551 15.172  155.956 14.890  -3.404266      21.25791 
1 1 1 -11 5  13 o 515.221  18.581  2346.81    167.156 2263.84    289.391 2388.35    204.770 498.119 33.467  518.199 22.631  -20.08044      40.40066 
1 1 1 -11 5  14 o 406.936  16.221  1459.67    115.257 1486.86    199.675 1446.08    141.144 405.842 28.356  404.032 20.007  1.809601       34.70349 
1 1 1 -11 5  15 o 142.656  12.008  179.856    29.632  125.249    49.460  210.432    37.010  116.302 25.093  154.092 13.905  -37.79033      28.68798 
1 1 1 -11 5  16 o 198.370  12.303  346.772    42.403  319.181    52.051  401.207    73.112  189.683 15.862  211.914 19.995  -22.23149      25.52256 
1 1 1 -11 5  17 o 105.912  12.506  99.846     22.680  86.351     27.803  126.690    39.213  97.574  16.933  118.094 19.712  -20.52034      25.98592 
1 1 1 -11 5  18 o 326.081  12.421  933.650    70.720  956.815    81.714  864.515    141.166 329.812 14.189  309.645 26.361  20.16702       29.93698 
1 1 1 -11 5  19 o 555.158  16.809  2719.44    162.936 2743.91    188.233 2646.32    325.402 556.688 19.365  537.376 34.868  19.31274       39.88506 
1 1 1 -11 5  20 o 515.160  18.834  2348.38    169.417 2386.34    207.647 2272.78    293.005 517.621 22.975  498.412 33.869  19.20889       40.92654 
1 1 1 -11 5  21 o 195.511  12.478  337.064    42.375  363.733    52.314  286.175    72.264  202.715 14.884  177.609 23.909  25.10631       28.16351 
1 1 1 -11 5  22 o 322.628  14.031  915.775    79.043  1043.47    97.223  666.803    135.755 343.951 16.189  270.451 29.212  73.49951       33.39761 
1 1 1 -11 5  23 o 172.756  13.909  264.230    41.600  167.329    51.843  439.436    69.711  135.316 22.749  222.186 18.127  -86.87021      29.08814 
1 1 1 -11 5  24 o 469.295  18.346  1949.21    150.334 1720.14    184.487 2401.95    259.359 438.040 24.215  515.040 28.958  -77.00046      37.74781 
1 1 1 -11 5  25 o ?        ?       -86.1947   8.0435  -86.1947   8.0435  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 -11 5  26 o 119.410  13.033  126.850    26.733  133.624    33.802  115.535    43.685  121.983 16.276  111.798 23.141  10.18563       28.29169 
1 1 1 -11 5  27 o 338.595  11.990  1007.28    70.886  1099.71    101.108 917.925    99.409  352.817 16.413  321.544 17.775  31.27319       24.19353 
1 1 1 -11 5  28 o 321.784  12.022  909.971    67.547  972.371    96.298  849.531    94.773  331.216 16.705  309.267 17.623  21.94974       24.28252 
1 1 1 -11 5  29 o 321.769  11.832  909.906    66.476  1021.83    94.674  801.059    93.364  340.070 15.944  300.128 17.897  39.94147       23.96930 
1 1 1 -11 5  30 o 125.610  9.3800  139.105    20.424  168.957    30.810  115.702    27.279  137.954 12.942  113.734 14.034  24.21935       19.09068 
1 1 1 -11 5  31 o 175.817  9.3647  271.849    28.645  333.759    41.861  217.329    39.283  194.370 12.399  156.269 14.565  38.10048       19.12752 
1 1 1 -11 5  32 o 302.314  11.576  803.701    61.106  859.891    87.015  749.029    85.831  311.270 16.065  290.165 17.015  21.10480       23.40088 
1 1 1 -11 5  33 o 197.285  10.114  342.668    34.723  389.506    50.040  299.171    48.223  209.656 13.746  183.301 15.204  26.35515       20.49652 
1 1 1 -11 5  34 o 201.163  15.829  360.753    55.150  320.033    79.690  398.180    76.400  186.458 25.116  209.767 21.148  -23.30829      32.83356 
1 1 1 -11 5  35 o 164.083  11.712  238.292    33.336  258.446    60.256  229.403    40.018  168.521 20.928  160.405 14.443  8.116440       25.42815 
1 1 1 -11 5  36 o 286.844  16.907  734.713    84.307  0.0000     0.0000  734.713    84.307  ?       ?       286.844 16.907  0.000000       16.90741 
1 1 1 -11 5  37 f 91.722   12.386  75.559     19.329  0.0000     0.0000  75.559     19.329  ?       ?       91.722  12.386  0.000000       12.38552 
1 1 1 -11 5  38 o 418.194  15.515  1555.12    113.291 0.0000     0.0000  1555.12    113.291 ?       ?       418.194 15.515  0.000000       15.51507 
1 1 1 -11 5  39 o 333.712  13.532  986.866    78.851  0.0000     0.0000  986.866    78.851  ?       ?       333.712 13.532  0.000000       13.53230 
1 1 1 -11 5  40 o 184.045  13.551  302.010    43.240  0.0000     0.0000  302.010    43.240  ?       ?       184.045 13.551  0.000000       13.55066 
1 1 1 -11 5  41 o 210.631  11.786  393.505    43.173  351.017    74.110  415.331    53.116  195.035 22.155  215.663 14.185  -20.62834      26.30704 
1 1 1 -11 5  42 o 98.848   12.883  88.085     21.707  95.465     37.509  84.370     26.617  100.409 22.002  95.768  16.514  4.641098       27.51038 
1 1 1 -11 5  43 o 326.677  13.962  950.889    79.638  773.895    137.608 1040.02    97.653  285.117 28.002  340.323 16.434  -55.20538      32.46841 
1 1 1 -11 5  44 o 267.555  13.130  637.119    61.340  631.904    106.164 639.732    75.154  260.100 23.634  266.314 16.240  -6.213867      28.67571 
1 1 1 -11 5  45 o 86.186   16.337  68.941     23.685  70.367     33.382  67.495     33.610  85.699  22.148  83.929  22.483  1.770065       31.55989 
1 1 1 -11 5  46 o 146.079  14.677  193.195    36.929  170.814    51.822  216.286    52.638  133.881 22.997  152.300 20.299  -18.41855      30.67448 
1 1 1 -11 5  47 o 85.058   16.667  67.600     23.869  52.425     32.991  84.268     34.576  74.473  23.030  93.608  21.594  -19.13536      31.57037 
1 1 1 -11 5  48 o 178.466  10.109  283.069    31.372  239.542    63.308  297.237    36.119  158.000 23.677  182.461 11.394  -24.46097      26.27576 
1 1 1 -11 5  49 o 175.719  11.783  276.536    35.944  230.926    62.057  299.561    44.093  154.693 23.733  182.003 13.982  -27.31094      27.54526 
1 1 1 -11 5  50 o 60.706   14.313  34.531     14.924  35.387     25.543  34.088     18.389  62.203  20.384  60.176  16.839  2.027519       26.43925 
1 1 1 -11 5  51 o 33.968   12.244  8.7847     9.2865  -6.0872    13.092  23.847     13.175  28.089  12.656  50.643  14.282  -22.55420      19.08270 
1 1 1 -11 5  52 o 35.936   12.173  10.850     9.0958  20.670     12.593  0.1415     13.151  47.410  14.142  31.450  13.458  15.95929       19.52219 
1 1 1 -11 5  53 o 104.148  10.064  97.423     18.073  105.285    24.833  88.570     26.351  107.132 13.580  97.181  16.093  9.950729       21.05705 
1 1 1 -11 5  54 o 53.311   12.742  26.629     11.700  40.131     16.065  11.380     17.073  65.210  14.486  42.085  16.299  23.12545       21.80567 
1 1 1 -11 5  55 o 100.671  12.177  92.525     20.969  91.057     26.204  95.139     34.967  98.457  15.775  98.233  21.021  0.2240219      26.28227 
1 1 1 -11 5  56 o 154.489  14.183  219.542    37.831  263.031    54.611  179.417    52.456  165.865 19.212  134.002 23.263  31.86220       30.17097 
1 1 1 -11 5  57 o 119.130  14.765  132.066    30.054  139.392    43.749  125.519    41.358  118.296 21.990  112.170 21.902  6.126335       31.03663 
1 1 1 -11 5  58 o 81.264   15.792  63.057     21.600  56.460     31.693  68.779     29.516  74.731  22.468  82.911  20.503  -8.180107      30.41661 
1 1 1 -11 5  59 o 118.833  15.397  132.886    31.196  117.640    45.461  146.454    42.887  105.779 25.008  121.324 21.005  -15.54512      32.65933 
1 1 1 -11 5  60 o 151.995  10.001  208.285    26.393  205.832    37.096  210.800    37.559  148.568 14.484  150.365 14.485  -1.796387      20.48438 
1 1 1 -11 6  1  o 372.372  18.918  1234.40    122.602 1263.38    174.105 1205.89    172.673 373.098 26.906  364.240 27.350  8.858002       38.36605 
1 1 1 -11 6  2  o 398.934  15.745  1405.77    109.673 1465.53    134.653 1288.01    189.029 406.255 18.983  375.666 29.044  30.58871       34.69685 
1 1 1 -11 6  3  o 165.741  12.062  242.711    34.667  276.510    43.214  181.682    58.067  176.593 14.133  140.399 24.582  36.19354       28.35570 
1 1 1 -11 6  4  o 381.024  13.257  1277.79    88.201  1264.94    124.791 1290.61    124.678 377.042 19.017  381.402 18.722  -4.359833      26.68582 
1 1 1 -11 6  5  o 152.883  10.663  206.102    28.287  176.404    40.800  233.590    39.252  140.234 17.011  162.260 13.991  -22.02637      22.02534 
1 1 1 -11 6  6  o 182.530  12.830  294.460    40.632  293.739    49.542  295.941    71.019  181.742 15.768  180.593 23.048  1.148712       27.92528 
1 1 1 -11 6  7  o 393.674  15.780  1368.25    108.469 1331.69    132.704 1441.82    188.278 386.700 19.719  398.946 27.191  -12.24615      33.58853 
1 1 1 -11 6  8  o 431.495  16.806  1646.11    126.622 1601.49    154.938 1735.85    219.719 424.149 20.921  436.894 28.967  -12.74512      35.73159 
1 1 1 -11 6  9  o 438.413  14.372  1693.53    110.018 1578.16    155.587 1808.90    155.592 420.431 21.263  451.270 19.746  -30.83911      29.01800 
1 1 1 -11 6  10 o 407.905  13.857  1465.06    98.697  1341.60    139.673 1588.18    139.483 387.798 20.702  423.164 18.878  -35.36673      28.01700 
1 1 1 -11 6  11 o 434.481  14.460  1663.42    109.700 1594.62    155.200 1732.10    155.079 423.240 21.001  441.458 20.119  -18.21881      29.08284 
1 1 1 -11 6  12 f 250.280  11.126  549.889    48.622  506.503    68.685  593.468    68.838  238.855 16.571  258.940 15.293  -20.08513      22.54977 
1 1 1 -11 6  13 o 516.172  16.105  2353.00    145.150 2154.74    205.165 2551.67    205.381 490.558 23.952  534.883 21.991  -44.32446      32.51633 
1 1 1 -11 6  14 o 295.167  11.432  765.071    58.918  692.840    83.388  837.077    83.257  279.361 17.178  307.604 15.552  -28.24255      23.17234 
1 1 1 -11 6  15 o ?        ?       -191.1027  6.3934  -223.5708  8.1447  -138.9783  10.320  ?       ?       ?       ?       0.000000       ?        
1 1 1 -11 6  16 o 55.573   22.448  12.653     33.672  12.653     33.672  0.0000     0.0000  55.573  22.448  ?       ?       0.000000       22.44774 
1 1 1 -11 6  17 o 305.575  18.252  830.442    96.938  688.784    138.237 967.497    135.972 274.164 29.332  327.827 23.919  -53.66302      37.84843 
1 1 1 -11 6  18 o 455.824  31.025  1902.31    245.462 0.0000     0.0000  1902.31    245.462 ?       ?       455.824 31.025  0.000000       31.02528 
1 1 1 -11 6  19 o 268.247  23.387  648.815    108.444 0.0000     0.0000  648.815    108.444 ?       ?       268.247 23.387  0.000000       23.38686 
1 1 1 -11 6  20 o 196.695  21.431  348.958    72.413  0.0000     0.0000  348.958    72.413  ?       ?       196.695 21.431  0.000000       21.43126 
1 1 1 -11 6  21 o ?        ?       -41.3858   4.1698  -171.9422  25.767  -37.8749   4.2255  ?       ?       ?       ?       0.000000       ?        
1 1 1 -11 6  22 o 75.774   15.421  52.515     19.710  32.357     26.004  79.730     30.215  61.801  20.582  93.068  19.229  -31.26677      28.16712 
1 1 1 -11 6  23 o 210.809  15.028  394.359    54.953  418.967    80.063  372.439    75.563  215.529 21.564  203.068 21.645  12.46098       30.55321 
1 1 1 -11 6  24 o 352.688  16.998  1102.36    104.674 1254.71    149.446 955.651    146.657 373.304 23.040  324.179 26.131  49.12555       34.83807 
1 1 1 -11 6  25 o 152.383  11.760  205.420    31.047  216.792    38.730  184.973    51.933  156.077 14.373  142.303 21.578  13.77338       25.92668 
1 1 1 -11 6  26 o 193.245  15.103  332.084    50.556  340.595    73.386  324.397    69.746  193.758 22.086  189.229 21.490  4.528870       30.81603 
1 1 1 -11 6  27 o 152.276  10.379  204.627    27.431  275.975    51.563  176.463    32.396  175.544 17.037  140.839 13.332  34.70525       21.63347 
1 1 1 -11 6  28 o 333.636  13.065  981.793    76.113  1204.05    133.766 875.385    92.557  365.974 21.021  313.510 16.971  52.46417       27.01714 
1 1 1 -11 6  29 o 150.349  10.562  199.695    27.551  292.587    51.915  163.279    32.505  180.772 16.634  135.233 13.967  45.53835       21.72044 
1 1 1 -11 6  30 o 349.731  14.522  1082.70    88.677  1117.95    108.982 1013.64    152.548 354.231 17.620  332.203 26.520  22.02780       31.83992 
1 1 1 -11 6  31 o 333.510  13.435  983.241    78.234  1083.10    96.251  788.826    134.300 349.215 15.785  292.471 26.589  56.74451       30.92166 
1 1 1 -11 6  32 o 190.407  15.593  324.173    51.387  324.173    51.387  0.0000     0.0000  190.407 15.593  ?       ?       0.000000       15.59297 
1 1 1 -11 6  33 o 259.341  16.214  601.276    73.053  601.276    73.053  0.0000     0.0000  259.341 16.214  ?       ?       0.000000       16.21404 
1 1 1 -11 6  34 f 145.555  15.723  190.729    39.326  190.729    39.326  0.0000     0.0000  145.555 15.723  ?       ?       0.000000       15.72339 
1 1 1 -11 6  35 o 309.605  17.899  862.506    96.348  862.506    96.348  0.0000     0.0000  309.605 17.899  ?       ?       0.000000       17.89895 
1 1 1 -11 6  36 o 255.602  23.492  603.231    103.673 603.231    103.673 0.0000     0.0000  255.602 23.492  ?       ?       0.000000       23.49241 
1 1 1 -11 6  37 o 316.749  16.951  902.478    93.408  771.283    131.061 1037.91    133.162 286.739 26.476  335.803 22.847  -49.06351      34.97085 
1 1 1 -11 6  38 o 316.839  13.871  893.550    76.737  830.687    133.004 924.917    93.951  297.628 25.850  320.493 16.848  -22.86505      30.85584 
1 1 1 -11 6  39 o 115.505  21.646  125.740    42.052  125.740    42.052  0.0000     0.0000  115.505 21.646  ?       ?       0.000000       21.64623 
1 1 1 -11 6  40 o 107.265  16.069  105.468    29.170  92.367     38.846  122.406    44.169  98.105  23.066  113.219 23.125  -15.11332      32.66145 
1 1 1 -11 6  41 o 117.720  15.629  126.524    31.331  131.387    42.490  120.730    46.382  117.886 21.432  111.729 24.454  6.157181       32.51662 
1 1 1 -11 6  42 o 133.502  9.9610  158.422    23.052  184.366    46.483  149.960    26.547  140.823 19.421  129.376 11.884  11.44753       22.76848 
1 1 1 -11 6  43 o 324.487  11.303  935.277    64.039  964.321    128.522 925.684    73.861  320.189 23.144  321.848 13.143  -1.659485      26.61587 
1 1 1 -11 6  44 f 67.785   13.436  42.510     15.341  35.778     27.288  45.622     18.550  63.148  21.086  69.773  15.616  -6.624851      26.23870 
1 1 1 -11 6  45 o 101.049  10.007  91.358     17.423  93.935     35.443  90.536     20.008  98.739  21.192  100.161 11.659  -1.422180      24.18714 
1 1 1 -11 6  46 o 95.572   11.574  82.588     18.920  108.363    34.101  71.124     22.742  106.990 18.948  87.414  15.466  19.57539       24.45822 
1 1 1 -11 6  47 f 139.261  9.3803  172.629    22.676  166.286    46.672  174.589    25.944  131.826 20.980  139.645 10.722  -7.819519      23.56063 
1 1 1 -11 6  48 o 113.328  10.692  115.419    20.908  178.934    38.829  89.482     24.812  139.011 16.307  98.281  14.928  40.72958       22.10835 
1 1 1 -11 6  49 o 72.029   12.004  47.694     14.566  58.719     29.009  43.977     16.844  77.418  20.950  68.394  14.552  9.024193       25.50771 
1 1 1 -11 6  50 o 39.277   16.633  2.6673     19.727  2.6673     19.727  0.0000     0.0000  39.277  16.633  ?       ?       0.000000       16.63350 
1 1 1 -11 6  51 o 48.939   18.992  16.195     23.218  16.195     23.218  0.0000     0.0000  48.939  18.992  ?       ?       0.000000       18.99155 
1 1 1 -11 6  52 o 32.248   12.997  4.7071     11.260  4.7071     11.260  0.0000     0.0000  32.248  12.997  ?       ?       0.000000       12.99686 
1 1 1 -11 6  53 o 177.102  10.352  281.663    31.871  279.724    44.576  283.690    45.587  173.997 14.813  175.075 15.059  -1.077713      21.12366 
1 1 1 -11 6  54 o 186.214  9.9867  311.060    32.353  278.658    45.200  345.098    46.328  173.271 15.091  193.874 13.775  -20.60298      20.43243 
1 1 1 -11 6  55 o 38.178   12.216  13.034     9.2074  8.7991     11.940  19.246     14.462  35.982  13.707  46.279  15.346  -10.29707      20.57646 
1 1 1 -11 6  56 o 41.543   12.939  15.782     10.393  13.858     14.192  18.007     15.263  41.601  15.115  45.489  15.758  -3.888309      21.83515 
1 1 1 -11 6  57 o 168.442  10.297  256.194    30.138  249.557    42.293  263.040    42.958  163.259 15.004  167.778 14.816  -4.518921      21.08643 
1 1 1 -11 6  58 o 42.419   13.375  16.537     11.068  3.2087     15.188  31.633     16.164  34.966  14.690  57.099  15.716  -22.13225      21.51256 
1 1 1 -11 7  1  o 271.506  10.522  647.977    49.881  791.823    71.464  511.311    69.657  299.433 13.669  239.374 16.772  60.05959       21.63612 
1 1 1 -11 7  2  o 264.836  10.192  616.217    47.131  711.879    67.566  525.559    65.776  283.947 13.628  243.083 15.579  40.86444       20.69849 
1 1 1 -11 7  3  o ?        ?       -172.3047  5.7798  -137.4504  10.609  -187.0147  6.8923  ?       ?       ?       ?       0.000000       ?        
1 1 1 -11 7  4  o 19.625   9.7238  -29.4197   12.518  -3.8726    31.561  -34.1886   13.636  47.351  20.558  20.020  9.9580  27.33098       22.84304 
1 1 1 -11 7  5  o 415.664  13.017  1523.52    94.476  1537.36    133.753 1509.75    133.466 415.478 18.437  411.673 18.568  3.805603       26.16645 
1 1 1 -11 7  6  o 273.443  13.659  659.932    65.214  628.716    79.461  724.344    114.142 265.521 17.232  282.689 23.333  -17.16840      29.00671 
1 1 1 -11 7  7  o 180.929  13.144  290.146    41.240  253.626    49.677  371.115    73.970  168.177 17.157  202.509 21.235  -34.33133      27.30034 
1 1 1 -11 7  8  o 290.931  13.828  747.164    70.244  606.553    85.683  1035.35    122.666 260.219 18.989  339.540 20.791  -79.32117      28.15725 
1 1 1 -11 7  9  f 267.987  12.114  632.328    56.684  535.776    80.913  725.382    79.433  244.453 19.108  285.710 15.987  -41.25670      24.91398 
1 1 1 -11 7  10 o 354.642  12.744  1108.37    78.914  1020.92    111.615 1195.78    111.587 337.945 18.992  366.877 17.419  -28.93155      25.77085 
1 1 1 -11 7  11 o 451.474  14.968  1802.66    117.990 1575.01    166.804 2030.62    166.923 417.824 22.952  476.743 20.052  -58.91904      30.47764 
1 1 1 -11 7  12 o 138.992  11.319  171.019    27.232  148.798    38.733  192.741    38.295  128.226 17.778  146.856 15.152  -18.63004      23.35925 
1 1 1 -11 7  13 o 197.944  10.877  345.461    37.449  286.977    52.859  404.401    53.064  178.998 17.121  213.482 14.319  -34.48404      22.31965 
1 1 1 -11 7  14 o 224.793  12.895  446.920    50.404  422.190    62.155  494.421    86.141  217.572 16.483  233.962 21.320  -16.39043      26.94918 
1 1 1 -11 7  15 o 320.006  12.394  902.225    69.253  894.141    80.157  926.024    137.529 318.055 14.434  318.976 24.890  -0.9212036     28.77221 
1 1 1 -11 7  16 o 247.642  11.376  539.585    49.189  527.315    57.090  574.938    96.905  244.077 13.448  251.991 22.253  -7.914597      26.00055 
1 1 1 -11 7  17 o 308.953  13.989  843.311    75.463  846.911    92.956  836.353    129.238 308.173 17.346  303.045 24.638  5.128693       30.13105 
1 1 1 -11 7  18 o 282.619  13.644  705.401    67.330  712.134    82.927  692.377    115.337 282.632 16.881  275.693 24.205  6.939178       29.51006 
1 1 1 -11 7  19 o 373.584  15.193  1236.28    99.107  1275.04    121.754 1160.16    170.618 378.108 18.442  355.059 27.741  23.04910       33.31176 
1 1 1 -11 7  20 o 212.064  11.159  396.850    41.173  459.681    51.355  283.796    68.888  227.869 12.961  175.988 22.965  51.88132       26.37033 
1 1 1 -11 7  21 o 374.730  12.480  1238.65    81.656  1284.45    94.503  1103.73    162.205 381.018 14.205  346.335 27.037  34.68237       30.54160 
1 1 1 -11 7  22 o 440.876  14.191  1720.34    109.243 1737.62    126.323 1669.09    217.555 442.094 16.365  423.877 29.580  18.21695       33.80498 
1 1 1 -11 7  23 o 185.406  14.479  306.319    46.501  315.462    66.187  297.408    65.345  186.247 20.703  180.635 21.117  5.612366       29.57220 
1 1 1 -11 7  24 o 28.264   11.802  1.3624     9.7140  0.0000     0.0000  1.3624     9.7140  ?       ?       28.264  11.802  0.000000       11.80214 
1 1 1 -11 7  25 o 192.679  14.625  331.171    48.835  336.966    69.402  325.487    68.728  192.238 21.018  188.827 21.212  3.411713       29.86208 
1 1 1 -11 7  26 o 180.799  15.703  292.990    49.082  292.990    49.082  0.0000     0.0000  180.799 15.703  ?       ?       0.000000       15.70348 
1 1 1 -11 7  27 o 259.297  16.577  602.507    74.660  602.507    74.660  0.0000     0.0000  259.297 16.577  ?       ?       0.000000       16.57705 
1 1 1 -11 7  28 o 325.111  18.392  952.270    103.975 952.270    103.975 0.0000     0.0000  325.111 18.392  ?       ?       0.000000       18.39156 
1 1 1 -11 7  29 o 332.858  18.038  998.033    104.446 998.033    104.446 0.0000     0.0000  332.858 18.038  ?       ?       0.000000       18.03815 
1 1 1 -11 7  30 o 402.250  20.393  1470.82    142.764 1470.82    142.764 0.0000     0.0000  402.250 20.393  ?       ?       0.000000       20.39305 
1 1 1 -11 7  31 o 161.445  15.558  234.933    43.315  234.933    43.315  0.0000     0.0000  161.445 15.558  ?       ?       0.000000       15.55825 
1 1 1 -11 7  32 o 210.765  15.321  399.105    55.997  399.105    55.997  0.0000     0.0000  210.765 15.321  ?       ?       0.000000       15.32087 
1 1 1 -11 7  33 o 320.990  18.127  933.990    101.183 933.990    101.183 0.0000     0.0000  320.990 18.127  ?       ?       0.000000       18.12735 
1 1 1 -11 7  34 o 214.212  16.390  414.936    60.838  414.936    60.838  0.0000     0.0000  214.212 16.390  ?       ?       0.000000       16.38991 
1 1 1 -11 7  35 o 135.281  15.317  166.117    35.543  166.117    35.543  0.0000     0.0000  135.281 15.317  ?       ?       0.000000       15.31732 
1 1 1 -11 7  36 o 157.001  21.619  231.178    57.694  231.178    57.694  0.0000     0.0000  157.001 21.619  ?       ?       0.000000       21.61910 
1 1 1 -11 7  37 o 173.739  15.054  273.214    45.217  243.708    62.693  305.205    65.280  160.278 23.066  180.762 21.079  -20.48424      31.24675 
1 1 1 -11 7  38 o 189.833  15.118  326.418    49.696  301.005    68.927  353.928    71.716  178.340 22.645  194.261 21.504  -15.92120      31.22866 
1 1 1 -11 7  39 o 40.766   16.633  6.5317     18.705  6.5317     18.705  0.0000     0.0000  40.766  16.633  ?       ?       0.000000       16.63327 
1 1 1 -11 7  40 o 161.581  21.787  247.932    59.901  247.932    59.901  0.0000     0.0000  161.581 21.787  ?       ?       0.000000       21.78687 
1 1 1 -11 7  41 o 31.943   14.344  -6.9299    16.653  -6.9299    16.653  0.0000     0.0000  31.943  14.344  ?       ?       0.000000       14.34404 
1 1 1 -11 7  42 o 86.028   22.664  72.803     34.520  72.803     34.520  0.0000     0.0000  86.028  22.664  ?       ?       0.000000       22.66410 
1 1 1 -11 7  43 o 129.449  22.435  162.921    48.871  162.921    48.871  0.0000     0.0000  129.449 22.435  ?       ?       0.000000       22.43476 
1 1 1 -11 7  44 o 137.827  22.392  184.955    52.037  184.955    52.037  0.0000     0.0000  137.827 22.392  ?       ?       0.000000       22.39168 
1 1 1 -11 7  45 o 61.444   21.083  34.227     27.290  34.227     27.290  0.0000     0.0000  61.444  21.083  ?       ?       0.000000       21.08313 
1 1 1 -11 7  46 o 75.225   17.885  54.653     23.148  53.185     31.244  56.440     34.464  73.487  22.356  75.491  23.570  -2.003311      32.48598 
1 1 1 -11 7  47 o 86.970   17.593  72.679     25.798  83.640     34.990  59.623     38.189  91.378  22.159  77.153  24.900  14.22442       33.33174 
1 1 1 -11 7  48 o 116.418  15.787  127.034    31.263  92.386     42.002  170.078    46.815  94.424  25.060  131.784 21.054  -37.36026      32.72981 
1 1 1 -11 7  49 o 96.939   16.714  89.596     27.268  86.774     36.585  93.123     40.901  92.338  22.822  94.802  24.524  -2.463661      33.50042 
1 1 1 -11 7  50 o 191.662  14.909  340.578    49.503  252.293    68.626  436.347    71.476  155.841 26.146  212.885 19.443  -57.04314      32.58308 
1 1 1 -11 7  51 o 195.736  10.604  345.438    36.105  265.402    72.698  371.644    41.598  158.276 27.291  202.268 11.830  -43.99216      29.74456 
1 1 1 -11 7  52 o 33.044   11.685  8.8015     8.4186  12.546     21.411  8.1167     9.1561  45.281  18.034  32.950  12.115  12.33092       21.72571 
1 1 1 -11 7  53 o 41.269   12.411  15.761     9.6700  8.9218     21.411  17.513     10.838  43.234  17.736  43.419  13.158  -0.1852760     22.08366 
1 1 1 -11 7  54 o 49.531   14.704  23.319     13.638  35.117     23.131  17.034     16.884  59.981  19.381  45.316  16.483  14.66556       25.44248 
1 1 1 -11 7  55 o 109.643  10.685  109.749    20.195  108.534    27.573  111.155    29.661  106.725 15.228  107.378 16.335  -0.6523361     22.33262 
1 1 1 -11 7  56 o 116.775  12.066  126.102    24.248  106.879    28.347  178.529    46.815  105.297 15.915  132.484 20.933  -27.18624      26.29575 
1 1 1 -11 8  1  o 290.111  12.011  744.088    60.843  736.618    86.064  751.552    86.026  286.255 17.300  289.242 17.110  -2.986908      24.33181 
1 1 1 -11 8  2  o 96.834   12.235  84.182     20.226  77.260     28.579  91.128     28.628  91.176  18.582  99.620  17.072  -8.444016      25.23433 
1 1 1 -11 8  3  o 22.230   10.435  -10.6930   10.276  -19.0356   14.944  -3.2117    14.152  25.572  12.175  31.072  13.622  -5.499535      18.27030 
1 1 1 -11 8  4  o 110.957  11.537  109.825    22.025  109.426    30.709  110.247    31.606  109.547 16.573  109.840 17.031  -0.2928848     23.76366 
1 1 1 -11 8  5  o 427.456  14.340  1622.76    107.028 1457.65    151.308 1788.09    151.413 400.228 21.733  445.529 19.464  -45.30118      29.17479 
1 1 1 -11 8  6  o 236.823  11.073  494.662    45.787  438.853    64.857  550.111    64.648  220.968 16.939  248.275 14.983  -27.30681      22.61447 
1 1 1 -11 8  7  o 57.768   15.824  30.689     16.431  18.039     18.945  69.107     33.014  48.620  17.493  85.662  21.967  -37.04248      28.08117 
1 1 1 -11 8  8  o 191.686  12.860  326.590    42.793  350.068    52.130  278.083    74.930  197.801 15.210  172.240 25.701  25.56122       29.86502 
1 1 1 -11 8  9  o 63.224   15.753  36.992     17.326  34.668     20.056  43.829     34.399  61.495  17.714  70.792  23.674  -9.296764      29.56797 
1 1 1 -11 8  10 o 179.010  10.774  283.459    33.520  243.069    47.135  324.787    47.679  164.182 16.673  190.715 14.424  -26.53362      22.04676 
1 1 1 -11 8  11 o 116.548  11.159  120.886    22.432  118.507    31.698  123.273    31.748  114.153 16.372  116.564 16.023  -2.410324      22.90774 
1 1 1 -11 8  12 o 173.971  10.776  267.816    32.574  238.219    45.959  297.691    46.174  162.576 16.415  182.464 14.616  -19.88843      21.97877 
1 1 1 -11 8  13 o 123.513  12.370  136.216    26.318  136.216    26.318  0.0000     0.0000  123.513 12.370  ?       ?       0.000000       12.36961 
1 1 1 -11 8  14 o 94.948   10.967  80.547     17.847  79.174     20.873  84.280     34.417  93.667  13.123  94.652  21.335  -0.9856720     25.04788 
1 1 1 -11 8  15 o 23.626   10.506  -3.2357    8.7036  2.9617     10.699  -15.3641   14.967  30.666  12.554  26.838  12.596  3.828613       17.78358 
1 1 1 -11 8  16 o 270.472  11.836  646.641    55.899  612.591    64.696  746.932    111.031 262.190 14.185  285.393 22.463  -23.20224      26.56644 
1 1 1 -11 8  17 o 228.741  12.737  464.887    50.671  449.632    62.554  493.995    86.411  223.780 16.117  232.156 21.563  -8.375748      26.92108 
1 1 1 -11 8  18 o 61.478   14.589  34.965     15.426  27.333     21.200  43.552     22.488  56.191  18.578  68.391  18.420  -12.19986      26.16122 
1 1 1 -11 8  19 o 186.349  12.151  308.662    39.322  311.723    49.057  303.164    65.763  186.346 15.210  181.469 21.151  4.876617       26.05235 
1 1 1 -11 8  20 o 114.315  9.9676  116.038    19.696  124.673    23.634  96.407     35.638  118.184 11.603  101.279 20.847  16.90411       23.85863 
1 1 1 -11 8  21 o 290.431  10.945  745.226    55.503  791.842    64.465  611.654    109.121 298.894 12.352  256.019 24.718  42.87418       27.63214 
1 1 1 -11 8  22 o 307.823  11.229  837.949    60.353  886.971    69.998  695.926    119.143 316.144 12.681  272.571 25.323  43.57300       28.32065 
1 1 1 -11 8  23 o 131.209  9.9822  152.732    22.698  155.009    26.812  146.975    42.639  131.784 11.776  125.728 20.100  6.056015       23.29563 
1 1 1 -11 8  24 o 300.151  12.935  800.911    67.789  800.911    67.789  0.0000     0.0000  300.151 12.935  ?       ?       0.000000       12.93468 
1 1 1 -11 8  25 o 96.696   16.621  86.324     27.051  86.324     27.051  0.0000     0.0000  96.696  16.621  ?       ?       0.000000       16.62093 
1 1 1 -11 8  26 o 38.321   15.650  5.3161     16.577  5.3161     16.577  0.0000     0.0000  38.321  15.650  ?       ?       0.000000       15.64988 
1 1 1 -11 8  27 o 121.053  21.792  138.716    44.367  138.716    44.367  0.0000     0.0000  121.053 21.792  ?       ?       0.000000       21.79194 
1 1 1 -11 8  28 o 246.448  23.476  570.979    99.800  570.979    99.800  0.0000     0.0000  246.448 23.476  ?       ?       0.000000       23.47603 
1 1 1 -11 8  29 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -11 8  30 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -11 8  31 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -11 8  32 o 128.703  21.892  158.189    47.435  158.189    47.435  0.0000     0.0000  128.703 21.892  ?       ?       0.000000       21.89204 
1 1 1 -11 8  33 f 179.959  22.063  307.347    67.874  307.347    67.874  0.0000     0.0000  179.959 22.063  ?       ?       0.000000       22.06274 
1 1 1 -11 8  34 o 38.454   16.125  3.1959     18.248  3.1959     18.248  0.0000     0.0000  38.454  16.125  ?       ?       0.000000       16.12544 
1 1 1 -11 8  35 o 267.866  24.750  695.150    114.451 695.150    114.451 0.0000     0.0000  267.866 24.750  ?       ?       0.000000       24.75001 
1 1 1 -11 8  36 f 101.310  22.889  101.099    39.534  101.099    39.534  0.0000     0.0000  101.310 22.889  ?       ?       0.000000       22.88875 
1 1 1 -11 8  37 o 168.817  14.780  260.574    43.127  210.570    59.350  316.515    62.775  146.340 24.064  182.928 19.979  -36.58846      31.27641 
1 1 1 -11 8  38 o 166.227  15.525  254.357    44.540  260.494    61.815  247.732    64.231  164.065 22.144  158.701 23.922  5.364120       32.59817 
1 1 1 -11 8  39 o 177.674  15.360  290.616    47.182  268.271    65.600  314.563    67.912  165.277 23.384  180.196 22.044  -14.91969      32.13657 
1 1 1 -11 8  40 o 19.903   9.7555  -22.2370   11.503  -30.2515   13.418  -0.0055    22.347  20.424  10.110  40.233  17.383  -19.80851      20.10965 
1 1 1 -11 8  41 o 193.112  15.739  345.396    52.607  345.399    73.313  345.393    75.532  187.380 22.883  186.632 23.714  0.7474976      32.95403 
1 1 1 -11 8  42 f 132.516  15.443  163.600    35.062  144.878    47.548  185.913    51.908  119.845 23.562  136.896 22.498  -17.05086      32.57784 
1 1 1 -11 8  43 o 246.970  15.594  565.869    66.898  441.800    92.854  699.782    96.467  207.421 26.224  268.857 20.709  -61.43552      33.41465 
1 1 1 -11 8  44 o 128.089  15.201  153.358    33.334  115.348    45.025  199.461    49.587  105.221 24.895  142.745 20.482  -37.52413      32.23798 
1 1 1 -11 8  45 o 156.347  15.132  228.058    40.794  197.237    56.316  262.083    59.171  138.823 24.108  162.841 21.323  -24.01768      32.18453 
1 1 1 -11 8  46 o 83.621   17.935  68.509     25.401  53.032     33.484  89.491     38.986  72.265  23.315  92.479  23.952  -20.21428      33.42601 
1 1 1 -11 8  47 o 128.680  15.747  156.613    34.643  148.636    47.206  165.923    50.998  120.104 23.351  126.568 23.953  -6.463997      33.45188 
1 1 1 -11 8  48 o 244.923  15.682  564.047    66.712  431.827    92.755  705.738    96.020  200.673 27.171  267.105 20.751  -66.43112      34.18833 
1 1 1 -11 8  49 o 133.899  15.840  170.529    36.315  135.760    50.212  208.662    52.585  111.624 26.210  143.530 21.656  -31.90544      33.99944 
1 1 1 -11 8  50 o 43.620   17.019  13.141     18.721  27.101     23.123  -13.4243   31.898  54.432  19.353  42.068  19.266  12.36378       27.30742 
1 1 1 -11 8  51 o 78.835   24.972  67.808     38.548  0.0000     0.0000  67.808     38.548  ?       ?       78.835  24.972  0.000000       24.97215 
1 1 1 -11 8  52 o 50.648   20.844  15.508     29.692  0.0000     0.0000  15.508     29.692  ?       ?       50.648  20.844  0.000000       20.84412 
1 1 1 -11 8  53 o 130.464  25.568  187.924    56.162  0.0000     0.0000  187.924    56.162  ?       ?       130.464 25.568  0.000000       25.56841 
1 1 1 -11 9  1  o 109.051  12.810  107.533    23.926  85.610     36.468  124.102    31.704  94.035  22.510  116.189 16.056  -22.15427      27.64968 
1 1 1 -11 9  2  o 114.414  12.341  117.929    24.265  79.334     37.664  145.312    31.725  90.282  23.621  126.401 14.646  -36.11859      27.79290 
1 1 1 -11 9  3  o 93.517   17.206  81.619     27.061  80.041     38.825  83.110     37.737  90.616  24.114  92.488  23.361  -1.871552      33.57456 
1 1 1 -11 9  4  o 152.124  15.377  210.330    40.284  202.644    58.088  217.452    55.915  145.534 23.673  151.871 21.703  -6.337250      32.11568 
1 1 1 -11 9  5  o 282.852  14.050  716.789    69.389  756.753    120.165 696.796    84.992  282.458 24.611  276.318 17.709  6.139893       30.31984 
1 1 1 -11 9  6  o 232.803  12.900  484.923    52.231  469.398    90.227  492.747    64.055  222.908 23.538  233.268 15.820  -10.36006      28.36023 
1 1 1 -11 9  7  o 230.130  13.277  474.523    53.125  472.073    91.955  475.750    65.086  223.279 23.961  228.908 16.393  -5.628952      29.03197 
1 1 1 -11 9  8  o 143.380  15.765  187.312    38.816  185.610    53.189  189.251    56.773  139.800 22.558  140.473 24.009  -0.6728973     32.94371 
1 1 1 -11 9  9  o 224.328  15.800  455.746    61.493  428.604    85.616  484.669    88.379  213.042 23.401  227.242 22.573  -14.20062      32.51383 
1 1 1 -11 9  10 o 180.009  15.401  293.645    47.942  291.887    66.148  295.590    69.582  176.235 21.974  176.724 23.103  -0.4891357     31.88378 
1 1 1 -11 9  11 f 30.044   11.794  4.7780     9.0359  18.775     12.903  -8.6924    12.658  45.916  14.436  26.415  12.112  19.50055       18.84382 
1 1 1 -11 9  12 o 215.400  12.409  414.655    46.472  411.890    57.195  420.028    79.722  213.330 15.460  211.786 21.873  1.544189       26.78518 
1 1 1 -11 9  13 o 188.942  12.169  319.106    39.933  304.059    49.208  348.128    68.339  183.077 15.540  193.368 20.556  -10.29092      25.76909 
1 1 1 -11 9  14 o 169.833  11.749  257.690    34.627  261.642    42.799  250.201    58.916  170.116 14.549  163.285 21.162  6.831192       25.68092 
1 1 1 -11 9  15 o 76.652   13.066  53.859     16.860  47.200     21.569  64.320     27.034  70.696  17.554  82.241  19.179  -11.54494      25.99909 
1 1 1 -11 9  16 o 53.525   13.301  26.617     12.376  37.718     16.075  10.462     19.392  63.550  14.768  43.638  17.231  19.91222       22.69379 
1 1 1 -11 9  17 o 196.210  12.016  344.199    40.969  356.103    50.540  321.388    69.964  198.449 14.690  184.499 22.161  13.95006       26.58805 
1 1 1 -11 9  18 o 243.129  23.712  561.891    99.380  561.891    99.380  0.0000     0.0000  243.129 23.712  ?       ?       0.000000       23.71179 
1 1 1 -11 9  19 o 215.921  14.300  420.948    53.607  490.484    77.211  356.236    74.485  230.046 19.403  193.955 22.406  36.09100       29.64002 
1 1 1 -11 9  20 o 189.559  15.268  326.547    50.107  313.880    72.364  338.214    69.450  181.170 23.424  189.486 21.364  -8.316025      31.70338 
1 1 1 -11 9  21 o 159.103  11.483  226.568    31.685  236.270    39.436  208.897    53.220  161.491 14.128  148.514 21.118  12.97697       25.40808 
1 1 1 -11 9  22 o 179.403  11.744  288.227    36.584  290.820    45.337  283.385    61.939  178.986 14.635  173.331 20.886  5.655731       25.50337 
1 1 1 -11 9  23 o 118.587  12.014  126.825    24.533  126.825    24.533  0.0000     0.0000  118.587 12.014  ?       ?       0.000000       12.01369 
1 1 1 -11 9  24 o 242.377  16.548  538.379    69.614  538.379    69.614  0.0000     0.0000  242.377 16.548  ?       ?       0.000000       16.54803 
1 1 1 -11 9  25 o 213.770  15.917  418.228    58.985  418.228    58.985  0.0000     0.0000  213.770 15.917  ?       ?       0.000000       15.91664 
1 1 1 -11 9  26 o 164.853  15.803  249.652    44.930  249.652    44.930  0.0000     0.0000  164.853 15.803  ?       ?       0.000000       15.80268 
1 1 1 -11 9  27 o 177.181  15.960  288.753    48.846  288.753    48.846  0.0000     0.0000  177.181 15.960  ?       ?       0.000000       15.96016 
1 1 1 -11 9  28 o 123.834  15.773  142.044    33.330  142.044    33.330  0.0000     0.0000  123.834 15.773  ?       ?       0.000000       15.77251 
1 1 1 -11 9  29 o 33.842   14.451  0.6242     15.106  0.6242     15.106  0.0000     0.0000  33.842  14.451  ?       ?       0.000000       14.45104 
1 1 1 -11 9  30 o 67.815   18.900  44.403     23.217  44.403     23.217  0.0000     0.0000  67.815  18.900  ?       ?       0.000000       18.90045 
1 1 1 -11 9  31 o 40.468   16.129  8.7943     17.138  8.7943     17.138  0.0000     0.0000  40.468  16.129  ?       ?       0.000000       16.12915 
1 1 1 -11 9  32 o 102.365  16.770  99.086     28.935  99.086     28.935  0.0000     0.0000  102.365 16.770  ?       ?       0.000000       16.76954 
1 1 1 -11 9  33 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -11 9  34 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -11 9  35 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -11 9  36 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -11 9  37 o 42.440   17.270  8.8192     20.097  8.8192     20.097  0.0000     0.0000  42.440  17.270  ?       ?       0.000000       17.27038 
1 1 1 -11 9  38 o 102.079  22.798  106.841    39.609  106.841    39.609  0.0000     0.0000  102.079 22.798  ?       ?       0.000000       22.79810 
1 1 1 -11 9  39 o 63.138   21.462  38.473     28.276  38.473     28.276  0.0000     0.0000  63.138  21.462  ?       ?       0.000000       21.46248 
1 1 1 -11 9  40 o 97.937   16.863  92.623     27.797  87.157     36.974  99.729     42.155  91.342  23.152  96.729  24.832  -5.386772      33.95092 
1 1 1 -11 9  41 o 79.808   17.930  63.000     24.377  61.247     31.807  65.496     37.948  76.808  22.361  78.521  24.767  -1.712967      33.36758 
1 1 1 -11 9  42 o 89.779   25.735  88.164     42.424  0.0000     0.0000  88.164     42.424  ?       ?       89.779  25.735  0.000000       25.73476 
1 1 1 -11 9  43 o 82.859   25.375  74.965     40.163  0.0000     0.0000  74.965     40.163  ?       ?       82.859  25.375  0.000000       25.37482 
1 1 1 -11 9  44 f 37.238   17.130  -13.5405   25.610  0.0000     0.0000  -13.5405   25.610  ?       ?       37.238  17.130  0.000000       17.13045 
1 1 1 -11 9  45 o 36.589   16.817  -12.7507   24.607  0.0000     0.0000  -12.7507   24.607  ?       ?       36.589  16.817  0.000000       16.81699 
1 1 1 -11 9  46 o 79.410   24.816  69.714     38.194  0.0000     0.0000  69.714     38.194  ?       ?       79.410  24.816  0.000000       24.81631 
1 1 1 -11 9  47 o 168.849  24.883  309.491    71.161  0.0000     0.0000  309.491    71.161  ?       ?       168.849 24.883  0.000000       24.88288 
1 1 1 -11 9  48 f 60.255   18.931  36.867     22.193  50.278     27.864  13.603     36.700  68.935  21.140  52.695  22.513  16.24005       30.88269 
1 1 1 -11 9  49 o 179.252  16.058  312.226    49.728  287.010    69.305  338.986    71.394  160.241 25.634  176.957 23.702  -16.71642      34.91261 
1 1 1 -11 10 1  o 135.654  13.747  168.933    32.112  130.631    58.825  185.192    38.326  109.690 29.896  140.998 15.842  -31.30853      33.83374 
1 1 1 -11 10 2  o 153.164  13.081  213.906    34.647  226.489    63.362  208.540    41.381  149.724 25.127  149.617 16.093  0.1068878      29.83884 
1 1 1 -11 10 3  o 23.342   10.274  -1.9928    8.1198  -0.6511    12.590  -2.9483    10.624  30.242  13.057  26.408  11.681  3.834772       17.51989 
1 1 1 -11 10 4  o 171.234  10.720  263.285    31.891  266.043    45.113  260.530    45.088  169.684 15.394  167.804 15.566  1.880737       21.89219 
1 1 1 -11 10 5  o 75.306   13.524  52.829     17.129  50.333     25.210  54.969     23.345  71.789  19.573  75.388  17.986  -3.598679      26.58224 
1 1 1 -11 10 6  o 72.717   12.211  48.794     14.954  53.537     22.043  44.750     20.354  74.618  17.262  68.216  17.117  6.402283       24.30967 
1 1 1 -11 10 7  o 62.192   13.477  36.311     14.213  36.507     20.712  36.137     19.539  61.792  18.060  61.472  17.412  0.3199692      25.08666 
1 1 1 -11 10 8  f 116.142  10.868  121.673    21.784  126.621    30.721  116.668    30.895  116.661 15.462  111.516 16.353  5.144730       22.50546 
1 1 1 -11 10 9  o 174.701  10.927  274.155    33.165  246.256    38.535  353.853    65.130  164.296 13.554  192.886 19.611  -28.58980      23.83891 
1 1 1 -11 10 10 o 117.934  12.513  126.700    25.374  126.700    25.374  0.0000     0.0000  117.934 12.513  ?       ?       0.000000       12.51340 
1 1 1 -11 10 11 f 111.749  12.511  113.894    23.994  113.894    23.994  0.0000     0.0000  111.749 12.511  ?       ?       0.000000       12.51147 
1 1 1 -11 10 12 o 134.887  12.607  165.498    29.348  165.498    29.348  0.0000     0.0000  134.887 12.607  ?       ?       0.000000       12.60708 
1 1 1 -11 10 13 o 155.758  10.732  217.983    29.009  207.670    33.993  245.618    55.646  151.011 13.019  159.805 20.408  -8.794754      24.20759 
1 1 1 -11 10 14 o 82.492   11.410  62.128     15.995  61.840     19.491  62.723     27.992  81.358  14.239  79.865  20.091  1.492538       24.62536 
1 1 1 -11 10 15 o 100.162  10.505  90.600     18.099  96.827     21.869  77.062     32.247  102.926 12.420  88.136  21.211  14.78998       24.57931 
1 1 1 -11 10 16 o 66.682   11.864  41.111     13.308  48.167     16.917  29.656     21.554  71.630  14.028  56.759  18.731  14.87125       23.40117 
1 1 1 -11 10 17 o 142.666  10.437  182.923    25.819  179.888    30.434  190.718    48.767  140.596 12.528  140.288 20.515  0.3081207      24.03790 
1 1 1 -11 10 18 o 51.851   15.659  25.139     15.370  25.139     15.370  0.0000     0.0000  51.851  15.659  ?       ?       0.000000       15.65886 
1 1 1 -11 10 19 o 92.742   18.340  83.178     28.646  83.178     28.646  0.0000     0.0000  92.742  18.340  ?       ?       0.000000       18.33984 
1 1 1 -11 10 20 o 76.331   19.966  57.619     26.915  57.619     26.915  0.0000     0.0000  76.331  19.966  ?       ?       0.000000       19.96613 
1 1 1 -11 10 21 o 227.627  13.873  474.730    54.876  436.332    68.052  546.121    92.791  214.468 18.349  235.059 22.899  -20.59131      29.34382 
1 1 1 -11 10 22 o 63.228   13.909  37.842     14.939  44.681     21.530  31.493     20.745  67.697  17.930  57.706  18.324  9.991322       25.63664 
1 1 1 -11 10 23 o 243.278  12.983  539.828    54.951  550.656    68.389  520.098    92.310  242.833 16.223  228.079 23.517  14.75449       28.56941 
1 1 1 -11 10 24 o 280.083  14.619  723.999    71.247  685.966    87.971  796.506    121.464 267.781 18.937  279.636 25.145  -11.85522      31.47843 
1 1 1 -11 10 25 o 153.754  11.590  214.741    30.887  214.741    30.887  0.0000     0.0000  153.754 11.590  ?       ?       0.000000       11.59023 
1 1 1 -11 10 26 o 137.747  14.709  176.902    34.830  176.902    34.830  0.0000     0.0000  137.747 14.709  ?       ?       0.000000       14.70893 
1 1 1 -11 10 27 o 56.039   18.199  29.712     20.379  29.712     20.379  0.0000     0.0000  56.039  18.199  ?       ?       0.000000       18.19946 
1 1 1 -11 10 28 o 72.929   17.713  52.363     22.331  52.363     22.331  0.0000     0.0000  72.929  17.713  ?       ?       0.000000       17.71267 
1 1 1 -11 10 29 o 39.669   16.105  7.8102     17.428  7.8102     17.428  0.0000     0.0000  39.669  16.105  ?       ?       0.000000       16.10536 
1 1 1 -11 10 30 o 79.682   18.039  62.825     24.514  62.825     24.514  0.0000     0.0000  79.682  18.039  ?       ?       0.000000       18.03897 
1 1 1 -11 10 31 f 77.406   18.891  60.080     25.308  60.080     25.308  0.0000     0.0000  77.406  18.891  ?       ?       0.000000       18.89089 
1 1 1 -11 10 32 o 108.147  28.108  132.060    53.565  132.060    53.565  0.0000     0.0000  108.147 28.108  ?       ?       0.000000       28.10781 
1 1 1 -11 10 33 o 111.766  26.627  138.077    51.222  138.077    51.222  0.0000     0.0000  111.766 26.627  ?       ?       0.000000       26.62697 
1 1 1 -11 10 34 o 45.196   19.887  0.0001     30.400  0.0001     30.400  0.0000     0.0000  45.196  19.887  ?       ?       0.000000       19.88657 
1 1 1 -11 10 35 o 57.026   22.765  25.345     34.188  25.345     34.188  0.0000     0.0000  57.026  22.765  ?       ?       0.000000       22.76452 
1 1 1 -11 10 36 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -11 10 37 o 142.466  25.203  220.803    60.400  0.0000     0.0000  220.803    60.400  ?       ?       142.466 25.203  0.000000       25.20299 
1 1 1 -11 10 38 o 54.338   21.762  22.621     31.354  0.0000     0.0000  22.621     31.354  ?       ?       54.338  21.762  0.000000       21.76212 
1 1 1 -11 10 39 o 46.448   19.820  7.9108     28.378  0.0000     0.0000  7.9108     28.378  ?       ?       46.448  19.820  0.000000       19.81969 
1 1 1 -11 10 40 o 90.103   25.904  93.608     42.927  0.0000     0.0000  93.608     42.927  ?       ?       90.103  25.904  0.000000       25.90411 
1 1 1 -11 10 41 o 26.805   13.097  -33.7901   20.247  0.0000     0.0000  -33.7901   20.247  ?       ?       26.805  13.097  0.000000       13.09711 
1 1 1 -11 10 42 o 78.104   22.801  67.629     33.031  67.629     33.031  0.0000     0.0000  78.104  22.801  ?       ?       0.000000       22.80107 
1 1 1 -11 10 43 o 145.414  23.890  233.319    58.549  233.319    58.549  0.0000     0.0000  145.414 23.890  ?       ?       0.000000       23.88951 
1 1 1 -11 10 44 o 107.369  23.964  130.135    43.787  130.135    43.787  0.0000     0.0000  107.369 23.964  ?       ?       0.000000       23.96364 
1 1 1 -11 10 45 o 103.045  17.888  108.705    31.018  109.544    41.793  107.677    46.282  97.025  24.627  93.540  26.899  3.485031       36.46966 
1 1 1 -11 11 1  o 102.544  12.170  97.859     21.365  98.143     30.892  97.599     29.578  98.893  18.573  99.171  17.732  -0.2776871     25.67846 
1 1 1 -11 11 2  o 89.089   15.792  77.131     23.666  53.873     46.902  85.075     27.411  71.674  27.200  92.590  17.598  -20.91559      32.39648 
1 1 1 -11 11 3  o 85.285   16.151  71.067     23.170  34.192     46.668  83.130     26.692  64.191  26.241  91.731  17.299  -27.54092      31.43054 
1 1 1 -11 11 4  o 67.531   17.681  45.744     21.094  57.381     43.862  42.243     24.059  73.191  26.576  64.508  19.616  8.682838       33.03125 
1 1 1 -11 11 5  o 99.189   11.795  91.107     20.027  88.312     27.367  94.328     29.386  94.771  17.170  97.556  17.912  -2.785110      24.81228 
1 1 1 -11 11 6  o 87.951   14.137  73.592     20.975  49.646     26.542  113.416    34.229  69.432  20.488  106.377 19.132  -36.94493      28.03138 
1 1 1 -11 11 7  o 118.815  10.181  128.454    20.917  142.822    24.824  93.278     38.842  124.628 11.538  93.029  23.812  31.59923       26.45992 
1 1 1 -11 11 8  f 86.586   11.860  69.663     17.459  57.775     21.041  95.942     31.284  76.791  16.202  97.784  19.007  -20.99358      24.97540 
1 1 1 -11 11 9  o 124.505  10.269  141.038    22.124  147.759    26.180  124.244    41.382  126.546 11.991  108.969 22.495  17.57716       25.49131 
1 1 1 -11 11 10 o 89.639   11.158  74.089     17.086  77.524     20.707  66.759     30.246  90.662  13.492  79.994  21.282  10.66790       25.19833 
1 1 1 -11 11 11 o 160.508  10.775  234.745    30.022  221.462    35.060  271.257    58.128  154.329 13.136  163.877 20.781  -9.548218      24.58487 
1 1 1 -11 11 12 o 30.704   13.037  1.4652     12.168  1.4652     12.168  0.0000     0.0000  30.704  13.037  ?       ?       0.000000       13.03653 
1 1 1 -11 11 13 o 17.379   8.5857  -20.6345   9.5068  -20.6345   9.5068  0.0000     0.0000  17.379  8.5857  ?       ?       0.000000       8.585652 
1 1 1 -11 11 14 o 77.601   15.097  58.236     19.719  58.236     19.719  0.0000     0.0000  77.601  15.097  ?       ?       0.000000       15.09687 
1 1 1 -11 11 15 o 83.010   12.183  64.369     17.133  59.745     20.988  73.606     29.663  78.211  15.910  84.493  20.349  -6.281738      25.83031 
1 1 1 -11 11 16 o 49.636   16.599  23.034     16.910  7.7021     34.046  28.054     19.483  49.909  21.510  54.033  17.807  -4.124363      27.92465 
1 1 1 -11 11 17 o 37.957   14.704  9.7929     13.898  -12.4886   32.498  14.780     15.375  42.513  19.461  42.607  15.694  -0.9389877E-01 25.00047 
1 1 1 -11 11 18 o 102.652  16.656  102.881    28.830  113.464    49.089  97.309     35.620  99.354  27.406  96.364  21.693  2.989441       34.95265 
1 1 1 -11 11 19 o 46.635   15.009  20.421     13.883  4.0396     19.201  38.364     20.095  38.668  16.395  61.868  17.705  -23.19901      24.13027 
1 1 1 -11 11 20 o 30.051   12.032  4.6444     9.5822  -6.8019    15.652  11.506     12.119  30.249  13.715  38.002  13.943  -7.752308      19.55755 
1 1 1 -11 11 21 o 143.699  15.566  198.132    38.432  205.670    59.220  192.648    50.515  136.606 25.773  135.930 22.038  0.6752319      33.91038 
1 1 1 -11 11 22 o 91.776   17.378  83.766     26.828  74.883     44.833  88.722     33.486  80.668  27.027  91.829  21.298  -11.16080      34.40998 
1 1 1 -11 11 23 o 99.562   15.684  96.295     26.363  120.506    45.295  83.893     32.419  103.854 25.228  89.238  21.132  14.61582       32.90954 
1 1 1 -11 11 24 o 38.144   13.002  12.840     10.377  13.134     14.610  12.542     14.740  40.760  15.243  40.395  15.268  0.3650551      21.57440 
1 1 1 -11 11 25 o 203.059  12.079  381.924    42.635  409.636    53.416  333.283    70.768  207.324 14.854  176.345 23.573  30.97934       27.86310 
1 1 1 -11 11 26 o 81.498   17.579  67.060     24.280  67.060     24.280  0.0000     0.0000  81.498  17.579  ?       ?       0.000000       17.57870 
1 1 1 -11 11 27 o 45.610   14.327  19.816     12.712  19.816     12.712  0.0000     0.0000  45.610  14.327  ?       ?       0.000000       14.32719 
1 1 1 -11 11 28 o 74.246   19.417  57.673     25.458  57.673     25.458  0.0000     0.0000  74.246  19.417  ?       ?       0.000000       19.41723 
1 1 1 -11 11 29 o 76.836   18.964  61.420     25.287  61.420     25.287  0.0000     0.0000  76.836  18.964  ?       ?       0.000000       18.96373 
1 1 1 -11 11 30 o 108.785  17.557  118.899    32.214  118.899    32.214  0.0000     0.0000  108.785 17.557  ?       ?       0.000000       17.55745 
1 1 1 -11 11 31 o 56.585   18.515  32.421     21.078  32.421     21.078  0.0000     0.0000  56.585  18.515  ?       ?       0.000000       18.51517 
1 1 1 -11 11 32 o 40.907   16.446  10.681     17.981  10.681     17.981  0.0000     0.0000  40.907  16.446  ?       ?       0.000000       16.44580 
1 1 1 -11 11 33 o 99.960   17.757  101.742    29.858  101.742    29.858  0.0000     0.0000  99.960  17.757  ?       ?       0.000000       17.75726 
1 1 1 -11 11 34 o 73.079   19.408  56.934     25.181  56.934     25.181  0.0000     0.0000  73.079  19.408  ?       ?       0.000000       19.40758 
1 1 1 -11 11 35 o 59.694   18.691  37.317     21.655  37.317     21.655  0.0000     0.0000  59.694  18.691  ?       ?       0.000000       18.69094 
1 1 1 -11 11 36 o 31.585   14.077  -2.9820    15.719  -2.9820    15.719  0.0000     0.0000  31.585  14.077  ?       ?       0.000000       14.07664 
1 1 1 -11 11 37 o 55.150   17.703  31.364     19.323  30.240     25.019  33.026     30.420  54.821  20.046  57.217  21.860  -2.395657      29.65937 
1 1 1 -11 11 38 o 72.152   18.749  55.851     23.835  64.673     30.671  42.399     37.873  75.225  21.974  62.245  24.228  12.98056       32.70867 
1 1 1 -11 11 39 o 65.848   18.281  46.458     21.764  30.549     27.538  72.933     35.524  55.022  20.851  77.902  23.866  -22.88008      31.69116 
1 1 1 -11 12 1  o 31.315   13.024  4.0160     11.762  28.104     21.703  -6.0020    13.996  52.450  18.738  28.225  12.863  24.22567       22.72847 
1 1 1 -11 12 2  o 50.400   16.585  25.786     16.903  4.7468     25.216  42.953     22.778  41.853  18.271  62.766  19.087  -20.91299      26.42225 
1 1 1 -11 12 3  o 66.881   16.011  46.116     18.449  52.780     27.297  40.512     25.033  68.344  20.917  60.761  20.192  7.583496       29.07328 
1 1 1 -11 12 4  f 32.157   13.270  4.7360     12.075  1.4575     23.765  5.8769     14.019  39.737  17.529  34.614  14.293  5.123055       22.61763 
1 1 1 -11 12 5  o 90.239   17.367  84.487     26.370  73.732     41.513  91.763     34.144  76.281  26.005  89.881  21.947  -13.60005      34.02826 
1 1 1 -11 12 6  o 56.871   22.442  32.217     32.872  32.217     32.872  0.0000     0.0000  56.871  22.442  ?       ?       0.000000       22.44167 
1 1 1 -11 12 7  o 103.458  17.564  110.601    30.593  110.601    30.593  0.0000     0.0000  103.458 17.564  ?       ?       0.000000       17.56373 
1 1 1 -11 12 8  o 121.506  12.359  140.557    25.856  140.557    25.856  0.0000     0.0000  121.506 12.359  ?       ?       0.000000       12.35897 
1 1 1 -11 12 9  o 80.363   11.570  61.369     15.767  60.206     18.790  64.137     28.988  77.981  14.328  75.556  21.141  2.425270       25.53905 
1 1 1 -11 12 10 o 92.031   13.384  82.178     20.877  69.327     26.436  103.475    34.031  80.330  19.123  97.246  20.678  -16.91534      28.16506 
1 1 1 -11 12 11 o 58.694   16.493  35.621     17.604  6.6479     24.068  68.951     25.814  42.205  18.137  80.429  18.731  -38.22472      26.07266 
1 1 1 -11 12 12 o 52.060   15.348  27.394     14.902  34.625     22.269  21.529     20.054  57.304  19.045  48.162  17.888  9.142658       26.12820 
1 1 1 -11 12 13 o 38.679   14.134  12.805     12.435  14.943     19.720  11.394     16.021  43.942  17.368  39.712  15.668  4.230167       23.39130 
1 1 1 -11 12 14 o 49.742   13.589  24.539     12.137  37.339     15.496  4.2253     19.522  60.882  14.736  38.102  16.353  22.78027       22.01280 
1 1 1 -11 12 15 o 43.799   15.459  17.847     14.728  17.847     14.728  0.0000     0.0000  43.799  15.459  ?       ?       0.000000       15.45876 
1 1 1 -11 12 16 o 40.284   15.535  12.756     15.461  12.756     15.461  0.0000     0.0000  40.284  15.535  ?       ?       0.000000       15.53535 
1 1 1 -11 12 17 o 90.795   15.222  82.313     23.279  82.313     23.279  0.0000     0.0000  90.795  15.222  ?       ?       0.000000       15.22233 
1 1 1 -11 12 18 o 104.714  10.486  102.249    18.915  117.773    23.124  70.853     32.884  111.319 12.091  77.999  22.745  33.32012       25.75876 
1 1 1 -11 12 19 o 126.182  11.242  149.503    24.509  140.245    29.065  172.285    45.596  119.791 14.171  124.726 21.726  -4.934708      25.93900 
1 1 1 -11 12 20 o 75.926   12.629  55.795     16.155  52.088     19.663  63.495     28.339  71.169  16.188  75.216  20.853  -4.046867      26.39874 
1 1 1 -11 12 21 o 110.423  11.604  115.350    22.039  100.866    26.269  149.781    40.502  100.299 15.500  117.326 20.518  -17.02672      25.71403 
1 1 1 -11 12 22 o 14.698   7.0313  -6.7523    5.1103  2.6336     11.313  -9.1586    5.7281  29.980  12.641  14.789  7.1664  15.19094       14.53064 
1 1 1 -11 12 23 o 114.962  10.941  124.077    21.698  112.717    25.725  152.081    40.391  107.150 14.092  118.270 20.289  -11.11961      24.70307 
1 1 1 -11 12 24 o 83.831   14.740  70.280     20.788  54.070     27.294  92.672     32.078  69.035  20.871  91.336  20.605  -22.30056      29.32849 
1 1 1 -11 12 25 o 111.724  18.056  131.068    34.021  131.068    34.021  0.0000     0.0000  111.724 18.056  ?       ?       0.000000       18.05554 
1 1 1 -11 12 26 o 56.810   15.300  33.201     15.515  33.201     15.515  0.0000     0.0000  56.810  15.300  ?       ?       0.000000       15.29958 
1 1 1 -11 12 27 o 28.095   11.820  2.3359     9.8556  2.3359     9.8556  0.0000     0.0000  28.095  11.820  ?       ?       0.000000       11.81959 
1 1 1 -11 12 28 o 34.265   12.871  9.3800     10.440  9.3800     10.440  0.0000     0.0000  34.265  12.871  ?       ?       0.000000       12.87091 
1 1 1 -11 12 29 o 31.204   12.062  6.9271     9.3373  6.9271     9.3373  0.0000     0.0000  31.204  12.062  ?       ?       0.000000       12.06200 
1 1 1 -11 12 30 o 33.643   12.661  9.0155     10.111  9.0155     10.111  0.0000     0.0000  33.643  12.661  ?       ?       0.000000       12.66094 
1 1 1 -11 12 31 o 30.031   13.689  -5.8160    15.863  -5.8160    15.863  0.0000     0.0000  30.031  13.689  ?       ?       0.000000       13.68910 
1 1 1 -11 12 32 o 57.280   19.469  36.697     23.268  36.697     23.268  0.0000     0.0000  57.280  19.469  ?       ?       0.000000       19.46944 
1 1 1 -11 13 1  o 31.246   14.054  -1.7193    16.058  14.656     21.822  -21.0600   23.715  42.392  17.694  31.201  14.984  11.19195       23.18634 
1 1 1 -11 13 2  o 27.541   13.199  -18.0075   18.189  -18.0075   18.189  0.0000     0.0000  27.541  13.199  ?       ?       0.000000       13.19856 
1 1 1 -11 13 3  o 37.246   13.141  13.282     10.641  30.721     13.733  -12.9150   16.832  53.755  14.359  27.823  13.151  25.93166       19.47130 
1 1 1 -11 13 4  o 37.927   13.832  13.524     11.902  18.701     16.066  7.2268     17.719  43.198  16.018  36.848  15.691  6.349636       22.42230 
1 1 1 -11 13 5  o 53.625   17.662  32.701     19.168  9.3715     31.528  46.380     24.142  44.306  19.827  61.750  19.784  -17.44350      28.00944 
1 1 1 -11 13 6  o 63.702   17.872  46.556     20.688  46.495     33.315  46.594     26.393  59.399  22.833  61.112  20.736  -1.712780      30.84313 
1 1 1 -11 13 7  o 62.615   16.114  42.931     17.720  15.660     22.922  83.439     27.937  43.671  18.174  84.625  19.330  -40.95405      26.53175 
1 1 1 -11 13 8  o 61.521   15.715  41.036     16.942  29.367     22.247  57.145     26.140  51.161  18.873  68.297  20.375  -17.13586      27.77313 
1 1 1 -11 13 9  o 57.395   17.481  37.313     19.096  42.021     32.300  34.783     23.676  57.628  22.390  54.508  19.561  3.119923       29.73133 
1 1 1 -11 13 10 o 54.440   13.973  30.996     13.349  29.411     16.532  33.965     22.629  51.824  16.347  54.143  19.156  -2.318539      25.18317 
1 1 1 -11 13 11 o 34.231   13.169  9.4970     11.089  18.351     14.209  -4.3008    17.737  42.752  15.174  31.826  14.495  10.92601       20.98440 
1 1 1 -11 13 12 o 45.711   13.961  21.677     12.167  19.594     14.883  25.876     21.128  43.872  15.534  49.027  18.331  -5.154987      24.02769 
1 1 1 -11 13 13 o 52.090   14.136  28.477     13.186  26.389     16.154  32.646     22.824  49.415  16.211  53.308  19.198  -3.893192      25.12694 
1 1 1 -11 13 14 o 27.163   11.355  2.8860     9.0075  -3.7560    11.976  11.538     13.668  26.510  12.010  37.286  14.543  -10.77595      18.86102 
1 1 1 -11 13 15 o 27.587   11.330  3.7829     8.7506  15.060     12.275  -7.8717    12.478  39.517  14.095  25.227  11.728  14.28981       18.33621 
1 1 1 -11 13 16 o 25.353   11.040  0.1132     9.1541  -13.6633   15.064  8.1782     11.526  25.934  12.312  33.462  13.262  -7.527786      18.09570 
1 1 1 -11 13 17 o 24.672   10.706  0.2356     8.5508  6.2766     10.906  -9.4031    13.776  31.533  12.762  26.054  12.182  5.478701       17.64305 
1 1 1 -11 13 18 o 68.424   15.848  50.626     18.562  50.626     18.562  0.0000     0.0000  68.424  15.848  ?       ?       0.000000       15.84775 
1 1 1 -11 13 19 o 29.649   12.591  3.0509     11.355  3.0509     11.355  0.0000     0.0000  29.649  12.591  ?       ?       0.000000       12.59116 
1 1 1 -11 13 20 o 16.020   7.7959  -11.3728   6.9706  -11.3728   6.9706  0.0000     0.0000  16.020  7.7959  ?       ?       0.000000       7.795925 
1 1 1 -11 13 21 o 45.083   13.116  20.962     10.946  22.625     13.924  18.271     17.710  46.226  15.045  43.310  16.647  2.915676       22.43867 
1 1 1 -10 0  1  o 98.170   15.096  90.076     24.057  90.076     24.057  90.076     24.057  98.170  15.096  98.170  15.096  0.000000       0.000000 
1 1 1 -10 0  2  o 31.877   16.472  12.981     11.786  12.981     11.786  12.981     11.786  31.877  16.472  31.877  16.472  0.000000       0.000000 
1 1 1 -10 0  3  o 178.420  14.608  284.095    44.808  284.095    44.808  284.095    44.808  178.420 14.608  178.420 14.608  0.000000       0.000000 
1 1 1 -10 0  4  f 449.362  20.913  1782.62    163.281 1782.62    163.281 1782.62    163.281 449.362 20.913  449.362 20.913  0.000000       0.000000 
1 1 1 -10 0  5  o 209.105  14.714  388.257    53.113  388.257    53.113  388.257    53.113  209.105 14.714  209.105 14.714  0.000000       0.000000 
1 1 1 -10 0  6  o 346.232  18.027  1058.70    108.304 1058.70    108.304 1058.70    108.304 346.232 18.027  346.232 18.027  0.000000       0.000000 
1 1 1 -10 0  7  o 170.187  14.282  258.707    41.754  258.707    41.754  258.707    41.754  170.187 14.282  170.187 14.282  0.000000       0.000000 
1 1 1 -10 0  8  o 221.404  14.807  434.672    56.654  434.672    56.654  434.672    56.654  221.404 14.807  221.404 14.807  0.000000       0.000000 
1 1 1 -10 0  9  o 25.349   14.237  7.4929     9.5298  7.4929     9.5298  7.4929     9.5298  25.349  14.237  25.349  14.237  0.000000       0.000000 
1 1 1 -10 0  10 o 184.423  14.500  303.068    46.028  303.068    46.028  303.068    46.028  184.423 14.500  184.423 14.500  0.000000       0.000000 
1 1 1 -10 0  11 o 213.089  14.801  403.056    54.461  403.056    54.461  403.056    54.461  213.089 14.801  213.089 14.801  0.000000       0.000000 
1 1 1 -10 0  12 o 53.255   17.776  31.887     14.734  31.887     14.734  31.887     14.734  53.255  17.776  53.255  17.776  0.000000       0.000000 
1 1 1 -10 0  13 o 731.849  30.340  4746.97    386.191 4746.97    386.191 4746.97    386.191 731.849 30.340  731.849 30.340  0.000000       0.000000 
1 1 1 -10 0  14 f 284.532  16.538  716.041    81.530  716.041    81.530  716.041    81.530  284.532 16.538  284.532 16.538  0.000000       0.000000 
1 1 1 -10 0  15 o 71.960   16.517  51.844     18.072  51.844     18.072  51.844     18.072  71.960  16.517  71.960  16.517  0.000000       0.000000 
1 1 1 -10 0  16 o 137.907  14.121  171.557    33.187  171.557    33.187  171.557    33.187  137.907 14.121  137.907 14.121  0.000000       0.000000 
1 1 1 -10 0  17 o 95.887   14.889  86.036     23.138  86.036     23.138  86.036     23.138  95.887  14.889  95.887  14.889  0.000000       0.000000 
1 1 1 -10 0  18 o 531.104  23.452  2492.38    216.516 2492.38    216.516 2492.38    216.516 531.104 23.452  531.104 23.452  0.000000       0.000000 
1 1 1 -10 0  19 o 70.636   16.264  49.992     17.462  49.992     17.462  49.992     17.462  70.636  16.264  70.636  16.264  0.000000       0.000000 
1 1 1 -10 0  20 o 338.716  17.935  1013.79    105.394 1013.79    105.394 1013.79    105.394 338.716 17.935  338.716 17.935  0.000000       0.000000 
1 1 1 -10 0  21 f 402.600  19.681  1431.72    137.600 1431.72    137.600 1431.72    137.600 402.600 19.681  402.600 19.681  0.000000       0.000000 
1 1 1 -10 0  22 o 193.821  14.647  334.395    48.917  334.395    48.917  334.395    48.917  193.821 14.647  193.821 14.647  0.000000       0.000000 
1 1 1 -10 0  23 o 302.637  15.952  808.765    83.762  808.765    83.762  808.765    83.762  302.637 15.952  302.637 15.952  0.000000       0.000000 
1 1 1 -10 0  24 o 595.497  25.342  3137.88    262.412 3137.88    262.412 3137.88    262.412 595.497 25.342  595.497 25.342  0.000000       0.000000 
1 1 1 -10 0  25 o 209.203  15.557  389.572    56.106  389.572    56.106  389.572    56.106  209.203 15.557  209.203 15.557  0.000000       0.000000 
1 1 1 -10 0  26 o 266.569  16.031  629.178    73.999  629.178    73.999  629.178    73.999  266.569 16.031  266.569 16.031  0.000000       0.000000 
1 1 1 -10 0  27 o 278.507  15.546  685.709    75.062  685.709    75.062  685.709    75.062  278.507 15.546  278.507 15.546  0.000000       0.000000 
1 1 1 -10 0  28 o 77.438   19.527  61.554     22.834  61.554     22.834  61.554     22.834  77.438  19.527  77.438  19.527  0.000000       0.000000 
1 1 1 -10 0  29 f 229.383  15.015  466.725    59.545  466.725    59.545  466.725    59.545  229.383 15.015  229.383 15.015  0.000000       0.000000 
1 1 1 -10 0  30 o 84.244   15.856  68.347     20.909  68.347     20.909  68.347     20.909  84.244  15.856  84.244  15.856  0.000000       0.000000 
1 1 1 -10 0  31 o 325.669  17.462  938.284    98.643  938.284    98.643  938.284    98.643  325.669 17.462  325.669 17.462  0.000000       0.000000 
1 1 1 -10 0  32 o 448.729  21.082  1782.17    164.352 1782.17    164.352 1782.17    164.352 448.729 21.082  448.729 21.082  0.000000       0.000000 
1 1 1 -10 0  33 o 545.926  23.324  2640.11    221.404 2640.11    221.404 2640.11    221.404 545.926 23.324  545.926 23.324  0.000000       0.000000 
1 1 1 -10 0  34 o 274.987  17.074  671.153    81.256  671.153    81.256  671.153    81.256  274.987 17.074  274.987 17.074  0.000000       0.000000 
1 1 1 -10 0  35 o 452.838  21.363  1817.38    168.062 1817.38    168.062 1817.38    168.062 452.838 21.363  452.838 21.363  0.000000       0.000000 
1 1 1 -10 0  36 o 688.949  42.159  4333.63    502.801 4333.63    502.801 4333.63    502.801 688.949 42.159  688.949 42.159  0.000000       0.000000 
1 1 1 -10 0  37 o 465.066  21.669  1918.95    175.093 1918.95    175.093 1918.95    175.093 465.066 21.669  465.066 21.669  0.000000       0.000000 
1 1 1 -10 0  38 o ?        ?       -40.3669   6.1678  -40.3669   6.1678  -40.3669   6.1678  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 -10 0  39 o 640.953  39.941  3762.03    443.020 3762.03    443.020 3762.03    443.020 640.953 39.941  640.953 39.941  0.000000       0.000000 
1 1 1 -10 0  40 o 240.492  23.004  525.213    94.568  525.213    94.568  525.213    94.568  240.492 23.004  240.492 23.004  0.000000       0.000000 
1 1 1 -10 0  41 o 445.261  30.450  1798.44    234.196 1798.44    234.196 1798.44    234.196 445.261 30.450  445.261 30.450  0.000000       0.000000 
1 1 1 -10 0  42 o 15.328   10.657  -9.1124    10.100  -9.1124    10.100  -9.1124    10.100  15.328  10.657  15.328  10.657  0.000000       0.000000 
1 1 1 -10 0  43 o 278.278  23.941  703.233    114.346 703.233    114.346 703.233    114.346 278.278 23.941  278.278 23.941  0.000000       0.000000 
1 1 1 -10 0  44 o 392.427  28.296  1403.28    191.566 1403.28    191.566 1403.28    191.566 392.427 28.296  392.427 28.296  0.000000       0.000000 
1 1 1 -10 0  45 o 329.359  17.716  967.014    101.210 967.014    101.210 967.014    101.210 329.359 17.716  329.359 17.716  0.000000       0.000000 
1 1 1 -10 0  46 o 185.898  15.010  310.506    47.989  310.506    47.989  310.506    47.989  185.898 15.010  185.898 15.010  0.000000       0.000000 
1 1 1 -10 0  47 o 29.802   17.588  9.0011     15.674  9.0011     15.674  9.0011     15.674  29.802  17.588  29.802  17.588  0.000000       0.000000 
1 1 1 -10 0  48 o 65.986   21.313  48.986     21.695  48.986     21.695  48.986     21.695  65.986  21.313  65.986  21.313  0.000000       0.000000 
1 1 1 -10 0  49 f 153.889  15.219  215.591    39.975  215.591    39.975  215.591    39.975  153.889 15.219  153.889 15.219  0.000000       0.000000 
1 1 1 -10 0  50 o 226.809  15.771  463.156    61.764  463.156    61.764  463.156    61.764  226.809 15.771  226.809 15.771  0.000000       0.000000 
1 1 1 -10 0  51 o 85.482   19.036  73.869     24.826  73.869     24.826  73.869     24.826  85.482  19.036  85.482  19.036  0.000000       0.000000 
1 1 1 -10 0  52 o 473.738  22.386  2055.83    184.235 2055.83    184.235 2055.83    184.235 473.738 22.386  473.738 22.386  0.000000       0.000000 
1 1 1 -10 0  53 o 571.269  40.217  3322.81    396.591 3322.81    396.591 3322.81    396.591 571.269 40.217  571.269 40.217  0.000000       0.000000 
1 1 1 -10 0  54 o 311.053  17.638  880.450    95.093  880.450    95.093  880.450    95.093  311.053 17.638  311.053 17.638  0.000000       0.000000 
1 1 1 -10 0  55 o 268.536  16.605  657.044    77.174  657.044    77.174  657.044    77.174  268.536 16.605  268.536 16.605  0.000000       0.000000 
1 1 1 -10 0  56 o 20.932   14.119  -6.1480    14.959  -6.1480    14.959  -6.1480    14.959  20.932  14.119  20.932  14.119  0.000000       0.000000 
1 1 1 -10 0  57 o 27.606   18.362  -4.9076    23.745  -4.9076    23.745  -4.9076    23.745  27.606  18.362  27.606  18.362  0.000000       0.000000 
1 1 1 -10 0  58 o 101.485  29.345  119.261    45.115  119.261    45.115  119.261    45.115  101.485 29.345  101.485 29.345  0.000000       0.000000 
1 1 1 -10 0  59 o 34.256   21.208  10.299     25.167  10.299     25.167  10.299     25.167  34.256  21.208  34.256  21.208  0.000000       0.000000 
1 1 1 -10 0  60 o 161.038  24.994  266.462    65.237  266.462    65.237  266.462    65.237  161.038 24.994  161.038 24.994  0.000000       0.000000 
1 1 1 -10 0  61 o 92.344   21.358  90.995     29.965  90.995     29.965  90.995     29.965  92.344  21.358  92.344  21.358  0.000000       0.000000 
1 1 1 -10 0  62 o 47.320   23.625  32.624     23.777  32.624     23.777  32.624     23.777  47.320  23.625  47.320  23.625  0.000000       0.000000 
1 1 1 -10 0  63 o 33.038   21.258  6.0084     28.157  6.0084     28.157  6.0084     28.157  33.038  21.258  33.038  21.258  0.000000       0.000000 
1 1 1 -10 0  64 o 79.467   23.263  74.012     28.036  74.012     28.036  74.012     28.036  79.467  23.263  79.467  23.263  0.000000       0.000000 
1 1 1 -10 0  65 o 116.293  18.405  137.346    34.570  137.346    34.570  137.346    34.570  116.293 18.405  116.293 18.405  0.000000       0.000000 
1 1 1 -10 0  66 o 134.101  17.639  180.229    39.319  180.229    39.319  180.229    39.319  134.101 17.639  134.101 17.639  0.000000       0.000000 
1 1 1 -10 0  67 o 22.780   15.382  -5.0982    17.839  -5.0982    17.839  -5.0982    17.839  22.780  15.382  22.780  15.382  0.000000       0.000000 
1 1 1 -10 1  1  o 410.197  16.117  1478.66    115.437 1414.94    141.394 1606.04    199.906 399.994 20.312  424.145 27.135  -24.15112      33.89500 
1 1 1 -10 1  2  o 311.850  13.856  853.115    75.445  872.312    92.430  814.791    130.596 314.529 16.892  302.160 24.977  12.36942       30.15282 
1 1 1 -10 1  3  o 115.524  11.285  117.987    22.474  123.844    27.587  106.430    38.749  118.057 13.634  107.974 21.310  10.08339       25.29783 
1 1 1 -10 1  4  o 482.843  17.865  2051.25    150.619 2057.26    184.486 2039.24    260.837 482.613 21.893  476.581 31.523  6.032104       38.37971 
1 1 1 -10 1  5  o 352.904  14.555  1092.84    89.688  1109.66    109.873 1059.26    155.263 355.175 17.717  344.598 25.996  10.57678       31.45893 
1 1 1 -10 1  6  o 524.725  18.929  2424.28    173.431 2378.17    212.417 2516.48    300.369 518.537 23.461  529.278 32.661  -10.73999      40.21429 
1 1 1 -10 1  7  o 83.714   11.642  62.547     16.556  60.459     20.288  66.709     28.644  81.773  14.752  85.347  19.631  -3.574532      24.55566 
1 1 1 -10 1  8  o 519.299  15.510  2367.51    140.632 2148.85    198.809 2586.49    198.960 493.071 23.092  541.519 21.042  -48.44730      31.24123 
1 1 1 -10 1  9  o 250.094  10.817  547.525    47.237  537.177    66.632  557.979    66.975  246.888 15.536  251.674 15.314  -4.785980      21.81470 
1 1 1 -10 1  10 f 397.974  15.447  1390.22    107.339 1238.21    185.793 1466.37    131.507 372.062 28.824  408.262 18.448  -36.19928      34.22197 
1 1 1 -10 1  11 o 72.240   12.117  46.945     14.742  49.338     24.783  45.635     18.340  73.522  19.124  70.765  15.289  2.756744       24.48444 
1 1 1 -10 1  12 o 396.917  15.407  1382.65    106.777 1221.19    184.768 1463.61    130.836 369.542 28.864  407.922 18.369  -38.38052      34.21356 
1 1 1 -10 1  13 o 263.850  11.013  609.403    50.738  568.471    71.549  650.809    71.962  253.933 16.222  271.919 15.218  -17.98627      22.24229 
1 1 1 -10 1  14 o 451.100  16.213  1786.73    127.700 1551.84    156.272 2258.83    221.548 418.983 21.433  505.198 25.116  -86.21481      33.01749 
1 1 1 -10 1  15 o 752.333  23.798  5001.97    312.612 4339.87    382.748 6328.69    541.803 697.643 31.421  839.093 36.980  -141.4496      48.52624 
1 1 1 -10 1  16 o 219.062  11.379  421.244    43.374  364.016    52.918  538.402    75.715  203.154 15.025  246.886 17.681  -43.73187      23.20266 
1 1 1 -10 1  17 o 193.141  11.388  327.707    38.233  305.449    46.639  373.314    66.761  186.076 14.469  205.161 18.847  -19.08484      23.76041 
1 1 1 -10 1  18 o 206.435  11.534  374.260    41.408  369.354    50.615  384.187    72.003  204.754 14.246  207.941 20.081  -3.186951      24.62106 
1 1 1 -10 1  19 f 413.164  15.622  1498.07    112.702 1450.51    137.988 1593.38    195.328 405.972 19.466  423.242 26.566  -17.27054      32.93435 
1 1 1 -10 1  20 o 378.081  15.141  1254.06    99.957  1203.85    122.368 1354.75    173.283 369.436 19.035  390.416 25.561  -20.97998      31.86942 
1 1 1 -10 1  21 o 504.686  18.426  2239.82    162.373 2239.82    162.373 0.0000     0.0000  504.686 18.426  ?       ?       0.000000       18.42598 
1 1 1 -10 1  22 o 338.740  14.315  1006.16    84.666  1006.16    84.666  0.0000     0.0000  338.740 14.315  ?       ?       0.000000       14.31461 
1 1 1 -10 1  23 o 605.171  20.907  3227.27    220.923 3211.18    270.639 3259.41    382.465 602.223 25.738  601.437 36.594  0.7858887      44.73866 
1 1 1 -10 1  24 o 280.744  13.005  690.605    63.751  731.801    78.213  609.057    110.043 288.353 15.592  261.367 24.395  26.98602       28.95208 
1 1 1 -10 1  25 o 421.188  16.514  1557.90    121.452 1529.90    148.817 1613.74    210.165 416.735 20.452  425.319 28.464  -8.584167      35.04963 
1 1 1 -10 1  26 o 168.355  11.119  249.191    32.500  289.634    40.002  170.649    55.746  181.382 12.711  136.984 24.191  44.39772       27.32720 
1 1 1 -10 1  27 o 761.227  30.541  5162.82    405.932 5531.72    574.283 4794.46    573.867 779.750 42.339  723.401 45.667  56.34918       62.27417 
1 1 1 -10 1  28 o 192.593  13.967  326.919    46.649  382.654    66.417  272.655    65.535  207.762 18.502  174.450 22.004  33.31236       28.74924 
1 1 1 -10 1  29 o 236.914  15.666  494.853    64.439  461.305    91.439  527.951    90.824  227.318 23.370  243.713 21.566  -16.39551      31.80036 
1 1 1 -10 1  30 o 338.161  17.179  1007.63    101.104 1159.38    143.233 856.943    142.732 361.575 22.804  309.700 26.655  51.87476       35.07835 
1 1 1 -10 1  31 o 492.459  21.642  2140.40    186.094 2352.41    263.389 1929.07    262.965 513.095 29.524  463.244 32.721  49.85065       44.07190 
1 1 1 -10 1  32 o 350.503  15.008  1078.30    91.851  969.119    159.253 1132.73    112.436 328.995 27.989  358.375 18.026  -29.37955      33.29104 
1 1 1 -10 1  33 f 187.153  11.180  307.812    36.367  402.865    63.506  261.431    44.361  213.369 17.192  171.942 14.924  41.42714       22.76581 
1 1 1 -10 1  34 o 241.874  13.181  514.482    55.455  351.997    96.274  595.162    67.840  196.794 28.877  259.936 15.011  -63.14198      32.54535 
1 1 1 -10 1  35 o 207.994  12.212  380.439    44.154  0.0000     0.0000  380.439    44.154  ?       ?       207.994 12.212  0.000000       12.21151 
1 1 1 -10 1  36 o 428.373  16.478  1613.70    123.253 0.0000     0.0000  1613.70    123.253 ?       ?       428.373 16.478  0.000000       16.47831 
1 1 1 -10 1  37 o 433.930  16.674  1656.58    126.334 1796.10    218.856 1586.86    154.714 447.854 28.130  423.771 20.909  24.08298       35.04979 
1 1 1 -10 1  38 o 364.248  12.988  1163.97    82.602  1161.08    116.878 1166.86    116.757 362.424 18.531  363.344 18.464  -0.9193726     26.15993 
1 1 1 -10 1  39 o 418.426  14.023  1537.62    102.453 1576.73    144.969 1498.60    144.812 422.509 19.651  411.789 20.140  10.72012       28.13863 
1 1 1 -10 1  40 o 485.869  17.849  2081.93    151.426 2261.56    262.576 1992.41    185.354 500.915 30.162  473.941 22.398  26.97412       37.56889 
1 1 1 -10 1  41 o 431.905  14.258  1639.77    107.527 1715.91    152.132 1563.77    152.000 440.429 19.782  420.185 20.718  20.24380       28.64557 
1 1 1 -10 1  42 f 366.786  13.034  1181.68    83.475  1151.31    118.124 1211.98    117.979 360.381 18.838  370.382 18.243  -10.00125      26.22319 
1 1 1 -10 1  43 o 210.694  10.474  389.189    38.532  381.122    54.599  397.194    54.386  207.482 15.176  211.906 14.792  -4.423889      21.19212 
1 1 1 -10 1  44 o 303.862  11.858  810.794    62.917  810.402    88.934  811.188    89.023  302.430 16.909  302.575 16.918  -0.1447144     23.91938 
1 1 1 -10 1  45 o 422.648  14.216  1573.72    104.913 1552.13    148.236 1595.40    148.504 417.776 20.321  423.652 20.075  -5.875763      28.56515 
1 1 1 -10 1  46 o 72.607   12.013  47.556     14.698  40.413     20.284  55.451     21.326  66.339  17.324  77.788  16.227  -11.44843      23.73642 
1 1 1 -10 1  47 o 88.857   12.974  70.973     19.536  71.993     23.627  68.768     34.739  88.941  15.792  86.035  22.770  2.905922       27.71025 
1 1 1 -10 1  48 o 344.055  18.024  1055.65    107.903 1055.65    107.903 0.0000     0.0000  344.055 18.024  ?       ?       0.000000       18.02428 
1 1 1 -10 1  49 o 405.322  16.183  1458.09    114.530 1469.25    140.245 1435.75    198.445 405.218 19.821  394.235 29.033  10.98297       35.15385 
1 1 1 -10 1  50 o 87.119   13.423  68.587     19.763  54.476     24.070  97.782     34.623  76.624  18.251  102.778 20.013  -26.15402      27.08563 
1 1 1 -10 1  51 o 133.891  14.774  160.894    33.963  160.894    33.963  0.0000     0.0000  133.891 14.774  ?       ?       0.000000       14.77360 
1 1 1 -10 1  52 o 279.574  13.404  692.369    65.432  676.918    79.987  723.624    113.762 274.855 16.747  280.854 23.412  -5.998688      28.78460 
1 1 1 -10 1  53 o 196.424  12.485  342.805    42.597  331.561    51.814  366.251    74.820  192.236 15.570  199.620 21.822  -7.383804      26.80696 
1 1 1 -10 1  54 f 198.649  12.400  350.905    42.797  333.168    51.970  388.275    75.435  192.523 15.594  205.477 21.337  -12.95341      26.42773 
1 1 1 -10 1  55 o 179.935  12.210  288.323    38.134  286.992    46.385  291.097    66.982  178.629 15.011  176.950 22.165  1.678955       26.77003 
1 1 1 -10 1  56 o 150.820  10.393  201.936    27.203  179.285    38.120  225.443    38.833  140.516 15.811  158.302 14.200  -17.78644      21.25195 
1 1 1 -10 1  57 o 91.393   11.994  75.405     18.678  84.767     26.273  65.838     26.560  95.783  16.293  83.542  18.677  12.24126       24.78449 
1 1 1 -10 1  58 o 145.308  10.678  188.085    26.902  201.289    38.038  174.870    38.052  149.018 14.815  138.353 16.050  10.66461       21.84251 
1 1 1 -10 1  59 o 105.379  11.671  99.966     21.115  107.893    29.317  91.422     30.436  108.171 16.005  98.601  18.354  9.570274       24.35220 
1 1 1 -10 1  60 o 204.254  11.097  372.145    39.430  362.429    55.839  381.808    55.686  199.199 16.194  204.755 15.695  -5.556168      22.55214 
1 1 1 -10 1  61 o 189.581  12.914  323.731    42.493  285.760    73.671  342.661    52.018  170.771 25.487  193.779 15.504  -23.00740      29.83237 
1 1 1 -10 1  62 o 76.488   16.217  55.237     20.987  44.085     35.027  61.482     26.213  69.353  23.880  79.934  19.051  -10.58080      30.54835 
1 1 1 -10 1  63 o 79.073   16.133  59.057     21.520  55.522     35.588  61.095     27.020  75.540  24.001  79.382  19.609  -3.842285      30.99296 
1 1 1 -10 1  64 o 61.739   16.776  36.307     18.556  14.675     31.870  47.401     22.823  53.337  21.731  70.093  18.411  -16.75614      28.48171 
1 1 1 -10 1  65 o 154.949  24.318  239.137    63.626  0.0000     0.0000  239.137    63.626  ?       ?       154.949 24.318  0.000000       24.31781 
1 1 1 -10 1  66 o 133.584  12.955  163.001    29.837  148.727    50.191  170.803    37.106  120.991 24.596  135.239 16.025  -14.24754      29.35589 
1 1 1 -10 1  67 o 46.325   16.220  18.291     16.193  36.425     26.677  7.7119     20.376  62.156  20.848  42.187  17.303  19.96925       27.09332 
1 1 1 -10 2  1  o 110.074  9.9473  106.906    18.912  75.780     26.422  139.600    27.080  91.358  17.195  125.586 12.516  -34.22774      21.26774 
1 1 1 -10 2  2  o 149.990  11.175  198.107    29.057  151.244    49.796  222.301    35.780  128.906 22.966  158.705 13.027  -29.79892      26.40307 
1 1 1 -10 2  3  o 342.988  13.957  1032.03    83.583  871.283    144.523 1112.82    102.456 312.049 26.784  355.820 16.491  -43.77112      31.45407 
1 1 1 -10 2  4  o 183.665  11.424  296.578    36.456  285.475    62.973  302.174    44.710  178.764 20.549  185.084 13.937  -6.319809      24.82927 
1 1 1 -10 2  5  o 73.290   19.559  48.975     25.495  0.0000     0.0000  48.975     25.495  ?       ?       73.290  19.559  0.000000       19.55897 
1 1 1 -10 2  6  o 479.905  21.932  2033.91    183.779 1970.97    259.962 2096.80    259.845 468.416 31.976  483.629 30.933  -15.21323      44.48906 
1 1 1 -10 2  7  o 429.829  19.872  1628.09    149.140 1628.09    149.140 0.0000     0.0000  429.829 19.872  ?       ?       0.000000       19.87170 
1 1 1 -10 2  8  o 569.361  24.583  2870.36    244.387 2870.36    244.387 0.0000     0.0000  569.361 24.583  ?       ?       0.000000       24.58254 
1 1 1 -10 2  9  o 239.775  15.295  506.677    63.699  506.677    63.699  0.0000     0.0000  239.775 15.295  ?       ?       0.000000       15.29463 
1 1 1 -10 2  10 o 154.784  14.029  211.812    37.504  211.812    37.504  0.0000     0.0000  154.784 14.029  ?       ?       0.000000       14.02923 
1 1 1 -10 2  11 o 400.465  19.133  1411.81    133.788 1411.81    133.788 0.0000     0.0000  400.465 19.133  ?       ?       0.000000       19.13337 
1 1 1 -10 2  12 o 229.741  14.816  464.980    59.118  464.980    59.118  0.0000     0.0000  229.741 14.816  ?       ?       0.000000       14.81632 
1 1 1 -10 2  13 o 616.429  26.151  3368.37    281.474 3368.37    281.474 0.0000     0.0000  616.429 26.151  ?       ?       0.000000       26.15128 
1 1 1 -10 2  14 o 257.688  12.731  581.822    57.282  581.348    70.203  582.765    99.084  256.867 15.728  255.990 22.393  0.8765717      27.36456 
1 1 1 -10 2  15 o 121.720  10.837  130.705    22.792  145.637    28.092  101.946    38.986  128.306 12.706  105.597 21.864  22.70886       25.28826 
1 1 1 -10 2  16 o 123.962  10.998  135.565    23.558  160.482    29.066  87.862     40.217  134.777 12.493  97.785  23.783  36.99110       26.86484 
1 1 1 -10 2  17 o 327.905  13.963  942.742    79.944  974.963    97.991  878.613    138.244 332.705 16.924  314.017 25.432  18.68814       30.54813 
1 1 1 -10 2  18 o 272.953  12.961  652.847    61.770  659.250    75.655  640.043    106.982 273.578 15.906  268.240 23.066  5.338379       28.01870 
1 1 1 -10 2  19 o 142.682  11.263  179.334    27.831  165.710    34.043  206.789    48.328  136.700 14.483  152.224 18.567  -15.52367      23.54795 
1 1 1 -10 2  20 o 376.062  15.146  1240.91    99.451  1241.97    121.813 1238.81    172.222 375.746 18.567  372.884 26.627  2.862579       32.46088 
1 1 1 -10 2  21 o 177.153  11.637  275.980    35.795  269.189    43.723  289.784    62.333  174.601 14.472  180.293 20.145  -5.692017      24.80441 
1 1 1 -10 2  22 o 635.791  18.929  3557.01    210.139 3470.68    242.637 3816.10    420.332 627.117 22.159  650.324 37.171  -23.20776      43.27479 
1 1 1 -10 2  23 o 635.127  21.847  3558.96    242.278 3612.59    296.767 3451.77    419.530 638.275 26.628  617.292 39.126  20.98291       47.32748 
1 1 1 -10 2  24 o 264.703  10.127  613.115    46.805  741.274    66.383  486.411    66.005  290.836 13.072  234.805 16.198  56.03032       20.81500 
1 1 1 -10 2  25 o 195.164  10.259  334.233    34.836  332.310    49.412  336.133    49.121  194.083 14.690  195.226 14.514  -1.143188      20.65038 
1 1 1 -10 2  26 f 226.234  10.543  447.964    41.648  483.389    59.013  412.811    58.786  234.305 14.496  216.291 15.672  18.01479       21.34817 
1 1 1 -10 2  27 o 521.749  16.072  2390.67    146.417 2525.21    207.173 2256.41    206.958 534.807 22.186  505.209 23.461  29.59775       32.28979 
1 1 1 -10 2  28 o 415.876  13.108  1515.96    95.182  1642.05    134.742 1390.36    134.474 432.092 17.859  397.341 19.383  34.75085       26.35596 
1 1 1 -10 2  29 o 194.420  10.268  331.738    34.732  332.130    49.269  331.350    48.971  194.012 14.652  193.792 14.579  0.2199860      20.66954 
1 1 1 -10 2  30 o 277.836  11.491  676.055    55.746  690.333    78.881  661.810    78.791  279.858 16.212  273.940 16.550  5.918274       23.16765 
1 1 1 -10 2  31 o 137.608  10.424  166.701    24.861  176.821    35.134  156.553    35.183  141.229 14.451  132.637 15.483  8.591385       21.17918 
1 1 1 -10 2  32 o 248.770  11.067  541.948    48.070  572.390    68.044  511.618    67.919  254.846 15.363  240.747 16.252  14.09953       22.36450 
1 1 1 -10 2  33 o 489.676  15.243  2105.88    130.327 2185.21    184.425 2026.76    184.194 497.428 21.234  478.844 22.030  18.58344       30.59744 
1 1 1 -10 2  34 o 632.732  18.832  3527.99    208.061 3879.36    416.183 3410.92    240.236 654.206 36.581  621.038 22.154  33.16791       42.76617 
1 1 1 -10 2  35 o 416.194  16.127  1523.00    117.195 1533.14    203.088 1517.94    143.498 413.657 28.288  414.756 19.815  -1.099548      34.53713 
1 1 1 -10 2  36 o 85.614   12.975  65.732     18.788  82.869     32.962  57.484     22.867  95.084  20.460  79.327  17.019  15.75672       26.61326 
1 1 1 -10 2  37 f 186.847  12.367  307.489    40.119  290.220    69.746  316.029    49.045  179.599 22.751  189.055 14.980  -9.456482      27.23995 
1 1 1 -10 2  38 o 347.344  14.069  1059.72    85.326  1228.82    148.196 975.863    104.361 371.492 22.959  332.191 18.060  39.30066       29.21117 
1 1 1 -10 2  39 o 483.375  17.527  2060.13    147.926 2171.76    256.468 2004.48    181.083 490.790 30.073  475.521 21.809  15.26938       37.14875 
1 1 1 -10 2  40 o 188.539  12.207  313.201    39.969  285.900    70.127  326.338    48.644  177.940 23.117  192.094 14.612  -14.15439      27.34794 
1 1 1 -10 2  41 o 412.579  15.576  1499.16    112.210 1614.87    194.628 1441.55    137.333 423.996 26.421  403.581 19.489  20.41504       32.83078 
1 1 1 -10 2  42 o 249.115  10.861  544.261    47.242  565.668    66.827  522.877    66.793  252.975 15.200  243.055 15.825  9.919785       21.94200 
1 1 1 -10 2  43 o 174.324  9.9729  267.262    30.230  261.179    42.740  273.352    42.763  171.637 14.394  175.679 14.059  -4.041565      20.12056 
1 1 1 -10 2  44 o 395.872  15.467  1382.92    106.913 1433.85    131.036 1281.51    184.915 402.119 18.663  375.403 28.421  26.71573       34.00086 
1 1 1 -10 2  45 o 158.684  11.810  222.530    32.488  238.839    39.790  189.918    56.267  164.031 14.028  143.947 23.173  20.08400       27.08799 
1 1 1 -10 2  46 o 397.077  15.829  1394.85    109.748 1452.09    134.460 1280.59    189.955 403.950 19.064  373.536 29.361  30.41403       35.00690 
1 1 1 -10 2  47 o 256.485  13.050  581.418    58.250  573.804    71.471  596.482    100.530 253.961 16.202  256.703 22.661  -2.741684      27.85751 
1 1 1 -10 2  48 o 205.637  12.196  373.901    43.594  379.789    53.542  362.321    75.087  206.610 14.942  199.646 21.899  6.963943       26.51151 
1 1 1 -10 2  49 o 213.721  12.247  404.144    45.511  371.728    55.286  472.289    80.159  204.077 15.634  228.565 20.297  -24.48726      25.61982 
1 1 1 -10 2  50 o 264.217  11.102  615.055    51.219  595.643    72.331  634.578    72.538  258.246 16.122  266.756 15.642  -8.509796      22.46276 
1 1 1 -10 2  51 o 80.329   11.374  58.014     15.508  58.918     20.723  56.862     23.380  80.112  15.374  78.259  17.543  1.852623       23.32644 
1 1 1 -10 2  52 o 194.359  10.429  333.865    35.263  322.986    49.404  345.164    50.347  189.916 15.021  196.439 14.787  -6.523117      21.07796 
1 1 1 -10 2  53 o 262.509  12.920  611.159    59.221  568.026    72.262  699.380    103.346 251.318 16.560  276.249 21.597  -24.93021      27.21557 
1 1 1 -10 2  54 o 171.153  11.770  260.566    34.962  232.189    42.478  320.163    61.558  160.464 15.348  187.147 19.106  -26.68306      24.50717 
1 1 1 -10 2  55 o 166.690  11.826  247.544    34.197  233.554    41.507  277.105    60.336  160.926 14.942  173.184 20.340  -12.25769      25.23895 
1 1 1 -10 2  56 o 91.908   13.467  76.842     20.971  81.302     25.351  67.176     37.324  93.853  16.046  83.668  24.184  10.18580       29.02304 
1 1 1 -10 2  57 o 231.370  12.978  479.044    52.219  456.607    63.898  524.157    90.606  224.228 16.435  236.690 22.182  -12.46121      27.60739 
1 1 1 -10 2  58 o 140.627  10.713  176.407    26.108  154.441    36.882  198.469    36.963  129.547 16.694  147.957 14.494  -18.40994      22.10757 
1 1 1 -10 2  59 o 113.750  12.870  117.147    25.112  105.849    30.555  140.661    44.080  106.664 16.975  121.251 21.613  -14.58707      27.48237 
1 1 1 -10 2  60 o 230.374  15.717  483.844    62.843  565.180    89.313  404.089    88.440  245.047 21.079  203.658 25.424  41.38861       33.02607 
1 1 1 -10 2  61 o 97.548   16.724  89.168     27.460  58.662     39.652  117.284    38.067  77.887  25.391  110.537 20.477  -32.65042      32.61889 
1 1 1 -10 2  62 o 36.023   14.568  5.6780     14.200  21.313     23.351  -3.4966    17.887  52.288  19.326  34.700  15.262  17.58750       24.62559 
1 1 1 -10 2  63 o 304.181  13.827  837.947    73.440  807.213    126.310 853.644    90.266  285.629 25.598  303.754 17.089  -18.12427      30.77771 
1 1 1 -10 2  64 o 277.797  13.095  697.743    63.517  598.726    77.137  906.274    111.942 253.409 17.541  307.937 20.944  -54.52856      27.31907 
1 1 1 -10 2  65 o 134.392  13.268  165.215    30.728  159.593    36.439  179.053    57.169  130.566 16.342  132.402 25.655  -1.836594      30.41756 
1 1 1 -10 2  66 o 55.962   17.049  29.631     18.161  32.681     20.944  20.384     36.465  58.688  18.382  57.521  23.316  1.167301       29.69087 
1 1 1 -10 2  67 o 153.361  12.929  215.353    34.299  183.344    58.764  231.892    42.240  132.292 26.365  157.586 15.554  -25.29395      30.61148 
1 1 1 -10 3  1  o 383.855  15.097  1294.09    101.187 1123.47    174.870 1379.97    124.066 353.879 28.544  395.901 17.948  -42.02167      33.71718 
1 1 1 -10 3  2  o 540.896  16.248  2571.76    153.450 2258.76    216.894 2885.43    217.128 504.691 24.613  571.389 21.763  -66.69748      32.85452 
1 1 1 -10 3  3  o 349.993  12.143  1073.48    74.206  888.919    104.711 1259.68    105.176 317.070 19.001  378.622 15.909  -61.55179      24.78204 
1 1 1 -10 3  4  o 262.496  12.395  603.907    56.811  538.976    69.380  736.037    98.971  247.129 16.168  288.269 19.783  -41.13982      25.54875 
1 1 1 -10 3  5  o 197.767  12.090  343.982    41.549  325.877    50.900  380.135    71.926  192.038 15.307  206.656 20.191  -14.61877      25.33741 
1 1 1 -10 3  6  o 496.137  17.943  2166.20    155.436 2006.65    190.281 2486.20    269.474 476.334 22.878  527.245 29.388  -50.91089      37.24345 
1 1 1 -10 3  7  o 372.666  14.694  1218.92    95.614  1110.14    117.055 1437.01    165.742 354.531 18.978  402.264 23.702  -47.73328      30.36351 
1 1 1 -10 3  8  o 267.112  16.213  629.154    75.261  633.576    106.613 624.761    106.259 266.695 23.123  264.801 23.216  1.894562       32.76708 
1 1 1 -10 3  9  o 286.424  13.157  719.226    65.800  630.487    113.664 763.955    80.697  265.663 24.790  294.517 15.749  -28.85480      29.36976 
1 1 1 -10 3  10 o 511.380  18.382  2301.60    164.130 2040.83    284.148 2432.17    201.064 475.620 34.449  524.788 21.943  -49.16782      40.84358 
1 1 1 -10 3  11 o 85.862   12.408  65.924     18.062  83.362     22.027  30.134     31.557  96.596  13.423  63.205  22.594  33.39082       26.28034 
1 1 1 -10 3  12 o 167.257  11.533  246.155    33.474  267.115    41.039  204.489    57.862  174.010 13.616  150.505 22.726  23.50539       26.49262 
1 1 1 -10 3  13 f 576.140  20.480  2926.61    206.021 2775.50    252.352 3228.61    356.760 559.453 25.833  598.993 34.253  -39.54028      42.90256 
1 1 1 -10 3  14 o 570.633  20.214  2870.06    201.402 2850.78    246.703 2908.60    348.733 567.319 24.905  567.934 35.342  -0.6147461     43.23555 
1 1 1 -10 3  15 o 441.293  13.864  1707.80    106.824 1684.81    151.069 1730.79    151.076 437.299 19.785  443.281 19.519  -5.981781      27.79260 
1 1 1 -10 3  16 o 574.016  16.592  2895.10    166.295 2951.62    235.177 2838.58    235.176 577.797 23.311  566.482 23.776  11.31519       33.29717 
1 1 1 -10 3  17 o 383.812  12.604  1290.85    84.464  1305.38    119.427 1276.31    119.474 385.267 17.753  380.921 17.963  4.346344       25.25558 
1 1 1 -10 3  18 o 298.466  11.650  780.176    60.715  727.297    85.796  833.223    85.933  287.138 17.192  307.599 16.055  -20.46091      23.52278 
1 1 1 -10 3  19 o 162.114  9.6515  230.751    27.196  257.007    31.473  153.362    54.035  171.027 10.592  129.528 24.795  41.49879       26.96227 
1 1 1 -10 3  20 o 424.951  13.954  1583.70    103.539 1624.56    119.607 1461.55    206.817 430.103 15.927  404.067 29.518  26.03644       33.54042 
1 1 1 -10 3  21 o 603.981  17.573  3207.76    185.322 3340.64    214.038 2809.83    370.401 615.739 19.908  556.648 38.343  59.09125       43.20323 
1 1 1 -10 3  22 o 825.400  23.443  6024.52    337.867 6137.25    390.168 5686.58    675.559 831.426 26.876  783.446 49.641  47.97986       56.44968 
1 1 1 -10 3  23 o 506.418  16.060  2252.61    142.010 2239.34    164.000 2292.38    283.914 504.399 18.621  505.261 32.352  -0.8619995     37.32791 
1 1 1 -10 3  24 f 320.626  11.771  900.452    65.899  941.167    93.336  859.981    93.055  327.298 16.332  312.306 17.130  14.99234       23.66808 
1 1 1 -10 3  25 o 407.848  13.587  1458.65    96.761  1525.90    136.962 1391.63    136.718 416.297 18.842  397.403 19.703  18.89438       27.26251 
1 1 1 -10 3  26 o 772.162  22.356  5268.49    301.416 5345.51    426.367 5191.54    426.166 773.187 31.582  761.706 32.043  11.48102       44.99046 
1 1 1 -10 3  27 o 547.293  16.772  2633.09    160.275 2743.12    226.802 2523.34    226.525 556.826 23.327  533.752 24.306  23.07349       33.68898 
1 1 1 -10 3  28 o 319.181  12.030  892.635    67.047  949.837    94.993  835.849    94.646  328.300 16.626  307.723 17.689  20.57742       24.27596 
1 1 1 -10 3  29 o 391.335  13.543  1343.22    92.537  1346.51    131.006 1339.95    130.728 390.900 19.194  389.945 19.200  0.9548950      27.14863 
1 1 1 -10 3  30 o 463.538  14.861  1886.62    120.279 1962.12    170.337 1811.54    169.864 471.463 20.692  452.818 21.484  18.64505       29.82806 
1 1 1 -10 3  31 o 233.443  10.890  477.266    44.390  485.869    63.125  468.851    62.436  234.659 15.494  230.477 15.607  4.182175       21.99138 
1 1 1 -10 3  32 o 664.713  19.571  3897.73    227.145 3951.10    321.402 3844.47    321.061 665.833 27.645  656.613 28.004  9.220520       39.35059 
1 1 1 -10 3  33 o 243.289  12.914  520.609    54.664  569.684    94.779  496.147    66.915  252.893 21.674  236.965 16.271  15.92844       27.10149 
1 1 1 -10 3  34 o 261.552  10.976  599.323    50.125  544.127    99.935  617.878    57.940  246.623 23.491  265.432 12.502  -18.80901      26.61049 
1 1 1 -10 3  35 o 214.394  12.439  404.491    46.364  470.631    81.118  372.401    56.503  229.872 20.423  205.153 15.898  24.71849       25.88104 
1 1 1 -10 3  36 o 607.275  20.756  3262.94    220.090 3681.64    381.553 3054.16    269.432 636.870 34.440  585.145 26.371  51.72504       43.37639 
1 1 1 -10 3  37 o 156.780  12.085  216.879    32.828  309.378    58.434  174.222    39.682  186.385 18.187  139.682 16.595  46.70288       24.62029 
1 1 1 -10 3  38 o 309.061  13.954  839.487    75.303  916.175    131.020 801.659    92.020  320.079 23.610  300.934 17.589  19.14493       29.44141 
1 1 1 -10 3  39 o 50.608   14.295  23.114     13.189  -1.2795    25.656  31.876     15.376  43.742  18.759  59.051  14.910  -15.30894      23.96285 
1 1 1 -10 3  40 o 74.931   15.003  51.171     18.944  56.157     28.347  47.147     25.467  78.159  20.513  71.824  19.710  6.334778       28.44754 
1 1 1 -10 3  41 o 260.330  12.763  595.613    58.014  644.608    71.211  498.924    100.037 270.045 15.164  234.928 24.760  35.11655       29.03458 
1 1 1 -10 3  42 o 364.395  12.895  1167.73    82.045  1163.33    115.991 1172.13    116.067 361.897 18.417  363.287 18.357  -1.389435      26.00320 
1 1 1 -10 3  43 o 174.001  10.132  266.505    30.649  238.274    43.169  295.200    43.522  163.606 15.289  182.558 13.755  -18.95193      20.56553 
1 1 1 -10 3  44 f 286.315  13.378  722.284    66.882  716.436    115.972 725.198    81.867  281.464 23.821  285.764 16.477  -4.300873      28.96469 
1 1 1 -10 3  45 o 287.462  16.588  734.847    82.906  668.484    116.795 802.248    117.704 271.004 24.963  298.043 22.791  -27.03860      33.80160 
1 1 1 -10 3  46 f 151.945  11.632  204.371    30.625  185.894    53.015  213.625    37.518  142.320 22.047  154.895 14.024  -12.57500      26.12951 
1 1 1 -10 3  47 o 416.432  15.460  1537.81    112.410 1502.30    194.695 1555.57    137.676 403.875 27.778  417.234 18.898  -13.35950      33.59650 
1 1 1 -10 3  48 o 217.130  12.263  417.304    46.303  360.194    80.123  445.941    56.737  197.969 23.647  223.854 14.596  -25.88489      27.78887 
1 1 1 -10 3  49 o 318.986  11.747  897.823    65.426  915.466    92.477  880.142    92.577  320.020 16.607  313.608 16.970  6.412262       23.74360 
1 1 1 -10 3  50 o 271.660  11.163  651.021    52.952  603.385    74.759  698.979    75.012  259.427 16.591  279.783 15.414  -20.35611      22.64630 
1 1 1 -10 3  51 o 16.492   7.7682  -6.3998    5.7822  -4.7487    7.3570  -9.0675    9.3516  20.445  9.3207  21.512  10.052  -1.067480      13.70809 
1 1 1 -10 3  52 o 27.539   11.172  2.7694     8.3784  3.5424     10.585  1.4730     13.709  30.937  12.555  33.148  13.942  -2.211451      18.76194 
1 1 1 -10 3  53 o 77.269   13.504  54.596     17.556  43.651     20.508  84.622     33.966  68.336  17.200  94.518  21.114  -26.18159      27.23257 
1 1 1 -10 3  54 o 74.034   15.947  51.027     20.005  47.621     26.406  55.616     30.648  71.199  20.268  76.652  21.841  -5.452309      29.79620 
1 1 1 -10 3  55 o 73.173   14.814  49.639     18.279  73.008     29.370  34.865     23.352  87.765  19.654  61.828  19.418  25.93707       27.62866 
1 1 1 -10 3  56 o 233.832  12.724  489.090    51.754  520.003    89.423  473.521    63.462  235.689 21.983  228.483 16.008  7.206268       27.19429 
1 1 1 -10 3  57 o 133.862  12.073  160.945    27.914  125.007    47.777  179.571    34.396  112.836 24.915  140.732 14.191  -27.89503      28.67351 
1 1 1 -10 3  58 o 84.534   14.243  65.935     20.275  92.050     34.223  51.812     25.168  97.888  20.671  73.590  19.335  24.29778       28.30451 
1 1 1 -10 3  59 o 115.885  12.843  121.794    25.550  101.597    30.951  165.003    45.269  103.982 17.680  131.814 20.322  -27.83204      26.93650 
1 1 1 -10 3  60 o 92.428   13.911  78.655     21.755  76.084     26.160  84.420     39.170  89.676  17.334  92.024  24.094  -2.347946      29.68160 
1 1 1 -10 3  61 o 192.767  12.382  335.008    41.456  287.738    50.290  435.248    73.232  176.422 16.518  214.838 19.743  -38.41656      25.74150 
1 1 1 -10 3  62 o 143.671  15.553  190.744    38.393  126.009    52.654  264.234    56.101  110.178 27.466  166.796 19.639  -56.61726      33.76529 
1 1 1 -10 3  63 o 80.390   15.786  61.167     21.368  36.831     34.722  76.002     27.110  64.813  23.628  88.912  18.078  -24.09870      29.75064 
1 1 1 -10 3  64 o 106.655  13.928  105.147    25.318  83.715     41.789  117.575    31.823  89.951  25.459  111.516 16.870  -21.56490      30.54148 
1 1 1 -10 3  65 o 84.262   12.554  65.565     17.907  70.105     23.659  59.478     27.398  85.671  16.414  77.430  20.092  8.240654       25.94383 
1 1 1 -10 3  66 f 67.023   14.116  42.598     15.998  51.343     20.879  30.163     24.897  72.791  16.772  57.598  20.116  15.19344       26.19065 
1 1 1 -10 4  1  o 124.760  11.786  137.620    25.370  102.855    43.720  155.270    31.151  105.620 24.223  132.317 13.681  -26.69749      27.81908 
1 1 1 -10 4  2  o 259.238  12.867  589.421    58.243  516.664    100.552 626.157    71.449  240.137 24.316  266.492 15.421  -26.35583      28.79395 
1 1 1 -10 4  3  o 165.701  14.522  242.913    41.593  229.398    58.445  256.783    59.206  159.706 21.505  169.349 20.436  -9.642242      29.66626 
1 1 1 -10 4  4  o 236.870  15.165  494.879    62.393  402.672    87.847  588.743    88.633  211.776 24.191  257.566 19.861  -45.78989      31.29972 
1 1 1 -10 4  5  o 200.026  14.802  353.254    51.329  331.821    72.101  375.280    73.091  192.539 21.833  205.148 20.687  -12.60896      30.07701 
1 1 1 -10 4  6  o 138.675  11.531  169.639    27.668  153.727    33.659  202.793    48.585  131.476 14.927  150.548 18.899  -19.07149      24.08298 
1 1 1 -10 4  7  o 148.179  10.166  193.115    26.144  191.716    36.891  194.527    37.055  147.069 14.557  148.161 14.510  -1.092194      20.55369 
1 1 1 -10 4  8  o 551.931  16.761  2679.12    161.526 2595.71    228.423 2762.55    228.441 541.136 24.175  558.515 23.425  -17.37885      33.66259 
1 1 1 -10 4  9  o 410.821  13.518  1480.47    96.965  1502.38    137.158 1458.58    137.100 412.891 19.025  406.773 19.303  6.118378       27.10254 
1 1 1 -10 4  10 o 386.617  14.958  1312.51    100.978 1408.94    175.203 1264.55    123.566 397.661 25.365  378.878 18.678  18.78253       31.50024 
1 1 1 -10 4  11 o 621.532  18.319  3401.67    198.808 3300.05    281.153 3503.30    281.160 609.365 26.424  628.177 25.634  -18.81213      36.81466 
1 1 1 -10 4  12 o 318.954  11.833  891.335    65.898  886.929    93.235  895.733    93.155  317.137 16.898  318.730 16.798  -1.593079      23.82674 
1 1 1 -10 4  13 o 229.887  12.050  464.345    48.199  343.793    82.818  526.090    59.271  195.424 24.831  244.482 13.942  -49.05885      28.47791 
1 1 1 -10 4  14 o 197.302  11.958  342.327    41.002  303.899    70.592  361.892    50.370  184.096 22.424  202.572 14.333  -18.47592      26.61349 
1 1 1 -10 4  15 o 104.983  11.723  97.745     21.122  87.644     35.995  103.050    26.085  97.741  21.661  107.443 14.256  -9.702126      25.93140 
1 1 1 -10 4  16 o 410.879  16.039  1483.45    115.069 1462.71    140.987 1524.83    199.145 407.304 19.824  413.039 27.774  -5.735352      34.12369 
1 1 1 -10 4  17 o 582.289  20.585  2991.81    209.293 2890.34    256.378 3194.52    362.371 570.633 25.731  594.809 35.046  -24.17615      43.47766 
1 1 1 -10 4  18 o 369.167  14.657  1196.27    94.476  1218.48    115.830 1152.13    163.297 372.097 17.828  359.263 26.213  12.83450       31.70078 
1 1 1 -10 4  19 o 340.499  17.508  1022.69    103.740 1155.06    146.848 890.813    146.573 360.499 23.457  315.478 26.865  45.02036       35.66411 
1 1 1 -10 4  20 o 376.725  19.128  1253.69    125.406 1105.31    177.430 1401.80    177.273 350.889 29.225  396.584 25.739  -45.69559      38.94411 
1 1 1 -10 4  21 f 305.589  17.374  824.169    92.321  752.702    130.824 895.065    130.300 289.994 26.117  317.073 23.707  -27.07895      35.27204 
1 1 1 -10 4  22 o 477.308  19.130  2007.73    159.429 2466.22    225.868 1552.49    225.067 527.424 24.526  415.412 31.258  112.0121       39.73186 
1 1 1 -10 4  23 o 361.808  15.876  1150.33    100.295 1475.54    142.309 829.380    141.374 409.008 19.927  304.257 26.888  104.7505       33.46698 
1 1 1 -10 4  24 o 421.365  19.192  1565.04    141.199 1762.63    199.971 1368.58    199.400 444.729 25.864  390.473 29.463  54.25531       39.20473 
1 1 1 -10 4  25 o 167.197  13.391  246.770    38.765  314.717    55.488  181.987    54.181  188.385 17.054  141.724 22.658  46.66129       28.35873 
1 1 1 -10 4  26 o 289.812  15.489  740.075    78.094  897.343    110.799 584.819    110.088 318.272 20.040  255.519 24.995  62.75365       32.03674 
1 1 1 -10 4  27 o 307.835  16.235  835.549    86.957  1001.11    123.270 671.560    122.682 335.943 21.123  273.666 25.986  62.27731       33.48785 
1 1 1 -10 4  28 o 351.223  18.141  1089.67    110.871 1156.45    156.901 1023.07    156.690 359.965 25.121  337.961 26.772  22.00366       36.71228 
1 1 1 -10 4  29 o 599.947  25.760  3201.93    269.849 3296.67    381.736 3107.29    381.513 602.186 36.477  583.838 37.625  18.34814       52.40428 
1 1 1 -10 4  30 o 267.305  16.262  630.897    75.538  599.995    106.923 661.688    106.732 258.949 23.918  272.368 22.648  -13.41861      32.93964 
1 1 1 -10 4  31 o 204.480  15.015  369.447    53.236  371.696    75.857  367.264    74.729  203.808 21.648  202.621 21.448  1.186859       30.47389 
1 1 1 -10 4  32 o 211.583  15.389  395.736    56.462  332.511    80.183  457.922    79.521  191.921 24.485  226.707 20.304  -34.78624      31.80852 
1 1 1 -10 4  33 o ?        ?       -433.1314  5.0873  0.0000     0.0000  -433.1314  5.0873  ?       ?       ?       ?       0.000000       ?        
1 1 1 -10 4  34 o 406.094  15.987  1451.98    113.362 1092.23    195.881 1633.15    139.006 346.188 32.797  430.068 18.511  -83.87988      37.66000 
1 1 1 -10 4  35 o 169.604  15.789  255.434    46.220  297.845    63.569  207.867    67.321  182.326 20.313  150.390 26.611  31.93655       33.47783 
1 1 1 -10 4  36 o 36.145   14.162  6.7421     13.007  -13.2485   21.609  18.100     16.288  35.261  16.036  47.437  16.287  -12.17562      22.85674 
1 1 1 -10 4  37 o 191.328  11.466  322.328    38.127  335.641    65.265  315.431    46.977  193.719 19.563  188.803 14.358  4.915955       24.26630 
1 1 1 -10 4  38 o 312.185  13.042  856.706    71.092  805.490    122.722 882.574    87.217  299.510 23.659  316.361 15.789  -16.85086      28.44378 
1 1 1 -10 4  39 o 91.259   10.497  74.002     16.421  71.065     33.783  74.910     18.791  87.633  22.086  91.574  12.044  -3.941032      25.15672 
1 1 1 -10 4  40 o 126.847  9.6631  141.884    21.241  167.130    43.418  133.940    24.355  136.046 18.778  122.966 11.476  13.07995       22.00737 
1 1 1 -10 4  41 o 27.436   10.424  4.6207     6.8932  23.060     18.534  1.6606     7.4258  52.326  17.374  25.306  10.420  27.02085       20.25919 
1 1 1 -10 4  42 o 361.981  14.340  1156.46    90.636  1188.08    157.205 1140.71    110.929 362.142 25.015  358.486 17.722  3.655457       30.65618 
1 1 1 -10 4  43 o 79.948   10.921  57.204     14.846  49.432     21.153  64.749     20.842  73.222  16.890  84.424  14.671  -11.20272      22.37187 
1 1 1 -10 4  44 o 229.797  10.721  464.309    43.016  457.153    60.778  471.492    60.891  226.655 15.449  230.258 15.231  -3.602905      21.69518 
1 1 1 -10 4  45 o 322.474  11.957  916.593    67.326  832.382    95.055  1001.37    95.372  305.006 17.927  335.699 16.271  -30.69266      24.21014 
1 1 1 -10 4  46 o 270.271  11.277  643.627    53.218  626.959    74.896  660.625    75.632  264.969 16.267  272.116 15.988  -7.147064      22.80867 
1 1 1 -10 4  47 o 88.433   12.408  70.397     18.632  61.465     29.551  76.291     24.005  81.024  20.786  91.403  15.601  -10.37900      25.98973 
1 1 1 -10 4  48 o 173.596  11.892  267.447    35.829  240.809    61.186  281.347    44.199  161.389 22.309  177.414 14.392  -16.02461      26.54891 
1 1 1 -10 4  49 o 109.769  12.299  107.925    23.168  125.615    39.058  98.322     28.777  116.386 19.937  103.667 16.447  12.71869       25.84549 
1 1 1 -10 4  50 o 172.597  11.841  264.873    35.469  289.831    60.718  251.944    43.701  177.774 19.902  167.357 15.118  10.41684       24.99301 
1 1 1 -10 4  51 o 84.394   16.954  66.202     24.116  0.0000     0.0000  66.202     24.116  ?       ?       84.394  16.954  0.000000       16.95437 
1 1 1 -10 4  52 o 99.209   12.180  88.635     20.656  91.499     35.013  87.105     25.583  98.204  21.052  97.424  15.563  0.7794571      26.17950 
1 1 1 -10 4  53 o 93.266   12.780  78.828     20.264  74.598     34.121  81.133     25.187  88.119  22.190  93.741  15.960  -5.621399      27.33316 
1 1 1 -10 4  54 o 29.900   13.243  -4.1549    13.696  6.7180     16.500  -28.2525   24.563  39.021  15.731  33.197  15.748  5.824337       22.25886 
1 1 1 -10 4  55 o 62.494   15.053  36.562     16.230  30.820     19.157  51.168     30.551  57.798  17.488  73.352  22.060  -15.55347      28.15111 
1 1 1 -10 4  56 o 60.549   15.681  34.444     16.710  31.074     19.557  43.557     32.160  57.980  17.698  68.812  22.888  -10.83230      28.93189 
1 1 1 -10 4  57 o 50.747   14.578  23.851     13.600  30.992     18.376  15.204     20.222  57.643  17.058  46.932  17.848  10.71067       24.68861 
1 1 1 -10 4  58 o 38.421   15.021  8.6171     14.608  0.0000     0.0000  8.6171     14.608  ?       ?       38.421  15.021  0.000000       15.02119 
1 1 1 -10 4  59 o 201.410  14.866  370.581    51.909  0.0000     0.0000  370.581    51.909  ?       ?       201.410 14.866  0.000000       14.86559 
1 1 1 -10 4  60 o 356.440  12.580  1144.11    78.295  1114.43    110.681 1173.85    110.769 345.420 18.418  355.143 17.921  -9.723358      25.69759 
1 1 1 -10 4  61 o 45.477   14.198  18.813     12.506  22.599     15.866  12.602     20.320  49.875  16.045  45.090  17.691  4.785378       23.88355 
1 1 1 -10 4  62 o 47.164   14.770  20.358     13.522  12.457     18.628  29.158     19.659  43.776  17.005  55.945  17.845  -12.16866      24.64991 
1 1 1 -10 4  63 o 61.134   16.306  35.907     17.726  35.907     17.726  0.0000     0.0000  61.134  16.306  ?       ?       0.000000       16.30555 
1 1 1 -10 4  64 o 96.304   16.008  88.051     25.973  88.051     25.973  0.0000     0.0000  96.304  16.008  ?       ?       0.000000       16.00797 
1 1 1 -10 4  65 o 42.921   15.555  14.902     15.017  14.902     15.017  0.0000     0.0000  42.921  15.555  ?       ?       0.000000       15.55533 
1 1 1 -10 5  1  o 91.280   10.501  73.947     16.432  65.091     23.533  82.372     22.954  84.560  16.531  95.826  14.144  -11.26662      21.75583 
1 1 1 -10 5  2  o 299.912  11.590  788.516    60.693  798.426    85.943  778.657    85.724  300.731 16.429  296.939 16.600  3.791992       23.35568 
1 1 1 -10 5  3  o 541.287  19.407  2587.20    183.421 2473.59    224.596 2814.70    317.830 527.546 24.383  557.905 32.770  -30.35980      40.84621 
1 1 1 -10 5  4  o 322.982  14.090  916.163    79.460  869.201    97.192  1010.83    137.989 313.545 17.826  336.670 23.623  -23.12521      29.59443 
1 1 1 -10 5  5  f 440.918  16.892  1711.68    130.050 1672.40    159.235 1790.39    225.378 434.838 20.972  446.393 29.074  -11.55463      35.84893 
1 1 1 -10 5  6  o 314.697  12.335  868.488    67.780  856.755    95.969  880.167    95.742  311.333 17.727  315.633 17.440  -4.300476      24.86793 
1 1 1 -10 5  7  o 379.862  12.767  1265.76    84.678  1178.32    119.730 1353.27    119.775 365.013 18.850  391.956 17.501  -26.94217      25.72196 
1 1 1 -10 5  8  o 382.373  12.821  1282.56    85.597  1261.82    121.047 1303.30    121.059 378.332 18.324  384.560 18.029  -6.228210      25.70611 
1 1 1 -10 5  9  o 89.423   10.732  71.042     16.422  54.766     23.372  86.912     23.079  77.334  17.692  98.565  13.787  -21.23133      22.42977 
1 1 1 -10 5  10 f 425.411  14.004  1588.86    104.019 1433.42    147.059 1744.49    147.150 402.131 21.017  444.726 18.950  -42.59454      28.29859 
1 1 1 -10 5  11 o 472.989  14.931  1965.58    123.314 1698.43    174.229 2233.74    174.555 437.234 22.901  502.994 19.875  -65.76004      30.32285 
1 1 1 -10 5  12 o 567.638  17.425  2837.36    172.701 2564.79    244.166 3110.25    244.308 536.851 26.048  592.183 23.628  -55.33252      35.16729 
1 1 1 -10 5  13 o 274.419  11.243  659.810    53.872  608.218    75.905  712.174    76.471  262.396 16.654  284.234 15.467  -21.83810      22.72799 
1 1 1 -10 5  14 o 137.364  10.035  166.077    23.903  148.290    33.607  184.287    34.005  129.031 15.209  144.271 13.662  -15.24068      20.44372 
1 1 1 -10 5  15 o 152.411  11.652  204.755    30.772  203.465    52.787  205.420    37.874  150.404 20.645  152.275 14.416  -1.871506      25.18016 
1 1 1 -10 5  16 o 613.410  21.375  3327.62    228.944 3276.00    280.493 3430.67    396.274 606.557 26.484  613.960 37.140  -7.402344      45.61570 
1 1 1 -10 5  17 o 564.164  20.070  2810.56    197.704 2833.46    242.259 2764.91    342.089 564.865 24.562  551.817 35.696  13.04865       43.32998 
1 1 1 -10 5  18 o 478.585  31.580  2064.68    262.417 0.0000     0.0000  2064.68    262.417 ?       ?       478.585 31.580  0.000000       31.58050 
1 1 1 -10 5  19 o 504.550  32.805  2299.83    287.433 0.0000     0.0000  2299.83    287.433 ?       ?       504.550 32.805  0.000000       32.80467 
1 1 1 -10 5  20 o 314.344  24.670  882.920    134.318 882.920    134.318 0.0000     0.0000  314.344 24.670  ?       ?       0.000000       24.66993 
1 1 1 -10 5  21 o 408.868  15.794  1470.09    112.755 1483.99    138.249 1442.49    194.870 410.064 19.308  401.012 28.007  9.052094       34.01738 
1 1 1 -10 5  22 o 261.748  10.558  600.099    48.255  669.873    55.898  395.995    95.604  276.455 11.580  209.182 26.791  67.27240       29.18621 
1 1 1 -10 5  23 o 269.845  11.124  638.058    52.414  657.746    60.692  580.294    103.960 273.824 12.694  254.661 23.650  19.16356       26.84123 
1 1 1 -10 5  24 o 119.259  9.9086  125.390    20.446  124.797    23.859  127.029    39.674  118.752 11.657  118.360 19.904  0.3919373      23.06586 
1 1 1 -10 5  25 o 572.920  16.693  2890.20    166.994 2917.64    236.538 2862.94    235.795 573.191 23.634  567.731 23.786  5.460571       33.53150 
1 1 1 -10 5  26 o 738.738  20.813  4829.17    268.466 5071.41    379.967 4587.69    379.369 752.360 28.924  714.622 30.403  37.73755       41.96386 
1 1 1 -10 5  27 o 200.850  9.8542  353.284    34.559  413.189    50.184  299.254    47.660  216.529 13.339  183.885 14.974  32.64397       20.05317 
1 1 1 -10 5  28 o 493.452  15.050  2141.60    129.671 2271.57    183.846 2012.92    182.923 506.512 20.787  476.407 21.990  30.10431       30.26031 
1 1 1 -10 5  29 o 105.427  11.302  98.558     20.480  76.288     31.741  114.443    26.807  91.081  20.458  113.302 13.838  -22.22146      24.69872 
1 1 1 -10 5  30 o 160.441  9.8269  226.321    27.396  282.096    40.839  180.683    36.942  178.740 13.179  142.523 15.073  36.21712       20.02210 
1 1 1 -10 5  31 o 426.993  13.567  1602.25    101.148 1691.21    143.758 1515.04    142.341 437.361 18.825  413.707 19.705  23.65378       27.25171 
1 1 1 -10 5  32 f 96.214   16.783  83.969     27.169  40.883     40.917  117.944    36.335  72.407  25.744  114.018 18.914  -41.61086      31.94504 
1 1 1 -10 5  33 o 54.782   13.395  27.431     12.706  22.307     26.836  28.912     14.425  56.230  20.731  56.271  14.567  -0.4112625E-01 25.33728 
1 1 1 -10 5  34 o 265.086  13.099  617.763    60.628  625.407    104.849 613.923    74.311  263.898 22.984  263.288 16.244  0.6102600      28.14452 
1 1 1 -10 5  35 o 63.457   13.668  36.782     14.697  37.511     26.051  36.442     17.801  65.277  20.511  63.065  16.108  2.211620       26.07983 
1 1 1 -10 5  36 o 48.846   13.995  21.501     12.549  4.9236     22.790  28.714     15.034  44.034  18.206  56.107  15.040  -12.07361      23.61448 
1 1 1 -10 5  37 o 202.605  10.030  360.093    35.484  353.889    71.130  362.149    40.942  198.262 20.860  202.692 11.617  -4.430206      23.87672 
1 1 1 -10 5  38 o 201.572  10.276  357.547    36.046  313.265    71.987  372.365    41.642  185.744 22.666  205.489 11.654  -19.74425      25.48672 
1 1 1 -10 5  39 o 197.293  11.892  343.661    40.776  0.0000     0.0000  343.661    40.776  ?       ?       197.293 11.892  0.000000       11.89214 
1 1 1 -10 5  40 o 138.095  11.605  168.962    27.723  0.0000     0.0000  168.962    27.723  ?       ?       138.095 11.605  0.000000       11.60519 
1 1 1 -10 5  41 o 118.014  12.118  123.969    24.617  0.0000     0.0000  123.969    24.617  ?       ?       118.014 12.118  0.000000       12.11838 
1 1 1 -10 5  42 o 212.880  15.756  404.372    58.151  0.0000     0.0000  404.372    58.151  ?       ?       212.880 15.756  0.000000       15.75621 
1 1 1 -10 5  43 o 378.164  17.016  1274.90    112.360 0.0000     0.0000  1274.90    112.360 ?       ?       378.164 17.016  0.000000       17.01641 
1 1 1 -10 5  44 o 243.110  23.289  542.186    97.648  0.0000     0.0000  542.186    97.648  ?       ?       243.110 23.289  0.000000       23.28867 
1 1 1 -10 5  45 o 266.008  12.846  626.376    59.664  563.243    72.511  758.726    104.987 250.559 16.669  288.810 20.962  -38.25104      26.78170 
1 1 1 -10 5  46 o 96.265   12.158  83.230     19.979  79.318     23.346  93.935     38.621  93.312  14.825  99.585  22.714  -6.273102      27.12366 
1 1 1 -10 5  47 o 129.839  9.9666  149.453    22.423  128.991    31.141  171.485    32.312  119.288 15.304  138.288 13.556  -18.99981      20.44470 
1 1 1 -10 5  48 o 65.739   11.665  39.365     12.900  44.970     17.606  32.868     18.954  69.691  14.919  59.723  17.226  9.968174       22.78786 
1 1 1 -10 5  49 o 183.000  11.922  298.268    37.888  259.556    45.587  384.741    68.132  169.456 15.582  204.875 19.272  -35.41902      24.78332 
1 1 1 -10 5  50 o 77.356   16.634  55.922     21.800  39.794     27.683  82.247     35.369  66.099  21.186  92.599  22.169  -26.49944      30.66501 
1 1 1 -10 5  51 o 133.403  11.922  159.440    27.477  149.509    32.912  182.285    49.918  128.200 14.986  139.154 21.216  -10.95432      25.97442 
1 1 1 -10 5  52 o 225.275  10.499  449.924    41.296  436.408    58.111  463.714    58.697  219.538 15.254  226.501 14.925  -6.963089      21.34136 
1 1 1 -10 5  53 o ?        ?       -27.9895   3.4745  -1.2586    10.666  -31.1627   3.6750  27.611  11.970  ?       ?       0.000000       11.96953 
1 1 1 -10 5  54 o 174.570  12.014  273.437    36.398  251.061    63.031  284.632    44.583  161.646 22.979  177.027 14.552  -15.38065      27.19907 
1 1 1 -10 5  55 o 93.095   12.523  78.972     19.839  97.523     34.254  69.608     24.336  100.714 20.182  85.912  16.825  14.80161       26.27558 
1 1 1 -10 5  56 o 273.372  12.755  671.911    60.882  568.131    105.713 723.418    74.473  240.196 25.600  281.590 15.203  -41.39398      29.77411 
1 1 1 -10 5  57 o 205.290  15.266  386.427    54.330  404.315    78.076  369.633    75.651  204.755 22.194  195.378 22.592  9.377014       31.66959 
1 1 1 -10 5  58 o 70.199   16.200  46.989     19.453  59.766     30.795  38.505     25.093  77.727  21.805  63.699  20.145  14.02796       29.68607 
1 1 1 -10 5  59 o 43.448   13.834  16.984     11.819  27.825     16.257  4.8305     17.213  54.371  16.032  38.139  15.800  16.23207       22.50875 
1 1 1 -10 5  60 o 54.986   13.625  28.563     13.015  38.671     16.870  13.703     20.454  63.647  15.357  45.695  17.800  17.95168       23.50880 
1 1 1 -10 5  61 o 53.149   14.032  26.769     13.214  12.781     16.789  49.539     21.421  42.624  16.250  71.421  17.349  -28.79703      23.77113 
1 1 1 -10 5  62 o 130.069  10.254  152.594    23.099  137.167    32.315  168.712    33.030  120.724 15.702  134.873 14.241  -14.14862      21.19769 
1 1 1 -10 5  63 o 34.074   12.438  8.8634     9.6257  3.8050     13.276  14.470     13.977  33.561  13.887  41.961  15.033  -8.399441      20.46543 
1 1 1 -10 6  1  o 296.866  10.811  772.636    56.039  880.354    79.391  665.670    79.113  316.377 14.372  274.286 16.597  42.09058       21.95454 
1 1 1 -10 6  2  f 540.452  16.049  2573.38    151.449 2547.88    214.183 2598.88    214.180 535.252 22.917  540.682 22.687  -5.429504      32.24743 
1 1 1 -10 6  3  o 399.699  15.561  1406.62    108.601 1281.88    132.807 1658.39    188.677 379.991 20.088  430.370 25.218  -50.37875      32.24083 
1 1 1 -10 6  4  o 340.800  14.564  1021.46    86.664  993.996    106.003 1076.83    150.501 335.025 18.189  346.603 25.037  -11.57782      30.94631 
1 1 1 -10 6  5  o 141.541  11.964  177.001    29.291  174.277    35.715  182.597    51.196  139.991 14.837  142.020 21.302  -2.029160      25.96015 
1 1 1 -10 6  6  o 321.279  11.217  905.020    62.925  921.358    89.154  888.802    88.825  323.488 15.784  317.274 16.087  6.214233       22.53690 
1 1 1 -10 6  7  o 280.446  11.015  689.467    53.939  743.825    76.468  635.636    76.096  290.379 15.134  268.135 16.331  22.24365       22.26557 
1 1 1 -10 6  8  o 208.408  9.4956  380.344    34.554  384.729    49.214  376.080    48.527  208.844 13.570  206.480 13.535  2.364578       19.16565 
1 1 1 -10 6  9  o 520.003  15.127  2378.83    137.347 2180.84    194.191 2577.02    194.285 495.633 22.439  539.470 20.626  -43.83701      30.47844 
1 1 1 -10 6  10 o 273.028  11.318  653.585    53.956  584.226    76.297  722.976    76.314  256.881 17.108  286.250 15.324  -29.36865      22.96765 
1 1 1 -10 6  11 o 226.527  10.519  449.647    41.607  417.410    58.746  482.092    58.936  217.234 15.592  233.730 14.513  -16.49583      21.30069 
1 1 1 -10 6  12 o 344.807  12.719  1043.55    76.575  958.776    108.154 1128.76    108.434 328.918 18.911  357.784 17.357  -28.86639      25.66943 
1 1 1 -10 6  13 o 389.631  13.074  1332.91    88.944  1305.54    125.759 1360.30    125.812 384.469 18.733  392.539 18.356  -8.070160      26.22753 
1 1 1 -10 6  14 o 72.864   14.909  48.378     18.329  63.358     29.774  39.236     23.259  82.991  20.634  65.953  19.099  17.03796       28.11651 
1 1 1 -10 6  15 o 188.668  11.325  313.199    37.135  354.337    46.169  237.823    62.495  200.442 13.267  162.173 22.692  38.26958       26.28521 
1 1 1 -10 6  16 o 580.217  19.618  2976.98    198.749 3142.88    243.610 2646.73    343.700 594.538 23.467  537.427 36.849  57.11133       43.68695 
1 1 1 -10 6  17 o 560.883  18.594  2778.47    182.095 2989.69    223.276 2358.92    314.679 580.465 22.029  507.919 35.709  72.54562       41.95766 
1 1 1 -10 6  18 o 145.486  10.110  186.314    25.523  190.602    29.884  174.754    49.069  146.950 11.745  138.988 20.864  7.961990       23.94226 
1 1 1 -10 6  19 o 173.962  9.7382  265.885    29.461  288.726    34.439  203.557    56.889  181.158 10.939  149.846 22.433  31.31270       24.95790 
1 1 1 -10 6  20 o 128.228  9.3952  144.753    20.889  164.279    24.930  98.739     38.270  136.510 10.541  103.611 21.842  32.89913       24.25272 
1 1 1 -10 6  21 o 293.678  11.147  756.245    57.160  793.145    66.282  649.178    112.904 300.572 12.629  268.886 24.311  31.68585       27.39569 
1 1 1 -10 6  22 o 390.962  12.369  1341.72    84.437  1425.50    97.722  1094.90    167.731 402.697 13.898  348.356 27.808  54.34143       31.08714 
1 1 1 -10 6  23 o 260.594  15.773  600.341    71.431  620.231    101.434 580.773    100.609 263.295 22.273  254.551 22.880  8.743332       31.93083 
1 1 1 -10 6  24 o 387.333  19.030  1327.29    128.702 1349.87    182.175 1304.79    181.850 387.125 27.122  380.384 27.567  6.741058       38.67218 
1 1 1 -10 6  25 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -10 6  26 o 465.886  31.668  1976.22    256.082 1976.22    256.082 0.0000     0.0000  465.886 31.668  ?       ?       0.000000       31.66816 
1 1 1 -10 6  27 o 235.232  14.031  488.554    57.369  488.554    57.369  0.0000     0.0000  235.232 14.031  ?       ?       0.000000       14.03144 
1 1 1 -10 6  28 o 356.303  19.084  1127.94    118.298 1127.94    118.298 0.0000     0.0000  356.303 19.084  ?       ?       0.000000       19.08419 
1 1 1 -10 6  29 o 336.898  26.287  1025.48    153.411 1025.48    153.411 0.0000     0.0000  336.898 26.287  ?       ?       0.000000       26.28731 
1 1 1 -10 6  30 o 127.825  24.282  150.854    52.213  150.854    52.213  0.0000     0.0000  127.825 24.282  ?       ?       0.000000       24.28162 
1 1 1 -10 6  31 o 207.977  22.435  390.477    80.180  390.477    80.180  0.0000     0.0000  207.977 22.435  ?       ?       0.000000       22.43456 
1 1 1 -10 6  32 o 169.400  23.006  261.181    66.287  0.0000     0.0000  261.181    66.287  ?       ?       169.400 23.006  0.000000       23.00578 
1 1 1 -10 6  33 o 136.061  22.911  170.053    52.497  0.0000     0.0000  170.053    52.497  ?       ?       136.061 22.911  0.000000       22.91129 
1 1 1 -10 6  34 o 128.200  23.015  151.642    49.625  0.0000     0.0000  151.642    49.625  ?       ?       128.200 23.015  0.000000       23.01494 
1 1 1 -10 6  35 o 299.460  24.961  815.516    129.327 0.0000     0.0000  815.516    129.327 ?       ?       299.460 24.961  0.000000       24.96107 
1 1 1 -10 6  36 o 232.354  22.977  490.565    91.997  0.0000     0.0000  490.565    91.997  ?       ?       232.354 22.977  0.000000       22.97679 
1 1 1 -10 6  37 o 96.773   16.677  85.458     27.162  75.587     35.871  98.725     41.584  89.854  22.820  102.561 23.697  -12.70740      32.89892 
1 1 1 -10 6  38 f 393.220  19.186  1384.05    131.728 1260.29    185.787 1509.17    186.799 368.412 29.119  405.332 26.540  -36.91992      39.39915 
1 1 1 -10 6  39 o 189.231  14.730  319.413    48.288  250.743    67.202  392.712    69.431  164.492 24.114  208.448 19.295  -43.95607      30.88325 
1 1 1 -10 6  40 o 79.670   12.707  57.456     17.083  62.315     30.355  55.203     20.667  81.558  21.141  77.413  15.824  4.145271       26.40701 
1 1 1 -10 6  41 o 499.022  17.508  2230.05    152.552 2201.28    264.422 2244.40    186.769 481.531 31.625  497.460 21.502  -15.92889      38.24255 
1 1 1 -10 6  42 o 312.002  11.672  860.261    63.589  794.371    127.444 882.103    73.375  292.522 25.198  315.361 13.325  -22.83887      28.50406 
1 1 1 -10 6  43 o 63.725   12.686  37.224     13.619  0.2339     26.121  51.033     15.960  44.286  18.959  74.900  12.655  -30.61349      22.79429 
1 1 1 -10 6  44 o 181.350  13.675  294.190    42.984  357.630    62.089  235.801    59.567  198.333 18.130  159.155 22.025  39.17793       28.52700 
1 1 1 -10 6  45 o 196.895  15.056  348.749    51.368  299.905    71.318  401.408    74.051  178.800 23.406  208.749 20.584  -29.94849      31.16956 
1 1 1 -10 6  46 o 78.847   17.388  58.249     23.295  31.388     30.413  96.376     36.234  61.983  22.178  100.724 21.270  -38.74077      30.72894 
1 1 1 -10 6  47 o 144.430  9.4933  184.953    23.807  182.966    33.189  187.058    34.170  142.544 13.495  144.059 13.751  -1.514389      19.26721 
1 1 1 -10 6  48 o 43.169   14.070  16.204     12.176  21.667     21.923  13.767     14.642  52.252  18.816  42.473  15.365  9.778629       24.29202 
1 1 1 -10 6  49 o 123.370  14.815  138.845    31.276  93.020     42.494  193.010    46.199  97.153  24.927  144.020 18.822  -46.86653      31.23488 
1 1 1 -10 6  50 o 162.766  14.621  240.645    41.109  185.539    56.136  304.369    60.367  138.181 24.146  180.656 19.444  -42.47469      31.00094 
1 1 1 -10 6  51 o 78.653   15.920  58.082     21.114  58.082     21.114  0.0000     0.0000  78.653  15.920  ?       ?       0.000000       15.92049 
1 1 1 -10 6  52 o 26.957   10.951  2.7343     8.0643  -1.2427    10.543  8.3423     12.519  27.405  11.890  36.406  13.996  -9.001453      18.36475 
1 1 1 -10 6  53 o 47.763   13.119  21.212     11.276  18.919     14.039  25.381     18.930  46.214  15.110  53.190  17.554  -6.975761      23.16123 
1 1 1 -10 6  54 o 62.810   15.029  37.337     16.262  37.283     22.342  37.398     23.716  62.618  18.872  62.849  19.541  -0.2307587     27.16664 
1 1 1 -10 6  55 o 140.435  14.440  181.324    34.904  218.703    49.421  144.126    49.302  151.674 19.084  119.623 24.430  32.05115       31.00006 
1 1 1 -10 6  56 f 66.669   12.164  41.204     13.638  41.023     18.646  41.413     20.001  65.406  16.366  65.556  17.243  -0.1498108     23.77312 
1 1 1 -10 6  57 o 111.908  10.643  113.146    20.545  133.218    28.722  92.116     29.401  120.135 13.952  97.919  17.854  22.21627       22.65906 
1 1 1 -10 6  58 o 139.952  10.171  176.205    24.685  176.659    34.836  175.747    34.985  137.977 14.686  137.555 14.799  0.4215240      20.84879 
1 1 1 -10 6  59 o 95.454   10.754  82.876     17.611  65.150     24.457  101.966    25.380  81.797  17.642  104.520 14.281  -22.72380      22.69778 
1 1 1 -10 6  60 o 73.186   14.795  51.102     18.257  18.501     33.966  64.347     21.650  54.999  22.425  81.963  15.699  -26.96368      27.37393 
1 1 1 -10 6  61 o 38.917   14.723  10.932     13.716  -35.0921   27.266  26.525     15.870  33.263  15.998  52.717  15.910  -19.45486      22.56231 
1 1 1 -10 7  1  o 258.167  12.861  586.122    57.972  602.795    71.522  554.185    98.985  260.877 15.776  248.044 23.121  12.83276       27.99040 
1 1 1 -10 7  2  o 201.981  11.944  359.608    41.937  374.188    52.115  332.821    70.641  205.570 14.614  192.225 21.410  13.34457       25.92263 
1 1 1 -10 7  3  o 157.521  11.617  219.046    31.726  238.232    39.914  186.131    52.282  163.902 14.084  143.083 21.599  20.81973       25.78515 
1 1 1 -10 7  4  o 246.858  15.378  539.393    65.953  539.393    65.953  0.0000     0.0000  246.858 15.378  ?       ?       0.000000       15.37762 
1 1 1 -10 7  5  o 205.895  13.828  374.733    49.423  374.733    49.423  0.0000     0.0000  205.895 13.828  ?       ?       0.000000       13.82768 
1 1 1 -10 7  6  o 177.308  15.043  279.001    46.132  279.001    46.132  0.0000     0.0000  177.308 15.043  ?       ?       0.000000       15.04261 
1 1 1 -10 7  7  o 150.455  10.317  199.425    26.941  295.423    34.594  51.477     42.946  183.185 10.864  78.148  26.451  105.0369       28.59507 
1 1 1 -10 7  8  o 549.074  19.919  2675.39    190.964 2677.61    234.023 2670.95    330.362 547.034 24.501  538.360 35.341  8.673706       43.00288 
1 1 1 -10 7  9  o 58.027   13.809  30.811     13.788  59.932     18.776  -3.2741    20.314  81.455  13.687  37.908  16.476  43.54718       21.41927 
1 1 1 -10 7  10 o 279.244  13.017  685.535    63.469  728.663    78.133  601.863    108.829 287.038 15.649  258.338 24.416  28.69995       29.00023 
1 1 1 -10 7  11 o 30.246   12.534  1.9930     10.838  2.4927     14.990  1.4458     15.687  35.368  14.706  35.502  14.923  -0.1337433     20.95087 
1 1 1 -10 7  12 o 281.161  16.608  700.360    81.172  685.375    115.103 715.184    114.488 275.909 24.135  282.120 23.454  -6.211029      33.65404 
1 1 1 -10 7  13 f 227.692  15.355  459.045    60.689  492.021    86.270  426.740    85.390  234.289 21.322  217.643 22.809  16.64545       31.22268 
1 1 1 -10 7  14 f 347.322  17.291  1066.27    104.863 1192.83    149.852 944.812    146.792 364.699 23.660  323.406 26.221  41.29343       35.31752 
1 1 1 -10 7  15 o 293.186  16.158  760.868    82.395  862.573    117.909 663.804    115.187 310.504 21.888  271.306 24.582  39.19849       32.91471 
1 1 1 -10 7  16 o 301.046  16.532  802.661    86.568  881.519    123.840 727.305    121.059 313.578 22.773  284.027 24.655  29.55096       33.56318 
1 1 1 -10 7  17 o 185.231  13.199  303.258    42.411  257.695    52.880  385.405    71.004  169.699 18.127  207.477 19.842  -37.77774      26.87516 
1 1 1 -10 7  18 f ?        ?       -110.1388  5.4737  36.454     16.751  -127.6637  5.7917  63.056  15.357  ?       ?       0.000000       15.35677 
1 1 1 -10 7  19 o 332.616  16.242  976.987    94.329  854.559    115.956 1216.51    162.191 309.016 21.627  367.330 25.444  -58.31339      33.39382 
1 1 1 -10 7  20 o 503.303  17.427  2241.29    153.145 2579.82    187.927 1572.02    264.238 538.855 19.973  410.515 37.270  128.3404       42.28488 
1 1 1 -10 7  21 o 555.602  18.337  2735.93    177.894 2750.60    218.318 2706.95    306.880 554.979 22.529  543.187 32.505  11.79169       39.54969 
1 1 1 -10 7  22 o 272.041  13.918  653.534    65.891  598.446    81.612  756.680    111.673 259.249 18.143  290.328 22.197  -31.07983      28.66887 
1 1 1 -10 7  23 o 31.232   15.248  -50.4944   27.287  -50.4944   27.287  0.0000     0.0000  31.232  15.248  ?       ?       0.000000       15.24797 
1 1 1 -10 7  24 o 54.304   21.781  13.134     31.458  13.134     31.458  0.0000     0.0000  54.304  21.781  ?       ?       0.000000       21.78081 
1 1 1 -10 7  25 o 486.319  21.809  2113.89    185.189 2113.89    185.189 0.0000     0.0000  486.319 21.809  ?       ?       0.000000       21.80883 
1 1 1 -10 7  26 o 342.410  18.609  1044.78    110.842 1044.78    110.842 0.0000     0.0000  342.410 18.609  ?       ?       0.000000       18.60920 
1 1 1 -10 7  27 o 288.642  16.608  740.411    83.350  740.411    83.350  0.0000     0.0000  288.642 16.608  ?       ?       0.000000       16.60804 
1 1 1 -10 7  28 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -10 7  29 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -10 7  30 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -10 7  31 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -10 7  32 o 56.231   19.591  25.562     23.609  25.562     23.609  0.0000     0.0000  56.231  19.591  ?       ?       0.000000       19.59138 
1 1 1 -10 7  33 o 193.533  21.710  341.791    72.099  341.791    72.099  0.0000     0.0000  193.533 21.710  ?       ?       0.000000       21.71011 
1 1 1 -10 7  34 o 178.072  21.486  290.185    65.457  290.185    65.457  0.0000     0.0000  178.072 21.486  ?       ?       0.000000       21.48634 
1 1 1 -10 7  35 o 123.140  14.696  136.477    30.973  97.343     41.881  183.718    46.015  101.352 24.031  141.856 19.060  -40.50449      30.67193 
1 1 1 -10 7  36 o 303.165  16.571  823.441    87.384  678.570    122.766 972.221    124.411 269.838 26.394  326.419 21.956  -56.58176      34.33244 
1 1 1 -10 7  37 o 222.910  15.394  445.078    59.549  385.439    83.245  507.582    85.221  203.764 23.848  235.673 20.928  -31.90836      31.72871 
1 1 1 -10 7  38 o 224.164  15.205  450.360    59.162  384.933    82.474  519.716    84.914  203.433 23.661  238.391 20.602  -34.95847      31.37322 
1 1 1 -10 7  39 o 180.889  14.935  293.994    46.749  269.452    65.002  320.290    67.284  170.142 22.427  186.359 21.046  -16.21713      30.75559 
1 1 1 -10 7  40 o 37.677   15.208  5.9334     15.442  12.766     18.738  -8.5286    27.262  44.781  17.145  41.777  18.584  3.003620       25.28479 
1 1 1 -10 7  41 o 172.578  14.624  268.184    43.652  217.208    60.053  325.291    63.563  151.565 23.449  188.000 19.654  -36.43500      30.59650 
1 1 1 -10 7  42 o 122.051  15.793  136.025    32.868  132.619    44.688  140.039    48.511  117.978 22.515  120.744 23.856  -2.766113      32.80258 
1 1 1 -10 7  43 o 144.243  22.033  196.632    53.732  196.632    53.732  0.0000     0.0000  144.243 22.033  ?       ?       0.000000       22.03328 
1 1 1 -10 7  44 o 119.265  22.469  136.382    45.075  136.382    45.075  0.0000     0.0000  119.265 22.469  ?       ?       0.000000       22.46927 
1 1 1 -10 7  45 o 107.274  22.861  111.626    41.511  111.626    41.511  0.0000     0.0000  107.274 22.861  ?       ?       0.000000       22.86094 
1 1 1 -10 7  46 f 219.206  23.255  458.894    87.649  458.894    87.649  0.0000     0.0000  219.206 23.255  ?       ?       0.000000       23.25485 
1 1 1 -10 7  47 o 124.384  22.468  149.858    47.001  149.858    47.001  0.0000     0.0000  124.384 22.468  ?       ?       0.000000       22.46819 
1 1 1 -10 7  48 o 130.086  11.023  151.939    24.803  190.501    45.472  135.606    29.593  142.338 18.753  121.734 14.189  20.60403       23.51560 
1 1 1 -10 7  49 o 91.388   12.247  76.186     19.051  96.525     33.466  66.435     23.172  100.035 19.860  83.855  16.413  16.17998       25.76493 
1 1 1 -10 7  50 o 118.495  9.7554  125.713    20.005  109.758    27.335  144.113    29.355  108.920 14.753  125.520 13.612  -16.59991      20.07301 
1 1 1 -10 7  51 o 26.947   10.725  3.5127     7.5676  4.7061     9.6050  1.5593     12.288  30.468  12.096  31.255  13.176  -0.7876186     17.88675 
1 1 1 -10 7  52 o 159.172  10.175  227.156    28.131  206.988    38.978  249.081    40.641  149.554 15.135  164.670 14.276  -15.11560      20.80538 
1 1 1 -10 7  53 o 134.434  10.091  162.393    23.515  143.443    32.517  183.167    34.046  124.016 15.344  141.033 14.011  -17.01669      20.77864 
1 1 1 -10 7  54 o 92.911   11.818  79.066     18.739  63.366     21.492  128.828    38.263  81.600  15.654  114.862 19.793  -33.26168      25.23497 
1 1 1 -10 7  55 o 43.735   14.246  17.211     12.483  19.663     13.510  2.9065     32.632  46.349  14.795  48.415  20.962  -2.066589      25.65722 
1 1 1 -10 7  56 o 163.176  12.059  242.859    34.114  224.294    40.907  285.260    61.820  154.764 15.340  169.662 21.340  -14.89812      26.28136 
1 1 1 -10 7  57 o 88.655   10.929  71.933     16.560  79.868     22.609  62.750     24.323  91.947  14.568  79.824  17.894  12.12328       23.07413 
1 1 1 -10 7  58 o 25.928   11.012  0.6502     8.6879  11.293     11.363  -14.3288   13.480  37.522  13.541  24.892  11.766  12.62998       17.93914 
1 1 1 -10 7  59 o 68.786   12.018  44.320     13.909  29.986     18.510  62.915     21.082  55.606  17.259  80.692  15.527  -25.08659      23.21551 
1 1 1 -10 8  1  o 491.175  15.998  2137.69    137.202 2171.10    193.936 2104.22    194.130 491.409 22.602  483.537 22.993  7.872131       32.24205 
1 1 1 -10 8  2  o 495.392  14.959  2170.18    129.393 2061.66    182.806 2279.15    183.174 479.406 21.839  504.694 20.786  -25.28787      30.14940 
1 1 1 -10 8  3  o 518.992  16.139  2386.46    146.252 2627.42    206.965 2146.13    206.698 541.241 21.900  487.683 24.274  53.55798       32.69281 
1 1 1 -10 8  4  o 490.362  15.222  2126.74    130.334 2407.22    184.517 1847.44    184.124 519.060 20.359  452.530 23.382  66.52979       31.00352 
1 1 1 -10 8  5  o 477.700  17.422  2026.14    145.316 2245.63    177.982 1587.25    251.676 501.395 20.330  410.984 35.417  90.41028       40.83736 
1 1 1 -10 8  6  o 584.235  19.578  3043.60    199.714 2589.58    244.072 3963.54    347.423 534.535 26.150  657.214 30.275  -122.6793      40.00549 
1 1 1 -10 8  7  o 648.162  22.584  3771.50    255.591 3679.57    312.837 3956.06    443.256 635.346 28.200  644.846 39.558  -9.500061      48.58083 
1 1 1 -10 8  8  o 419.801  13.948  1555.13    102.237 1486.43    144.441 1624.11    144.728 408.012 20.275  426.884 19.417  -18.87164      28.07277 
1 1 1 -10 8  9  o ?        ?       -389.3109  5.7390  -403.0399  8.6646  -378.5805  7.6601  ?       ?       ?       ?       0.000000       ?        
1 1 1 -10 8  10 o 156.015  11.154  215.034    30.185  180.317    42.238  251.270    43.152  141.511 17.465  167.993 14.865  -26.48186      22.93393 
1 1 1 -10 8  11 o 32.639   13.080  4.4953     11.336  -28.8431   15.530  42.511     16.584  23.584  11.512  68.135  14.391  -44.55144      18.42875 
1 1 1 -10 8  12 o 105.057  12.282  98.455     22.105  74.110     26.423  155.224    40.350  89.902  17.462  130.975 18.130  -41.07292      25.17173 
1 1 1 -10 8  13 o 12.523   5.9407  -4.3316    3.4956  -34.9946   8.6862  1.5939     3.8185  ?       ?       19.106  7.6139  0.000000       7.613896 
1 1 1 -10 8  14 o 10.888   5.4228  -10.5696   4.0975  -7.7624    10.361  -11.0900   4.4611  23.741  10.912  11.511  5.7208  12.22922       12.32070 
1 1 1 -10 8  15 o 255.071  12.696  573.247    56.545  600.053    69.944  522.677    96.070  259.948 15.480  239.992 23.216  19.95520       27.90365 
1 1 1 -10 8  16 o 167.770  11.430  248.713    33.285  275.409    41.960  203.408    54.663  176.130 13.753  149.218 21.609  26.91264       25.61446 
1 1 1 -10 8  17 o 444.923  20.783  1772.15    161.458 1820.11    229.443 1725.11    227.246 444.335 29.745  432.104 30.311  12.23093       42.46817 
1 1 1 -10 8  18 o 188.250  15.864  316.164    51.660  286.659    76.644  340.727    69.933  176.144 25.675  193.975 20.982  -17.83063      33.15796 
1 1 1 -10 8  19 o 161.369  12.206  230.676    34.139  231.586    43.036  229.130    56.069  160.982 15.502  158.702 20.729  2.279984       25.88449 
1 1 1 -10 8  20 o 151.019  9.9702  201.202    26.142  205.387    30.816  190.459    49.376  152.298 11.677  144.616 20.097  7.681778       23.24360 
1 1 1 -10 8  21 o 272.709  10.999  654.311    52.372  678.138    60.808  585.862    103.065 277.306 12.559  253.614 23.543  23.69209       26.68299 
1 1 1 -10 8  22 o 209.376  12.565  388.059    45.725  388.059    45.725  0.0000     0.0000  209.376 12.565  ?       ?       0.000000       12.56543 
1 1 1 -10 8  23 o 510.609  22.921  2357.82    204.355 2357.82    204.355 0.0000     0.0000  510.609 22.921  ?       ?       0.000000       22.92100 
1 1 1 -10 8  24 o 210.376  14.770  394.193    53.911  394.193    53.911  0.0000     0.0000  210.376 14.770  ?       ?       0.000000       14.76996 
1 1 1 -10 8  25 o 199.620  14.858  355.379    51.416  355.379    51.416  0.0000     0.0000  199.620 14.858  ?       ?       0.000000       14.85770 
1 1 1 -10 8  26 o 84.405   16.249  65.480     23.078  65.480     23.078  0.0000     0.0000  84.405  16.249  ?       ?       0.000000       16.24900 
1 1 1 -10 8  27 o 125.102  15.970  141.521    34.089  141.521    34.089  0.0000     0.0000  125.102 15.970  ?       ?       0.000000       15.97046 
1 1 1 -10 8  28 o 195.236  15.458  341.390    52.265  341.390    52.265  0.0000     0.0000  195.236 15.458  ?       ?       0.000000       15.45795 
1 1 1 -10 8  29 o 299.882  17.726  809.190    92.402  809.190    92.402  0.0000     0.0000  299.882 17.726  ?       ?       0.000000       17.72562 
1 1 1 -10 8  30 o 289.657  17.261  754.869    86.906  754.869    86.906  0.0000     0.0000  289.657 17.261  ?       ?       0.000000       17.26146 
1 1 1 -10 8  31 o 354.847  27.363  1183.63    168.229 1183.63    168.229 0.0000     0.0000  354.847 27.363  ?       ?       0.000000       27.36292 
1 1 1 -10 8  32 o 77.224   17.248  55.621     22.669  42.953     29.388  74.233     35.623  68.755  21.807  88.272  22.912  -19.51730      31.63083 
1 1 1 -10 8  33 o 55.078   21.437  18.654     29.649  0.0000     0.0000  18.654     29.649  ?       ?       55.078  21.437  0.000000       21.43700 
1 1 1 -10 8  34 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -10 8  35 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -10 8  36 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -10 8  37 o 170.264  21.795  272.230    63.308  272.230    63.308  0.0000     0.0000  170.264 21.795  ?       ?       0.000000       21.79505 
1 1 1 -10 8  38 o 158.492  21.738  236.959    58.573  236.959    58.573  0.0000     0.0000  158.492 21.738  ?       ?       0.000000       21.73819 
1 1 1 -10 8  39 o 98.660   22.183  94.170     37.287  94.170     37.287  0.0000     0.0000  98.660  22.183  ?       ?       0.000000       22.18336 
1 1 1 -10 8  40 o 116.555  22.062  130.799    43.256  130.799    43.256  0.0000     0.0000  116.555 22.062  ?       ?       0.000000       22.06239 
1 1 1 -10 8  41 o 30.446   13.351  -2.7229    13.600  -16.4698   16.645  24.887     23.590  28.286  13.279  54.823  19.541  -26.53671      23.62585 
1 1 1 -10 8  42 o 55.741   17.937  28.261     19.828  21.556     26.141  37.346     30.427  53.933  20.345  64.542  22.255  -10.60894      30.15297 
1 1 1 -10 8  43 o 305.894  17.037  862.258    90.638  692.979    127.196 1036.89    129.189 262.534 28.189  329.080 22.621  -66.54599      36.14295 
1 1 1 -10 8  44 o 212.372  15.086  412.757    55.579  316.475    77.374  515.395    79.888  178.388 25.572  233.704 19.762  -55.31650      32.31879 
1 1 1 -10 8  45 o 126.972  15.086  148.991    32.792  106.854    44.514  198.995    48.491  102.465 25.083  144.355 19.757  -41.88991      31.92911 
1 1 1 -10 8  46 o 208.894  15.176  401.504    54.974  306.574    76.081  505.220    79.524  174.334 25.770  230.280 19.976  -55.94676      32.60578 
1 1 1 -10 8  47 o 143.904  15.602  192.534    38.575  157.396    53.514  230.543    55.656  123.853 25.592  153.829 21.292  -29.97642      33.29117 
1 1 1 -10 8  48 o 40.137   16.139  8.2509     17.320  14.394     21.876  -2.0691    28.353  46.934  18.373  43.940  19.273  2.994404       26.62708 
1 1 1 -10 8  49 o 104.383  16.698  103.674    29.407  95.158     39.671  114.063    43.814  96.162  23.764  105.130 24.347  -8.968330      34.02228 
1 1 1 -10 8  50 o 59.842   18.295  34.528     20.889  26.567     27.150  46.076     32.699  56.172  20.824  68.519  23.081  -12.34729      31.08646 
1 1 1 -10 8  51 o 143.082  15.287  191.818    37.601  148.956    51.506  240.723    55.018  118.916 25.566  156.326 20.663  -37.41009      32.87216 
1 1 1 -10 8  52 o 64.049   18.737  40.480     22.284  15.236     29.588  73.569     33.874  51.295  20.924  84.297  22.566  -33.00173      30.77391 
1 1 1 -10 8  53 o 47.963   17.862  18.561     20.022  16.500     25.085  22.179     33.236  49.371  19.565  55.927  22.403  -6.556099      29.74401 
1 1 1 -10 8  54 o 20.505   9.3135  -4.0245    7.2589  0.0000     0.0000  -4.0245    7.2589  ?       ?       20.505  9.3135  0.000000       9.313458 
1 1 1 -10 8  55 o 69.015   13.083  45.172     15.188  54.172     23.055  38.271     20.189  73.534  18.082  62.043  17.743  11.49091       25.33351 
1 1 1 -10 8  56 o 55.149   13.915  29.402     13.400  24.111     20.524  33.332     17.690  51.449  18.239  58.120  16.605  -6.670330      24.66545 
1 1 1 -10 9  1  o 39.116   14.397  10.873     12.936  -0.5488    22.336  16.637     15.868  40.780  17.497  45.752  16.055  -4.971684      23.74636 
1 1 1 -10 9  2  o 193.834  11.095  332.503    37.396  331.529    53.338  333.444    52.446  192.149 16.045  192.814 15.715  -0.6653748     22.45839 
1 1 1 -10 9  3  o 98.953   11.588  87.589     19.642  97.155     29.257  79.739     26.503  103.024 16.846  93.103  16.927  9.921852       23.88103 
1 1 1 -10 9  4  o 328.074  12.639  952.229    72.400  950.897    102.739 953.542    102.042 325.103 18.172  325.638 18.017  -0.5350037     25.58921 
1 1 1 -10 9  5  o 304.406  11.699  818.191    62.180  803.532    88.021  832.793    87.851  299.398 16.906  304.976 16.560  -5.578094      23.66533 
1 1 1 -10 9  6  o 263.891  13.446  618.597    61.751  603.340    76.046  648.131    105.803 259.328 16.887  265.830 23.022  -6.502136      28.55112 
1 1 1 -10 9  7  o 95.494   16.582  83.604     26.646  83.604     26.646  0.0000     0.0000  95.494  16.582  ?       ?       0.000000       16.58215 
1 1 1 -10 9  8  o 231.771  13.274  477.288    53.494  493.596    65.096  443.370    93.878  234.805 15.973  218.559 25.052  16.24556       29.71092 
1 1 1 -10 9  9  o 236.587  16.044  501.214    65.886  501.214    65.886  0.0000     0.0000  236.587 16.044  ?       ?       0.000000       16.04410 
1 1 1 -10 9  10 o 511.204  16.574  2333.62    147.941 2323.76    170.919 2363.09    295.407 508.134 19.264  495.673 34.344  12.46130       39.37764 
1 1 1 -10 9  11 o 468.897  15.736  1959.33    128.832 1872.59    148.869 2218.07    257.115 456.508 18.676  484.726 30.535  -28.21783      35.79354 
1 1 1 -10 9  12 o 148.158  10.334  194.285    26.567  197.702    31.041  184.927    51.371  149.107 12.025  141.395 21.484  7.712692       24.62003 
1 1 1 -10 9  13 o 255.684  12.531  578.420    55.945  578.420    55.945  0.0000     0.0000  255.684 12.531  ?       ?       0.000000       12.53124 
1 1 1 -10 9  14 o 73.414   11.158  48.606     13.853  59.317     17.212  28.913     23.340  80.956  12.585  58.132  19.501  22.82352       23.20930 
1 1 1 -10 9  15 o 346.712  11.758  1062.26    71.180  1143.82    82.500  824.692    140.797 359.233 13.153  296.608 27.499  62.62534       30.48255 
1 1 1 -10 9  16 o 95.277   10.326  80.920     16.904  91.556     20.721  59.758     29.228  101.080 11.973  79.739  20.781  21.34081       23.98392 
1 1 1 -10 9  17 o 224.666  11.600  447.235    45.349  492.406    56.454  365.065    76.142  235.059 13.815  198.939 22.304  36.12048       26.23614 
1 1 1 -10 9  18 o 88.964   11.101  70.938     16.868  104.038    23.373  34.960     24.368  107.647 12.678  62.484  19.861  45.16231       23.56292 
1 1 1 -10 9  19 o 130.211  8.8494  149.809    20.000  184.457    24.001  71.080     36.179  144.412 9.5728  86.497  23.392  57.91481       25.27494 
1 1 1 -10 9  20 o 282.797  11.643  707.541    57.492  718.585    66.678  675.538    113.503 284.377 13.428  269.469 24.388  14.90753       27.84014 
1 1 1 -10 9  21 o 143.137  12.012  182.701    29.743  168.145    36.854  209.892    50.371  136.229 15.786  151.048 19.558  -14.81863      25.13390 
1 1 1 -10 9  22 f 116.440  11.418  121.077    22.917  117.543    28.631  127.378    38.229  113.867 14.747  117.152 19.365  -3.284737      24.34096 
1 1 1 -10 9  23 o 159.077  11.571  225.241    31.919  223.829    39.493  227.899    54.202  157.721 14.503  157.022 20.241  0.6993408      24.90047 
1 1 1 -10 9  24 o 245.873  15.446  543.768    65.977  543.768    65.977  0.0000     0.0000  245.873 15.446  ?       ?       0.000000       15.44645 
1 1 1 -10 9  25 o 146.493  21.642  200.958    53.691  200.958    53.691  0.0000     0.0000  146.493 21.642  ?       ?       0.000000       21.64207 
1 1 1 -10 9  26 o 168.551  21.740  265.546    62.489  265.546    62.489  0.0000     0.0000  168.551 21.740  ?       ?       0.000000       21.73959 
1 1 1 -10 9  27 o 219.225  22.671  450.103    85.529  450.103    85.529  0.0000     0.0000  219.225 22.671  ?       ?       0.000000       22.67146 
1 1 1 -10 9  28 o 160.817  21.721  242.945    59.433  242.945    59.433  0.0000     0.0000  160.817 21.721  ?       ?       0.000000       21.72144 
1 1 1 -10 9  29 o 157.415  21.749  233.448    58.183  233.448    58.183  0.0000     0.0000  157.415 21.749  ?       ?       0.000000       21.74911 
1 1 1 -10 9  30 o 119.899  21.982  137.350    44.324  137.350    44.324  0.0000     0.0000  119.899 21.982  ?       ?       0.000000       21.98233 
1 1 1 -10 9  31 o 133.424  21.856  169.607    49.154  169.607    49.154  0.0000     0.0000  133.424 21.856  ?       ?       0.000000       21.85614 
1 1 1 -10 9  32 o 109.062  16.436  110.192    30.327  106.958    39.761  114.690    46.896  105.058 22.361  107.557 25.380  -2.499290      33.82579 
1 1 1 -10 9  33 o 169.264  14.935  260.792    43.688  224.818    60.100  301.102    63.620  152.732 23.272  178.720 20.775  -25.98746      31.19555 
1 1 1 -10 9  34 o 186.243  14.834  315.690    47.838  254.506    66.129  382.859    69.288  161.799 24.147  202.062 19.897  -40.26228      31.28794 
1 1 1 -10 9  35 o 42.106   16.175  11.543     16.714  13.317     20.527  8.0544     28.791  45.912  17.846  48.854  20.352  -2.942345      27.06837 
1 1 1 -10 9  36 f 157.730  14.672  227.448    39.945  174.070    54.742  288.241    58.420  132.567 24.554  174.892 19.461  -42.32495      31.33048 
1 1 1 -10 9  37 o 73.948   18.477  52.737     23.790  67.689     31.503  32.897     36.290  82.901  21.561  63.736  23.986  19.16422       32.25221 
1 1 1 -10 9  38 o 70.878   24.062  47.675     35.539  0.0000     0.0000  47.675     35.539  ?       ?       70.878  24.062  0.000000       24.06171 
1 1 1 -10 9  39 o 54.120   21.660  17.834     31.036  0.0000     0.0000  17.834     31.036  ?       ?       54.120  21.660  0.000000       21.65989 
1 1 1 -10 9  40 o 239.735  24.745  573.291    102.092 0.0000     0.0000  573.291    102.092 ?       ?       239.735 24.745  0.000000       24.74499 
1 1 1 -10 9  41 o 114.825  24.548  134.693    47.726  0.0000     0.0000  134.693    47.726  ?       ?       114.825 24.548  0.000000       24.54836 
1 1 1 -10 9  42 o 149.367  22.521  221.726    56.911  221.726    56.911  0.0000     0.0000  149.367 22.521  ?       ?       0.000000       22.52106 
1 1 1 -10 9  43 o 82.207   22.526  68.925     33.292  68.925     33.292  0.0000     0.0000  82.207  22.526  ?       ?       0.000000       22.52588 
1 1 1 -10 9  44 o 33.872   15.174  -6.0840    18.519  -6.0840    18.519  0.0000     0.0000  33.872  15.174  ?       ?       0.000000       15.17405 
1 1 1 -10 9  45 f 95.866   16.856  88.491     27.185  78.610     36.258  101.176    41.083  86.900  23.383  98.307  24.116  -11.40654      33.59086 
1 1 1 -10 9  46 o 116.029  25.172  142.458    49.532  0.0000     0.0000  142.458    49.532  ?       ?       116.029 25.172  0.000000       25.17245 
1 1 1 -10 9  47 o 199.807  24.580  414.692    83.947  0.0000     0.0000  414.692    83.947  ?       ?       199.807 24.580  0.000000       24.58038 
1 1 1 -10 9  48 o 49.300   20.533  11.754     29.294  0.0000     0.0000  11.754     29.294  ?       ?       49.300  20.533  0.000000       20.53296 
1 1 1 -10 9  49 o 34.454   16.081  -17.9577   23.831  0.0000     0.0000  -17.9577   23.831  ?       ?       34.454  16.081  0.000000       16.08085 
1 1 1 -10 9  50 o 59.433   22.804  31.210     33.195  0.0000     0.0000  31.210     33.195  ?       ?       59.433  22.804  0.000000       22.80404 
1 1 1 -10 9  51 o 103.697  16.766  105.181    29.321  78.390     39.235  139.070    44.128  84.064  24.936  114.684 22.839  -30.61954      33.81487 
1 1 1 -10 9  52 o 72.995   18.548  54.423     23.688  37.528     30.924  78.411     36.850  61.617  22.324  84.337  23.920  -22.71923      32.71886 
1 1 1 -10 9  53 o 38.631   16.194  5.5911     18.395  8.4653     23.663  1.2020     29.242  43.744  18.354  44.321  19.503  -0.5777626     26.78129 
1 1 1 -10 10 1  o 186.607  12.711  312.408    41.171  332.223    71.660  302.644    50.302  187.433 22.336  182.254 15.968  5.178207       27.45683 
1 1 1 -10 10 2  o 229.856  13.075  473.863    52.260  563.716    91.167  429.888    63.779  245.429 21.491  216.926 16.974  28.50279       27.38531 
1 1 1 -10 10 3  o 202.650  12.595  367.832    44.345  384.018    76.021  359.483    54.595  202.094 21.894  198.872 15.854  3.221573       27.03124 
1 1 1 -10 10 4  o 239.582  13.549  515.442    56.448  529.060    97.086  508.488    69.381  236.048 23.884  236.125 16.941  -0.7701111E-01 29.28212 
1 1 1 -10 10 5  o 131.285  12.416  154.961    28.124  169.149    48.036  147.561    34.691  133.718 21.288  126.880 16.016  6.838074       26.63947 
1 1 1 -10 10 6  o 215.446  13.107  416.254    49.072  410.935    84.320  418.979    60.344  208.067 23.629  214.662 16.219  -6.594788      28.65964 
1 1 1 -10 10 7  o 43.267   14.166  16.238     12.338  26.327     15.685  -0.1343    19.981  53.495  15.740  38.516  16.538  14.97836       22.83064 
1 1 1 -10 10 8  o 271.147  13.211  657.282    62.545  670.049    76.933  632.397    107.413 271.682 16.293  258.157 24.108  13.52560       29.09755 
1 1 1 -10 10 9  o 155.759  14.723  219.882    39.567  219.882    39.567  0.0000     0.0000  155.759 14.723  ?       ?       0.000000       14.72295 
1 1 1 -10 10 10 o 92.434   15.813  79.103     24.604  79.103     24.604  0.0000     0.0000  92.434  15.813  ?       ?       0.000000       15.81311 
1 1 1 -10 10 11 f 172.382  14.865  269.198    44.305  269.198    44.305  0.0000     0.0000  172.382 14.865  ?       ?       0.000000       14.86502 
1 1 1 -10 10 12 o 130.393  11.269  152.146    25.404  169.594    31.879  121.785    42.051  137.020 13.500  112.643 22.170  24.37696       25.95650 
1 1 1 -10 10 13 o 217.271  11.744  421.356    44.390  468.672    54.911  332.118    75.411  228.223 13.845  186.633 23.673  41.59048       27.42467 
1 1 1 -10 10 14 o 325.616  14.112  952.163    80.232  996.001    98.593  866.221    138.047 330.459 17.146  299.187 26.706  31.27231       31.73635 
1 1 1 -10 10 15 o 137.712  11.508  169.863    27.418  183.325    34.376  146.329    45.453  142.256 14.022  123.762 21.831  18.49398       25.94637 
1 1 1 -10 10 16 o 87.692   12.380  69.907     18.428  74.782     23.832  62.656     29.063  89.729  15.788  80.720  20.563  9.008690       25.92474 
1 1 1 -10 10 17 o 180.546  10.617  290.353    33.322  284.963    38.955  305.052    64.332  178.136 12.605  180.179 20.833  -2.043381      24.34950 
1 1 1 -10 10 18 o 160.782  10.437  230.370    29.143  221.160    34.176  254.921    55.796  156.799 12.589  165.055 19.753  -8.255432      23.42318 
1 1 1 -10 10 19 o 234.590  12.396  493.258    50.595  519.931    62.884  444.296    85.199  239.370 15.123  215.966 22.945  23.40343       27.48086 
1 1 1 -10 10 20 o 369.978  16.705  1248.31    107.918 1163.17    132.644 1415.00    185.608 351.487 21.719  378.457 28.292  -26.97025      35.66782 
1 1 1 -10 10 21 o 125.618  10.516  141.179    22.854  137.827    26.982  149.689    42.991  123.429 12.701  125.497 20.314  -2.068687      23.95746 
1 1 1 -10 10 22 o 129.983  9.9199  150.767    22.344  160.776    26.481  126.029    41.633  133.783 11.447  114.217 21.669  19.56603       24.50612 
1 1 1 -10 10 23 o 123.386  12.275  137.600    26.095  137.600    26.095  0.0000     0.0000  123.386 12.275  ?       ?       0.000000       12.27542 
1 1 1 -10 10 24 o 148.319  12.334  198.480    31.652  198.480    31.652  0.0000     0.0000  148.319 12.334  ?       ?       0.000000       12.33369 
1 1 1 -10 10 25 o 195.710  12.476  345.187    42.411  345.187    42.411  0.0000     0.0000  195.710 12.476  ?       ?       0.000000       12.47590 
1 1 1 -10 10 26 o 59.175   18.330  32.741     20.889  32.741     20.889  0.0000     0.0000  59.175  18.330  ?       ?       0.000000       18.32972 
1 1 1 -10 10 27 o 66.335   18.365  42.260     21.997  42.260     21.997  0.0000     0.0000  66.335  18.365  ?       ?       0.000000       18.36536 
1 1 1 -10 10 28 f 144.760  15.508  193.667    38.588  193.667    38.588  0.0000     0.0000  144.760 15.508  ?       ?       0.000000       15.50776 
1 1 1 -10 10 29 f 213.178  15.357  418.103    56.778  418.103    56.778  0.0000     0.0000  213.178 15.357  ?       ?       0.000000       15.35665 
1 1 1 -10 10 30 o 150.467  15.525  209.801    40.203  209.801    40.203  0.0000     0.0000  150.467 15.525  ?       ?       0.000000       15.52524 
1 1 1 -10 10 31 o 129.694  16.156  157.376    35.792  157.376    35.792  0.0000     0.0000  129.694 16.156  ?       ?       0.000000       16.15573 
1 1 1 -10 10 32 o 34.014   14.493  1.1370     15.133  -2.8778    17.955  10.985     28.121  34.843  15.308  49.111  20.257  -14.26722      25.39083 
1 1 1 -10 10 33 o 179.730  15.259  299.676    47.433  264.874    65.468  338.132    68.819  162.382 23.796  185.727 21.626  -23.34521      32.15520 
1 1 1 -10 10 34 o 54.539   18.039  27.497     19.987  39.798     25.212  6.6898     32.790  64.021  20.187  49.988  21.317  14.03228       29.35830 
1 1 1 -10 10 35 o 112.904  15.526  120.038    29.797  81.694     39.770  169.110    44.990  88.262  24.786  131.250 20.286  -42.98739      32.02901 
1 1 1 -10 10 36 o 25.080   11.684  -10.6632   12.489  -15.8549   14.381  5.2712     25.194  25.546  12.099  44.313  18.784  -18.76718      22.34290 
1 1 1 -10 10 37 o 124.669  15.747  146.944    33.514  133.796    45.274  162.881    49.847  113.766 23.567  125.841 23.551  -12.07475      33.31752 
1 1 1 -10 10 38 o 79.148   25.136  66.366     39.037  0.0000     0.0000  66.366     39.037  ?       ?       79.148  25.136  0.000000       25.13614 
1 1 1 -10 10 39 o 146.298  24.785  224.552    61.053  0.0000     0.0000  224.552    61.053  ?       ?       146.298 24.785  0.000000       24.78541 
1 1 1 -10 10 40 o 54.692   21.814  21.646     31.368  0.0000     0.0000  21.646     31.368  ?       ?       54.692  21.814  0.000000       21.81386 
1 1 1 -10 10 41 o 61.990   22.736  36.260     32.218  0.0000     0.0000  36.260     32.218  ?       ?       61.990  22.736  0.000000       22.73550 
1 1 1 -10 10 42 f 34.938   16.116  -13.4884   22.879  0.0000     0.0000  -13.4884   22.879  ?       ?       34.938  16.116  0.000000       16.11563 
1 1 1 -10 10 43 o 132.033  24.977  188.204    55.472  0.0000     0.0000  188.204    55.472  ?       ?       132.033 24.977  0.000000       24.97688 
1 1 1 -10 10 44 o 128.146  25.301  179.567    54.602  0.0000     0.0000  179.567    54.602  ?       ?       128.146 25.301  0.000000       25.30072 
1 1 1 -10 10 45 f 58.270   22.404  30.528     32.083  0.0000     0.0000  30.528     32.083  ?       ?       58.270  22.404  0.000000       22.40435 
1 1 1 -10 10 46 o 51.639   21.139  18.017     30.335  0.0000     0.0000  18.017     30.335  ?       ?       51.639  21.139  0.000000       21.13881 
1 1 1 -10 10 47 f 96.839   23.997  104.414    40.370  104.414    40.370  0.0000     0.0000  96.839  23.997  ?       ?       0.000000       23.99733 
1 1 1 -10 10 48 o 59.138   21.256  35.161     27.966  35.161     27.966  0.0000     0.0000  59.138  21.256  ?       ?       0.000000       21.25589 
1 1 1 -10 11 1  o 63.812   16.235  39.211     18.132  77.223     36.362  26.631     20.919  86.832  23.438  54.247  18.460  32.58517       29.83455 
1 1 1 -10 11 2  o 71.467   16.131  49.030     19.652  40.857     38.859  51.839     22.779  67.352  24.924  72.919  18.000  -5.566757      30.74369 
1 1 1 -10 11 3  o 61.176   15.864  35.880     17.088  19.329     32.157  42.391     20.171  55.028  22.039  66.162  17.274  -11.13474      28.00203 
1 1 1 -10 11 4  o 139.929  12.638  178.628    30.546  158.182    38.244  214.653    50.764  129.179 17.398  148.988 20.020  -19.80887      26.52356 
1 1 1 -10 11 5  o 68.176   12.772  43.343     14.645  38.100     17.930  53.853     25.385  62.985  16.209  73.992  19.408  -11.00723      25.28619 
1 1 1 -10 11 6  o 139.969  10.662  176.488    25.861  169.663    30.210  195.204    50.026  136.280 12.847  141.482 20.878  -5.202408      24.51388 
1 1 1 -10 11 7  o 42.755   12.842  16.793     10.358  13.262     12.740  23.678     17.790  40.412  14.365  51.195  17.022  -10.78283      22.27385 
1 1 1 -10 11 8  o 141.453  10.711  180.253    26.259  164.152    30.683  224.331    50.767  133.832 13.307  152.846 19.464  -19.01436      23.57791 
1 1 1 -10 11 9  o 93.651   11.303  79.858     18.108  78.659     21.741  82.576     32.721  91.965  13.980  91.163  20.990  0.8020401      25.21958 
1 1 1 -10 11 10 o 25.649   10.810  0.9024     8.2676  0.2767     11.449  1.5841     11.952  29.398  12.568  30.830  12.995  -1.431709      18.07836 
1 1 1 -10 11 11 o 89.342   13.797  74.221     20.829  74.221     20.829  0.0000     0.0000  89.342  13.797  ?       ?       0.000000       13.79675 
1 1 1 -10 11 12 o 127.268  12.937  148.259    28.349  148.259    28.349  0.0000     0.0000  127.268 12.937  ?       ?       0.000000       12.93711 
1 1 1 -10 11 13 o 66.271   18.411  42.744     22.067  42.744     22.067  0.0000     0.0000  66.271  18.411  ?       ?       0.000000       18.41079 
1 1 1 -10 11 14 o 141.685  10.479  180.737    25.740  181.549    30.316  178.641    48.723  141.148 12.428  134.747 21.426  6.400803       24.76948 
1 1 1 -10 11 15 o 179.309  11.011  289.873    34.308  269.848    40.061  344.968    66.448  171.637 13.476  188.691 20.498  -17.05428      24.53084 
1 1 1 -10 11 16 o 52.937   13.471  26.499     12.482  27.257     15.669  25.183     20.648  53.652  15.716  53.138  18.333  0.5143967      24.14705 
1 1 1 -10 11 17 o 109.042  12.880  109.355    24.049  109.355    24.049  0.0000     0.0000  109.042 12.880  ?       ?       0.000000       12.87997 
1 1 1 -10 11 18 o 68.428   15.218  44.758     17.713  44.758     17.713  0.0000     0.0000  68.428  15.218  ?       ?       0.000000       15.21839 
1 1 1 -10 11 19 f 37.735   13.800  10.943     11.858  10.943     11.858  0.0000     0.0000  37.735  13.800  ?       ?       0.000000       13.80039 
1 1 1 -10 11 20 o 173.549  10.878  272.006    32.797  258.100    38.304  310.210    63.489  167.740 13.184  177.923 20.831  -10.18311      24.65254 
1 1 1 -10 11 21 o 28.712   11.622  3.5171     9.0450  -5.4484    16.723  7.2245     10.754  32.310  14.451  33.622  12.959  -1.312302      19.41044 
1 1 1 -10 11 22 o 93.741   13.220  81.674     21.037  78.209     27.815  86.304     32.157  89.295  18.450  92.876  20.388  -3.581642      27.49713 
1 1 1 -10 11 23 o 186.218  12.822  317.829    41.436  305.878    51.815  339.033    69.016  179.758 16.699  184.442 21.855  -4.683945      27.50484 
1 1 1 -10 11 24 o 53.721   13.788  27.529     12.999  17.944     16.592  42.760     20.915  45.995  16.389  65.915  17.769  -19.91933      24.17307 
1 1 1 -10 11 25 o 52.507   15.351  26.344     14.962  26.344     14.962  0.0000     0.0000  52.507  15.351  ?       ?       0.000000       15.35083 
1 1 1 -10 11 26 o 136.857  10.224  169.464    24.254  169.464    24.254  0.0000     0.0000  136.857 10.224  ?       ?       0.000000       10.22359 
1 1 1 -10 11 27 f 115.799  12.325  123.683    24.538  123.683    24.538  0.0000     0.0000  115.799 12.325  ?       ?       0.000000       12.32539 
1 1 1 -10 11 28 f 67.160   17.471  44.697     20.682  44.697     20.682  0.0000     0.0000  67.160  17.471  ?       ?       0.000000       17.47078 
1 1 1 -10 11 29 o 51.354   21.573  12.491     32.755  12.491     32.755  0.0000     0.0000  51.354  21.573  ?       ?       0.000000       21.57326 
1 1 1 -10 11 30 o 94.078   26.753  99.332     46.033  99.332     46.033  0.0000     0.0000  94.078  26.753  ?       ?       0.000000       26.75333 
1 1 1 -10 11 31 o 91.246   27.930  95.868     48.667  95.868     48.667  0.0000     0.0000  91.246  27.930  ?       ?       0.000000       27.93039 
1 1 1 -10 11 32 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -10 11 33 o 120.524  25.779  160.368    52.609  0.0000     0.0000  160.368    52.609  ?       ?       120.524 25.779  0.000000       25.77907 
1 1 1 -10 11 34 o 132.988  16.115  170.980    36.656  171.469    49.840  170.403    54.100  126.878 23.358  123.981 25.829  2.896896       34.82418 
1 1 1 -10 11 35 o 93.777   17.584  87.712     27.734  87.546     36.739  87.932     42.287  89.643  23.269  87.834  25.844  1.808868       34.77529 
1 1 1 -10 11 36 o 104.313  17.165  107.758    30.176  98.320     39.423  121.113    46.894  94.400  23.896  103.070 26.046  -8.669662      35.34660 
1 1 1 -10 11 37 o 29.198   13.137  -4.9436    14.045  -6.3129    16.496  -1.3356    26.777  31.230  14.127  41.765  18.506  -10.53534      23.28169 
1 1 1 -10 11 38 o 33.208   14.332  0.8226     15.155  1.4472     18.032  -0.6796    27.964  36.151  15.617  42.697  18.916  -6.546452      24.52979 
1 1 1 -10 11 39 o 50.139   17.464  23.817     18.759  3.5053     23.262  61.591     31.722  41.048  17.735  74.773  22.477  -33.72511      28.63162 
1 1 1 -10 11 40 o 68.947   18.885  49.797     23.405  47.763     30.097  52.909     37.227  66.401  22.144  68.882  24.549  -2.480835      33.06062 
1 1 1 -10 11 41 o 123.303  16.343  150.655    34.319  131.215    46.367  174.208    51.037  106.362 25.329  124.359 24.376  -17.99770      35.15335 
1 1 1 -10 11 42 o 67.939   19.016  48.961     23.449  67.229     31.001  24.534     35.848  77.664  21.909  55.298  22.846  22.36622       31.65371 
1 1 1 -10 11 43 o 95.094   17.840  93.167     28.533  94.753     38.365  91.204     42.683  90.313  23.941  86.219  26.108  4.093826       35.42311 
1 1 1 -10 12 1  o 51.729   17.712  25.602     19.258  25.917     23.042  24.873     35.071  52.888  19.253  56.245  22.843  -3.356628      29.87426 
1 1 1 -10 12 2  o 20.669   9.6077  -6.8752    8.3690  -7.7390    15.374  -6.5114    9.9767  29.453  13.446  23.288  10.705  6.165560       17.18677 
1 1 1 -10 12 3  o 29.506   12.021  3.8183     9.7499  -7.5956    12.919  18.920     14.861  26.684  12.235  45.429  15.559  -18.74479      19.79332 
1 1 1 -10 12 4  o 100.278  12.890  94.726     22.046  90.953     27.795  101.126    36.202  95.583  17.291  97.524  21.806  -1.941605      27.82969 
1 1 1 -10 12 5  o 57.037   14.852  31.953     14.937  21.966     19.308  46.837     23.572  49.279  17.667  67.387  19.138  -18.10755      26.04574 
1 1 1 -10 12 6  o 96.617   13.112  88.165     21.549  81.123     27.317  99.764     35.060  89.721  18.062  97.410  21.214  -7.689171      27.86197 
1 1 1 -10 12 7  o 64.787   12.506  39.957     13.635  43.123     16.528  33.210     24.126  66.471  14.636  57.967  19.824  8.503769       24.64213 
1 1 1 -10 12 8  o 48.323   13.716  22.509     12.111  19.893     15.481  26.637     19.445  46.495  15.880  52.694  17.799  -6.198647      23.85321 
1 1 1 -10 12 9  o 103.966  13.080  101.809    23.218  99.357     29.793  105.602    37.053  99.792  17.749  99.844  21.860  -0.5213928E-01 28.15808 
1 1 1 -10 12 10 o 120.602  13.289  136.882    27.519  113.563    34.796  175.826    44.966  105.438 19.622  131.063 20.306  -25.62466      28.23775 
1 1 1 -10 12 11 o 67.308   20.080  47.080     25.388  47.080     25.388  0.0000     0.0000  67.308  20.080  ?       ?       0.000000       20.07997 
1 1 1 -10 12 12 o 52.822   18.305  26.493     20.596  26.493     20.596  0.0000     0.0000  52.822  18.305  ?       ?       0.000000       18.30457 
1 1 1 -10 12 13 o 119.489  18.089  142.353    36.559  142.353    36.559  0.0000     0.0000  119.489 18.089  ?       ?       0.000000       18.08852 
1 1 1 -10 12 14 o 109.934  16.379  118.237    30.480  118.237    30.480  0.0000     0.0000  109.934 16.379  ?       ?       0.000000       16.37893 
1 1 1 -10 12 15 o 39.869   18.338  -13.0150   29.331  -13.0150   29.331  0.0000     0.0000  39.869  18.338  ?       ?       0.000000       18.33799 
1 1 1 -10 12 16 o 52.368   22.069  15.394     34.453  15.394     34.453  0.0000     0.0000  52.368  22.069  ?       ?       0.000000       22.06878 
1 1 1 -10 12 17 o 42.976   19.876  -15.6023   35.140  -15.6023   35.140  0.0000     0.0000  42.976  19.876  ?       ?       0.000000       19.87556 
1 1 1 -10 12 18 o 45.936   16.586  18.583     17.049  54.736     39.583  10.347     18.892  70.594  25.297  41.586  16.809  29.00708       30.37214 
1 1 1 -10 12 19 o 42.039   13.689  16.396     11.526  27.221     16.303  5.5808     16.297  52.604  16.177  36.900  15.337  15.70417       22.29154 
1 1 1 -10 12 20 o 79.273   13.318  60.132     17.781  59.913     23.563  60.422     27.098  76.603  17.933  75.632  20.155  0.9712143      26.97812 
1 1 1 -10 12 21 o 59.440   13.714  34.435     13.943  35.877     18.749  32.650     20.857  59.556  17.119  56.957  18.404  2.599293       25.13450 
1 1 1 -10 12 22 o 104.014  11.315  100.577    20.218  93.285     24.024  118.274    37.427  98.333  14.421  105.767 21.007  -7.434074      25.48029 
1 1 1 -10 12 23 o 127.193  10.990  149.555    24.167  144.451    28.568  162.395    45.316  123.297 13.490  123.380 21.834  -0.8296967E-01 25.66525 
1 1 1 -10 12 24 o 73.796   14.650  53.417     18.212  53.417     18.212  0.0000     0.0000  73.796  14.650  ?       ?       0.000000       14.65038 
1 1 1 -10 12 25 o 44.603   16.187  17.545     16.268  17.545     16.268  0.0000     0.0000  44.603  16.187  ?       ?       0.000000       16.18652 
1 1 1 -10 12 26 o 37.794   15.382  7.8910     15.946  7.8910     15.946  0.0000     0.0000  37.794  15.382  ?       ?       0.000000       15.38224 
1 1 1 -10 12 27 o 36.185   14.257  8.6104     13.249  8.6104     13.249  0.0000     0.0000  36.185  14.257  ?       ?       0.000000       14.25720 
1 1 1 -10 12 28 o 53.384   13.877  28.111     13.054  28.111     13.054  0.0000     0.0000  53.384  13.877  ?       ?       0.000000       13.87685 
1 1 1 -10 12 29 o 123.774  10.835  142.188    23.181  142.188    23.181  0.0000     0.0000  123.774 10.835  ?       ?       0.000000       10.83544 
1 1 1 -10 12 30 o 111.528  10.926  115.854    21.004  115.854    21.004  0.0000     0.0000  111.528 10.926  ?       ?       0.000000       10.92641 
1 1 1 -10 12 31 o 96.034   13.827  89.486     22.518  89.486     22.518  0.0000     0.0000  96.034  13.827  ?       ?       0.000000       13.82740 
1 1 1 -10 12 32 o 60.071   15.523  36.659     16.398  36.659     16.398  0.0000     0.0000  60.071  15.523  ?       ?       0.000000       15.52251 
1 1 1 -10 12 33 o 90.782   17.965  85.918     27.468  89.148     35.976  81.402     42.534  87.696  23.154  80.382  26.302  7.313675       35.04106 
1 1 1 -10 12 34 o 66.825   17.691  47.211     20.966  11.968     26.278  108.934    34.776  45.640  19.256  99.757  20.646  -54.11732      28.23163 
1 1 1 -10 12 35 o 40.154   16.004  11.485     16.872  15.624     20.362  2.4205     30.136  44.474  17.627  43.876  19.528  0.5982361      26.30631 
1 1 1 -10 12 36 o 59.000   18.645  37.487     21.498  39.863     26.375  32.783     37.108  60.072  20.720  57.427  23.429  2.645340       31.27710 
1 1 1 -10 12 37 o 34.763   14.701  4.4809     15.376  5.7739     18.049  1.0596     29.359  37.503  15.898  42.706  19.121  -5.203278      24.86646 
1 1 1 -10 13 1  o 75.784   12.777  56.497     16.306  56.776     19.795  55.908     28.758  73.848  15.828  68.551  21.552  5.297142       26.73928 
1 1 1 -10 13 2  o 68.763   15.731  49.248     18.478  44.442     24.816  55.228     27.682  62.442  20.064  68.649  21.073  -6.207718      29.09715 
1 1 1 -10 13 3  o 94.829   11.503  86.023     18.657  83.109     22.334  92.752     33.940  90.928  14.558  88.881  21.990  2.047531       26.37234 
1 1 1 -10 13 4  o 26.631   11.254  1.7790     8.9999  8.2143     11.725  -7.4517    14.042  34.171  13.428  27.527  12.671  6.643661       18.46292 
1 1 1 -10 13 5  o 46.039   17.806  19.072     20.357  19.072     20.357  0.0000     0.0000  46.039  17.806  ?       ?       0.000000       17.80640 
1 1 1 -10 13 6  o 115.462  15.658  135.352    30.752  135.352    30.752  0.0000     0.0000  115.462 15.658  ?       ?       0.000000       15.65753 
1 1 1 -10 13 7  f 89.063   24.693  99.200     39.737  99.200     39.737  0.0000     0.0000  89.063  24.693  ?       ?       0.000000       24.69284 
1 1 1 -10 13 8  o 74.772   20.439  63.603     27.447  63.603     27.447  0.0000     0.0000  74.772  20.439  ?       ?       0.000000       20.43869 
1 1 1 -10 13 9  o 51.499   16.138  27.430     16.140  29.408     22.844  25.459     22.807  53.103  19.195  50.664  19.025  2.438892       27.02602 
1 1 1 -10 13 10 o 40.016   14.848  13.990     13.809  10.595     20.144  16.999     18.967  41.267  17.094  44.356  17.179  -3.089554      24.23410 
1 1 1 -10 13 11 o 50.108   15.711  25.720     15.295  21.694     22.022  29.472     21.258  48.255  18.560  53.049  18.585  -4.793175      26.26522 
1 1 1 -10 13 12 o 38.841   14.439  12.953     13.071  10.341     20.536  14.732     16.947  41.366  17.207  42.028  16.249  -0.6627579     23.66670 
1 1 1 -10 13 13 o 59.416   13.881  35.556     14.141  39.559     17.962  29.030     22.934  61.304  16.441  52.901  19.215  8.403271       25.28923 
1 1 1 -10 13 14 f 68.798   12.732  46.442     14.731  59.756     18.376  22.498     24.643  77.331  14.130  49.457  19.458  27.87324       24.04733 
1 1 1 -10 13 15 o 102.383  11.664  100.056    20.479  89.160     24.244  127.199    38.265  93.822  15.329  105.934 21.423  -12.11200      26.34253 
1 1 1 -10 13 16 o 31.750   12.534  6.6034     10.259  16.441     12.717  -11.7327   17.361  41.631  14.386  29.387  13.719  12.24364       19.87897 
1 1 1 -10 13 17 o 57.278   13.585  32.972     13.381  29.952     16.194  39.470     23.755  53.605  16.048  59.610  19.663  -6.005421      25.38055 
1 1 1 -10 13 18 o 70.609   15.632  51.525     18.764  51.525     18.764  0.0000     0.0000  70.609  15.632  ?       ?       0.000000       15.63210 
1 1 1 -10 13 19 o 70.219   15.122  50.532     17.992  50.532     17.992  0.0000     0.0000  70.219  15.122  ?       ?       0.000000       15.12172 
1 1 1 -10 13 20 o 86.787   13.383  74.289     19.628  74.289     19.628  0.0000     0.0000  86.787  13.383  ?       ?       0.000000       13.38303 
1 1 1 -10 13 21 o 49.940   13.477  25.151     12.025  20.107     14.588  35.841     21.238  45.096  15.416  57.235  18.578  -12.13869      24.14112 
1 1 1 -10 13 22 o 85.235   12.833  71.203     18.506  55.541     22.277  106.087    33.247  71.458  17.894  97.199  20.247  -25.74113      27.02091 
1 1 1 -10 13 23 o 49.339   15.067  25.046     14.173  28.735     21.577  22.247     18.796  52.159  18.679  47.431  17.370  4.728138       25.50718 
1 1 1 -10 13 24 o 83.531   12.694  68.444     17.932  68.444     17.932  0.0000     0.0000  83.531  12.694  ?       ?       0.000000       12.69421 
1 1 1 -10 13 25 o 41.638   14.389  16.737     12.722  16.737     12.722  0.0000     0.0000  41.638  14.389  ?       ?       0.000000       14.38853 
1 1 1 -10 13 26 o 29.383   12.344  3.1003     10.726  3.1003     10.726  0.0000     0.0000  29.383  12.344  ?       ?       0.000000       12.34436 
1 1 1 -10 13 27 o 34.292   13.647  8.1474     12.252  8.1474     12.252  0.0000     0.0000  34.292  13.647  ?       ?       0.000000       13.64699 
1 1 1 -10 13 28 o 59.789   14.158  36.817     14.552  36.817     14.552  0.0000     0.0000  59.789  14.158  ?       ?       0.000000       14.15793 
1 1 1 -10 14 1  o 64.631   20.681  55.885     26.388  55.885     26.388  0.0000     0.0000  64.631  20.681  ?       ?       0.000000       20.68125 
1 1 1 -10 14 2  o 34.243   15.534  -0.5037    20.117  -0.5037    20.117  0.0000     0.0000  34.243  15.534  ?       ?       0.000000       15.53418 
1 1 1 -10 14 3  o 48.529   19.212  27.485     24.166  18.168     33.409  37.708     34.997  46.116  20.540  53.089  22.301  -6.973129      30.31823 
1 1 1 -10 14 4  o 23.281   10.679  -4.5502    9.8557  1.9889     12.691  -14.4880   15.645  29.841  12.996  25.886  12.361  3.955292       17.93549 
1 1 1 -10 14 5  o 32.782   13.228  7.7705     11.680  13.903     14.872  -2.1009    18.868  38.789  15.159  32.917  14.976  5.871361       21.30855 
1 1 1 -10 14 6  o 78.941   15.597  68.281     20.735  46.903     26.156  104.447    34.019  59.651  20.630  89.213  21.981  -29.56209      30.14617 
1 1 1 -10 14 7  o 29.489   12.501  3.5826     11.160  9.6566     14.768  -4.5037    17.040  35.989  14.743  30.644  14.051  5.345470       20.36632 
1 1 1 -10 14 8  o 73.414   14.036  56.905     17.336  64.362     22.044  44.816     28.067  74.933  17.211  57.873  21.221  17.06001       27.32294 
1 1 1 -10 14 9  o 54.435   14.968  32.562     14.670  34.350     19.330  30.133     22.528  53.864  17.736  50.401  18.912  3.462803       25.92750 
1 1 1 -10 14 10 o 43.961   14.690  20.626     13.245  31.559     18.788  9.8237     18.675  51.951  17.496  38.175  16.176  13.77618       23.82792 
1 1 1 -10 14 11 o 51.486   15.823  29.738     15.602  28.781     21.659  30.769     22.494  49.651  18.561  50.822  18.931  -1.171295      26.51219 
1 1 1 -10 14 12 f 42.976   15.439  19.414     14.753  18.667     19.965  20.313     21.897  43.440  17.377  44.787  18.098  -1.346600      25.08998 
1 1 1 -10 14 13 o 42.038   15.084  18.344     14.078  18.036     18.371  18.781     21.910  42.669  16.796  43.975  17.979  -1.306099      24.60412 
1 1 1 -10 14 14 o 69.896   14.280  51.996     16.839  46.717     20.537  62.826     29.416  62.715  17.881  67.920  21.846  -5.204624      28.23134 
1 1 1 -9  0  1  o 557.706  35.196  2791.03    339.606 2791.03    339.606 2791.03    339.606 557.706 35.196  557.706 35.196  0.000000       0.000000 
1 1 1 -9  0  2  f 287.674  23.941  742.652    118.338 742.652    118.338 742.652    118.338 287.674 23.941  287.674 23.941  -0.000000      0.000000 
1 1 1 -9  0  3  o 207.426  21.761  390.100    76.830  390.100    76.830  390.100    76.830  207.426 21.761  207.426 21.761  -0.000000      0.000000 
1 1 1 -9  0  4  o 144.148  14.258  187.133    35.081  187.133    35.081  187.133    35.081  144.148 14.258  144.148 14.258  0.000000       0.000000 
1 1 1 -9  0  5  o 315.493  17.099  879.861    93.559  879.861    93.559  879.861    93.559  315.493 17.099  315.493 17.099  0.000000       0.000000 
1 1 1 -9  0  6  o 223.289  14.897  442.278    57.486  442.278    57.486  442.278    57.486  223.289 14.897  223.289 14.897  0.000000       0.000000 
1 1 1 -9  0  7  o 556.911  24.234  2743.10    234.642 2743.10    234.642 2743.10    234.642 556.911 24.234  556.911 24.234  0.000000       0.000000 
1 1 1 -9  0  8  o 344.600  17.848  1049.13    106.731 1049.13    106.731 1049.13    106.731 344.600 17.848  344.600 17.848  -0.000000      0.000000 
1 1 1 -9  0  9  o 517.501  33.282  2398.15    297.884 2398.15    297.884 2398.15    297.884 517.501 33.282  517.501 33.282  -0.000000      0.000000 
1 1 1 -9  0  10 o 288.002  16.473  733.562    82.218  733.562    82.218  733.562    82.218  288.002 16.473  288.002 16.473  0.000000       0.000000 
1 1 1 -9  0  11 o 251.652  15.795  560.999    68.778  560.999    68.778  560.999    68.778  251.652 15.795  251.652 15.795  -0.000000      0.000000 
1 1 1 -9  0  12 o 338.712  25.705  1026.28    150.011 1026.28    150.011 1026.28    150.011 338.712 25.705  338.712 25.705  0.000000       0.000000 
1 1 1 -9  0  13 o 491.116  32.051  2156.89    272.158 2156.89    272.158 2156.89    272.158 491.116 32.051  491.116 32.051  -0.000000      0.000000 
1 1 1 -9  0  14 o 219.058  21.922  433.564    81.922  433.564    81.922  433.564    81.922  219.058 21.922  219.058 21.922  0.000000       0.000000 
1 1 1 -9  0  15 o 305.966  24.525  838.285    129.084 838.285    129.084 838.285    129.084 305.966 24.525  305.966 24.525  0.000000       0.000000 
1 1 1 -9  0  16 o 565.802  35.502  2866.13    347.572 2866.13    347.572 2866.13    347.572 565.802 35.502  565.802 35.502  0.000000       0.000000 
1 1 1 -9  0  17 o 602.745  37.271  3255.64    388.818 3255.64    388.818 3255.64    388.818 602.745 37.271  602.745 37.271  0.000000       0.000000 
1 1 1 -9  0  18 o 297.989  24.252  795.353    124.263 795.353    124.263 795.353    124.263 297.989 24.252  297.989 24.252  0.000000       0.000000 
1 1 1 -9  0  19 o 757.539  45.037  5171.45    590.894 5171.45    590.894 5171.45    590.894 757.539 45.037  757.539 45.037  0.000000       0.000000 
1 1 1 -9  0  20 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -9  0  21 o 460.840  30.669  1897.18    244.271 1897.18    244.271 1897.18    244.271 460.840 30.669  460.840 30.669  0.000000       0.000000 
1 1 1 -9  0  22 o 145.922  21.279  198.202    50.851  198.202    50.851  198.202    50.851  145.922 21.279  145.922 21.279  0.000000       0.000000 
1 1 1 -9  0  23 o 186.597  21.435  317.260    67.448  317.260    67.448  317.260    67.448  186.597 21.435  186.597 21.435  -0.000000      0.000000 
1 1 1 -9  0  24 o 1078.17  62.662  10687.01   1170.53 10687.01   1170.53 10687.01   1170.53 1078.17 62.662  1078.17 62.662  0.000000       0.000000 
1 1 1 -9  0  25 o 847.484  34.507  6385.11    508.699 6385.11    508.699 6385.11    508.699 847.484 34.507  847.484 34.507  0.000000       0.000000 
1 1 1 -9  0  26 o 291.402  14.740  748.845    74.560  748.845    74.560  748.845    74.560  291.402 14.740  291.402 14.740  0.000000       0.000000 
1 1 1 -9  0  27 o 434.699  19.493  1666.95    147.281 1666.95    147.281 1666.95    147.281 434.699 19.493  434.699 19.493  -0.000000      0.000000 
1 1 1 -9  0  28 o 74.784   16.967  55.857     19.317  55.857     19.317  55.857     19.317  74.784  16.967  74.784  16.967  0.000000       0.000000 
1 1 1 -9  0  29 o 180.012  14.079  288.733    43.629  288.733    43.629  288.733    43.629  180.012 14.079  180.012 14.079  0.000000       0.000000 
1 1 1 -9  0  30 o 39.463   17.226  19.536     12.339  19.536     12.339  19.536     12.339  39.463  17.226  39.463  17.226  0.000000       0.000000 
1 1 1 -9  0  31 o 379.273  19.114  1271.30    125.846 1271.30    125.846 1271.30    125.846 379.273 19.114  379.273 19.114  0.000000       0.000000 
1 1 1 -9  0  32 o 317.564  17.191  891.596    94.684  891.596    94.684  891.596    94.684  317.564 17.191  317.564 17.191  -0.000000      0.000000 
1 1 1 -9  0  33 o 933.758  37.773  7799.47    613.562 7799.47    613.562 7799.47    613.562 933.758 37.773  933.758 37.773  0.000000       0.000000 
1 1 1 -9  0  34 o 331.139  17.723  969.802    101.800 969.802    101.800 969.802    101.800 331.139 17.723  331.139 17.723  0.000000       0.000000 
1 1 1 -9  0  35 o 527.753  23.496  2466.04    215.534 2466.04    215.534 2466.04    215.534 527.753 23.496  527.753 23.496  0.000000       0.000000 
1 1 1 -9  0  36 o 370.738  18.780  1215.74    120.858 1215.74    120.858 1215.74    120.858 370.738 18.780  370.738 18.780  -0.000000      0.000000 
1 1 1 -9  0  37 o 208.912  15.017  388.286    54.129  388.286    54.129  388.286    54.129  208.912 15.017  208.912 15.017  0.000000       0.000000 
1 1 1 -9  0  38 o 65.768   17.870  45.357     17.739  45.357     17.739  45.357     17.739  65.768  17.870  65.768  17.870  -0.000000      0.000000 
1 1 1 -9  0  39 o 454.347  21.277  1828.83    167.956 1828.83    167.956 1828.83    167.956 454.347 21.277  454.347 21.277  0.000000       0.000000 
1 1 1 -9  0  40 o 279.953  16.602  695.026    80.499  695.026    80.499  695.026    80.499  279.953 16.602  279.953 16.602  -0.000000      0.000000 
1 1 1 -9  0  41 o 259.281  16.096  596.764    72.227  596.764    72.227  596.764    72.227  259.281 16.096  259.281 16.096  0.000000       0.000000 
1 1 1 -9  0  42 o 119.298  26.460  142.571    48.181  142.571    48.181  142.571    48.181  119.298 26.460  119.298 26.460  0.000000       0.000000 
1 1 1 -9  0  43 o 317.582  25.616  910.950    139.919 910.950    139.919 910.950    139.919 317.582 25.616  317.582 25.616  -0.000000      0.000000 
1 1 1 -9  0  44 o 202.478  22.268  375.039    76.298  375.039    76.298  375.039    76.298  202.478 22.268  202.478 22.268  -0.000000      0.000000 
1 1 1 -9  0  45 o 8.6819   6.3706  -17.3300   6.3917  -17.3300   6.3917  -17.3300   6.3917  8.6819  6.3706  8.6819  6.3706  -0.000000      0.000000 
1 1 1 -9  0  46 o 95.405   25.095  95.359     36.120  95.359     36.120  95.359     36.120  95.405  25.095  95.405  25.095  -0.000000      0.000000 
1 1 1 -9  0  47 o 55.281   21.032  36.519     19.096  36.519     19.096  36.519     19.096  55.281  21.032  55.281  21.032  0.000000       0.000000 
1 1 1 -9  0  48 o 32.235   17.658  12.830     14.241  12.830     14.241  12.830     14.241  32.235  17.658  32.235  17.658  -0.000000      0.000000 
1 1 1 -9  0  49 o 337.445  18.063  1016.29    105.733 1016.29    105.733 1016.29    105.733 337.445 18.063  337.445 18.063  0.000000       0.000000 
1 1 1 -9  0  50 o 37.331   19.964  17.799     17.788  17.799     17.788  17.799     17.788  37.331  19.964  37.331  19.964  0.000000       0.000000 
1 1 1 -9  0  51 o 246.050  16.174  542.678    68.797  542.678    68.797  542.678    68.797  246.050 16.174  246.050 16.174  0.000000       0.000000 
1 1 1 -9  0  52 o 400.763  20.032  1446.44    139.378 1446.44    139.378 1446.44    139.378 400.763 20.032  400.763 20.032  0.000000       0.000000 
1 1 1 -9  0  53 o 18.425   12.813  -12.9492   14.617  -12.9492   14.617  -12.9492   14.617  18.425  12.813  18.425  12.813  0.000000       0.000000 
1 1 1 -9  0  54 o 331.968  26.720  1031.80    152.572 1031.80    152.572 1031.80    152.572 331.968 26.720  331.968 26.720  0.000000       0.000000 
1 1 1 -9  0  55 o 246.340  24.072  570.054    101.270 570.054    101.270 570.054    101.270 246.340 24.072  246.340 24.072  0.000000       0.000000 
1 1 1 -9  0  56 o 173.191  15.687  274.250    46.543  274.250    46.543  274.250    46.543  173.191 15.687  173.191 15.687  -0.000000      0.000000 
1 1 1 -9  0  57 o 11.979   8.8260  -39.7480   13.295  -39.7480   13.295  -39.7480   13.295  11.979  8.8260  11.979  8.8260  -0.000000      0.000000 
1 1 1 -9  0  58 o 320.066  27.015  990.016    148.502 990.016    148.502 990.016    148.502 320.066 27.015  320.066 27.015  0.000000       0.000000 
1 1 1 -9  0  59 o 282.225  25.713  772.650    124.291 772.650    124.291 772.650    124.291 282.225 25.713  282.225 25.713  -0.000000      0.000000 
1 1 1 -9  0  60 o 230.935  24.396  520.944    95.860  520.944    95.860  520.944    95.860  230.935 24.396  230.935 24.396  -0.000000      0.000000 
1 1 1 -9  0  61 o 150.033  25.295  230.309    60.608  230.309    60.608  230.309    60.608  150.033 25.295  150.033 25.295  -0.000000      0.000000 
1 1 1 -9  0  62 o 121.628  16.965  142.715    34.023  142.715    34.023  142.715    34.023  121.628 16.965  121.628 16.965  0.000000       0.000000 
1 1 1 -9  0  63 o 36.923   20.718  18.293     20.158  18.293     20.158  18.293     20.158  36.923  20.718  36.923  20.718  -0.000000      0.000000 
1 1 1 -9  0  64 o 162.648  15.870  250.258    44.086  250.258    44.086  250.258    44.086  162.648 15.870  162.648 15.870  -0.000000      0.000000 
1 1 1 -9  0  65 o 220.223  16.417  458.439    62.322  458.439    62.322  458.439    62.322  220.223 16.417  220.223 16.417  -0.000000      0.000000 
1 1 1 -9  0  66 o 172.936  15.872  285.100    46.997  285.100    46.997  285.100    46.997  172.936 15.872  172.936 15.872  0.000000       0.000000 
1 1 1 -9  0  67 o 111.418  17.445  124.643    31.456  124.643    31.456  124.643    31.456  111.418 17.445  111.418 17.445  -0.000000      0.000000 
1 1 1 -9  0  68 o 169.071  15.985  276.623    46.220  276.623    46.220  276.623    46.220  169.071 15.985  169.071 15.985  -0.000000      0.000000 
1 1 1 -9  0  69 o 93.738   19.761  94.743     28.467  94.743     28.467  94.743     28.467  93.738  19.761  93.738  19.761  -0.000000      0.000000 
1 1 1 -9  0  70 o 65.317   30.081  70.865     37.672  70.865     37.672  70.865     37.672  65.317  30.081  65.317  30.081  0.000000       0.000000 
1 1 1 -9  1  1  o 96.091   9.6393  81.635     15.955  86.405     22.306  76.638     22.831  98.347  13.334  92.290  14.658  6.056938       19.81516 
1 1 1 -9  1  2  o 254.676  12.636  568.843    56.191  528.671    97.180  589.020    68.871  243.163 23.169  258.430 15.331  -15.26695      27.78179 
1 1 1 -9  1  3  o 151.390  11.224  201.897    29.457  227.386    51.278  189.342    35.988  159.527 18.768  146.160 14.284  13.36607       23.58557 
1 1 1 -9  1  4  o 313.628  17.180  868.333    93.721  853.395    132.556 883.266    132.527 309.076 24.771  314.599 24.315  -5.523041      34.71001 
1 1 1 -9  1  5  o 211.576  14.942  395.117    54.845  356.740    77.606  433.408    77.520  199.516 22.680  220.659 20.349  -21.14259      30.47085 
1 1 1 -9  1  6  o 190.244  14.332  319.486    47.260  319.486    47.260  0.0000     0.0000  190.244 14.332  ?       ?       0.000000       14.33237 
1 1 1 -9  1  7  o 222.660  15.093  437.370    58.332  437.370    58.332  0.0000     0.0000  222.660 15.093  ?       ?       0.000000       15.09306 
1 1 1 -9  1  8  o 221.722  14.788  433.464    56.923  433.464    56.923  0.0000     0.0000  221.722 14.788  ?       ?       0.000000       14.78806 
1 1 1 -9  1  9  o 245.802  12.401  530.821    53.054  542.223    64.965  507.993    91.924  248.066 15.070  238.747 22.310  9.319504       26.92257 
1 1 1 -9  1  10 o 152.056  11.259  203.572    29.679  195.958    36.342  218.816    51.427  148.796 14.159  156.477 19.227  -7.680603      23.87781 
1 1 1 -9  1  11 o 477.493  17.605  2004.91    146.780 1934.32    179.743 2146.21    254.299 468.072 21.993  489.889 29.872  -21.81726      37.09463 
1 1 1 -9  1  12 o 364.893  12.891  1166.83    82.133  1074.35    116.121 1259.41    116.186 348.830 19.138  378.478 17.581  -29.64777      25.98771 
1 1 1 -9  1  13 o 238.356  10.662  497.250    44.372  454.819    62.698  539.828    62.807  227.063 15.915  247.656 14.589  -20.59369      21.58947 
1 1 1 -9  1  14 o 341.770  12.497  1023.21    74.578  1005.86    105.441 1040.57    105.498 337.792 17.941  343.642 17.642  -5.849976      25.16210 
1 1 1 -9  1  15 o 328.862  12.267  947.204    70.440  962.309    99.608  932.093    99.627  330.509 17.321  325.214 17.610  5.294586       24.70071 
1 1 1 -9  1  16 o 417.104  14.020  1525.05    102.104 1515.61    144.382 1534.49    144.413 414.954 19.927  417.551 19.808  -2.597260      28.09704 
1 1 1 -9  1  17 o 300.449  11.723  790.277    61.501  789.745    86.925  790.810    87.024  299.464 16.691  299.665 16.698  -0.2011108     23.60945 
1 1 1 -9  1  18 o 607.635  21.056  3251.70    223.396 3058.33    386.873 3348.42    273.624 582.353 38.260  615.371 25.466  -33.01752      45.95990 
1 1 1 -9  1  19 o 549.921  19.474  2659.74    186.992 2609.08    229.012 2761.09    323.898 543.590 24.128  555.348 33.560  -11.75787      41.33351 
1 1 1 -9  1  20 f 188.930  10.198  313.155    33.519  307.847    38.655  329.243    67.296  187.152 11.891  192.386 20.342  -5.233932      23.56216 
1 1 1 -9  1  21 o 468.609  15.074  1925.41    123.337 1930.44    174.431 1920.38    174.420 468.213 21.336  466.981 21.391  1.231903       30.21282 
1 1 1 -9  1  22 o 120.973  9.0302  128.669    18.937  145.436    26.696  111.687    26.866  128.332 12.055  112.032 14.043  16.29981       18.50720 
1 1 1 -9  1  23 o 488.078  14.810  2088.26    126.215 2087.07    178.490 2089.45    178.500 486.939 20.993  487.219 20.982  -0.2798462     29.68107 
1 1 1 -9  1  24 o 553.648  16.844  2690.20    162.833 2755.26    230.299 2625.16    230.262 558.894 23.599  545.399 24.179  13.49438       33.78714 
1 1 1 -9  1  25 o 508.195  16.289  2265.84    144.539 2129.95    204.388 2401.78    204.429 491.350 23.823  522.072 22.426  -30.72214      32.71803 
1 1 1 -9  1  26 f 272.052  10.917  647.591    51.857  609.346    73.253  686.012    73.422  263.080 16.023  279.320 15.111  -16.24014      22.02426 
1 1 1 -9  1  27 o 516.313  16.294  2338.90    146.897 2343.80    207.771 2334.00    207.716 515.571 23.080  514.483 23.123  1.088257       32.67008 
1 1 1 -9  1  28 o 565.706  17.073  2809.30    168.645 2866.11    238.533 2752.52    238.467 569.885 23.972  558.354 24.460  11.53046       34.24805 
1 1 1 -9  1  29 o 515.790  18.761  2338.18    168.960 2338.83    206.962 2336.86    292.566 514.998 23.016  511.116 32.958  3.881744       40.19893 
1 1 1 -9  1  30 o 454.081  20.736  1814.96    164.408 1930.62    232.610 1699.50    232.406 465.731 28.745  436.261 30.706  29.47018       42.06054 
1 1 1 -9  1  31 o 970.798  38.884  8469.35    659.125 8041.78    932.090 8897.02    932.196 928.703 57.766  980.192 54.685  -51.48944      79.54494 
1 1 1 -9  1  32 o 445.399  20.727  1746.57    161.195 1719.22    227.846 1773.98    228.081 438.951 29.906  446.061 29.450  -7.109680      41.97212 
1 1 1 -9  1  33 o 71.577   12.136  46.098     14.626  77.384     25.224  30.251     17.952  92.575  16.195  58.091  16.767  34.48375       23.31071 
1 1 1 -9  1  34 o 626.221  26.537  3472.83    290.168 0.0000     0.0000  3472.83    290.168 ?       ?       626.221 26.537  0.000000       26.53741 
1 1 1 -9  1  35 o 419.572  20.055  1549.78    146.924 0.0000     0.0000  1549.78    146.924 ?       ?       419.572 20.055  0.000000       20.05497 
1 1 1 -9  1  36 o 349.495  18.049  1076.61    109.765 0.0000     0.0000  1076.61    109.765 ?       ?       349.495 18.049  0.000000       18.04867 
1 1 1 -9  1  37 o 531.998  23.489  2500.84    218.191 2446.12    308.552 2555.59    308.586 521.689 34.060  533.621 33.285  -11.93146      47.62341 
1 1 1 -9  1  38 f 190.691  11.727  319.647    38.858  300.962    67.067  329.089    47.676  183.528 21.326  193.190 14.234  -9.662201      25.64013 
1 1 1 -9  1  39 o 549.322  23.578  2668.88    226.148 2434.87    319.592 2903.56    320.051 519.382 35.453  568.884 32.354  -49.50177      47.99678 
1 1 1 -9  1  40 o 105.172  12.661  98.330     22.783  99.758     27.434  95.157     40.898  105.509 15.341  101.724 23.499  3.785049       28.06316 
1 1 1 -9  1  41 o 178.229  10.202  278.966    31.616  305.505    44.824  252.690    44.601  186.096 13.895  168.946 15.285  17.14937       20.65655 
1 1 1 -9  1  42 o ?        ?       -177.6927  5.4667  -177.6927  5.4667  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 -9  1  43 o 481.849  15.155  2040.18    127.503 2096.17    180.354 1984.24    180.278 486.911 21.214  473.564 21.802  13.34644       30.41960 
1 1 1 -9  1  44 o 477.760  15.123  2006.44    126.153 2038.04    178.383 1974.83    178.432 479.902 21.288  472.296 21.637  7.605408       30.35356 
1 1 1 -9  1  45 o 87.744   10.802  68.475     16.200  67.673     22.872  69.283     22.949  86.382  15.744  87.457  15.600  -1.074539      22.16419 
1 1 1 -9  1  46 o 314.391  12.046  867.243    66.125  868.253    93.467  866.231    93.563  313.319 17.150  312.943 17.189  0.3762512      24.28098 
1 1 1 -9  1  47 o 272.689  11.297  652.278    53.788  645.584    76.058  658.975    76.076  270.140 16.200  272.973 16.032  -2.832642      22.79124 
1 1 1 -9  1  48 o 202.826  12.025  362.521    42.398  406.159    52.162  277.555    72.785  214.386 14.012  174.589 24.555  39.79695       28.27115 
1 1 1 -9  1  49 o 408.601  15.946  1474.16    113.768 1524.27    139.487 1374.59    196.631 414.414 19.277  388.485 29.201  25.92838       34.99024 
1 1 1 -9  1  50 o 228.422  12.740  460.551    50.611  430.453    61.881  521.365    87.960  220.053 16.219  240.881 21.127  -20.82744      26.63474 
1 1 1 -9  1  51 o 368.604  19.023  1212.37    122.017 1254.73    172.315 1169.76    172.802 371.142 26.770  357.663 27.891  13.47873       38.65894 
1 1 1 -9  1  52 o 126.429  15.347  143.481    33.184  143.481    33.184  0.0000     0.0000  126.429 15.347  ?       ?       0.000000       15.34683 
1 1 1 -9  1  53 f 268.940  13.344  638.801    62.660  638.020    76.658  640.375    108.769 267.487 16.494  265.049 23.755  2.437988       28.91943 
1 1 1 -9  1  54 o 176.811  12.357  277.205    37.909  270.164    46.273  291.576    66.106  173.798 15.408  178.622 21.637  -4.823761      26.56240 
1 1 1 -9  1  55 o 66.793   15.599  41.239     17.863  48.631     21.570  25.107     31.868  72.382  17.302  59.884  22.489  12.49812       28.37428 
1 1 1 -9  1  56 o 228.121  12.595  461.839    49.974  435.900    60.872  515.467    87.527  220.532 15.915  237.558 21.328  -17.02641      26.61196 
1 1 1 -9  1  57 o 345.404  12.381  1056.53    74.668  918.324    105.094 1197.42    106.108 318.481 18.985  365.642 16.620  -47.16144      25.23186 
1 1 1 -9  1  58 o 141.204  10.627  177.044    26.010  166.634    35.823  188.650    37.825  135.713 15.390  144.554 15.214  -8.840714      21.64075 
1 1 1 -9  1  59 o 342.828  12.680  1044.54    75.905  970.524    107.134 1119.13    107.558 326.498 18.873  352.060 17.497  -25.56210      25.73577 
1 1 1 -9  1  60 o 75.678   13.253  52.465     16.874  53.364     24.005  51.588     23.725  75.205  18.426  73.947  18.438  1.258057       26.06653 
1 1 1 -9  1  61 o 188.406  10.799  315.656    35.377  310.167    50.225  321.061    49.840  184.898 15.706  188.320 15.289  -3.422440      21.91847 
1 1 1 -9  1  62 o 188.158  12.464  317.232    40.718  309.696    71.712  320.818    49.465  180.328 23.322  188.066 15.193  -7.737961      27.83411 
1 1 1 -9  1  63 o 127.151  15.621  148.365    33.951  0.0000     0.0000  148.365    33.951  ?       ?       127.151 15.621  0.000000       15.62080 
1 1 1 -9  1  64 o 159.695  12.474  229.643    34.506  187.669    61.028  249.367    41.835  137.241 26.426  165.528 14.625  -28.28754      30.20311 
1 1 1 -9  1  65 o 119.543  13.109  129.927    26.913  137.132    48.254  126.674    32.424  117.661 24.292  116.764 16.352  0.8976135      29.28349 
1 1 1 -9  1  66 o 147.812  12.573  197.706    32.141  193.756    54.956  199.759    39.625  140.718 23.174  147.188 15.659  -6.470322      27.96813 
1 1 1 -9  1  67 o 158.547  12.484  227.607    34.280  208.999    58.242  237.470    42.403  145.408 23.761  160.550 15.311  -15.14209      28.26666 
1 1 1 -9  1  68 o 33.097   13.997  1.6183     13.936  -21.3321   21.329  18.715     18.409  31.612  14.899  47.870  17.242  -16.25841      22.78720 
1 1 1 -9  1  69 o 123.919  11.226  139.006    24.026  135.962    33.691  142.156    34.271  120.154 16.494  122.963 16.369  -2.809006      23.23779 
1 1 1 -9  2  1  o 627.520  26.392  3502.51    289.173 3502.51    289.173 0.0000     0.0000  627.520 26.392  ?       ?       0.000000       26.39171 
1 1 1 -9  2  2  o 378.787  18.648  1264.27    123.333 1264.27    123.333 0.0000     0.0000  378.787 18.648  ?       ?       0.000000       18.64752 
1 1 1 -9  2  3  o 160.027  13.664  226.288    37.815  226.288    37.815  0.0000     0.0000  160.027 13.664  ?       ?       0.000000       13.66426 
1 1 1 -9  2  4  o 425.589  20.120  1597.92    149.514 1597.92    149.514 0.0000     0.0000  425.589 20.120  ?       ?       0.000000       20.12010 
1 1 1 -9  2  5  o 187.253  14.465  309.557    46.928  309.557    46.928  0.0000     0.0000  187.253 14.465  ?       ?       0.000000       14.46517 
1 1 1 -9  2  6  o 342.039  14.519  1026.75    86.711  1024.33    106.224 1031.59    150.116 340.709 17.919  340.096 25.464  0.6135864      31.13663 
1 1 1 -9  2  7  o 166.173  9.6150  242.425    27.779  209.757    39.147  275.555    39.424  153.899 14.749  176.840 12.856  -22.94044      19.56518 
1 1 1 -9  2  8  f 437.781  16.154  1683.73    123.478 1484.93    213.699 1783.38    151.289 406.884 30.296  449.957 19.256  -43.07285      35.89816 
1 1 1 -9  2  9  o 133.840  11.051  157.900    25.595  146.272    43.853  163.908    31.520  127.267 20.425  136.076 13.442  -8.809036      24.45139 
1 1 1 -9  2  10 o 149.091  10.485  195.505    27.121  134.324    46.401  227.250    33.424  121.412 22.723  160.627 12.004  -39.21473      25.69922 
1 1 1 -9  2  11 o 581.577  20.151  2979.95    204.627 2856.66    250.626 3226.47    354.393 567.943 25.273  599.259 34.010  -31.31671      42.37193 
1 1 1 -9  2  12 o 460.044  16.900  1859.40    135.753 1745.07    166.262 2088.07    235.132 444.830 21.406  484.117 27.935  -39.28650      35.19349 
1 1 1 -9  2  13 f 133.080  11.058  156.089    25.463  144.664    31.110  179.275    44.318  127.669 14.196  141.626 18.353  -13.95776      23.20281 
1 1 1 -9  2  14 o 382.591  15.160  1284.18    101.272 1285.79    124.047 1280.96    175.365 382.363 18.580  379.294 26.648  3.068817       32.48619 
1 1 1 -9  2  15 o 257.758  10.589  581.392    47.658  515.095    67.250  648.279    67.548  241.732 16.024  271.549 14.297  -29.81754      21.47451 
1 1 1 -9  2  16 o 287.033  11.548  721.234    57.874  701.807    81.819  740.687    81.874  282.240 16.677  290.048 16.232  -7.807159      23.27167 
1 1 1 -9  2  17 o 155.486  9.8466  212.322    26.595  213.002    37.469  211.631    37.753  155.271 13.970  154.747 14.128  0.5248566      19.86868 
1 1 1 -9  2  18 o 753.868  25.140  5023.90    330.918 5118.72    405.324 4834.35    573.067 758.689 30.597  728.211 45.294  30.47742       54.66009 
1 1 1 -9  2  19 o 523.645  16.331  2406.43    149.314 2399.09    172.413 2428.45    298.634 522.384 18.902  520.895 33.005  1.489441       38.03439 
1 1 1 -9  2  20 o 357.846  14.779  1122.68    92.344  1067.27    113.063 1233.71    160.045 347.976 18.677  372.927 24.719  -24.95129      30.98105 
1 1 1 -9  2  21 o 472.576  17.511  1961.23    144.493 1984.86    176.990 1914.01    250.204 474.738 21.352  462.946 31.134  11.79218       37.75206 
1 1 1 -9  2  22 o 406.955  16.156  1453.07    114.799 1378.34    198.983 1490.35    140.547 393.118 29.197  411.668 19.553  -18.54968      35.13969 
1 1 1 -9  2  23 o 341.538  14.483  1022.46    86.368  936.150    149.718 1065.50    105.735 324.212 26.684  348.348 17.384  -24.13531      31.84715 
1 1 1 -9  2  24 o 78.402   11.666  54.975     15.484  41.652     26.875  61.594     18.944  68.559  20.707  82.780  13.577  -14.22146      24.76092 
1 1 1 -9  2  25 o 265.003  16.013  618.328    73.744  578.177    104.315 658.440    104.265 254.913 23.708  272.483 22.105  -17.57072      32.41493 
1 1 1 -9  2  26 o 332.360  17.663  972.855    102.134 934.097    144.466 1011.59    144.413 324.059 25.744  337.557 24.673  -13.49780      35.65783 
1 1 1 -9  2  27 o 623.665  26.599  3442.28    289.658 3335.20    409.683 3549.32    409.593 608.157 38.783  628.075 37.520  -19.91846      53.96196 
1 1 1 -9  2  28 o 360.369  14.958  1138.72    94.123  1081.85    163.066 1167.14    115.263 348.550 27.005  364.468 18.112  -15.91861      32.51618 
1 1 1 -9  2  29 o 443.240  17.162  1725.11    132.822 1512.33    230.107 1831.43    162.654 410.808 32.341  456.148 20.422  -45.33920      38.24914 
1 1 1 -9  2  30 o 492.562  18.014  2131.80    154.927 0.0000     0.0000  2131.80    154.927 ?       ?       492.562 18.014  0.000000       18.01378 
1 1 1 -9  2  31 o 78.891   10.783  55.470     14.465  0.0000     0.0000  55.470     14.465  ?       ?       78.891  10.783  0.000000       10.78305 
1 1 1 -9  2  32 o 663.628  19.533  3874.91    226.338 4172.78    452.781 3775.68    261.332 680.241 38.276  654.134 22.880  26.10712       44.59369 
1 1 1 -9  2  33 o 186.909  10.005  306.501    32.533  299.155    65.477  308.909    37.488  183.132 20.848  187.495 11.507  -4.363007      23.81286 
1 1 1 -9  2  34 o 177.795  11.252  277.819    34.752  361.348    60.705  237.099    42.385  202.065 17.375  163.729 14.992  38.33546       22.94878 
1 1 1 -9  2  35 o 162.026  9.9053  230.538    27.889  232.760    39.656  228.364    39.228  162.322 14.133  160.773 14.117  1.548203       19.97550 
1 1 1 -9  2  36 o 260.720  10.959  595.043    49.892  631.599    70.675  558.730    70.440  267.858 15.174  251.743 16.110  16.11496       22.13045 
1 1 1 -9  2  37 o 323.508  12.023  916.744    67.912  960.813    96.104  872.789    95.980  330.264 16.720  314.588 17.543  15.67673       24.23475 
1 1 1 -9  2  38 o 424.304  14.123  1579.25    104.631 1695.16    148.020 1463.50    147.922 438.692 19.324  406.794 20.896  31.89807       28.46161 
1 1 1 -9  2  39 o 300.016  13.242  789.239    69.369  842.520    120.379 762.750    84.878  307.921 22.547  294.117 16.596  13.80432       27.99569 
1 1 1 -9  2  40 f 593.855  20.182  3111.34    209.267 3256.33    362.578 3038.92    256.257 600.516 34.727  585.245 25.077  15.27136       42.83514 
1 1 1 -9  2  41 o ?        ?       -36.1080   5.2372  -3.5144    12.750  -42.7231   5.7442  29.326  12.892  ?       ?       0.000000       12.89184 
1 1 1 -9  2  42 o 314.731  14.224  869.783    78.169  693.065    135.052 958.814    95.859  277.268 28.292  329.675 16.707  -52.40741      32.85686 
1 1 1 -9  2  43 o 512.154  18.659  2314.07    166.860 2340.68    288.934 2300.76    204.388 508.689 32.703  509.309 22.983  -0.6197510     39.97161 
1 1 1 -9  2  44 o 281.496  11.188  694.580    54.988  628.316    77.493  761.782    78.039  266.560 16.735  293.905 15.259  -27.34509      22.64722 
1 1 1 -9  2  45 o 268.884  12.590  634.641    59.109  571.606    72.030  764.617    103.432 254.205 16.314  293.187 20.330  -38.98170      26.06642 
1 1 1 -9  2  46 o 117.072  11.306  121.326    22.823  129.529    28.221  105.817    38.804  120.637 13.637  107.355 21.451  13.28193       25.41895 
1 1 1 -9  2  47 o 165.464  11.788  241.559    33.834  237.743    41.633  248.981    58.062  163.660 14.727  166.296 20.426  -2.636658      25.18111 
1 1 1 -9  2  48 o 197.669  12.008  344.541    41.249  360.038    50.940  315.026    70.298  201.620 14.568  186.770 21.977  14.85002       26.36659 
1 1 1 -9  2  49 f 382.567  15.007  1291.75    100.244 1388.93    123.016 1099.67    172.951 395.826 17.799  346.922 28.812  48.90402       33.86661 
1 1 1 -9  2  50 o 192.868  14.860  330.454    49.657  346.037    71.273  315.754    69.223  195.695 21.197  186.708 21.635  8.987579       30.28818 
1 1 1 -9  2  51 o 209.223  12.549  387.023    45.633  363.587    78.842  398.829    55.959  199.811 23.019  211.779 15.235  -11.96802      27.60407 
1 1 1 -9  2  52 o 414.482  14.140  1519.10    102.330 1545.50    144.636 1492.64    144.798 415.472 19.938  408.108 20.320  7.363708       28.46772 
1 1 1 -9  2  53 o 32.455   13.046  4.3387     11.313  3.0725     14.839  6.0960     17.481  35.446  14.676  39.848  16.147  -4.401344      21.81971 
1 1 1 -9  2  54 o 170.011  11.808  256.224    34.836  239.462    41.794  294.371    63.052  163.615 14.789  179.718 20.457  -16.10283      25.24340 
1 1 1 -9  2  55 o 95.977   12.848  82.919     20.990  80.638     24.426  89.361     41.043  94.019  15.414  96.959  24.293  -2.939529      28.77038 
1 1 1 -9  2  56 o 106.509  12.670  101.846    23.100  89.413     26.721  138.628    45.960  98.868  16.027  121.524 22.488  -22.65604      27.61507 
1 1 1 -9  2  57 o 98.520   15.298  88.617     25.462  88.617     25.462  0.0000     0.0000  98.520  15.298  ?       ?       0.000000       15.29772 
1 1 1 -9  2  58 o 74.014   14.147  50.409     17.616  54.441     21.358  41.832     31.153  76.453  16.485  68.340  22.517  8.113319       27.90606 
1 1 1 -9  2  59 o 108.326  10.839  104.871    20.226  104.598    27.743  105.181    29.550  106.992 15.285  106.967 16.340  0.2447510E-01  22.37450 
1 1 1 -9  2  60 o 49.738   14.911  22.503     13.974  38.603     18.086  -1.3465    22.012  64.197  16.149  39.869  17.239  24.32766       23.62172 
1 1 1 -9  2  61 o 77.945   14.593  56.246     19.131  61.615     28.731  51.969     25.643  80.190  20.455  73.869  19.569  6.321411       28.30805 
1 1 1 -9  2  62 o 103.982  12.465  97.884     22.181  66.506     34.942  119.063    28.707  82.644  23.242  114.065 14.759  -31.42086      27.53207 
1 1 1 -9  2  63 o 145.100  11.981  189.278    30.083  163.155    49.384  204.691    37.933  129.990 22.577  149.875 14.684  -19.88571      26.93192 
1 1 1 -9  2  64 o 145.662  12.013  191.065    30.281  155.276    49.864  211.973    38.114  125.895 23.549  152.450 14.493  -26.55486      27.65166 
1 1 1 -9  2  65 o 89.833   12.453  73.723     19.008  83.094     27.035  64.562     26.730  93.786  17.141  81.791  19.068  11.99434       25.63989 
1 1 1 -9  2  66 o 170.524  12.819  263.443    37.889  268.910    66.408  260.804    46.136  165.469 23.658  168.039 15.914  -2.570190      28.51240 
1 1 1 -9  2  67 o 142.145  12.785  183.811    31.392  160.141    54.845  195.343    38.283  125.167 25.947  145.331 15.317  -20.16426      30.13069 
1 1 1 -9  2  68 o 217.293  16.272  438.991    61.290  352.152    86.764  525.483    86.590  184.271 27.834  232.666 21.559  -48.39481      35.20678 
1 1 1 -9  2  69 o 201.201  16.337  378.424    56.897  332.515    80.714  423.767    80.216  179.334 26.581  207.049 22.553  -27.71533      34.85983 
1 1 1 -9  3  1  o 307.781  13.073  830.614    70.257  708.130    85.876  1078.53    122.176 283.181 17.453  349.124 20.127  -65.94370      26.64040 
1 1 1 -9  3  2  o 437.226  20.178  1686.04    154.044 1523.56    217.661 1849.08    218.042 411.916 30.479  455.101 27.569  -43.18509      41.09794 
1 1 1 -9  3  3  o 158.385  11.061  220.735    30.399  189.374    36.982  286.067    53.377  146.164 14.689  179.547 17.238  -33.38223      22.64775 
1 1 1 -9  3  4  o 95.081   9.5320  79.892     15.612  74.923     21.918  85.008     22.242  91.348  14.203  97.560  13.412  -6.212265      19.53468 
1 1 1 -9  3  5  o 368.792  12.408  1191.82    79.899  1148.13    112.912 1235.64    113.077 361.244 17.901  374.858 17.276  -13.61346      24.87792 
1 1 1 -9  3  6  o 540.066  16.144  2562.23    152.236 2207.48    215.183 2917.71    215.404 499.227 24.686  574.954 21.456  -75.72650      32.70734 
1 1 1 -9  3  7  o 341.118  11.708  1019.16    69.732  800.469    98.422  1239.58    98.812  300.975 18.823  375.808 15.058  -74.83264      24.10514 
1 1 1 -9  3  8  o 148.399  9.3300  193.408    24.052  138.004    33.620  251.497    34.425  124.381 15.840  169.054 11.735  -44.67292      19.71311 
1 1 1 -9  3  9  o 529.246  16.066  2459.77    148.463 2167.80    209.879 2752.20    210.038 494.987 24.284  558.521 21.538  -63.53436      32.45856 
1 1 1 -9  3  10 o 269.934  12.958  638.523    61.072  585.750    74.767  744.332    105.868 257.689 16.707  289.811 21.065  -32.12195      26.88630 
1 1 1 -9  3  11 o 285.296  13.157  713.309    65.540  632.933    80.222  874.637    113.655 267.833 17.246  314.348 20.825  -46.51483      27.03862 
1 1 1 -9  3  12 o 251.442  12.894  555.391    56.420  492.353    69.131  681.125    97.634  236.158 16.876  277.357 20.301  -41.19952      26.39994 
1 1 1 -9  3  13 o 173.384  14.439  265.426    43.315  240.913    61.441  289.648    61.075  163.843 22.035  180.349 19.716  -16.50621      29.56806 
1 1 1 -9  3  14 o 180.530  14.451  287.595    45.169  280.186    64.123  294.892    63.637  177.087 21.157  181.882 20.389  -4.794769      29.38243 
1 1 1 -9  3  15 o 188.105  11.179  310.801    36.552  263.765    63.225  334.415    44.798  171.680 21.567  194.915 13.241  -23.23558      25.30783 
1 1 1 -9  3  16 o 655.919  21.453  3791.68    245.696 4092.48    300.990 3190.99    425.347 680.177 25.344  592.929 41.343  87.24786       48.49283 
1 1 1 -9  3  17 o 101.505  10.925  91.207     19.058  103.211    23.523  68.276     32.512  107.808 12.743  86.350  21.614  21.45779       25.09058 
1 1 1 -9  3  18 o 218.870  12.360  420.837    47.044  393.959    57.687  474.198    81.282  211.321 15.747  231.223 20.340  -19.90190      25.72305 
1 1 1 -9  3  19 o 233.368  15.359  479.752    62.236  479.752    62.236  0.0000     0.0000  233.368 15.359  ?       ?       0.000000       15.35921 
1 1 1 -9  3  20 o 339.629  14.096  1011.03    83.591  1077.75    102.452 878.180    144.574 350.371 16.747  313.860 26.632  36.51093       31.46009 
1 1 1 -9  3  21 o 195.174  11.253  334.508    38.187  370.361    46.820  263.275    65.995  205.197 13.137  171.346 22.611  33.85077       26.14999 
1 1 1 -9  3  22 o 311.166  13.524  848.399    73.477  896.317    90.044  752.910    127.111 319.175 16.210  290.760 25.289  28.41516       30.03863 
1 1 1 -9  3  23 o 395.449  15.787  1372.07    109.005 1344.18    133.549 1427.72    188.673 390.395 19.655  400.573 27.135  -10.17786      33.50560 
1 1 1 -9  3  24 o 307.880  13.802  830.724    74.196  802.611    90.884  886.900    128.473 301.808 17.319  316.147 23.440  -14.33929      29.14434 
1 1 1 -9  3  25 o 959.934  31.049  8201.64    520.423 8278.70    637.452 8047.60    901.212 959.851 38.035  929.955 55.759  29.89624       67.49563 
1 1 1 -9  3  26 o 366.684  15.122  1179.32    96.821  1157.67    118.649 1222.46    167.506 362.367 18.817  370.778 26.039  -8.410553      32.12606 
1 1 1 -9  3  27 o 487.805  18.082  2091.32    154.008 2049.25    188.672 2175.33    266.606 482.014 22.417  493.387 31.106  -11.37247      38.34247 
1 1 1 -9  3  28 f 411.358  16.181  1485.30    116.220 1454.49    142.385 1546.81    201.173 406.481 20.061  416.723 27.807  -10.24161      34.28859 
1 1 1 -9  3  29 o 249.265  12.371  544.177    53.843  670.110    93.522  481.739    65.852  275.270 19.585  233.706 16.238  41.56363       25.44154 
1 1 1 -9  3  30 o 420.277  16.163  1550.61    118.607 1628.89    205.549 1511.54    145.223 427.636 27.677  414.329 20.074  13.30725       34.18982 
1 1 1 -9  3  31 o 93.838   11.574  78.257     18.562  114.819    32.790  61.015     22.517  113.070 17.146  81.940  16.312  31.12999       23.66584 
1 1 1 -9  3  32 o 379.683  13.281  1263.43    88.049  1258.99    176.293 1264.90    101.633 375.819 27.046  379.661 15.331  -3.841736      31.08932 
1 1 1 -9  3  33 o 685.408  20.022  4138.22    239.619 4468.10    479.418 4028.37    276.654 702.394 39.247  675.127 23.469  27.26709       45.72894 
1 1 1 -9  3  34 o 469.932  15.201  1938.20    124.729 2061.36    249.704 1897.26    143.977 480.132 29.934  464.497 17.752  15.63556       34.80232 
1 1 1 -9  3  35 o 210.867  10.181  389.142    37.486  457.640    75.704  366.892    43.147  227.166 19.268  204.286 12.151  22.88023       22.77905 
1 1 1 -9  3  36 o 38.516   12.871  12.222     10.168  -10.9814   14.635  33.871     14.136  28.248  12.978  60.957  13.624  -32.70993      18.81621 
1 1 1 -9  3  37 o 795.981  22.256  5600.37    309.316 5399.31    437.393 5801.52    437.487 776.315 32.268  805.437 31.108  -29.12177      44.82096 
1 1 1 -9  3  38 o 132.518  10.165  154.626    23.342  137.401    32.530  172.908    33.513  124.148 15.332  139.695 13.925  -15.54728      20.71215 
1 1 1 -9  3  39 o 31.973   12.276  5.9387     9.6231  2.2373     11.420  15.002     17.870  31.173  12.888  46.189  16.934  -15.01650      21.28041 
1 1 1 -9  3  40 o 453.875  17.113  1813.49    135.623 1855.87    166.199 1729.03    234.640 458.250 20.771  438.115 30.870  20.13483       37.20761 
1 1 1 -9  3  41 o 254.943  12.675  570.174    56.425  613.323    69.492  486.684    96.665  263.716 15.155  232.902 24.120  30.81406       28.48592 
1 1 1 -9  3  42 o 635.674  21.540  3579.78    239.075 3749.39    292.907 3241.25    413.803 648.480 25.868  593.128 40.193  55.35193       47.79833 
1 1 1 -9  3  43 o 262.757  12.840  606.119    58.910  633.089    72.358  553.098    101.454 267.754 15.544  248.289 23.689  19.46452       28.33343 
1 1 1 -9  3  44 o 178.949  11.847  282.204    36.807  297.073    45.283  253.257    63.183  183.249 14.265  167.463 22.152  15.78636       26.34772 
1 1 1 -9  3  45 o 321.412  13.982  908.771    78.470  841.655    135.865 942.365    96.122  305.585 25.702  326.301 16.929  -20.71652      30.77635 
1 1 1 -9  3  46 o 374.775  15.141  1238.16    99.080  1247.26    171.703 1233.61    121.315 371.554 26.643  373.167 18.619  -1.613556      32.50404 
1 1 1 -9  3  47 o 327.827  13.991  946.764    80.088  909.446    138.519 965.503    98.158  317.206 25.218  329.902 17.099  -12.69644      30.46819 
1 1 1 -9  3  48 o 461.931  21.132  1905.10    170.443 1692.94    240.721 2118.40    241.366 428.035 32.450  481.786 28.824  -53.75079      43.40314 
1 1 1 -9  3  49 o 81.895   11.618  60.139     16.147  46.147     22.637  74.632     23.040  70.733  18.218  90.724  15.073  -19.99165      23.64538 
1 1 1 -9  3  50 o 94.964   11.348  80.449     18.444  79.517     25.912  81.407     26.260  93.349  16.501  94.472  16.521  -1.123512      23.35029 
1 1 1 -9  3  51 o 95.509   11.167  81.365     18.272  91.044     25.872  71.734     25.808  100.258 15.261  88.306  17.357  11.95235       23.11177 
1 1 1 -9  3  52 o 162.204  10.304  232.380    29.032  211.968    41.006  252.894    41.108  153.747 15.486  168.417 14.109  -14.67014      20.94929 
1 1 1 -9  3  53 o 199.828  10.518  352.616    36.571  343.635    51.294  361.899    52.153  196.084 15.098  201.302 14.945  -5.217957      21.24352 
1 1 1 -9  3  54 f 218.674  10.153  421.203    38.765  366.721    54.219  478.175    55.445  202.311 15.466  231.749 13.764  -29.43829      20.70349 
1 1 1 -9  3  55 o 106.234  12.775  101.412    23.221  103.825    36.818  99.819     29.923  105.272 20.768  104.271 17.023  1.001137       26.85290 
1 1 1 -9  3  56 o 220.695  12.320  433.159    47.286  380.299    80.080  461.456    58.591  202.130 23.105  226.878 14.873  -24.74826      27.47796 
1 1 1 -9  3  57 f 187.903  12.166  314.606    39.700  288.805    65.850  329.340    49.761  176.082 21.890  191.274 15.020  -15.19237      26.54805 
1 1 1 -9  3  58 o 142.887  14.245  184.320    35.067  142.755    45.799  243.213    54.516  122.655 22.202  162.115 19.661  -39.45953      29.65662 
1 1 1 -9  3  59 o 369.509  17.601  1240.91    113.562 1025.35    159.038 1465.15    162.211 325.055 28.303  394.762 23.642  -69.70764      36.87853 
1 1 1 -9  3  60 o 161.371  11.765  232.998    32.921  201.121    39.019  311.755    61.331  148.624 15.252  183.202 19.471  -34.57747      24.73356 
1 1 1 -9  3  61 o 76.552   13.948  54.193     17.957  45.562     20.262  85.779     38.763  69.406  16.881  93.417  23.721  -24.01132      29.11439 
1 1 1 -9  3  62 o 144.130  10.201  185.356    25.506  166.783    35.149  206.017    37.071  134.912 15.185  150.487 14.279  -15.57500      20.84408 
1 1 1 -9  3  63 o 40.124   13.856  13.347     11.797  7.0389     14.900  23.946     19.313  37.597  15.022  52.329  17.738  -14.73178      23.24396 
1 1 1 -9  3  64 o 117.364  12.117  124.778    24.473  97.922     28.798  194.592    46.432  102.123 16.730  143.504 18.998  -41.38084      25.31415 
1 1 1 -9  3  65 o 165.594  12.276  247.876    35.241  243.089    42.633  258.203    62.621  162.520 15.200  162.710 22.656  -0.1901398     27.28292 
1 1 1 -9  3  66 o 20.041   9.3131  -6.7971    7.8549  -5.7040    8.9605  -10.4251   16.324  22.429  10.249  29.969  13.746  -7.539598      17.14611 
1 1 1 -9  3  67 o 170.202  12.658  263.512    37.349  258.184    65.639  266.063    45.418  160.432 24.183  169.336 15.534  -8.903870      28.74256 
1 1 1 -9  3  68 o 85.085   15.151  68.444     21.684  78.925     39.808  64.022     25.857  87.072  24.920  80.790  18.700  6.281876       31.15584 
1 1 1 -9  4  1  o 251.248  12.236  553.168    53.680  487.276    65.484  688.148    93.725  234.957 16.058  278.797 19.374  -43.83963      25.16346 
1 1 1 -9  4  2  o 541.245  18.610  2579.39    175.871 2313.55    215.253 3113.21    305.025 511.125 24.119  590.068 29.700  -78.94324      38.26023 
1 1 1 -9  4  3  o 543.334  18.569  2599.00    176.164 2389.12    215.672 3019.75    305.363 519.550 23.774  580.957 30.207  -61.40717      38.44059 
1 1 1 -9  4  4  o 118.880  11.011  124.794    22.597  110.856    27.136  156.326    40.815  111.517 14.263  132.080 18.180  -20.56298      23.10697 
1 1 1 -9  4  5  o 472.471  17.525  1963.13    144.580 1904.48    177.034 2080.60    250.532 464.429 21.831  482.198 29.904  -17.76904      37.02452 
1 1 1 -9  4  6  o 321.292  11.937  904.242    66.969  777.019    94.580  1032.16    94.837  296.604 18.353  342.830 15.843  -46.22519      24.24496 
1 1 1 -9  4  7  o 231.430  10.698  468.842    43.232  477.713    60.932  459.849    61.349  232.827 15.069  228.353 15.478  4.473862       21.60177 
1 1 1 -9  4  8  o 408.645  13.894  1464.38    99.139  1496.96    140.133 1431.74    140.275 412.288 19.466  403.122 19.929  9.165710       27.85827 
1 1 1 -9  4  9  o 414.043  13.671  1503.04    98.833  1320.70    139.628 1686.12    139.914 386.507 20.766  437.802 18.303  -51.29520      27.68055 
1 1 1 -9  4  10 o 219.891  12.042  424.763    46.060  373.047    79.565  450.829    56.487  204.321 22.685  226.267 14.372  -21.94649      26.85465 
1 1 1 -9  4  11 o 311.436  16.387  854.153    88.800  0.0000     0.0000  854.153    88.800  ?       ?       311.436 16.387  0.000000       16.38739 
1 1 1 -9  4  12 o 407.343  13.722  1454.63    97.599  1299.10    137.962 1610.45    138.090 383.401 20.685  427.885 18.483  -44.48444      27.73964 
1 1 1 -9  4  13 o 434.902  16.275  1660.84    123.590 1437.47    213.971 1772.67    151.399 400.513 30.834  448.775 19.321  -48.26236      36.38717 
1 1 1 -9  4  14 o 192.631  11.804  326.148    39.513  290.130    68.137  344.397    48.500  180.030 22.143  197.687 14.144  -17.65686      26.27474 
1 1 1 -9  4  15 o 235.700  11.945  487.746    48.999  351.806    84.474  556.676    60.152  197.905 25.004  251.630 13.743  -53.72469      28.53138 
1 1 1 -9  4  16 o 61.246   12.396  34.040     12.801  41.137     15.656  19.724     22.235  67.289  13.788  52.196  18.926  15.09228       23.41643 
1 1 1 -9  4  17 o 382.941  15.322  1286.70    102.451 1321.69    125.549 1216.95    177.248 387.662 18.548  369.343 27.686  18.31857       33.32480 
1 1 1 -9  4  18 o 247.434  15.608  539.390    67.086  472.395    94.881  606.366    94.867  230.004 23.978  261.502 20.953  -31.49762      31.84271 
1 1 1 -9  4  19 o 104.895  13.814  98.100     24.685  105.298    35.145  91.093     34.679  107.783 19.388  99.900  20.566  7.883842       28.26389 
1 1 1 -9  4  20 o 480.928  21.706  2039.63    182.272 2105.97    257.852 1973.38    257.692 485.406 30.579  469.440 31.622  15.96661       43.98944 
1 1 1 -9  4  21 o 584.709  17.002  3003.32    173.579 3134.45    200.486 2610.79    346.872 596.821 19.239  537.760 37.170  59.06183       41.85369 
1 1 1 -9  4  22 o 659.725  19.019  3829.41    219.088 3952.33    253.037 3461.31    437.886 669.465 21.647  617.445 40.847  52.02057       46.22843 
1 1 1 -9  4  23 o 508.430  15.105  2267.93    134.092 2443.73    189.824 2092.83    189.446 526.647 20.643  487.006 22.279  39.64078       30.37208 
1 1 1 -9  4  24 o 1072.95  29.700  10243.11   556.414 10431.27   787.034 10055.08   786.742 1072.71 42.019  1052.45 42.812  20.26038       59.98753 
1 1 1 -9  4  25 o 253.803  10.254  563.671    45.442  653.299    64.768  476.776    63.773  273.001 13.587  232.527 15.801  40.47375       20.83959 
1 1 1 -9  4  26 o 209.568  11.844  385.832    43.163  389.569    75.127  383.991    52.735  209.233 20.841  208.733 14.560  0.5000458      25.42347 
1 1 1 -9  4  27 o 210.303  11.908  388.573    43.545  478.522    75.850  344.353    53.183  232.451 18.850  197.468 15.550  34.98305       24.43669 
1 1 1 -9  4  28 o 329.833  14.127  954.062    81.361  1000.17    141.209 931.146    99.546  335.401 24.276  324.977 17.609  10.42346       29.99017 
1 1 1 -9  4  29 o 667.745  22.439  3937.73    261.629 4269.18    453.416 3772.29    320.336 687.079 37.941  651.429 28.163  35.65002       47.25138 
1 1 1 -9  4  30 o 572.927  20.057  2892.63    200.646 3103.84    347.805 2787.27    245.643 587.447 34.054  560.927 25.080  26.51978       42.29327 
1 1 1 -9  4  31 o 557.959  19.984  2743.78    194.690 2646.80    337.455 2792.17    238.360 541.279 35.909  561.590 24.308  -20.31122      43.36299 
1 1 1 -9  4  32 o 318.082  13.978  887.511    77.635  959.707    134.971 851.814    94.907  328.497 23.690  310.709 17.566  17.78729       29.49208 
1 1 1 -9  4  33 o 178.548  10.944  280.194    33.954  198.014    59.659  319.566    41.294  147.742 23.946  190.547 12.480  -42.80556      27.00324 
1 1 1 -9  4  34 o 324.660  14.077  924.911    79.802  979.786    138.608 897.702    97.602  331.698 24.097  318.921 17.595  12.77710       29.83695 
1 1 1 -9  4  35 o 687.138  23.483  4182.53    281.753 4189.40    488.327 4179.10    344.963 676.276 41.556  684.333 28.870  -8.057312      50.59992 
1 1 1 -9  4  36 o 201.218  14.273  357.220    49.821  420.524    71.179  296.419    69.758  217.604 18.922  181.683 22.468  35.92076       29.37479 
1 1 1 -9  4  37 o 226.227  15.798  452.142    62.011  493.289    87.166  409.978    88.236  235.220 21.460  213.655 24.072  21.56459       32.24831 
1 1 1 -9  4  38 o 309.507  17.003  846.020    91.533  671.109    128.885 1024.02    130.018 272.930 27.416  339.337 22.064  -66.40677      35.19124 
1 1 1 -9  4  39 o 250.515  12.659  552.034    55.193  515.798    66.915  629.152    97.617  241.589 15.953  265.770 21.212  -24.18085      26.54161 
1 1 1 -9  4  40 o 558.289  19.339  2754.79    188.522 2607.96    230.685 3050.03    327.117 541.251 24.409  580.260 32.416  -39.00885      40.57850 
1 1 1 -9  4  41 o 154.932  10.123  211.206    27.234  177.896    37.710  247.515    39.372  141.319 15.539  167.294 13.596  -25.97476      20.64753 
1 1 1 -9  4  42 o 117.184  10.330  121.288    20.920  114.460    28.967  128.732    30.244  113.055 15.048  120.066 14.736  -7.011017      21.06133 
1 1 1 -9  4  43 o 197.448  10.402  342.771    35.734  305.841    50.010  381.294    51.078  185.635 15.573  207.680 14.170  -22.04510      21.05489 
1 1 1 -9  4  44 o 344.393  14.290  1044.64    85.933  989.044    104.904 1158.04    149.824 333.764 18.068  358.995 24.041  -25.23102      30.07341 
1 1 1 -9  4  45 o 227.994  12.232  458.302    48.519  414.231    58.842  551.905    85.755  216.019 15.708  248.356 19.943  -32.33661      25.38651 
1 1 1 -9  4  46 o 352.223  12.416  1091.67    76.358  1031.31    107.768 1152.52    108.205 340.356 18.200  360.613 17.185  -20.25635      25.03115 
1 1 1 -9  4  47 o 204.868  10.392  369.569    37.053  368.277    52.163  370.885    52.642  203.629 14.772  204.332 14.856  -0.7031250     20.95016 
1 1 1 -9  4  48 o 230.413  10.753  466.770    43.262  466.772    61.108  466.769    61.257  229.086 15.366  229.076 15.404  0.1049805E-01  21.75788 
1 1 1 -9  4  49 o 97.161   10.165  83.870     16.989  75.769     24.133  91.829     23.921  91.177  15.727  100.994 13.937  -9.816795      21.01326 
1 1 1 -9  4  50 o 156.786  14.376  219.570    38.917  0.0000     0.0000  219.570    38.917  ?       ?       156.786 14.376  0.000000       14.37601 
1 1 1 -9  4  51 o 110.133  13.567  108.975    25.538  0.0000     0.0000  108.975    25.538  ?       ?       110.133 13.567  0.000000       13.56705 
1 1 1 -9  4  52 o 167.364  13.955  250.270    40.408  0.0000     0.0000  250.270    40.408  ?       ?       167.364 13.955  0.000000       13.95455 
1 1 1 -9  4  53 o 196.526  14.774  345.896    50.326  0.0000     0.0000  345.896    50.326  ?       ?       196.526 14.774  0.000000       14.77401 
1 1 1 -9  4  54 o 68.538   11.829  42.730     13.644  40.275     19.187  45.242     19.407  65.746  16.686  69.711  16.244  -3.965263      23.28710 
1 1 1 -9  4  55 o 47.598   12.987  20.800     11.093  32.517     15.102  7.0707     16.348  59.182  14.684  39.216  15.711  19.96576       21.50525 
1 1 1 -9  4  56 o 138.934  10.377  171.615    24.991  150.031    34.863  194.429    35.843  128.264 15.908  146.842 14.155  -18.57806      21.29386 
1 1 1 -9  4  57 o 150.753  10.050  201.878    26.302  196.886    36.407  207.328    38.039  147.579 14.308  151.381 14.571  -3.802246      20.42175 
1 1 1 -9  4  58 o 228.926  10.439  464.572    41.728  426.391    58.282  504.726    59.769  216.856 15.494  236.531 14.542  -19.67436      21.24979 
1 1 1 -9  4  59 f 202.189  11.872  365.723    41.730  344.084    50.262  413.733    74.867  194.754 14.894  210.156 20.670  -15.40169      25.47694 
1 1 1 -9  4  60 o 135.269  12.043  164.727    28.146  142.769    33.329  219.323    52.554  124.544 15.673  152.413 20.249  -27.86893      25.60630 
1 1 1 -9  4  61 o 233.149  12.142  488.031    49.259  440.471    59.275  594.191    88.559  219.526 15.565  251.274 20.360  -31.74872      25.62792 
1 1 1 -9  4  62 o 140.456  16.409  182.924    39.484  162.995    53.462  206.837    58.564  127.886 24.837  145.019 23.966  -17.13260      34.51426 
1 1 1 -9  4  63 o 183.282  15.439  308.992    48.949  216.178    67.282  413.357    71.346  145.288 27.530  208.895 19.797  -63.60730      33.90886 
1 1 1 -9  4  64 o 95.959   24.766  93.999     41.776  93.999     41.776  0.0000     0.0000  95.959  24.766  ?       ?       0.000000       24.76565 
1 1 1 -9  4  65 o 136.659  15.358  173.499    36.012  173.499    36.012  0.0000     0.0000  136.659 15.358  ?       ?       0.000000       15.35806 
1 1 1 -9  4  66 o 136.244  12.144  169.005    28.587  150.627    34.158  211.969    52.227  126.803 15.768  147.247 20.900  -20.44356      26.18100 
1 1 1 -9  4  67 o 72.718   15.971  50.873     19.724  71.008     22.877  -7.4520    38.936  86.335  15.756  48.991  21.971  37.34372       27.03665 
1 1 1 -9  5  1  o 339.319  17.597  1015.94    103.903 900.796    146.647 1132.01    147.236 317.220 26.725  356.717 23.775  -39.49707      35.76972 
1 1 1 -9  5  2  o 518.540  23.022  2379.47    208.441 2291.23    294.645 2467.88    294.916 503.963 33.678  523.720 32.410  -19.75766      46.73965 
1 1 1 -9  5  3  o 477.755  17.417  2008.10    145.290 2003.79    251.603 2010.26    177.960 472.536 30.660  477.090 21.363  -4.554260      37.36846 
1 1 1 -9  5  4  o 506.696  18.439  2260.66    163.132 2294.67    282.484 2243.64    199.819 505.175 32.193  503.677 22.721  1.497345       39.40306 
1 1 1 -9  5  5  o 285.010  13.126  712.227    65.319  757.467    113.125 689.600    80.003  291.912 22.364  279.629 16.458  12.28302       27.76760 
1 1 1 -9  5  6  o 576.176  20.135  2927.39    202.562 3013.50    350.719 2884.28    248.133 577.896 34.921  570.416 24.913  7.480591       42.89725 
1 1 1 -9  5  7  o 215.891  11.923  409.568    44.772  499.981    77.495  364.268    54.853  237.551 18.838  203.073 15.589  34.47795       24.45150 
1 1 1 -9  5  8  o 967.984  31.171  8374.05    526.848 8652.28    912.365 8234.86    645.312 959.952 54.658  953.912 38.743  6.039856       66.99699 
1 1 1 -9  5  9  o 546.560  19.125  2631.10    182.516 2490.38    315.917 2701.60    223.610 525.480 34.625  552.701 23.171  -27.22113      41.66290 
1 1 1 -9  5  10 f 442.750  16.014  1721.94    123.799 1591.68    214.206 1787.28    151.699 421.711 29.272  450.450 19.287  -28.73911      35.05502 
1 1 1 -9  5  11 o 507.957  21.483  2277.48    190.538 0.0000     0.0000  2277.48    190.538 ?       ?       507.957 21.483  0.000000       21.48286 
1 1 1 -9  5  12 o 491.994  22.947  2139.77    197.127 0.0000     0.0000  2139.77    197.127 ?       ?       491.994 22.947  0.000000       22.94689 
1 1 1 -9  5  13 o 281.241  16.056  696.983    78.519  0.0000     0.0000  696.983    78.519  ?       ?       281.241 16.056  0.000000       16.05603 
1 1 1 -9  5  14 o 483.143  31.630  2094.35    265.360 0.0000     0.0000  2094.35    265.360 ?       ?       483.143 31.630  0.000000       31.63005 
1 1 1 -9  5  15 o 56.944   11.877  29.463     11.427  37.594     14.697  17.034     18.170  64.285  13.522  47.853  17.140  16.43150       21.83177 
1 1 1 -9  5  16 o 299.366  13.541  785.805    70.780  824.774    86.726  708.076    122.485 305.979 16.292  281.618 25.175  24.36081       29.98627 
1 1 1 -9  5  17 o 271.552  12.732  646.242    60.371  580.660    73.908  777.739    104.654 256.539 16.588  296.347 20.348  -39.80789      26.25329 
1 1 1 -9  5  18 o 211.192  12.199  392.050    44.793  383.068    54.855  410.023    77.596  208.360 15.182  214.612 20.975  -6.252396      25.89340 
1 1 1 -9  5  19 o 419.437  15.791  1544.96    115.647 1528.64    141.677 1577.55    200.199 416.580 19.478  420.522 27.415  -3.941772      33.62995 
1 1 1 -9  5  20 o 259.872  12.109  591.638    54.943  647.044    67.372  481.617    94.937  271.214 14.277  232.165 23.754  39.04912       27.71421 
1 1 1 -9  5  21 f 501.723  18.394  2215.36    161.143 2122.31    197.418 2401.11    278.944 489.953 23.076  517.682 31.002  -27.72897      38.64800 
1 1 1 -9  5  22 f 290.481  13.033  739.657    66.103  767.876    81.056  683.619    114.224 295.279 15.778  276.965 23.852  18.31351       28.59855 
1 1 1 -9  5  23 f 261.380  22.713  608.253    102.627 0.0000     0.0000  608.253    102.627 ?       ?       261.380 22.713  0.000000       22.71260 
1 1 1 -9  5  24 o 162.724  13.992  233.965    39.370  0.0000     0.0000  233.965    39.370  ?       ?       162.724 13.992  0.000000       13.99242 
1 1 1 -9  5  25 o 169.574  12.879  253.505    37.848  0.0000     0.0000  253.505    37.848  ?       ?       169.574 12.879  0.000000       12.87877 
1 1 1 -9  5  26 o 325.077  24.911  942.075    140.320 0.0000     0.0000  942.075    140.320 ?       ?       325.077 24.911  0.000000       24.91077 
1 1 1 -9  5  27 o 43.566   15.105  14.954     14.025  14.954     14.025  0.0000     0.0000  43.566  15.105  ?       ?       0.000000       15.10453 
1 1 1 -9  5  28 o 661.315  40.639  3993.46    466.985 3993.46    466.985 0.0000     0.0000  661.315 40.639  ?       ?       0.000000       40.63871 
1 1 1 -9  5  29 o 116.936  20.836  124.253    40.984  124.253    40.984  0.0000     0.0000  116.936 20.836  ?       ?       0.000000       20.83638 
1 1 1 -9  5  30 o 187.205  14.966  309.735    48.511  302.510    67.121  317.636    70.193  183.843 21.305  188.348 21.743  -4.504852      30.44103 
1 1 1 -9  5  31 o 269.744  15.860  641.809    74.371  554.672    104.353 731.750    106.020 248.909 24.321  286.958 21.312  -38.04887      32.33757 
1 1 1 -9  5  32 f 543.354  18.599  2602.80    176.451 2483.24    305.613 2662.59    216.111 524.037 33.577  548.300 22.573  -24.26245      40.45924 
1 1 1 -9  5  33 o 440.353  14.754  1703.70    113.439 1551.64    227.137 1754.23    130.938 414.452 31.626  446.417 16.798  -31.96518      35.81025 
1 1 1 -9  5  34 o 122.292  11.466  132.225    24.198  100.079    49.412  142.367    27.754  104.003 26.979  126.763 12.710  -22.76027      29.82357 
1 1 1 -9  5  35 o 114.295  9.4375  115.142    18.666  190.703    38.749  92.311     21.300  146.464 15.382  101.869 12.219  44.59503       19.64405 
1 1 1 -9  5  36 o 421.686  14.375  1562.96    105.843 1129.50    211.846 1707.16    122.186 351.159 35.017  440.379 15.890  -89.21960      38.45410 
1 1 1 -9  5  37 o 782.506  22.005  5434.88    300.663 5455.16    601.529 5428.13    347.137 762.836 45.365  779.835 25.494  -16.99860      52.03809 
1 1 1 -9  5  38 o 235.732  10.441  487.061    42.978  541.130    86.448  469.310    49.533  246.337 20.278  230.894 12.331  15.44307       23.73315 
1 1 1 -9  5  39 o 249.733  11.432  547.213    49.852  577.492    86.441  532.124    61.022  254.602 19.595  245.514 14.297  9.088150       24.25599 
1 1 1 -9  5  40 o 106.617  10.028  100.518    18.450  86.030     25.823  115.623    26.368  97.590  15.686  113.875 13.526  -16.28436      20.71232 
1 1 1 -9  5  41 f 704.944  22.628  4435.60    278.526 4170.96    482.412 4567.94    341.127 665.319 41.738  711.719 27.450  -46.39984      49.95561 
1 1 1 -9  5  42 o 22.378   9.8025  -1.7841    7.3135  -30.2862   20.872  2.2052     7.8086  29.299  14.067  26.347  10.748  2.952549       17.70329 
1 1 1 -9  5  43 o 366.891  18.637  1198.89    119.002 1173.29    167.563 1224.94    169.034 359.128 26.918  367.189 26.543  -8.061188      37.80363 
1 1 1 -9  5  44 o 134.473  14.890  161.686    34.375  160.095    46.180  163.663    51.476  132.401 20.649  133.257 22.952  -0.8555908     30.87360 
1 1 1 -9  5  45 o 123.377  13.836  136.042    29.294  110.993    38.344  171.157    45.399  109.649 20.788  137.186 19.502  -27.53742      28.50387 
1 1 1 -9  5  46 o 226.037  11.591  451.113    45.593  414.523    77.653  470.362    56.322  213.886 21.066  230.216 14.079  -16.33006      25.33793 
1 1 1 -9  5  47 o 350.489  13.699  1086.73    83.837  1081.53    144.534 1089.36    102.920 344.149 24.207  349.737 16.854  -5.587250      29.49594 
1 1 1 -9  5  48 o 213.727  10.236  402.016    38.200  396.978    53.736  407.162    54.315  211.012 14.676  213.723 14.643  -2.711243      20.73171 
1 1 1 -9  5  49 o 96.730   9.6873  83.129     16.142  91.113     22.955  75.319     22.703  100.562 13.407  90.949  14.806  9.613022       19.97385 
1 1 1 -9  5  50 o 27.995   11.004  3.9998     7.8740  7.8890     11.572  0.6469     10.745  35.464  13.498  29.080  12.293  6.383596       18.25731 
1 1 1 -9  5  51 o 87.003   10.581  67.760     15.744  68.694     21.718  66.726     22.856  86.619  14.897  85.071  15.973  1.548195       21.84171 
1 1 1 -9  5  52 o 158.492  10.022  222.502    27.592  216.749    38.704  228.447    39.346  155.227 14.446  159.445 14.284  -4.217438      20.31561 
1 1 1 -9  5  53 o 264.950  12.823  624.482    59.324  704.492    101.941 583.511    72.949  276.239 21.299  254.066 16.534  22.17273       26.96374 
1 1 1 -9  5  54 o 233.191  15.327  490.560    62.059  450.722    85.894  534.068    89.762  219.288 22.765  239.591 21.692  -20.30289      31.44459 
1 1 1 -9  5  55 o 262.791  16.706  627.829    76.260  571.863    107.836 683.819    107.859 244.328 25.660  269.518 23.144  -25.19008      34.55582 
1 1 1 -9  5  56 o 131.416  15.671  158.104    35.249  144.305    49.273  172.569    50.446  121.850 24.013  134.416 22.274  -12.56618      32.75292 
1 1 1 -9  5  57 o 100.272  12.976  91.459     22.186  84.308     39.812  94.681     26.720  92.383  24.340  101.177 15.628  -8.794365      28.92561 
1 1 1 -9  5  58 o 226.643  15.814  469.272    62.188  474.834    88.849  463.930    87.073  222.471 23.215  220.061 23.001  2.409805       32.67959 
1 1 1 -9  5  59 o 103.848  21.997  105.444    38.646  0.0000     0.0000  105.444    38.646  ?       ?       103.848 21.997  0.000000       21.99737 
1 1 1 -9  5  60 o 122.195  12.006  135.128    25.286  142.504    31.285  121.233    42.940  124.465 14.678  110.765 22.956  13.70068       27.24752 
1 1 1 -9  5  61 f 20.534   9.4310  -5.4937    7.7203  -13.5023   8.9375  18.049     15.324  18.890  9.1037  45.940  15.796  -27.05001      18.23196 
1 1 1 -9  5  62 o 118.728  11.860  127.941    24.257  140.555    29.989  104.070    41.255  123.535 14.159  101.470 23.711  22.06511       27.61712 
1 1 1 -9  5  63 o 121.648  10.524  133.393    22.133  121.625    30.073  147.301    32.693  114.053 15.503  125.834 15.187  -11.78146      21.70192 
1 1 1 -9  5  64 o 37.493   13.281  11.397     10.879  14.245     13.785  6.6927     17.715  41.809  14.934  39.493  16.159  2.316051       22.00315 
1 1 1 -9  5  65 o 68.417   12.974  43.907     14.932  41.109     19.791  47.603     22.750  64.966  17.183  69.535  18.438  -4.568970      25.20303 
1 1 1 -9  5  66 o 38.424   14.411  10.826     13.079  11.137     13.949  8.5645     37.609  39.294  14.852  52.971  22.715  -13.67767      27.13975 
1 1 1 -9  6  1  o 275.859  12.990  667.633    62.567  622.236    76.510  759.274    108.706 265.399 16.594  292.195 21.457  -26.79565      27.12464 
1 1 1 -9  6  2  o 603.460  20.387  3217.41    214.817 3047.39    263.028 3557.99    372.264 585.243 25.740  627.104 34.126  -41.86151      42.74483 
1 1 1 -9  6  3  o 323.042  12.154  914.911    68.553  896.466    97.062  933.268    96.834  318.581 17.516  325.157 17.116  -6.576477      24.49036 
1 1 1 -9  6  4  o 385.331  13.055  1302.53    87.835  1233.65    124.253 1371.34    124.182 373.507 19.116  394.521 18.027  -21.01419      26.27560 
1 1 1 -9  6  5  o 93.075   10.151  76.742     16.229  68.678     23.280  84.367     22.637  87.052  15.902  97.102  13.735  -10.05027      21.01196 
1 1 1 -9  6  6  o 84.915   10.111  64.017     14.696  65.158     21.353  62.991     20.257  84.898  14.951  83.533  14.409  1.364784       20.76398 
1 1 1 -9  6  7  o 341.868  12.293  1024.61    73.379  978.258    103.713 1071.06    103.834 332.802 17.914  348.865 17.046  -16.06296      24.72775 
1 1 1 -9  6  8  o 138.402  9.4232  168.411    22.637  185.223    31.981  151.531    32.045  144.777 12.782  130.615 14.284  14.16148       19.16805 
1 1 1 -9  6  9  o 341.533  12.132  1022.43    72.346  989.602    102.255 1055.34    102.371 334.827 17.552  346.331 16.929  -11.50378      24.38518 
1 1 1 -9  6  10 o 214.671  10.345  403.494    38.777  398.841    54.796  408.162    54.882  212.594 14.855  215.100 14.701  -2.505676      20.89926 
1 1 1 -9  6  11 o 301.331  13.161  796.427    69.246  814.442    120.117 787.460    84.746  302.466 22.914  298.824 16.304  3.642059       28.12232 
1 1 1 -9  6  12 o 165.083  11.593  239.948    33.203  246.021    58.497  237.061    40.330  165.680 20.670  163.727 14.249  1.953751       25.10608 
1 1 1 -9  6  13 o 511.647  18.173  2305.74    162.354 2385.50    199.018 2147.07    280.708 519.375 21.946  487.733 33.159  31.64175       39.76313 
1 1 1 -9  6  14 o 123.388  10.015  134.146    21.390  132.474    24.985  138.737    41.395  122.387 11.840  123.918 19.798  -1.530846      23.06825 
1 1 1 -9  6  15 o 450.284  14.629  1780.30    115.017 1804.17    132.896 1709.07    229.593 452.879 16.806  436.117 30.339  16.76227       34.68318 
1 1 1 -9  6  16 o 590.323  17.431  3067.23    179.669 3170.19    207.538 2759.23    358.949 599.435 19.829  550.700 37.554  48.73505       42.46723 
1 1 1 -9  6  17 o 599.394  18.007  3164.01    188.454 3201.99    217.680 3050.35    376.536 602.141 20.704  579.185 37.433  22.95581       42.77737 
1 1 1 -9  6  18 o 739.703  24.114  4852.11    311.450 5007.25    381.610 4542.63    538.986 748.741 29.189  701.836 44.208  46.90491       52.97546 
1 1 1 -9  6  19 o 203.393  10.163  362.178    36.093  360.754    41.880  366.291    71.162  202.542 11.894  202.702 20.382  -0.1599274     23.59896 
1 1 1 -9  6  20 o 259.273  10.094  588.513    45.696  630.392    52.979  466.834    90.306  268.244 11.311  228.503 22.944  39.74081       25.58064 
1 1 1 -9  6  21 o 154.760  11.117  210.884    29.840  210.884    29.840  0.0000     0.0000  154.760 11.117  ?       ?       0.000000       11.11665 
1 1 1 -9  6  22 o 112.962  11.566  112.976    22.491  112.976    22.491  0.0000     0.0000  112.962 11.566  ?       ?       0.000000       11.56580 
1 1 1 -9  6  23 o 126.220  14.495  141.719    31.366  141.719    31.366  0.0000     0.0000  126.220 14.495  ?       ?       0.000000       14.49497 
1 1 1 -9  6  24 o 418.169  20.508  1545.02    149.740 1545.02    149.740 0.0000     0.0000  418.169 20.508  ?       ?       0.000000       20.50798 
1 1 1 -9  6  25 o 530.880  23.962  2501.63    222.114 2501.63    222.114 0.0000     0.0000  530.880 23.962  ?       ?       0.000000       23.96168 
1 1 1 -9  6  26 o 617.095  26.819  3395.48    288.969 3395.48    288.969 0.0000     0.0000  617.095 26.819  ?       ?       0.000000       26.81860 
1 1 1 -9  6  27 o 198.801  21.571  353.817    73.675  353.817    73.675  0.0000     0.0000  198.801 21.571  ?       ?       0.000000       21.57067 
1 1 1 -9  6  28 o 285.542  24.242  729.684    119.721 0.0000     0.0000  729.684    119.721 ?       ?       285.542 24.242  0.000000       24.24162 
1 1 1 -9  6  29 o 280.409  24.122  704.011    116.956 0.0000     0.0000  704.011    116.956 ?       ?       280.409 24.122  0.000000       24.12212 
1 1 1 -9  6  30 o 566.758  36.166  2934.57    356.031 0.0000     0.0000  2934.57    356.031 ?       ?       566.758 36.166  0.000000       36.16588 
1 1 1 -9  6  31 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -9  6  32 o 714.254  44.283  4773.64    549.546 4773.64    549.546 0.0000     0.0000  714.254 44.283  ?       ?       0.000000       44.28279 
1 1 1 -9  6  33 o 310.059  24.908  863.378    133.708 863.378    133.708 0.0000     0.0000  310.059 24.908  ?       ?       0.000000       24.90759 
1 1 1 -9  6  34 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -9  6  35 o 370.942  27.317  1243.12    175.688 0.0000     0.0000  1243.12    175.688 ?       ?       370.942 27.317  0.000000       27.31744 
1 1 1 -9  6  36 o 289.265  24.336  753.533    121.772 0.0000     0.0000  753.533    121.772 ?       ?       289.265 24.336  0.000000       24.33567 
1 1 1 -9  6  37 o 162.078  22.553  238.674    62.095  0.0000     0.0000  238.674    62.095  ?       ?       162.078 22.553  0.000000       22.55296 
1 1 1 -9  6  38 o 204.966  22.296  379.482    78.508  0.0000     0.0000  379.482    78.508  ?       ?       204.966 22.296  0.000000       22.29639 
1 1 1 -9  6  39 o 46.811   19.608  3.7179     26.934  0.0000     0.0000  3.7179     26.934  ?       ?       46.811  19.608  0.000000       19.60826 
1 1 1 -9  6  40 f 267.065  15.901  633.409    73.816  0.0000     0.0000  633.409    73.816  ?       ?       267.065 15.901  0.000000       15.90148 
1 1 1 -9  6  41 o 130.479  11.671  150.991    26.310  152.088    45.425  150.437    32.274  128.815 20.913  129.691 14.500  -0.8757629     25.44852 
1 1 1 -9  6  42 o 100.683  9.8490  89.880     17.093  80.087     23.628  100.631    24.756  94.015  14.890  105.881 13.713  -11.86608      20.24245 
1 1 1 -9  6  43 o 125.567  11.832  140.166    25.636  143.213    44.457  138.648    31.378  124.599 21.193  124.266 14.749  0.3330841      25.82052 
1 1 1 -9  6  44 o 107.319  10.650  102.366    19.693  110.958    27.218  92.927     28.529  111.008 14.380  100.858 16.790  10.15005       22.10676 
1 1 1 -9  6  45 o 254.553  10.948  571.129    48.662  502.746    68.467  640.934    69.175  236.807 16.665  268.213 14.828  -31.40591      22.30699 
1 1 1 -9  6  46 o 34.754   11.879  9.8118     8.6623  6.4523     10.626  16.469     14.957  33.342  12.873  45.089  15.600  -11.74703      20.22597 
1 1 1 -9  6  47 o 164.000  10.410  238.099    29.656  236.858    41.484  239.396    42.410  162.442 14.788  163.237 15.049  -0.7946930     21.09847 
1 1 1 -9  6  48 o 234.477  15.714  493.933    63.963  493.933    63.963  0.0000     0.0000  234.477 15.714  ?       ?       0.000000       15.71393 
1 1 1 -9  6  49 o 176.105  11.931  276.131    36.470  241.393    44.149  350.755    64.708  163.434 15.663  195.751 19.178  -32.31741      24.76150 
1 1 1 -9  6  50 o 253.069  12.585  569.502    55.609  528.924    67.702  653.646    97.493  241.998 16.115  266.025 21.164  -24.02678      26.60047 
1 1 1 -9  6  51 o 227.816  11.995  462.534    47.544  420.526    57.523  553.106    84.464  215.784 15.368  244.956 19.920  -29.17258      25.15922 
1 1 1 -9  6  52 o 155.032  10.170  213.658    27.377  187.059    37.703  243.322    39.816  143.378 15.296  164.212 14.021  -20.83423      20.75005 
1 1 1 -9  6  53 o 186.536  15.249  315.979    49.231  325.971    69.242  305.763    70.012  185.905 21.742  179.286 22.887  6.618805       31.56775 
1 1 1 -9  6  54 o 187.363  15.361  319.729    49.811  309.291    70.576  330.090    70.310  179.788 23.010  186.467 22.020  -6.678619      31.84864 
1 1 1 -9  6  55 o 260.783  13.500  613.468    61.261  602.206    74.935  636.161    106.373 256.095 16.852  256.956 23.986  -0.8604736     29.31429 
1 1 1 -9  6  56 o 116.445  14.903  124.851    29.606  122.580    39.696  127.698    44.445  112.679 20.947  113.943 23.129  -1.264526      31.20506 
1 1 1 -9  6  57 o 180.493  14.667  297.874    45.822  274.250    63.173  324.103    66.566  168.554 21.989  184.068 21.092  -15.51366      30.46932 
1 1 1 -9  6  58 o 128.611  10.060  148.235    22.412  132.014    30.193  168.137    33.445  119.546 14.780  135.282 14.379  -15.73602      20.62042 
1 1 1 -9  6  59 o 140.329  12.780  179.298    30.971  169.184    53.511  184.393    37.978  129.556 24.554  140.885 15.706  -11.32996      29.14724 
1 1 1 -9  6  60 o 112.933  13.336  117.274    25.790  122.140    42.755  114.490    32.335  110.260 22.954  109.665 17.473  0.5946274      28.84768 
1 1 1 -9  6  61 o 35.743   14.907  3.6533     15.470  -7.6264    23.004  12.965     20.901  37.557  16.862  45.453  17.908  -7.896694      24.59739 
1 1 1 -9  6  62 o 129.727  10.141  151.682    22.787  107.407    30.117  210.975    34.852  106.076 16.822  151.507 13.309  -45.43082      21.45008 
1 1 1 -9  6  63 o 34.577   13.079  8.3115     10.823  2.9301     12.603  23.426     21.122  32.299  13.461  51.826  18.489  -19.52778      22.87036 
1 1 1 -9  6  64 o 87.275   12.002  70.438     17.806  72.128     22.455  67.577     29.224  86.871  15.366  81.554  20.535  5.316605       25.64761 
1 1 1 -9  7  1  o 503.437  18.143  2237.66    159.482 2132.52    195.238 2448.49    276.479 489.878 22.825  520.510 30.555  -30.63162      38.13895 
1 1 1 -9  7  2  f 356.737  14.616  1119.08    91.039  1096.69    111.384 1164.16    158.011 352.004 18.184  360.460 25.265  -8.456726      31.12871 
1 1 1 -9  7  3  o 260.684  12.907  596.598    58.748  569.058    71.836  652.212    102.082 253.667 16.305  270.339 21.812  -16.67133      27.23261 
1 1 1 -9  7  4  o 420.983  13.723  1556.94    100.874 1540.56    142.723 1573.30    142.592 417.418 19.582  421.891 19.357  -4.472931      27.53435 
1 1 1 -9  7  5  f 581.421  17.332  2980.54    175.951 2952.16    248.775 3008.95    248.889 575.720 24.748  581.336 24.520  -5.616943      34.83756 
1 1 1 -9  7  6  o 217.337  10.515  413.874    39.901  383.138    56.241  445.023    56.618  208.092 15.592  224.542 14.519  -16.44971      21.30503 
1 1 1 -9  7  7  o 184.778  9.9996  299.916    32.142  272.858    45.303  327.344    45.611  175.532 14.923  192.577 13.653  -17.04498      20.22580 
1 1 1 -9  7  8  o 168.781  10.131  250.419    29.718  237.064    41.820  264.043    42.240  163.550 14.805  172.786 14.124  -9.236252      20.46152 
1 1 1 -9  7  9  o 273.973  11.087  657.909    53.039  605.532    74.824  710.804    75.194  261.717 16.457  283.879 15.226  -22.16193      22.42019 
1 1 1 -9  7  10 o 203.499  10.080  362.722    35.817  340.606    50.522  385.067    50.784  196.276 14.852  208.898 14.004  -12.62161      20.41291 
1 1 1 -9  7  11 o 422.709  14.238  1570.11    105.085 1557.30    121.396 1608.41    209.887 420.508 16.534  422.820 28.598  -2.311737      33.03307 
1 1 1 -9  7  12 o 469.037  18.021  1940.65    147.586 1871.80    180.866 2077.84    255.314 459.304 22.552  479.798 30.636  -20.49429      38.04145 
1 1 1 -9  7  13 o 280.108  12.945  688.670    63.312  748.795    77.783  570.638    108.983 291.369 15.343  251.954 25.107  39.41566       29.42417 
1 1 1 -9  7  14 o 766.542  25.665  5238.47    343.506 5285.18    420.866 5145.27    594.521 765.965 31.468  741.590 46.142  24.37488       55.85114 
1 1 1 -9  7  15 o 709.795  20.820  4459.94    258.029 4471.36    298.014 4425.74    515.708 709.059 24.071  690.617 42.980  18.44214       49.26101 
1 1 1 -9  7  16 o 506.746  15.943  2260.35    141.067 2269.61    162.991 2232.72    281.611 507.093 18.408  496.226 32.685  10.86710       37.51215 
1 1 1 -9  7  17 o 329.008  12.045  949.502    69.196  962.591    80.085  910.950    137.445 331.016 13.856  318.908 24.880  12.10757       28.47815 
1 1 1 -9  7  18 o 551.713  19.760  2691.54    190.351 2691.54    190.351 0.0000     0.0000  551.713 19.760  ?       ?       0.000000       19.75962 
1 1 1 -9  7  19 o 555.222  16.524  2715.73    160.189 2766.49    185.089 2564.23    319.762 559.598 18.943  530.442 34.716  29.15533       39.54767 
1 1 1 -9  7  20 o 155.104  9.3914  211.416    25.314  240.281    29.791  136.435    48.015  165.278 10.376  121.943 23.402  43.33511       25.59859 
1 1 1 -9  7  21 o 88.511   16.325  71.156     24.300  71.156     24.300  0.0000     0.0000  88.511  16.325  ?       ?       0.000000       16.32472 
1 1 1 -9  7  22 o 137.326  15.140  167.909    35.700  167.909    35.700  0.0000     0.0000  137.326 15.140  ?       ?       0.000000       15.14007 
1 1 1 -9  7  23 o 433.940  30.001  1703.30    225.921 1703.30    225.921 0.0000     0.0000  433.940 30.001  ?       ?       0.000000       30.00129 
1 1 1 -9  7  24 o 354.835  26.809  1133.46    164.875 1133.46    164.875 0.0000     0.0000  354.835 26.809  ?       ?       0.000000       26.80917 
1 1 1 -9  7  25 o 375.803  27.658  1273.81    180.214 1273.81    180.214 0.0000     0.0000  375.803 27.658  ?       ?       0.000000       27.65847 
1 1 1 -9  7  26 o 69.531   24.610  37.892     37.351  37.892     37.351  0.0000     0.0000  69.531  24.610  ?       ?       0.000000       24.60980 
1 1 1 -9  7  27 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -9  7  28 o ?        ?       -215.2021  11.584  0.0000     0.0000  -215.2021  11.584  ?       ?       ?       ?       0.000000       ?        
1 1 1 -9  7  29 o ?        ?       -143.5069  11.054  0.0000     0.0000  -143.5069  11.054  ?       ?       ?       ?       0.000000       ?        
1 1 1 -9  7  30 o ?        ?       -60.2351   14.959  0.0000     0.0000  -60.2351   14.959  ?       ?       ?       ?       0.000000       ?        
1 1 1 -9  7  31 o 374.699  27.592  1273.62    179.253 0.0000     0.0000  1273.62    179.253 ?       ?       374.699 27.592  0.000000       27.59235 
1 1 1 -9  7  32 o 50.831   17.690  20.538     19.245  27.302     23.441  6.5530     33.708  57.515  19.542  53.045  22.053  4.470123       29.46578 
1 1 1 -9  7  33 o 155.305  22.640  220.014    59.589  0.0000     0.0000  220.014    59.589  ?       ?       155.305 22.640  0.000000       22.64033 
1 1 1 -9  7  34 o 151.538  22.825  210.081    58.521  0.0000     0.0000  210.081    58.521  ?       ?       151.538 22.825  0.000000       22.82505 
1 1 1 -9  7  35 o 285.303  24.323  738.597    120.011 0.0000     0.0000  738.597    120.011 ?       ?       285.303 24.323  0.000000       24.32316 
1 1 1 -9  7  36 o 273.279  23.977  678.661    113.252 0.0000     0.0000  678.661    113.252 ?       ?       273.279 23.977  0.000000       23.97658 
1 1 1 -9  7  37 o 77.086   21.529  54.959     30.090  54.959     30.090  0.0000     0.0000  77.086  21.529  ?       ?       0.000000       21.52852 
1 1 1 -9  7  38 o 294.095  24.584  790.566    125.082 790.566    125.082 0.0000     0.0000  294.095 24.584  ?       ?       0.000000       24.58362 
1 1 1 -9  7  39 o 229.377  22.524  480.117    89.047  480.117    89.047  0.0000     0.0000  229.377 22.524  ?       ?       0.000000       22.52406 
1 1 1 -9  7  40 o 160.860  14.926  231.648    41.445  224.309    57.464  239.603    59.833  156.170 21.656  161.445 21.781  -5.274551      30.71519 
1 1 1 -9  7  41 f 127.872  15.035  147.302    32.929  129.671    45.130  167.373    48.153  117.570 22.807  134.527 21.202  -16.95712      31.13947 
1 1 1 -9  7  42 o 270.766  16.162  657.077    76.063  569.422    106.829 747.204    108.325 247.518 25.064  285.806 21.873  -38.28806      33.26581 
1 1 1 -9  7  43 o 140.682  14.872  178.250    35.978  140.990    49.681  219.338    52.171  121.869 24.201  154.538 19.789  -32.66869      31.26136 
1 1 1 -9  7  44 o 77.325   17.614  55.879     23.250  55.742     31.232  56.048     34.821  76.987  22.085  77.481  23.608  -0.4939041     32.32730 
1 1 1 -9  7  45 o 88.466   16.913  72.618     25.172  56.992     33.926  91.757     37.546  77.797  23.213  98.060  22.417  -20.26298      32.27026 
1 1 1 -9  7  46 o 140.974  21.973  186.881    52.324  186.881    52.324  0.0000     0.0000  140.974 21.973  ?       ?       0.000000       21.97301 
1 1 1 -9  7  47 o 175.724  11.533  275.230    35.190  290.883    43.356  245.008    60.245  179.847 13.915  161.488 21.933  18.35902       25.97480 
1 1 1 -9  7  48 o 267.200  17.174  650.546    79.703  572.961    113.419 726.239    112.027 243.251 27.167  277.597 23.329  -34.34618      35.80917 
1 1 1 -9  7  49 o 314.537  17.178  903.103    93.985  982.682    133.895 825.810    131.957 321.601 24.018  292.575 26.105  29.02594       35.47253 
1 1 1 -9  7  50 o 147.168  14.930  197.424    37.833  194.355    54.942  200.192    52.173  142.142 22.916  145.234 21.198  -3.091873      31.21718 
1 1 1 -9  7  51 o 195.479  11.345  341.833    38.555  280.807    46.414  477.681    69.250  175.358 15.312  227.555 17.565  -52.19666      23.30212 
1 1 1 -9  7  52 o 196.677  12.022  347.588    41.087  315.562    49.576  417.830    73.422  185.661 15.433  210.472 20.228  -24.81093      25.44278 
1 1 1 -9  7  53 o 73.633   13.698  50.434     16.964  40.214     19.391  83.765     35.018  64.932  16.929  92.127  22.061  -27.19536      27.80788 
1 1 1 -9  7  54 o 98.969   10.504  88.328     17.875  76.569     24.353  102.063    26.319  90.176  16.055  104.947 14.772  -14.77101      21.81700 
1 1 1 -9  7  55 o 93.269   10.724  78.755     17.147  77.734     23.142  79.998     25.532  91.137  15.069  91.900  16.519  -0.7628860     22.35934 
1 1 1 -9  7  56 o 68.359   11.629  43.103     13.384  35.200     17.669  53.740     20.499  60.631  16.327  75.002  16.132  -14.37118      22.95207 
1 1 1 -9  7  57 o 79.302   11.698  57.782     15.711  59.118     21.310  56.190     23.256  78.663  16.058  76.011  17.831  2.651878       23.99571 
1 1 1 -9  7  58 o 58.524   14.167  32.593     14.322  34.936     20.990  30.553     19.591  60.226  18.324  56.750  17.779  3.476173       25.53190 
1 1 1 -9  7  59 o 51.988   14.606  25.693     13.807  32.331     19.838  19.455     19.229  58.017  17.845  48.418  17.594  9.598946       25.05960 
1 1 1 -9  7  60 o 165.162  10.118  245.926    29.038  221.782    40.419  271.676    41.743  153.765 15.256  171.147 14.094  -17.38173      20.76981 
1 1 1 -9  7  61 o 29.790   11.827  4.6981     9.1813  -3.6928    11.155  22.325     16.167  26.539  11.841  49.170  16.222  -22.63121      20.08352 
1 1 1 -9  8  1  o 248.807  12.362  544.011    53.703  606.549    66.572  427.477    90.875  261.983 14.611  217.260 24.376  44.72229       28.41940 
1 1 1 -9  8  2  o 334.417  13.926  984.428    81.315  1054.59    100.178 848.926    139.222 345.531 16.604  306.325 26.284  39.20557       31.08936 
1 1 1 -9  8  3  o 397.358  28.459  1432.07    196.143 1432.07    196.143 0.0000     0.0000  397.358 28.459  ?       ?       0.000000       28.45864 
1 1 1 -9  8  4  o 140.446  15.344  175.906    37.015  175.906    37.015  0.0000     0.0000  140.446 15.344  ?       ?       0.000000       15.34356 
1 1 1 -9  8  5  o 186.980  14.931  309.961    48.339  309.961    48.339  0.0000     0.0000  186.980 14.931  ?       ?       0.000000       14.93068 
1 1 1 -9  8  6  o 153.845  11.776  209.013    31.392  216.615    39.177  195.374    52.472  156.180 14.533  146.845 21.068  9.335236       25.59464 
1 1 1 -9  8  7  o 152.078  10.965  203.949    28.920  245.643    36.349  132.030    47.739  166.733 12.578  119.623 23.694  47.11025       26.82533 
1 1 1 -9  8  8  o 258.607  15.925  592.097    71.560  603.113    101.760 581.319    100.653 259.178 22.715  254.357 22.909  4.821762       32.26155 
1 1 1 -9  8  9  o 97.962   14.171  86.175     23.535  113.386    35.300  64.403     31.576  111.706 18.764  83.539  21.516  28.16621       28.54864 
1 1 1 -9  8  10 o 76.473   12.077  52.594     15.591  82.750     21.241  17.369     22.957  96.175  12.981  51.011  19.101  45.16395       23.09435 
1 1 1 -9  8  11 o 271.262  13.088  646.913    61.991  662.664    76.523  616.843    105.733 273.600 16.089  261.929 23.364  11.67148       28.36773 
1 1 1 -9  8  12 o 47.089   14.684  19.381     13.380  9.3148     18.100  31.511     19.869  42.509  16.691  59.371  17.775  -16.86230      24.38353 
1 1 1 -9  8  13 o 355.699  18.008  1122.09    111.482 1190.16    158.843 1056.02    156.502 363.702 25.167  341.977 26.414  21.72540       36.48450 
1 1 1 -9  8  14 o 508.734  22.823  2308.30    202.736 2345.62    287.799 2271.54    285.637 506.300 32.730  497.997 33.037  8.303375       46.50478 
1 1 1 -9  8  15 o 290.977  18.253  752.279    92.268  633.721    132.063 865.342    128.966 263.331 29.215  310.263 23.992  -46.93134      37.80372 
1 1 1 -9  8  16 o 230.202  12.705  467.183    50.869  468.712    63.030  464.325    86.148  229.975 15.792  227.323 21.978  2.651688       27.06351 
1 1 1 -9  8  17 o 89.787   14.195  72.679     21.514  45.977     27.980  111.298    33.650  71.308  21.034  110.781 18.015  -39.47292      27.69396 
1 1 1 -9  8  18 o 418.147  17.524  1546.71    127.947 1353.64    157.168 1926.08    220.310 388.601 23.270  461.510 27.464  -72.90936      35.99651 
1 1 1 -9  8  19 o 162.662  15.296  235.355    42.932  238.479    66.541  233.127    56.193  161.536 24.348  160.716 20.491  0.8201752      31.82255 
1 1 1 -9  8  20 o 601.935  17.675  3207.26    185.768 3369.73    214.678 2722.97    370.651 615.827 19.965  538.743 39.682  77.08429       44.42094 
1 1 1 -9  8  21 o 27.573   12.249  -4.3571    11.804  -65.5855   17.106  51.293     16.308  ?       ?       75.337  12.859  0.000000       12.85927 
1 1 1 -9  8  22 o 178.497  12.220  281.375    37.858  281.375    37.858  0.0000     0.0000  178.497 12.220  ?       ?       0.000000       12.22028 
1 1 1 -9  8  23 o 248.151  15.976  546.317    68.853  546.317    68.853  0.0000     0.0000  248.151 15.976  ?       ?       0.000000       15.97563 
1 1 1 -9  8  24 o 201.740  15.616  361.641    54.578  361.641    54.578  0.0000     0.0000  201.740 15.616  ?       ?       0.000000       15.61551 
1 1 1 -9  8  25 o 199.646  16.002  354.657    55.312  354.657    55.312  0.0000     0.0000  199.646 16.002  ?       ?       0.000000       16.00162 
1 1 1 -9  8  26 o 300.682  17.460  804.468    91.272  804.468    91.272  0.0000     0.0000  300.682 17.460  ?       ?       0.000000       17.45988 
1 1 1 -9  8  27 o 287.917  24.195  751.430    120.504 751.430    120.504 0.0000     0.0000  287.917 24.195  ?       ?       0.000000       24.19454 
1 1 1 -9  8  28 o 53.544   17.477  24.588     18.784  11.423     23.443  48.196     31.393  47.821  18.926  73.117  22.441  -25.29638      29.35621 
1 1 1 -9  8  29 o 265.083  15.828  624.702    72.926  530.088    102.146 723.065    104.150 240.999 24.620  283.303 21.208  -42.30371      32.49511 
1 1 1 -9  8  30 o 192.440  14.953  329.708    49.851  296.482    69.152  365.655    71.929  180.211 22.464  200.974 20.799  -20.76295      30.61423 
1 1 1 -9  8  31 o 320.723  16.731  916.914    93.372  726.513    131.225 1112.17    132.887 280.649 27.117  350.860 21.799  -70.21136      34.79245 
1 1 1 -9  8  32 o 197.741  14.567  348.189    49.940  268.779    69.300  433.980    72.032  170.651 23.914  219.467 18.984  -48.81569      30.53336 
1 1 1 -9  8  33 o 139.105  14.943  173.577    35.726  157.823    48.691  191.947    52.580  130.496 22.162  144.429 21.506  -13.93346      30.88137 
1 1 1 -9  8  34 f 231.124  15.519  477.136    62.267  438.178    87.095  517.867    89.055  218.424 23.191  238.367 21.633  -19.94318      31.71432 
1 1 1 -9  8  35 o 236.402  15.269  499.253    62.691  395.924    87.864  606.405    89.474  206.488 24.870  258.626 19.968  -52.13768      31.89438 
1 1 1 -9  8  36 o 285.503  16.076  729.928    79.813  588.446    111.826 876.831    113.949 251.250 25.860  310.230 21.162  -58.97955      33.41508 
1 1 1 -9  8  37 o 63.403   17.332  37.248     19.737  23.821     25.807  56.167     30.634  55.937  20.373  77.373  21.762  -21.43598      29.81071 
1 1 1 -9  8  38 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -9  8  39 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -9  8  40 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -9  8  41 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -9  8  42 o 77.331   21.810  57.015     30.724  57.015     30.724  0.0000     0.0000  77.331  21.810  ?       ?       0.000000       21.81000 
1 1 1 -9  8  43 o 192.038  22.482  347.672    73.959  347.672    73.959  0.0000     0.0000  192.038 22.482  ?       ?       0.000000       22.48239 
1 1 1 -9  8  44 o 111.406  22.681  119.870    42.620  119.870    42.620  0.0000     0.0000  111.406 22.681  ?       ?       0.000000       22.68076 
1 1 1 -9  8  45 o 95.375   16.816  85.000     26.980  67.193     36.248  107.120    40.401  82.934  23.793  104.947 22.707  -22.01210      32.88903 
1 1 1 -9  8  46 o 217.372  15.233  430.116    57.450  315.112    80.205  551.292    82.330  178.660 26.515  243.106 19.561  -64.44565      32.94977 
1 1 1 -9  8  47 o 239.100  16.185  524.079    67.173  464.892    94.336  584.953    95.672  217.916 25.262  247.447 22.385  -29.53198      33.75283 
1 1 1 -9  8  48 o 190.589  15.078  332.355    49.767  247.744    69.087  423.617    71.750  157.457 26.039  212.095 19.596  -54.63815      32.58873 
1 1 1 -9  8  49 o 334.667  17.137  1036.95    99.805  724.580    139.949 1360.23    142.373 263.234 31.046  377.025 21.719  -113.7911      37.88863 
1 1 1 -9  8  50 o 203.029  15.613  380.179    54.925  319.925    76.641  443.799    78.754  178.764 25.257  214.709 21.287  -35.94484      33.03148 
1 1 1 -9  8  51 o 49.563   15.000  22.811     14.093  21.773     15.657  27.243     32.342  49.045  15.953  59.038  22.543  -9.993221      27.61713 
1 1 1 -9  8  52 o 130.316  9.5783  152.216    21.642  156.509    29.799  147.425    31.483  130.639 13.247  126.135 14.562  4.503990       19.68614 
1 1 1 -9  8  53 o 94.418   10.297  80.733     16.701  88.034     23.085  72.715     24.191  97.242  13.999  87.186  16.495  10.05593       21.63489 
1 1 1 -9  8  54 o 30.320   10.962  7.0168     7.4515  12.210     9.9529  0.3929     11.240  37.675  12.734  29.151  12.457  8.523979       17.81362 
1 1 1 -9  8  55 o 110.807  11.898  112.465    22.659  89.133     26.538  175.228    43.527  96.524  16.329  134.170 19.121  -37.64619      25.14389 
1 1 1 -9  8  56 o 61.374   15.739  36.523     16.948  26.425     19.841  63.776     32.594  53.403  17.979  78.502  22.573  -25.09853      28.85815 
1 1 1 -9  8  57 o 108.750  11.673  108.621    21.819  89.841     34.903  120.667    27.954  93.343  21.808  113.253 14.466  -19.91026      26.17030 
1 1 1 -9  8  58 o 35.562   12.970  9.8931     10.464  16.001     14.305  2.8653     15.345  43.160  15.235  34.853  14.710  8.306843       21.17769 
1 1 1 -9  8  59 o 52.950   14.622  27.140     13.964  24.257     19.345  30.276     20.177  51.257  17.741  55.828  18.107  -4.570648      25.35034 
1 1 1 -9  9  1  o 271.834  11.598  650.281    55.050  448.634    94.824  752.791    67.609  221.381 24.967  292.122 13.255  -70.74089      28.26752 
1 1 1 -9  9  2  o 152.723  15.334  208.423    40.338  207.045    59.595  209.588    54.799  149.949 23.537  151.577 21.292  -1.627777      31.73843 
1 1 1 -9  9  3  o ?        ?       -44.7675   5.0630  -172.1858  13.991  -25.5658   5.4311  ?       ?       ?       ?       0.000000       ?        
1 1 1 -9  9  4  f 246.147  11.270  532.843    48.438  475.565    67.927  592.105    69.093  230.888 16.968  258.221 15.394  -27.33369      22.91051 
1 1 1 -9  9  5  o 54.543   20.641  19.532     26.961  49.784     36.359  -17.4217   40.185  75.113  24.302  49.552  22.265  25.56018       32.95881 
1 1 1 -9  9  6  o 263.244  13.687  613.075    62.693  640.745    76.078  554.521    110.671 268.402 16.311  246.030 26.164  22.37228       30.83141 
1 1 1 -9  9  7  o ?        ?       -193.9281  6.1103  -193.9281  6.1103  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 -9  9  8  o 43.012   16.320  11.727     16.884  23.531     25.679  2.7372     22.410  56.109  20.340  42.558  17.859  13.55083       27.06802 
1 1 1 -9  9  9  o 169.331  11.397  253.296    33.500  229.326    39.204  318.151    64.488  160.562 14.128  187.786 19.974  -27.22424      24.46557 
1 1 1 -9  9  10 o 89.388   13.047  71.873     19.764  48.598     23.783  123.815    35.529  72.532  18.669  116.725 18.012  -44.19268      25.94141 
1 1 1 -9  9  11 f ?        ?       -29.2797   2.8366  -35.6901   4.3534  -24.5502   3.7394  ?       ?       ?       ?       0.000000       ?        
1 1 1 -9  9  12 o 192.983  10.461  328.138    35.118  333.663    41.059  313.083    67.775  194.296 12.164  185.843 21.269  8.452087       24.50192 
1 1 1 -9  9  13 o 207.904  10.804  380.937    39.083  390.432    45.742  355.261    75.221  210.150 12.523  197.781 22.163  12.36873       25.45592 
1 1 1 -9  9  14 o 380.455  12.793  1275.90    84.982  1344.59    98.450  1075.11    168.325 390.045 14.456  341.827 28.461  48.21796       31.92143 
1 1 1 -9  9  15 o 296.218  11.795  772.419    61.005  784.196    70.830  738.583    120.060 298.060 13.610  284.915 24.368  13.14520       27.91082 
1 1 1 -9  9  16 o 309.737  13.328  846.592    72.081  901.514    89.106  742.607    122.608 318.470 16.076  285.395 24.852  33.07516       29.59867 
1 1 1 -9  9  17 o 408.156  16.694  1479.43    118.973 1442.42    146.129 1552.21    204.899 400.566 20.966  410.442 28.773  -9.875854      35.60106 
1 1 1 -9  9  18 o 98.854   15.148  88.449     25.313  46.868     32.657  151.038    40.066  72.472  22.988  128.980 18.304  -56.50763      29.38500 
1 1 1 -9  9  19 o 213.670  12.381  403.817    45.992  407.250    57.185  397.530    77.394  213.822 15.420  209.307 21.481  4.515610       26.44306 
1 1 1 -9  9  20 o 201.354  10.800  357.687    37.831  355.664    44.020  363.404    73.993  200.397 12.645  199.935 21.535  0.4615631      24.97315 
1 1 1 -9  9  21 o 128.331  10.950  145.980    24.301  128.405    28.615  191.447    46.025  119.709 13.952  145.297 18.566  -25.58888      23.22387 
1 1 1 -9  9  22 o 270.508  11.396  644.673    53.826  662.727    62.469  592.633    106.059 273.881 13.063  254.367 24.170  19.51389       27.47408 
1 1 1 -9  9  23 o 261.096  13.629  604.792    61.920  604.792    61.920  0.0000     0.0000  261.096 13.629  ?       ?       0.000000       13.62946 
1 1 1 -9  9  24 o 204.807  12.621  371.965    44.914  371.965    44.914  0.0000     0.0000  204.807 12.621  ?       ?       0.000000       12.62114 
1 1 1 -9  9  25 o 266.063  16.368  633.246    75.671  633.246    75.671  0.0000     0.0000  266.063 16.368  ?       ?       0.000000       16.36789 
1 1 1 -9  9  26 o 41.205   15.912  10.036     16.238  10.036     16.238  0.0000     0.0000  41.205  15.912  ?       ?       0.000000       15.91247 
1 1 1 -9  9  27 o 113.623  21.799  120.785    41.675  120.785    41.675  0.0000     0.0000  113.623 21.799  ?       ?       0.000000       21.79908 
1 1 1 -9  9  28 f 432.308  19.732  1688.53    148.945 1348.17    210.017 2032.96    211.270 374.714 32.418  468.049 25.953  -93.33597      41.52721 
1 1 1 -9  9  29 o 160.434  21.526  238.027    58.779  238.027    58.779  0.0000     0.0000  160.434 21.526  ?       ?       0.000000       21.52552 
1 1 1 -9  9  30 o 258.310  23.612  618.650    105.318 618.650    105.318 0.0000     0.0000  258.310 23.612  ?       ?       0.000000       23.61171 
1 1 1 -9  9  31 o 62.806   20.560  34.957     25.989  34.957     25.989  0.0000     0.0000  62.806  20.560  ?       ?       0.000000       20.55990 
1 1 1 -9  9  32 o 66.712   20.924  40.645     27.125  40.645     27.125  0.0000     0.0000  66.712  20.924  ?       ?       0.000000       20.92397 
1 1 1 -9  9  33 o 228.903  22.862  488.626    90.154  488.626    90.154  0.0000     0.0000  228.903 22.862  ?       ?       0.000000       22.86240 
1 1 1 -9  9  34 o 101.919  22.092  99.234     38.180  99.234     38.180  0.0000     0.0000  101.919 22.092  ?       ?       0.000000       22.09176 
1 1 1 -9  9  35 o 13.261   6.6898  -23.6826   7.2800  -23.6826   7.2800  0.0000     0.0000  13.261  6.6898  ?       ?       0.000000       6.689809 
1 1 1 -9  9  36 o 176.727  14.653  282.244    44.807  220.272    62.139  349.368    64.670  151.513 24.310  194.443 19.303  -42.92981      31.04173 
1 1 1 -9  9  37 o 48.560   16.969  19.437     17.719  21.071     22.554  16.803     28.637  52.139  19.038  53.156  20.955  -1.017231      28.31188 
1 1 1 -9  9  38 o 36.624   14.957  4.9936     15.141  -5.5245    18.710  24.952     25.773  34.790  15.440  55.964  20.364  -21.17427      25.55495 
1 1 1 -9  9  39 o 134.249  15.034  164.741    34.637  136.257    47.370  197.469    50.775  118.074 23.799  144.417 20.730  -26.34343      31.56143 
1 1 1 -9  9  40 o 200.572  15.097  366.357    52.484  305.761    72.996  431.211    75.517  177.554 24.174  214.137 20.445  -36.58275      31.66043 
1 1 1 -9  9  41 o 140.339  14.835  180.348    35.800  136.686    48.863  230.949    52.603  117.272 24.646  156.408 19.698  -39.13624      31.55043 
1 1 1 -9  9  42 o 17.720   8.6635  -16.7501   8.9026  -10.8040   9.7916  -45.1080   21.383  21.321  10.063  26.222  12.940  -4.901094      16.39195 
1 1 1 -9  9  43 o 48.325   20.093  8.5888     27.983  0.0000     0.0000  8.5888     27.983  ?       ?       48.325  20.093  0.000000       20.09258 
1 1 1 -9  9  44 o 149.476  23.941  221.750    60.377  0.0000     0.0000  221.750    60.377  ?       ?       149.476 23.941  0.000000       23.94141 
1 1 1 -9  9  45 o 247.626  25.104  613.099    107.042 0.0000     0.0000  613.099    107.042 ?       ?       247.626 25.104  0.000000       25.10369 
1 1 1 -9  9  46 o 97.876   17.147  91.401     28.236  76.039     37.804  110.785    42.465  86.137  24.157  104.298 23.838  -18.16150      33.93862 
1 1 1 -9  9  47 o 200.592  23.667  402.462    81.298  402.462    81.298  0.0000     0.0000  200.592 23.667  ?       ?       0.000000       23.66716 
1 1 1 -9  9  48 o 165.976  22.973  275.988    64.793  275.988    64.793  0.0000     0.0000  165.976 22.973  ?       ?       0.000000       22.97322 
1 1 1 -9  9  49 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -9  9  50 o 174.830  24.350  314.287    72.314  0.0000     0.0000  314.287    72.314  ?       ?       174.830 24.350  0.000000       24.34995 
1 1 1 -9  9  51 o 98.531   25.848  105.029    45.024  0.0000     0.0000  105.029    45.024  ?       ?       98.531  25.848  0.000000       25.84824 
1 1 1 -9  9  52 o 67.315   23.988  44.880     35.545  0.0000     0.0000  44.880     35.545  ?       ?       67.315  23.988  0.000000       23.98812 
1 1 1 -9  9  53 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -9  9  54 o 38.209   12.931  12.823     10.263  9.3883     11.395  27.582     23.623  35.758  13.444  54.697  19.549  -18.93876      23.72555 
1 1 1 -9  9  55 o 75.858   11.149  53.459     14.326  38.411     18.119  78.560     23.401  62.200  16.436  90.075  15.434  -27.87560      22.54676 
1 1 1 -9  10 1  o 89.396   13.784  72.572     20.824  67.509     26.723  80.399     33.228  85.030  18.523  92.341  21.073  -7.310722      28.05670 
1 1 1 -9  10 2  o 73.355   13.984  49.345     17.257  54.378     21.954  41.207     27.917  76.492  16.889  67.464  21.238  9.027901       27.13519 
1 1 1 -9  10 3  o 194.430  12.466  336.053    42.097  326.789    52.049  353.575    71.584  190.698 15.773  196.225 21.232  -5.526291      26.44937 
1 1 1 -9  10 4  o 124.262  10.843  137.252    23.290  132.969    32.807  141.604    33.069  121.060 15.906  125.113 15.467  -4.053383      22.18582 
1 1 1 -9  10 5  o 88.435   13.050  70.749     19.546  63.425     24.967  82.343     31.415  82.549  17.842  93.823  19.798  -11.27457      26.65172 
1 1 1 -9  10 6  o 283.184  12.069  709.358    59.677  681.938    69.048  790.305    118.637 276.564 14.348  292.901 23.392  -16.33661      27.44211 
1 1 1 -9  10 7  o 190.097  10.919  319.910    36.090  305.958    41.995  359.324    70.583  185.338 13.060  198.111 20.711  -12.77315      24.48482 
1 1 1 -9  10 8  o 62.626   15.430  36.339     16.764  36.339     16.764  0.0000     0.0000  62.626  15.430  ?       ?       0.000000       15.43047 
1 1 1 -9  10 9  o 238.423  12.915  505.240    53.566  505.240    53.566  0.0000     0.0000  238.423 12.915  ?       ?       0.000000       12.91531 
1 1 1 -9  10 10 f 147.846  11.751  194.421    30.084  194.421    30.084  0.0000     0.0000  147.846 11.751  ?       ?       0.000000       11.75063 
1 1 1 -9  10 11 o 359.718  12.956  1147.25    81.374  1178.19    94.158  1055.94    161.740 363.675 14.828  334.998 27.905  28.67770       31.59987 
1 1 1 -9  10 12 o 469.449  15.634  1968.03    128.154 1959.43    148.124 1993.60    255.558 466.589 18.181  455.260 32.360  11.32910       37.11763 
1 1 1 -9  10 13 o 231.945  11.091  475.159    44.918  457.863    52.184  524.624    88.249  226.764 13.237  239.193 21.355  -12.42816      25.12437 
1 1 1 -9  10 14 o 180.557  12.502  290.213    39.174  290.213    39.174  0.0000     0.0000  180.557 12.502  ?       ?       0.000000       12.50246 
1 1 1 -9  10 15 o 33.289   12.428  7.4789     9.7041  1.8889     13.028  14.446     14.544  32.635  13.651  43.132  15.347  -10.49675      20.53994 
1 1 1 -9  10 16 o 107.575  11.385  103.436    21.060  111.172    26.532  90.260     34.626  110.936 14.009  97.862  20.899  13.07417       25.16040 
1 1 1 -9  10 17 o 275.681  13.317  675.521    64.103  681.451    78.756  663.881    110.341 275.148 16.468  267.195 23.903  7.952454       29.02729 
1 1 1 -9  10 18 o 71.739   12.533  46.934     15.127  53.173     19.118  36.487     24.739  75.912  14.955  63.487  19.994  12.42496       24.96823 
1 1 1 -9  10 19 o 391.615  29.185  1466.66    198.134 0.0000     0.0000  1466.66    198.134 ?       ?       391.615 29.185  0.000000       29.18537 
1 1 1 -9  10 20 o 110.914  20.216  115.256    37.709  0.0000     0.0000  115.256    37.709  ?       ?       110.914 20.216  0.000000       20.21615 
1 1 1 -9  10 21 o 327.391  18.628  975.279    106.049 890.158    150.514 1059.19    149.444 304.502 28.646  335.205 25.730  -30.70279      38.50434 
1 1 1 -9  10 22 o 33.951   11.789  9.2170     8.5456  17.956     11.732  -0.6603    12.473  44.778  13.715  30.361  13.052  14.41708       18.93259 
1 1 1 -9  10 23 o 22.012   9.9040  -3.8933    7.9841  -3.8933    7.9841  0.0000     0.0000  22.012  9.9040  ?       ?       0.000000       9.904009 
1 1 1 -9  10 24 o 224.812  13.148  452.202    51.385  452.202    51.385  0.0000     0.0000  224.812 13.148  ?       ?       0.000000       13.14769 
1 1 1 -9  10 25 o 68.395   12.976  43.028     14.930  43.028     14.930  0.0000     0.0000  68.395  12.976  ?       ?       0.000000       12.97626 
1 1 1 -9  10 26 o 352.898  13.826  1115.13    85.194  1115.13    85.194  0.0000     0.0000  352.898 13.826  ?       ?       0.000000       13.82600 
1 1 1 -9  10 27 o 217.088  16.389  428.922    61.665  428.922    61.665  0.0000     0.0000  217.088 16.389  ?       ?       0.000000       16.38891 
1 1 1 -9  10 28 o 136.396  15.065  169.559    35.280  142.268    47.768  202.316    52.332  121.290 23.403  146.399 21.080  -25.10899      31.49736 
1 1 1 -9  10 29 o 73.874   17.962  51.833     22.945  48.553     29.737  56.658     36.070  71.537  21.821  76.954  24.127  -5.416710      32.53115 
1 1 1 -9  10 30 o 151.184  15.046  208.442    39.191  180.926    53.620  240.000    57.423  136.807 23.281  159.190 21.185  -22.38252      31.47699 
1 1 1 -9  10 31 o 213.442  15.465  415.216    57.244  370.584    79.630  462.949    82.350  196.143 23.734  221.158 21.601  -25.01506      32.09219 
1 1 1 -9  10 32 o 198.472  15.049  359.027    51.765  295.942    71.733  427.573    74.774  174.418 24.207  213.115 20.341  -38.69730      31.61852 
1 1 1 -9  10 33 o 44.499   16.590  14.492     17.280  1.2628     21.190  40.751     29.855  40.021  17.103  66.298  22.052  -26.27632      27.90739 
1 1 1 -9  10 34 o 180.174  14.577  296.374    45.464  213.658    62.515  389.241    66.240  146.454 25.365  203.789 18.828  -57.33467      31.58969 
1 1 1 -9  10 35 o 117.639  15.261  128.122    30.609  89.968     41.008  176.122    45.995  94.308  24.634  135.691 20.014  -41.38327      31.73950 
1 1 1 -9  10 36 o 48.260   17.053  19.482     17.927  12.471     22.787  30.871     29.041  46.695  18.602  59.949  21.646  -13.25478      28.54147 
1 1 1 -9  10 37 o 234.926  15.651  509.156    63.832  411.548    89.287  611.190    91.290  202.049 25.905  252.327 20.909  -50.27739      33.29045 
1 1 1 -9  10 38 o 98.109   15.901  90.682     26.308  46.276     35.089  147.685    39.755  69.570  23.905  124.045 18.957  -54.47481      30.50883 
1 1 1 -9  10 39 o 102.344  15.724  98.603     27.200  55.114     36.312  154.205    41.058  74.302  24.301  126.441 19.201  -52.13905      30.97158 
1 1 1 -9  10 40 o 28.343   12.778  -5.9053    13.365  -1.9018    15.866  -15.6882   24.802  33.126  14.476  36.395  16.785  -3.269199      22.16493 
1 1 1 -9  10 41 o 110.110  15.856  114.563    29.605  102.706    40.650  127.955    43.202  99.757  23.690  112.264 22.817  -12.50642      32.89130 
1 1 1 -9  10 42 o 67.992   23.678  45.085     34.482  0.0000     0.0000  45.085     34.482  ?       ?       67.992  23.678  0.000000       23.67762 
1 1 1 -9  10 43 o 55.497   21.793  22.958     30.860  0.0000     0.0000  22.958     30.860  ?       ?       55.497  21.793  0.000000       21.79342 
1 1 1 -9  10 44 o 73.022   24.462  55.010     36.726  0.0000     0.0000  55.010     36.726  ?       ?       73.022  24.462  0.000000       24.46161 
1 1 1 -9  10 45 o 66.522   23.729  43.490     34.789  0.0000     0.0000  43.490     34.789  ?       ?       66.522  23.729  0.000000       23.72881 
1 1 1 -9  10 46 o 45.684   19.664  4.4601     28.377  0.0000     0.0000  4.4601     28.377  ?       ?       45.684  19.664  0.000000       19.66378 
1 1 1 -9  10 47 o 86.762   17.365  74.283     25.389  33.359     33.489  129.591    38.932  60.684  22.995  113.022 20.482  -52.33851      30.79399 
1 1 1 -9  10 48 o 48.730   20.514  10.751     29.720  0.0000     0.0000  10.751     29.720  ?       ?       48.730  20.514  0.000000       20.51425 
1 1 1 -9  10 49 o 73.741   24.963  59.297     38.252  0.0000     0.0000  59.297     38.252  ?       ?       73.741  24.963  0.000000       24.96340 
1 1 1 -9  10 50 o 124.024  26.040  172.368    54.597  0.0000     0.0000  172.368    54.597  ?       ?       124.024 26.040  0.000000       26.04049 
1 1 1 -9  10 51 o 52.889   20.320  24.090     26.378  24.090     26.378  0.0000     0.0000  52.889  20.320  ?       ?       0.000000       20.31988 
1 1 1 -9  10 52 o 66.964   23.389  48.461     33.658  48.461     33.658  0.0000     0.0000  66.964  23.389  ?       ?       0.000000       23.38894 
1 1 1 -9  11 1  o 138.862  15.199  176.545    36.251  0.0000     0.0000  176.545    36.251  ?       ?       138.862 15.199  0.000000       15.19932 
1 1 1 -9  11 2  o 199.829  16.138  365.397    55.829  0.0000     0.0000  365.397    55.829  ?       ?       199.829 16.138  0.000000       16.13831 
1 1 1 -9  11 3  o 171.286  11.923  263.173    35.436  272.857    43.940  245.158    59.931  173.259 14.662  160.317 21.989  12.94182       26.42922 
1 1 1 -9  11 4  o 229.812  12.166  473.216    48.645  494.935    60.041  431.722    82.990  233.624 14.795  212.888 22.675  20.73576       27.07476 
1 1 1 -9  11 5  o 231.033  12.488  478.846    50.191  498.678    61.760  440.274    86.132  234.302 15.178  214.495 23.376  19.80663       27.87134 
1 1 1 -9  11 6  o 89.920   12.465  73.593     19.045  71.709     24.021  76.781     31.250  87.546  16.315  89.248  20.487  -1.701958      26.18935 
1 1 1 -9  11 7  o 32.242   12.329  6.5175     9.6827  11.529     13.515  1.2322     13.879  39.799  14.704  32.996  13.962  6.802841       20.27650 
1 1 1 -9  11 8  o 9.3048   4.6835  -10.7995   3.4604  -24.7421   9.0493  -8.4116    3.7451  15.767  7.8845  10.909  5.3893  4.857945       9.550432 
1 1 1 -9  11 9  o 181.166  12.228  294.587    38.454  288.030    47.525  307.020    65.438  177.686 15.473  180.228 21.199  -2.541016      26.24530 
1 1 1 -9  11 10 f 205.853  11.279  378.539    40.386  361.929    47.004  425.383    78.937  200.284 13.520  212.099 21.617  -11.81480      25.49661 
1 1 1 -9  11 11 o 114.143  12.724  118.025    24.927  118.025    24.927  0.0000     0.0000  114.143 12.724  ?       ?       0.000000       12.72386 
1 1 1 -9  11 12 o 207.575  13.034  387.922    47.000  387.922    47.000  0.0000     0.0000  207.575 13.034  ?       ?       0.000000       13.03367 
1 1 1 -9  11 13 o 102.569  13.731  96.190     23.974  96.190     23.974  0.0000     0.0000  102.569 13.731  ?       ?       0.000000       13.73091 
1 1 1 -9  11 14 o 156.568  10.708  219.039    29.098  216.973    34.157  224.508    55.564  155.098 12.725  153.567 21.295  1.531342       24.80751 
1 1 1 -9  11 15 o 107.254  11.274  103.624    20.798  97.519     24.957  117.498    37.622  103.073 14.248  110.871 20.178  -7.798019      24.70117 
1 1 1 -9  11 16 o 175.018  10.979  273.928    33.381  255.409    38.903  325.628    65.001  168.011 13.372  185.782 20.372  -17.77081      24.36856 
1 1 1 -9  11 17 o 164.217  10.562  240.928    30.123  243.903    35.248  232.870    58.012  164.546 12.358  155.802 21.932  8.744110       25.17400 
1 1 1 -9  11 18 o 334.309  15.523  1017.47    90.613  978.560    111.389 1093.60    155.801 323.214 19.833  332.255 27.092  -9.040436      33.57545 
1 1 1 -9  11 19 o 110.319  13.294  111.065    25.091  101.172    32.417  125.848    39.628  103.111 18.694  114.355 20.604  -11.24397      27.82081 
1 1 1 -9  11 20 o 27.318   11.124  2.7355     8.3459  -3.9889    11.154  11.289     12.580  26.604  11.857  38.806  14.211  -12.20192      18.50777 
1 1 1 -9  11 21 o 105.715  10.247  100.387    18.677  115.038    22.272  65.666     34.287  112.852 11.462  81.382  23.070  31.46963       25.76075 
1 1 1 -9  11 22 o 152.058  14.141  211.313    37.116  211.313    37.116  0.0000     0.0000  152.058 14.141  ?       ?       0.000000       14.14132 
1 1 1 -9  11 23 o 192.523  12.584  335.149    42.071  335.149    42.071  0.0000     0.0000  192.523 12.584  ?       ?       0.000000       12.58441 
1 1 1 -9  11 24 o 138.625  12.446  174.382    29.804  174.382    29.804  0.0000     0.0000  138.625 12.446  ?       ?       0.000000       12.44576 
1 1 1 -9  11 25 o 101.060  10.733  92.295     18.649  92.295     18.649  0.0000     0.0000  101.060 10.733  ?       ?       0.000000       10.73271 
1 1 1 -9  11 26 o 113.045  16.611  120.324    31.809  120.324    31.809  0.0000     0.0000  113.045 16.611  ?       ?       0.000000       16.61073 
1 1 1 -9  11 27 o 61.531   18.489  36.294     21.467  36.294     21.467  0.0000     0.0000  61.531  18.489  ?       ?       0.000000       18.48876 
1 1 1 -9  11 28 o 253.209  15.479  593.026    68.107  421.391    94.968  774.780    97.728  201.385 27.744  284.603 19.789  -83.21794      34.07867 
1 1 1 -9  11 29 o 117.185  10.313  123.852    20.886  115.786    23.300  156.835    47.115  112.627 12.035  125.379 22.341  -12.75194      25.37601 
1 1 1 -9  11 30 f 63.018   13.997  37.666     15.001  35.358     16.785  46.831     33.441  60.660  15.719  69.184  23.341  -8.524303      28.14065 
1 1 1 -9  11 31 o 56.001   14.071  29.865     13.742  28.178     15.147  37.713     32.673  54.347  15.309  63.904  22.974  -9.556129      27.60748 
1 1 1 -9  11 32 o 138.387  15.155  179.256    36.022  140.649    48.912  225.016    53.250  116.047 24.885  151.091 20.731  -35.04383      32.38911 
1 1 1 -9  11 33 o 48.149   20.289  8.4331     29.115  0.0000     0.0000  8.4331     29.115  ?       ?       48.149  20.289  0.000000       20.28886 
1 1 1 -9  11 34 o 83.335   25.498  74.340     40.565  0.0000     0.0000  74.340     40.565  ?       ?       83.335  25.498  0.000000       25.49828 
1 1 1 -9  11 35 o 263.654  26.833  741.507    121.809 0.0000     0.0000  741.507    121.809 ?       ?       263.654 26.833  0.000000       26.83346 
1 1 1 -9  11 36 o 50.861   21.102  13.509     30.772  0.0000     0.0000  13.509     30.772  ?       ?       50.861  21.102  0.000000       21.10206 
1 1 1 -9  11 37 o 122.365  24.970  160.221    51.544  0.0000     0.0000  160.221    51.544  ?       ?       122.365 24.970  0.000000       24.96970 
1 1 1 -9  11 38 o 63.771   23.087  39.638     33.068  0.0000     0.0000  39.638     33.068  ?       ?       63.771  23.087  0.000000       23.08742 
1 1 1 -9  11 39 o 118.474  16.006  135.154    32.263  119.655    43.656  153.805    47.892  105.272 24.250  120.378 23.629  -15.10572      33.85836 
1 1 1 -9  11 40 o 59.516   18.152  35.337     20.579  26.958     26.389  48.339     32.874  54.982  20.500  68.073  23.142  -13.09175      30.91600 
1 1 1 -9  11 41 o 98.897   16.839  96.188     28.036  78.482     37.404  118.890    42.354  84.354  24.160  104.791 23.702  -20.43649      33.84518 
1 1 1 -9  11 42 o 44.847   16.919  16.197     18.080  19.581     22.468  9.9781     30.457  49.023  18.773  48.440  20.598  0.5822182      27.86891 
1 1 1 -9  11 43 o 54.773   18.109  29.514     20.143  20.663     25.544  44.068     32.755  50.785  19.861  64.998  23.042  -14.21369      30.42030 
1 1 1 -9  11 44 o 60.697   19.188  37.821     22.767  22.371     30.537  57.159     34.163  53.395  21.444  71.911  23.574  -18.51569      31.86829 
1 1 1 -9  11 45 o 26.449   12.520  -15.5503   15.359  -26.8067   19.522  2.7337     24.881  27.650  13.358  41.787  18.198  -14.13662      22.57405 
1 1 1 -9  11 46 o 71.633   19.243  54.222     24.580  9.4218     32.945  110.470    36.916  48.751  21.085  101.089 21.572  -52.33858      30.16462 
1 1 1 -9  11 47 o 120.317  17.263  145.959    35.228  155.107    48.416  135.668    51.352  116.510 24.573  104.922 27.644  11.58822       36.98623 
1 1 1 -9  12 1  o 237.672  11.015  510.268    45.713  495.321    53.150  552.750    89.604  232.191 13.164  235.151 22.082  -2.959854      25.70779 
1 1 1 -9  12 2  o 212.023  11.099  407.115    40.947  395.366    47.757  439.727    79.563  207.353 13.260  209.786 22.051  -2.432877      25.73050 
1 1 1 -9  12 3  o 93.388   13.154  81.134     20.854  77.652     26.562  86.728     33.672  89.245  17.671  92.454  21.297  -3.208450      27.67341 
1 1 1 -9  12 4  o 96.059   13.170  85.751     21.508  67.626     26.954  117.520    35.684  82.515  19.087  109.271 19.414  -26.75609      27.22563 
1 1 1 -9  12 5  o 62.374   14.179  37.134     15.093  42.283     19.614  29.659     23.632  65.807  16.962  56.733  19.610  9.073406       25.92852 
1 1 1 -9  12 6  o 59.866   14.798  34.402     15.380  37.689     21.209  30.755     22.337  62.093  18.312  57.174  19.077  4.918907       26.44362 
1 1 1 -9  12 7  o 114.930  10.518  119.718    20.873  129.036    25.050  98.551     37.755  118.587 12.275  98.054  22.526  20.53291       25.65324 
1 1 1 -9  12 8  o 51.311   14.609  25.017     13.717  27.183     18.008  22.022     21.173  53.694  17.074  50.935  18.469  2.758980       25.15216 
1 1 1 -9  12 9  o 28.767   11.734  3.2210     9.3046  9.7778     11.606  -8.5725    15.566  36.480  13.597  29.681  13.542  6.798807       19.18987 
1 1 1 -9  12 10 o 49.223   13.211  22.936     11.592  35.067     14.186  -1.4410    20.111  60.718  13.706  37.312  16.302  23.40564       21.29790 
1 1 1 -9  12 11 o 73.124   12.839  50.044     15.794  42.261     19.170  66.492     27.867  65.859  16.659  81.499  19.783  -15.63984      25.86251 
1 1 1 -9  12 12 o 157.849  10.819  225.573    29.638  217.878    34.707  246.297    56.958  153.895 13.038  157.449 21.262  -3.554153      24.94147 
1 1 1 -9  12 13 o 36.210   12.574  10.968     9.7210  11.127     12.471  10.722     15.519  38.232  14.125  40.133  15.540  -1.901108      21.00007 
1 1 1 -9  12 14 o 81.534   11.148  61.063     15.454  50.331     18.352  87.224     28.654  72.496  14.993  94.478  18.027  -21.98262      23.44756 
1 1 1 -9  12 15 f 159.976  12.960  235.501    35.889  235.501    35.889  0.0000     0.0000  159.976 12.960  ?       ?       0.000000       12.95980 
1 1 1 -9  12 16 o 155.203  13.049  222.023    35.035  222.023    35.035  0.0000     0.0000  155.203 13.049  ?       ?       0.000000       13.04926 
1 1 1 -9  12 17 o 161.780  12.548  240.331    35.169  240.331    35.169  0.0000     0.0000  161.780 12.548  ?       ?       0.000000       12.54840 
1 1 1 -9  12 18 o 75.567   12.937  53.591     16.456  53.591     16.456  0.0000     0.0000  75.567  12.937  ?       ?       0.000000       12.93673 
1 1 1 -9  12 19 o 127.142  12.315  148.823    26.997  148.823    26.997  0.0000     0.0000  127.142 12.315  ?       ?       0.000000       12.31521 
1 1 1 -9  12 20 o 34.500   13.496  7.2922     11.796  -3.2998    17.615  15.904     15.884  34.002  15.041  43.956  15.988  -9.954159      21.95070 
1 1 1 -9  12 21 o 38.109   14.569  10.181     13.518  -3.7941    33.181  12.962     14.802  45.900  20.455  41.090  15.347  4.810078       25.57208 
1 1 1 -9  12 22 o 104.174  17.661  106.276    30.977  70.224     49.701  129.178    39.613  79.733  28.370  112.792 20.883  -33.05903      35.22760 
1 1 1 -9  12 23 o 56.991   23.049  23.502     35.546  23.502     35.546  0.0000     0.0000  56.991  23.049  ?       ?       0.000000       23.04875 
1 1 1 -9  12 24 o 193.042  13.006  345.205    43.584  345.205    43.584  0.0000     0.0000  193.042 13.006  ?       ?       0.000000       13.00632 
1 1 1 -9  12 25 o 95.651   13.657  86.361     22.161  86.361     22.161  0.0000     0.0000  95.651  13.657  ?       ?       0.000000       13.65704 
1 1 1 -9  12 26 o 39.867   16.621  6.2604     19.221  6.2604     19.221  0.0000     0.0000  39.867  16.621  ?       ?       0.000000       16.62057 
1 1 1 -9  12 27 o 85.551   18.944  74.322     27.552  74.322     27.552  0.0000     0.0000  85.551  18.944  ?       ?       0.000000       18.94413 
1 1 1 -9  12 28 o 92.030   23.515  92.116     37.926  92.116     37.926  0.0000     0.0000  92.030  23.515  ?       ?       0.000000       23.51470 
1 1 1 -9  12 29 o 28.968   12.502  -0.0131    11.534  5.9053     12.677  -28.4608   27.793  34.055  13.767  34.761  16.565  -0.7055092     21.53889 
1 1 1 -9  12 30 o 44.810   12.884  19.173     10.619  15.101     11.311  49.407     30.823  40.770  13.574  68.199  22.394  -27.42928      26.18670 
1 1 1 -9  12 31 o 69.169   12.121  45.290     14.106  40.694     15.360  70.048     35.647  64.709  14.001  79.367  23.820  -14.65784      27.63017 
1 1 1 -9  12 32 o 41.638   13.305  16.171     10.924  14.836     11.731  24.882     29.963  40.609  13.824  54.457  21.446  -13.84790      25.51524 
1 1 1 -9  12 33 o 37.429   12.854  12.339     10.146  13.172     10.823  6.3055     29.128  38.582  13.275  45.934  19.846  -7.352188      23.87691 
1 1 1 -9  12 34 o 24.851   10.138  2.4897     6.9466  4.0387     7.1635  -21.9279   28.442  26.612  10.484  36.555  17.222  -9.943224      20.16202 
1 1 1 -9  12 35 o 56.525   12.213  30.732     11.701  27.456     12.489  54.272     33.478  52.987  13.470  69.842  23.355  -16.85501      26.96125 
1 1 1 -9  12 36 o 46.421   14.031  20.917     12.337  11.823     13.402  71.367     31.566  38.717  14.576  80.382  21.897  -41.66508      26.30413 
1 1 1 -9  12 37 o 46.518   17.423  18.888     19.102  16.834     23.967  22.464     31.629  47.427  19.015  53.130  21.648  -5.702587      28.81363 
1 1 1 -9  12 38 o 57.682   18.646  34.545     21.409  50.331     28.001  12.332     33.217  67.589  21.269  49.528  21.296  18.06145       30.09804 
1 1 1 -9  12 39 o 72.151   18.289  54.969     23.071  21.916     30.291  100.635    35.604  52.028  21.191  95.113  21.893  -43.08498      30.46838 
1 1 1 -9  12 40 o 37.707   15.639  7.1067     16.892  1.2104     21.061  17.740     28.283  37.913  16.620  49.215  20.309  -11.30245      26.24319 
1 1 1 -9  12 41 o 69.462   19.221  52.491     24.101  67.114     31.661  32.342     37.165  76.125  22.352  57.701  23.483  18.42368       32.42019 
1 1 1 -9  13 1  o 138.057  12.781  180.759    30.459  187.800    39.363  170.252    48.086  136.945 16.815  123.733 23.107  13.21193       28.57783 
1 1 1 -9  13 2  o 91.848   14.279  82.172     22.156  79.905     29.301  85.200     33.859  86.573  19.812  87.470  22.147  -0.8969879     29.71564 
1 1 1 -9  13 3  o 94.633   14.363  87.182     22.988  80.769     30.294  95.888     35.296  86.671  20.363  93.182  22.039  -6.510872      30.00657 
1 1 1 -9  13 4  o 130.644  12.656  161.418    28.509  176.377    36.465  137.899    45.722  133.737 15.929  109.876 24.461  23.86057       29.19030 
1 1 1 -9  13 5  o 142.274  13.239  192.475    32.512  196.814    41.823  185.849    51.685  139.787 17.520  128.988 23.826  10.79961       29.57426 
1 1 1 -9  13 6  o 102.702  14.385  102.313    25.089  99.128     33.240  106.529    38.246  96.467  20.373  97.838  22.809  -1.371132      30.58262 
1 1 1 -9  13 7  o 84.045   19.121  74.177     27.427  53.224     46.601  85.282     33.925  68.709  26.838  87.801  22.135  -19.09226      34.78864 
1 1 1 -9  13 8  f 57.279   17.654  33.548     19.405  33.876     36.243  33.417     22.976  59.509  23.538  57.181  19.347  2.328339       30.46917 
1 1 1 -9  13 9  o 61.175   18.878  39.074     22.181  7.6124     42.300  51.006     26.050  52.221  23.194  68.850  20.292  -16.62882      30.81717 
1 1 1 -9  13 10 o 69.019   15.543  47.697     18.281  37.498     24.654  60.154     27.247  59.943  20.042  74.696  20.341  -14.75357      28.55645 
1 1 1 -9  13 11 o 79.111   18.688  65.455     25.404  65.455     25.404  0.0000     0.0000  79.111  18.688  ?       ?       0.000000       18.68827 
1 1 1 -9  13 12 o 65.778   18.023  45.028     21.312  45.028     21.312  0.0000     0.0000  65.778  18.023  ?       ?       0.000000       18.02251 
1 1 1 -9  13 13 o 41.446   15.761  13.685     15.768  13.685     15.768  0.0000     0.0000  41.446  15.761  ?       ?       0.000000       15.76093 
1 1 1 -9  13 14 o 51.299   15.560  26.159     15.153  14.117     19.368  45.161     24.330  43.675  17.228  65.105  19.710  -21.42995      26.17861 
1 1 1 -9  13 15 f 84.738   17.762  73.856     25.440  76.713     43.784  72.399     31.258  79.113  26.708  80.917  21.684  -1.803772      34.40237 
1 1 1 -9  13 16 o 119.520  12.954  135.874    26.600  134.075    34.662  138.452    41.489  114.705 17.890  112.787 21.857  1.918083       28.24482 
1 1 1 -9  13 17 o 105.156  14.459  107.585    25.846  79.366     33.246  150.695    41.093  84.197  22.271  119.097 20.500  -34.90038      30.26975 
1 1 1 -9  13 18 o 39.154   13.223  14.010     10.732  3.7081     12.821  38.119     19.613  32.392  13.545  60.644  17.532  -28.25215      22.15471 
1 1 1 -9  13 19 o 56.640   15.236  32.295     15.397  32.295     15.397  0.0000     0.0000  56.640  15.236  ?       ?       0.000000       15.23570 
1 1 1 -9  13 20 o 79.024   14.410  61.460     19.150  61.460     19.150  0.0000     0.0000  79.024  14.410  ?       ?       0.000000       14.40980 
1 1 1 -9  13 21 o 122.234  13.521  143.659    28.374  143.659    28.374  0.0000     0.0000  122.234 13.521  ?       ?       0.000000       13.52089 
1 1 1 -9  13 22 o 47.626   16.150  22.005     16.009  22.005     16.009  0.0000     0.0000  47.626  16.150  ?       ?       0.000000       16.14956 
1 1 1 -9  13 23 o 166.956  11.016  259.528    31.932  259.528    31.932  0.0000     0.0000  166.956 11.016  ?       ?       0.000000       11.01562 
1 1 1 -9  13 24 o 97.619   12.263  90.798     20.441  90.798     20.441  0.0000     0.0000  97.619  12.263  ?       ?       0.000000       12.26268 
1 1 1 -9  13 25 o 38.458   13.786  12.953     11.757  12.953     11.757  0.0000     0.0000  38.458  13.786  ?       ?       0.000000       13.78613 
1 1 1 -9  13 26 o 39.527   13.778  14.211     11.678  14.211     11.678  0.0000     0.0000  39.527  13.778  ?       ?       0.000000       13.77839 
1 1 1 -9  13 27 o 79.064   13.947  61.663     18.550  61.663     18.550  0.0000     0.0000  79.064  13.947  ?       ?       0.000000       13.94651 
1 1 1 -9  13 28 o 79.321   12.225  60.570     16.387  60.570     16.387  0.0000     0.0000  79.321  12.225  ?       ?       0.000000       12.22457 
1 1 1 -9  13 29 o 102.619  12.793  101.698    22.424  101.698    22.424  0.0000     0.0000  102.619 12.793  ?       ?       0.000000       12.79280 
1 1 1 -9  13 30 o 47.003   13.632  22.036     11.841  21.870     12.726  23.111     32.317  46.777  14.276  52.176  21.635  -5.399342      25.92039 
1 1 1 -9  13 31 o 52.188   13.123  27.191     11.947  24.246     12.850  45.961     32.436  49.005  14.197  62.697  22.840  -13.69196      26.89293 
1 1 1 -9  13 32 o 36.599   14.249  10.107     13.103  18.400     14.609  -24.0085   29.631  43.773  15.402  35.818  17.078  7.955452       22.99739 
1 1 1 -9  13 33 o 75.060   14.960  57.508     18.918  61.902     21.779  43.999     38.185  76.571  16.755  61.068  24.159  15.50296       29.40013 
1 1 1 -9  13 34 o 27.644   12.070  -0.1853    11.008  -4.1467    11.931  22.506     28.554  26.564  12.015  50.081  20.506  -23.51729      23.76666 
1 1 1 -9  14 1  o 102.732  13.428  106.021    23.510  106.021    23.510  0.0000     0.0000  102.732 13.428  ?       ?       0.000000       13.42788 
1 1 1 -9  14 2  o 20.131   9.5240  -8.8676    8.8660  -8.8676    8.8660  0.0000     0.0000  20.131  9.5240  ?       ?       0.000000       9.524043 
1 1 1 -9  14 3  o 88.750   15.463  82.401     23.091  78.446     27.935  90.930     41.026  82.236  19.712  80.051  25.805  2.185127       32.47254 
1 1 1 -9  14 4  o 77.135   12.644  59.153     16.440  66.063     19.714  43.380     29.786  80.012  14.651  59.416  21.850  20.59581       26.30742 
1 1 1 -9  14 5  o 99.609   15.073  102.430    25.396  102.430    25.396  0.0000     0.0000  99.609  15.073  ?       ?       0.000000       15.07305 
1 1 1 -9  14 6  o 73.482   16.293  57.847     20.356  57.847     20.356  0.0000     0.0000  73.482  16.293  ?       ?       0.000000       16.29284 
1 1 1 -9  14 7  o 117.223  14.199  138.933    28.469  138.933    28.469  0.0000     0.0000  117.223 14.199  ?       ?       0.000000       14.19885 
1 1 1 -9  14 8  o 110.916  11.324  118.412    21.622  125.020    25.822  102.910    39.553  111.906 13.487  88.226  24.698  23.68034       28.14089 
1 1 1 -9  14 9  o 85.618   16.115  77.469     23.208  44.891     30.137  124.936    36.377  60.447  22.016  103.565 20.838  -43.11879      30.31430 
1 1 1 -9  14 10 o 67.841   15.956  49.082     18.583  48.976     24.341  49.231     28.773  64.634  19.748  63.229  21.649  1.404819       29.30315 
1 1 1 -9  14 11 o 46.015   15.571  21.754     14.882  11.040     18.964  38.931     24.012  40.126  16.600  57.931  19.778  -17.80427      25.82094 
1 1 1 -9  14 12 o 27.492   12.032  -0.1586    10.999  12.649     13.775  -22.6814   18.268  38.442  14.704  26.704  12.906  11.73804       19.56470 
1 1 1 -9  14 13 o 38.561   14.170  13.528     12.524  12.965     17.040  14.190     18.469  40.246  16.070  41.653  16.695  -1.407066      23.17231 
1 1 1 -9  14 14 o 108.632  13.508  117.956    25.069  113.636    32.105  124.705    40.129  100.881 18.922  99.833  23.424  1.048058       30.11188 
1 1 1 -9  14 15 o 57.590   13.515  33.931     13.357  32.891     16.336  36.029     23.200  55.278  16.005  56.066  19.427  -0.7886696     25.17127 
1 1 1 -9  14 16 o 56.781   13.609  33.089     13.317  34.503     16.015  29.921     23.974  56.780  15.650  52.185  19.524  4.595829       25.02211 
1 1 1 -9  14 17 o 41.310   13.444  17.004     11.118  8.3791     13.084  39.420     21.093  34.874  14.026  58.813  18.452  -23.93844      23.17746 
1 1 1 -9  14 18 o 30.156   12.008  5.9087     9.4905  5.7775     11.279  6.2269     17.564  31.619  12.910  36.622  15.609  -5.003435      20.25623 
1 1 1 -9  14 19 o 64.356   13.193  42.014     14.327  40.950     17.604  44.102     24.655  61.422  16.186  60.805  20.031  0.6172485      25.75344 
1 1 1 -9  14 20 o 93.011   11.646  84.339     18.499  87.652     22.327  77.083     33.040  92.554  14.275  77.242  22.876  15.31249       26.96459 
1 1 1 -9  14 21 o 194.627  14.222  384.467    47.998  384.467    47.998  0.0000     0.0000  194.627 14.222  ?       ?       0.000000       14.22246 
1 1 1 -9  14 22 o 34.313   13.529  8.8733     11.938  8.8733     11.938  0.0000     0.0000  34.313  13.529  ?       ?       0.000000       13.52912 
1 1 1 -9  14 23 o 55.711   15.561  33.598     15.720  33.598     15.720  0.0000     0.0000  55.711  15.561  ?       ?       0.000000       15.56142 
1 1 1 -8  0  1  o 185.751  14.596  307.727    46.669  307.727    46.669  307.727    46.669  185.751 14.596  185.751 14.596  -0.000000      0.000000 
1 1 1 -8  0  2  o 23.982   14.429  4.9656     10.938  4.9656     10.938  4.9656     10.938  23.982  14.429  23.982  14.429  0.000000       0.000000 
1 1 1 -8  0  3  o 38.561   19.455  19.166     16.215  19.166     16.215  19.166     16.215  38.561  19.455  38.561  19.455  0.000000       0.000000 
1 1 1 -8  0  4  o 51.116   21.953  32.667     20.072  32.667     20.072  32.667     20.072  51.116  21.953  51.116  21.953  -0.000000      0.000000 
1 1 1 -8  0  5  o 190.042  21.365  329.155    68.590  329.155    68.590  329.155    68.590  190.042 21.365  190.042 21.365  0.000000       0.000000 
1 1 1 -8  0  6  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -8  0  7  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -8  0  8  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -8  0  9  o 409.496  28.563  1503.12    201.947 1503.12    201.947 1503.12    201.947 409.496 28.563  409.496 28.563  -0.000000      0.000000 
1 1 1 -8  0  10 o 162.536  21.109  243.485    57.118  243.485    57.118  243.485    57.118  162.536 21.109  162.536 21.109  -0.000000      0.000000 
1 1 1 -8  0  11 o 163.156  14.232  238.355    39.836  238.355    39.836  238.355    39.836  163.156 14.232  163.156 14.232  0.000000       0.000000 
1 1 1 -8  0  12 o 48.873   16.856  27.215     12.953  27.215     12.953  27.215     12.953  48.873  16.856  48.873  16.856  -0.000000      0.000000 
1 1 1 -8  0  13 o 320.795  17.412  910.320    96.874  910.320    96.874  910.320    96.874  320.795 17.412  320.795 17.412  -0.000000      0.000000 
1 1 1 -8  0  14 o 432.047  20.507  1650.49    153.909 1650.49    153.909 1650.49    153.909 432.047 20.507  432.047 20.507  0.000000       0.000000 
1 1 1 -8  0  15 o 359.783  18.331  1144.25    114.476 1144.25    114.476 1144.25    114.476 359.783 18.331  359.783 18.331  -0.000000      0.000000 
1 1 1 -8  0  16 o 580.784  25.164  2987.33    254.099 2987.33    254.099 2987.33    254.099 580.784 25.164  580.784 25.164  0.000000       0.000000 
1 1 1 -8  0  17 o 190.445  14.607  323.101    47.917  323.101    47.917  323.101    47.917  190.445 14.607  190.445 14.607  0.000000       0.000000 
1 1 1 -8  0  18 o 197.513  21.489  354.497    71.884  354.497    71.884  354.497    71.884  197.513 21.489  197.513 21.489  0.000000       0.000000 
1 1 1 -8  0  19 o 322.138  17.138  917.037    95.772  917.037    95.772  917.037    95.772  322.138 17.138  322.138 17.138  0.000000       0.000000 
1 1 1 -8  0  20 o 368.300  19.012  1198.90    121.519 1198.90    121.519 1198.90    121.519 368.300 19.012  368.300 19.012  0.000000       0.000000 
1 1 1 -8  0  21 o 760.938  31.247  5138.80    413.576 5138.80    413.576 5138.80    413.576 760.938 31.247  760.938 31.247  0.000000       0.000000 
1 1 1 -8  0  22 o 518.873  33.298  2408.80    298.825 2408.80    298.825 2408.80    298.825 518.873 33.298  518.873 33.298  0.000000       0.000000 
1 1 1 -8  0  23 o 317.526  24.884  902.274    136.012 902.274    136.012 902.274    136.012 317.526 24.884  317.526 24.884  -0.000000      0.000000 
1 1 1 -8  0  24 o 163.101  21.019  244.607    57.127  244.607    57.127  244.607    57.127  163.101 21.019  163.101 21.019  -0.000000      0.000000 
1 1 1 -8  0  25 o 24.226   14.005  6.3038     9.6055  6.3038     9.6055  6.3038     9.6055  24.226  14.005  24.226  14.005  0.000000       0.000000 
1 1 1 -8  0  26 o 154.764  21.025  221.296    53.854  221.296    53.854  221.296    53.854  154.764 21.025  154.764 21.025  -0.000000      0.000000 
1 1 1 -8  0  27 o 742.782  44.266  4968.64    569.437 4968.64    569.437 4968.64    569.437 742.782 44.266  742.782 44.266  0.000000       0.000000 
1 1 1 -8  0  28 o 370.254  26.886  1224.86    171.712 1224.86    171.712 1224.86    171.712 370.254 26.886  370.254 26.886  0.000000       0.000000 
1 1 1 -8  0  29 f 198.102  21.497  356.201    72.140  356.201    72.140  356.201    72.140  198.102 21.497  198.102 21.497  -0.000000      0.000000 
1 1 1 -8  0  30 f 740.509  44.178  4941.07    566.553 4941.07    566.553 4941.07    566.553 740.509 44.178  740.509 44.178  0.000000       0.000000 
1 1 1 -8  0  31 o 478.551  21.933  2022.81    182.388 2022.81    182.388 2022.81    182.388 478.551 21.933  478.551 21.933  -0.000000      0.000000 
1 1 1 -8  0  32 o 401.429  19.503  1423.00    135.963 1423.00    135.963 1423.00    135.963 401.429 19.503  401.429 19.503  -0.000000      0.000000 
1 1 1 -8  0  33 o 342.280  17.945  1035.15    106.576 1035.15    106.576 1035.15    106.576 342.280 17.945  342.280 17.945  -0.000000      0.000000 
1 1 1 -8  0  34 o 401.290  19.662  1422.68    137.015 1422.68    137.015 1422.68    137.015 401.290 19.662  401.290 19.662  -0.000000      0.000000 
1 1 1 -8  0  35 o 849.551  34.597  6428.35    511.274 6428.35    511.274 6428.35    511.274 849.551 34.597  849.551 34.597  0.000000       0.000000 
1 1 1 -8  0  36 o 535.156  23.906  2534.06    222.367 2534.06    222.367 2534.06    222.367 535.156 23.906  535.156 23.906  0.000000       0.000000 
1 1 1 -8  0  37 o 1098.38  43.893  10861.18   838.755 10861.18   838.755 10861.18   838.755 1098.38 43.893  1098.38 43.893  0.000000       0.000000 
1 1 1 -8  0  38 o 93.157   15.180  81.760     22.724  81.760     22.724  81.760     22.724  93.157  15.180  93.157  15.180  -0.000000      0.000000 
1 1 1 -8  0  39 o 63.964   17.615  43.053     17.013  43.053     17.013  43.053     17.013  63.964  17.615  63.964  17.615  0.000000       0.000000 
1 1 1 -8  0  40 o 773.756  31.958  5337.36    430.096 5337.36    430.096 5337.36    430.096 773.756 31.958  773.756 31.958  -0.000000      0.000000 
1 1 1 -8  0  41 o 138.231  21.861  179.997    48.816  179.997    48.816  179.997    48.816  138.231 21.861  138.231 21.861  0.000000       0.000000 
1 1 1 -8  0  42 o 369.421  27.077  1225.61    172.499 1225.61    172.499 1225.61    172.499 369.421 27.077  369.421 27.077  -0.000000      0.000000 
1 1 1 -8  0  43 o 794.475  32.822  5649.55    453.538 5649.55    453.538 5649.55    453.538 794.475 32.822  794.475 32.822  0.000000       0.000000 
1 1 1 -8  0  44 o 252.344  23.540  576.264    101.645 576.264    101.645 576.264    101.645 252.344 23.540  252.344 23.540  0.000000       0.000000 
1 1 1 -8  0  45 o 503.297  33.052  2291.19    287.582 2291.19    287.582 2291.19    287.582 503.297 33.052  503.297 33.052  -0.000000      0.000000 
1 1 1 -8  0  46 o 307.535  25.442  854.636    134.465 854.636    134.465 854.636    134.465 307.535 25.442  307.535 25.442  0.000000       0.000000 
1 1 1 -8  0  47 o 220.212  23.282  442.944    87.232  442.944    87.232  442.944    87.232  220.212 23.282  220.212 23.282  0.000000       0.000000 
1 1 1 -8  0  48 o 401.917  19.781  1435.76    138.050 1435.76    138.050 1435.76    138.050 401.917 19.781  401.917 19.781  -0.000000      0.000000 
1 1 1 -8  0  49 o 28.621   17.562  5.9071     16.900  5.9071     16.900  5.9071     16.900  28.621  17.562  28.621  17.562  0.000000       0.000000 
1 1 1 -8  0  50 o 131.217  14.932  157.143    33.068  157.143    33.068  157.143    33.068  131.217 14.932  131.217 14.932  -0.000000      0.000000 
1 1 1 -8  0  51 o 128.563  15.125  151.374    32.721  151.374    32.721  151.374    32.721  128.563 15.125  128.563 15.125  -0.000000      0.000000 
1 1 1 -8  0  52 o 87.782   18.124  76.016     24.525  76.016     24.525  76.016     24.525  87.782  18.124  87.782  18.124  -0.000000      0.000000 
1 1 1 -8  0  53 o 67.876   21.536  51.421     22.461  51.421     22.461  51.421     22.461  67.876  21.536  67.876  21.536  0.000000       0.000000 
1 1 1 -8  0  54 o 410.402  19.968  1513.30    142.319 1513.30    142.319 1513.30    142.319 410.402 19.968  410.402 19.968  -0.000000      0.000000 
1 1 1 -8  0  55 o 427.805  20.755  1652.27    154.204 1652.27    154.204 1652.27    154.204 427.805 20.755  427.805 20.755  -0.000000      0.000000 
1 1 1 -8  0  56 o 152.853  15.885  214.023    41.347  214.023    41.347  214.023    41.347  152.853 15.885  152.853 15.885  -0.000000      0.000000 
1 1 1 -8  0  57 o 463.933  21.924  1963.93    176.697 1963.93    176.697 1963.93    176.697 463.933 21.924  463.933 21.924  0.000000       0.000000 
1 1 1 -8  0  58 o 385.377  29.344  1418.42    194.824 1418.42    194.824 1418.42    194.824 385.377 29.344  385.377 29.344  0.000000       0.000000 
1 1 1 -8  0  59 o 263.451  24.716  658.446    111.395 658.446    111.395 658.446    111.395 263.451 24.716  263.451 24.716  0.000000       0.000000 
1 1 1 -8  0  60 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -8  0  61 o 281.384  25.426  764.303    122.575 764.303    122.575 764.303    122.575 281.384 25.426  281.384 25.426  -0.000000      0.000000 
1 1 1 -8  0  62 o 28.420   17.516  6.4461     16.980  6.4461     16.980  6.4461     16.980  28.420  17.516  28.420  17.516  0.000000       0.000000 
1 1 1 -8  0  63 o 46.122   22.053  29.223     20.395  29.223     20.395  29.223     20.395  46.122  22.053  46.122  22.053  0.000000       0.000000 
1 1 1 -8  0  64 o 91.595   19.284  86.147     27.149  86.147     27.149  86.147     27.149  91.595  19.284  91.595  19.284  0.000000       0.000000 
1 1 1 -8  0  65 f 21.719   14.494  -3.8354    15.011  -3.8354    15.011  -3.8354    15.011  21.719  14.494  21.719  14.494  -0.000000      0.000000 
1 1 1 -8  0  66 o 72.254   22.459  61.022     24.825  61.022     24.825  61.022     24.825  72.254  22.459  72.254  22.459  0.000000       0.000000 
1 1 1 -8  0  67 o 20.551   14.133  -10.1477   16.591  -10.1477   16.591  -10.1477   16.591  20.551  14.133  20.551  14.133  -0.000000      0.000000 
1 1 1 -8  0  68 o 23.137   15.708  -7.6276    19.115  -7.6276    19.115  -7.6276    19.115  23.137  15.708  23.137  15.708  -0.000000      0.000000 
1 1 1 -8  0  69 o 41.562   22.720  25.820     23.522  25.820     23.522  25.820     23.522  41.562  22.720  41.562  22.720  -0.000000      0.000000 
1 1 1 -8  0  70 o 36.285   23.176  12.178     32.726  12.178     32.726  12.178     32.726  36.285  23.176  36.285  23.176  0.000000       0.000000 
1 1 1 -8  0  71 o 151.069  28.804  268.652    67.960  268.652    67.960  268.652    67.960  151.069 28.804  151.069 28.804  -0.000000      0.000000 
1 1 1 -8  0  72 o 34.632   22.812  7.3223     35.232  7.3223     35.232  7.3223     35.232  34.632  22.812  34.632  22.812  -0.000000      0.000000 
1 1 1 -8  1  1  o 256.598  15.814  581.837    70.510  518.013    99.718  645.657    99.715  240.104 24.111  269.059 21.402  -28.95522      32.23959 
1 1 1 -8  1  2  o 328.623  17.404  954.969    99.510  1016.47    140.819 893.622    140.638 337.149 24.079  315.466 25.757  21.68271       35.25939 
1 1 1 -8  1  3  o 305.240  13.532  818.367    72.121  921.396    125.065 767.035    88.278  321.453 22.423  294.469 17.244  26.98425       28.28679 
1 1 1 -8  1  4  o 207.749  10.375  378.131    37.635  363.250    53.305  392.923    53.144  202.658 15.174  210.928 14.518  -8.269485      21.00066 
1 1 1 -8  1  5  o 54.017   10.401  26.424     9.4545  23.667     13.556  29.036     13.193  51.234  14.500  56.383  13.565  -5.148388      19.85642 
1 1 1 -8  1  6  o 230.002  10.631  463.521    42.695  468.364    60.383  458.680    60.378  230.294 15.100  227.860 15.264  2.433228       21.47088 
1 1 1 -8  1  7  o 415.298  16.203  1518.32    117.495 1452.29    203.480 1551.35    143.910 401.465 29.228  418.970 19.672  -17.50467      35.23179 
1 1 1 -8  1  8  o 226.931  15.147  454.799    59.674  456.591    84.343  453.004    84.440  226.050 21.633  225.126 21.752  0.9243774      30.67817 
1 1 1 -8  1  9  o 521.037  18.861  2396.20    171.595 2296.75    297.161 2445.95    210.178 502.946 34.039  525.055 22.925  -22.10934      41.03905 
1 1 1 -8  1  10 o 178.721  11.304  281.043    35.093  218.990    60.617  312.325    43.039  155.539 23.015  188.192 13.181  -32.65367      26.52198 
1 1 1 -8  1  11 o 273.942  13.011  658.447    62.235  631.374    76.204  712.671    107.846 267.369 16.402  282.874 22.008  -15.50488      27.44796 
1 1 1 -8  1  12 o 353.291  14.735  1096.51    90.894  1115.99    111.315 1057.54    157.452 355.429 17.995  343.634 26.445  11.79492       31.98657 
1 1 1 -8  1  13 o 193.900  11.682  330.677    39.366  317.134    48.200  357.805    68.219  189.460 14.685  200.411 19.752  -10.95065      24.61258 
1 1 1 -8  1  14 o 247.085  10.852  534.720    46.820  575.778    66.211  493.657    66.215  255.606 14.900  236.411 16.137  19.19513       21.96395 
1 1 1 -8  1  15 o 249.695  10.804  546.003    47.106  568.908    66.631  523.117    66.604  254.066 15.088  243.485 15.751  10.58115       21.81107 
1 1 1 -8  1  16 o 331.629  12.253  963.869    70.951  953.550    100.348 974.185    100.330 328.727 17.546  332.313 17.351  -3.585785      24.67665 
1 1 1 -8  1  17 o 211.501  12.049  393.200    44.312  376.822    54.277  425.931    76.731  206.622 15.150  218.851 20.311  -12.22868      25.33923 
1 1 1 -8  1  18 f 91.832   9.5215  74.572     15.045  88.542     17.373  32.653     30.093  100.083 10.078  63.965  22.128  36.11865       24.31534 
1 1 1 -8  1  19 o 245.034  12.577  527.415    53.629  492.141    65.683  597.960    92.888  236.212 16.020  259.672 20.657  -23.45956      26.14131 
1 1 1 -8  1  20 o 310.841  13.934  847.024    75.629  838.590    92.660  863.856    130.898 308.476 17.273  311.714 24.241  -3.238647      29.76482 
1 1 1 -8  1  21 o 155.884  9.2562  213.258    25.081  218.039    35.516  208.501    35.423  157.228 13.055  153.692 13.332  3.536179       18.65959 
1 1 1 -8  1  22 o 127.869  9.7958  143.846    21.705  141.087    30.515  146.670    30.878  126.105 14.100  128.623 13.974  -2.517220      19.85120 
1 1 1 -8  1  23 o 587.877  16.689  3033.00    171.311 2859.09    242.268 3206.92    242.273 569.096 24.381  603.084 23.007  -33.98889      33.52244 
1 1 1 -8  1  24 o 264.987  11.235  614.442    51.982  596.018    73.511  632.868    73.516  260.155 16.265  268.173 15.770  -8.018494      22.65429 
1 1 1 -8  1  25 o 393.221  15.649  1355.80    107.446 1325.28    131.573 1416.89    186.159 388.318 19.405  399.438 26.847  -11.12003      33.12624 
1 1 1 -8  1  26 o 625.501  26.559  3457.95    290.075 3468.11    410.192 3447.79    410.263 621.401 37.988  619.516 38.112  1.884277       53.81055 
1 1 1 -8  1  27 o 831.364  23.305  6090.60    338.298 5828.24    676.576 6178.06    390.637 799.588 48.692  836.079 26.759  -36.49121      55.56057 
1 1 1 -8  1  28 o 339.943  12.310  1011.50    73.067  978.125    146.097 1022.63    84.378  331.962 25.398  341.668 14.144  -9.706177      29.07058 
1 1 1 -8  1  29 o 63.117   9.7089  35.645     10.357  31.328     14.759  39.832     14.537  58.646  14.496  66.309  13.020  -7.662994      19.48518 
1 1 1 -8  1  30 o 597.398  17.945  3132.79    187.187 3132.40    264.723 3133.18    264.721 595.723 25.450  595.798 25.446  -0.7495117E-01 35.98906 
1 1 1 -8  1  31 o 741.529  21.467  4838.36    277.950 5019.70    393.085 4657.02    393.078 752.531 29.916  724.404 31.077  28.12708       43.13594 
1 1 1 -8  1  32 o 967.078  27.103  8268.56    457.660 8528.43    647.237 8008.70    647.220 976.290 37.968  945.311 39.212  30.97943       54.58154 
1 1 1 -8  1  33 o 566.960  20.101  2826.15    198.990 2699.65    344.732 2889.35    243.686 548.724 36.183  572.319 24.385  -23.59515      43.63355 
1 1 1 -8  1  34 o 670.794  22.603  3963.86    264.743 4353.43    458.666 3769.23    324.202 696.424 37.861  652.409 28.460  44.01526       47.36490 
1 1 1 -8  1  35 o 390.459  15.571  1336.81    106.157 1335.66    184.014 1337.38    129.964 387.617 27.364  390.119 19.079  -2.502106      33.35906 
1 1 1 -8  1  36 o 545.474  23.875  2624.70    227.398 2578.01    321.524 2671.43    321.654 536.569 34.501  546.483 33.876  -9.914368      48.35219 
1 1 1 -8  1  37 o 671.431  28.047  3993.64    328.819 0.0000     0.0000  3993.64    328.819 ?       ?       671.431 28.047  0.000000       28.04745 
1 1 1 -8  1  38 o 376.283  18.621  1244.32    122.340 0.0000     0.0000  1244.32    122.340 ?       ?       376.283 18.621  0.000000       18.62050 
1 1 1 -8  1  39 o 150.191  11.379  198.559    29.620  223.101    51.271  186.264    36.288  158.197 18.938  145.049 14.523  13.14731       23.86556 
1 1 1 -8  1  40 o 426.003  16.466  1593.07    122.479 1630.81    212.063 1574.18    150.033 427.777 28.555  422.866 20.320  4.911163       35.04721 
1 1 1 -8  1  41 o 428.306  16.490  1610.68    123.324 1576.37    213.515 1627.86    151.071 420.199 29.284  429.989 20.122  -9.790039      35.53096 
1 1 1 -8  1  42 o 50.448   16.259  21.703     16.286  3.6865     25.934  33.434     20.928  46.254  19.297  61.280  18.219  -15.02641      26.53878 
1 1 1 -8  1  43 o 398.925  13.632  1395.25    94.953  1426.16    134.419 1364.46    134.148 402.499 19.126  393.629 19.518  8.869904       27.32703 
1 1 1 -8  1  44 o 194.479  10.320  331.966    34.917  346.189    49.713  318.117    49.054  198.115 14.471  189.805 14.922  8.310318       20.78653 
1 1 1 -8  1  45 o 170.935  12.594  257.484    37.323  250.655    45.402  271.719    65.547  168.213 15.637  174.017 22.068  -5.804367      27.04662 
1 1 1 -8  1  46 o 355.483  12.719  1108.01    78.948  1066.27    111.672 1149.71    111.626 347.418 18.475  361.385 17.690  -13.96686      25.57895 
1 1 1 -8  1  47 o 25.638   11.691  -7.6253    11.584  -1.5475    15.305  -15.7779   17.726  33.479  14.426  30.162  14.008  3.317093       20.10749 
1 1 1 -8  1  48 o 280.058  13.038  688.320    63.758  653.637    77.736  759.603    111.446 272.011 16.445  292.012 22.020  -20.00107      27.48239 
1 1 1 -8  1  49 o 146.746  11.916  190.118    30.269  181.613    36.647  208.377    53.696  142.947 14.901  152.065 20.766  -9.117889      25.55927 
1 1 1 -8  1  50 o 361.571  14.928  1150.56    94.246  1163.13    115.386 1125.38    163.355 362.369 18.296  353.586 26.655  8.782806       32.32983 
1 1 1 -8  1  51 o 143.258  11.941  181.417    29.596  180.333    35.787  183.761    52.645  142.391 14.601  142.168 21.911  0.2224121      26.33036 
1 1 1 -8  1  52 o 460.201  17.280  1873.30    138.853 1904.15    170.057 1811.58    240.508 462.520 21.057  445.161 31.138  17.35904       37.58978 
1 1 1 -8  1  53 o 294.400  13.653  763.567    70.182  741.945    85.721  807.529    122.229 288.989 17.064  299.240 23.585  -10.25082      29.11017 
1 1 1 -8  1  54 o 266.547  12.752  625.727    59.350  605.321    72.521  667.110    103.278 261.048 15.988  272.102 21.924  -11.05463      27.13383 
1 1 1 -8  1  55 o 206.001  12.276  375.118    43.955  381.583    53.810  362.154    76.201  207.159 14.977  199.616 22.241  7.543091       26.81367 
1 1 1 -8  1  56 o 209.471  12.304  388.197    44.803  395.610    54.839  373.316    77.698  210.801 14.997  202.362 22.363  8.439789       26.92608 
1 1 1 -8  1  57 f 129.307  10.628  148.143    23.784  160.225    33.557  135.946    33.715  133.679 14.615  122.636 16.137  11.04243       21.77130 
1 1 1 -8  1  58 o 72.052   15.236  47.846     18.569  72.733     34.646  37.815     21.995  87.859  22.489  64.199  18.567  23.65986       29.16325 
1 1 1 -8  1  59 o 130.057  10.584  150.091    23.826  158.436    33.660  141.711    33.730  132.666 14.782  125.111 15.792  7.554886       21.63123 
1 1 1 -8  1  60 o 77.190   12.902  54.216     16.775  46.124     24.398  61.470     23.103  70.287  19.294  81.390  16.813  -11.10300      25.59180 
1 1 1 -8  1  61 o 67.541   14.092  42.115     16.081  30.667     22.994  53.073     22.498  59.002  19.340  75.318  17.449  -16.31592      26.04840 
1 1 1 -8  1  62 o 78.991   15.451  57.785     20.548  68.528     37.741  53.259     24.496  84.539  24.285  75.146  18.735  9.393509       30.67135 
1 1 1 -8  1  63 f 149.833  12.701  201.372    32.915  201.233    58.358  201.437    39.861  145.140 23.857  148.878 15.564  -3.737076      28.48475 
1 1 1 -8  1  64 o 129.934  12.970  152.220    29.033  154.582    51.365  151.112    35.195  126.353 24.162  128.398 16.049  -2.044914      29.00685 
1 1 1 -8  1  65 o 270.434  13.669  657.988    64.334  662.830    111.356 655.562    78.819  263.041 24.528  267.828 16.942  -4.786957      29.81021 
1 1 1 -8  1  66 f 105.944  17.849  105.411    31.845  131.364    46.708  82.869     43.531  115.699 23.911  91.066  26.058  24.63255       35.36575 
1 1 1 -8  1  67 o 118.225  13.630  127.459    27.621  109.164    50.251  135.380    33.064  103.352 27.401  120.929 16.056  -17.57745      31.75884 
1 1 1 -8  1  68 o 152.402  12.930  210.449    34.082  234.056    60.516  199.483    41.246  155.042 23.056  146.760 16.375  8.281815       28.27918 
1 1 1 -8  1  69 o 99.840   12.072  90.739     20.617  77.390     29.042  104.303    29.274  89.448  19.171  105.439 16.437  -15.99105      25.25262 
1 1 1 -8  1  70 f 34.398   13.995  4.8903     13.193  21.137     18.445  -12.1280   18.878  49.635  17.316  32.091  14.742  17.54314       22.74134 
1 1 1 -8  1  71 o 87.652   13.177  71.122     19.543  70.312     28.019  71.889     27.272  84.649  19.376  85.891  18.714  -1.241692      26.93761 
1 1 1 -8  2  1  f 141.330  9.5135  175.698    23.340  198.012    33.152  153.768    32.865  149.650 12.811  131.458 14.563  18.19150       19.39577 
1 1 1 -8  2  2  o 422.345  14.147  1567.66    104.329 1574.17    147.566 1561.16    147.520 421.819 20.035  420.051 20.113  1.767517       28.38954 
1 1 1 -8  2  3  o 230.036  10.610  463.694    42.617  471.042    60.292  456.357    60.248  230.944 15.034  227.259 15.272  3.685211       21.42966 
1 1 1 -8  2  4  o 175.001  9.9537  269.094    30.289  230.374    42.850  307.761    42.821  161.101 15.422  186.765 13.216  -25.66435      20.31018 
1 1 1 -8  2  5  o 233.068  10.644  475.964    43.318  492.822    61.293  459.141    61.227  236.286 14.933  227.940 15.475  8.345215       21.50555 
1 1 1 -8  2  6  o 354.961  12.814  1105.70    79.419  1101.25    112.312 1110.16    112.319 352.844 18.293  354.292 18.218  -1.447845      25.81690 
1 1 1 -8  2  7  o 99.071   9.4803  86.707     16.199  47.523     22.919  125.826    22.900  72.029  18.212  119.313 11.120  -47.28330      21.33872 
1 1 1 -8  2  8  o 186.934  10.051  306.893    32.688  318.927    46.236  294.867    46.219  190.053 14.032  182.613 14.618  7.439743       20.26270 
1 1 1 -8  2  9  o 150.756  9.6556  199.777    25.283  210.646    35.765  188.921    35.745  154.346 13.404  145.988 14.203  8.358521       19.52923 
1 1 1 -8  2  10 o 345.345  12.428  1045.90    74.938  931.241    105.956 1160.65    106.000 324.407 18.786  363.138 16.717  -38.73114      25.14738 
1 1 1 -8  2  11 o 210.653  10.095  388.533    37.131  323.309    52.471  453.953    52.550  191.109 15.868  227.070 13.312  -35.96144      20.71257 
1 1 1 -8  2  12 o 348.886  12.476  1067.28    76.003  1028.80    107.464 1105.80    107.504 341.258 18.100  354.407 17.372  -13.14868      25.08784 
1 1 1 -8  2  13 o 245.264  12.477  528.739    53.257  496.438    92.104  544.963    65.277  235.785 22.651  248.624 15.108  -12.83919      27.22697 
1 1 1 -8  2  14 o 179.973  11.605  284.946    36.274  283.159    62.658  285.846    44.487  177.969 20.541  179.908 14.279  -1.939285      25.01667 
1 1 1 -8  2  15 o 362.865  18.421  1162.35    116.329 0.0000     0.0000  1162.35    116.329 ?       ?       362.865 18.421  0.000000       18.42076 
1 1 1 -8  2  16 o 133.155  13.784  157.150    31.583  144.658    44.698  169.606    44.634  126.418 20.986  137.491 19.109  -11.07336      28.38183 
1 1 1 -8  2  17 o 224.221  12.213  441.734    47.636  431.904    58.290  461.500    82.655  221.319 15.176  227.814 21.016  -6.495056      25.92245 
1 1 1 -8  2  18 o 377.165  15.153  1248.21    99.789  1243.15    122.195 1258.33    172.897 375.919 18.616  375.859 26.515  0.6030273E-01  32.39797 
1 1 1 -8  2  19 o 471.187  17.555  1950.81    144.431 1922.61    176.910 2007.15    250.110 466.980 21.697  474.006 30.379  -7.025513      37.33146 
1 1 1 -8  2  20 o 482.986  17.713  2049.48    149.376 1957.82    182.963 2232.69    258.681 471.209 22.238  500.423 29.739  -29.21396      37.13356 
1 1 1 -8  2  21 o 203.555  12.233  364.090    43.277  398.391    52.998  295.452    74.971  212.714 14.353  181.369 24.283  31.34480       28.20803 
1 1 1 -8  2  22 o 449.683  17.024  1775.12    133.667 1789.67    163.722 1746.03    231.475 450.917 20.795  442.437 30.143  8.479736       36.61975 
1 1 1 -8  2  23 o 1012.39  32.893  9127.02    581.448 8901.62    712.146 9577.73    1007.04 994.420 41.014  1016.03 56.994  -21.61401      70.21785 
1 1 1 -8  2  24 o 615.961  21.402  3339.77    230.181 3284.56    281.929 3450.16    398.639 609.520 26.490  620.005 36.992  -10.48492      45.49869 
1 1 1 -8  2  25 o 427.001  16.018  1599.09    119.428 1851.31    206.963 1473.17    146.231 457.024 26.043  408.740 20.555  48.28339       33.17759 
1 1 1 -8  2  26 o 81.378   9.4094  58.676     13.123  55.049     26.853  59.815     15.042  77.659  19.756  81.990  10.768  -4.330467      22.49983 
1 1 1 -8  2  27 o 351.825  12.412  1083.55    76.247  1306.18    152.692 1009.59    88.005  384.395 22.853  339.410 14.850  44.98526       27.25357 
1 1 1 -8  2  28 o 519.745  18.650  2372.62    169.249 2523.86    293.253 2297.09    207.249 532.149 31.704  510.556 23.248  21.59329       39.31463 
1 1 1 -8  2  29 o 627.574  21.644  3466.45    237.174 0.0000     0.0000  3466.45    237.174 ?       ?       627.574 21.644  0.000000       21.64411 
1 1 1 -8  2  30 o 791.949  32.315  5575.49    446.853 5505.82    631.883 5645.18    632.009 778.189 46.720  788.406 46.111  -10.21686      65.64314 
1 1 1 -8  2  31 o 390.621  18.993  1340.60    129.540 1249.39    183.147 1431.91    183.249 374.661 28.203  401.722 26.269  -27.06149      38.54211 
1 1 1 -8  2  32 o 266.503  16.011  625.114    74.159  669.269    104.862 580.933    104.891 274.826 22.038  255.601 23.775  19.22530       32.41780 
1 1 1 -8  2  33 o 659.476  22.518  3831.67    259.295 3897.43    449.055 3798.78    317.590 657.977 39.265  655.095 27.765  2.882202       48.09029 
1 1 1 -8  2  34 o 549.176  19.498  2651.34    186.963 2655.43    323.773 2649.30    229.002 544.698 34.216  548.006 23.933  -3.308533      41.75565 
1 1 1 -8  2  35 o 309.764  13.716  840.644    74.187  912.821    128.629 804.668    90.813  320.955 23.107  302.269 17.278  18.68649       28.85270 
1 1 1 -8  2  36 o 241.539  10.649  510.436    44.913  550.728    63.708  470.626    63.327  250.228 14.645  231.100 15.788  19.12752       21.53485 
1 1 1 -8  2  37 o 370.769  12.971  1204.08    83.976  1287.44    118.828 1120.92    118.692 382.840 17.776  356.550 19.135  26.29010       26.11784 
1 1 1 -8  2  38 o 338.811  12.497  1005.30    73.930  1060.61    104.583 950.058    104.524 347.520 17.235  328.286 18.308  19.23441       25.14404 
1 1 1 -8  2  39 o 581.670  17.561  2972.54    178.358 2925.28    252.240 3019.80    252.233 575.139 25.118  584.476 24.716  -9.337036      35.23868 
1 1 1 -8  2  40 o 147.682  11.515  192.093    29.458  182.413    51.837  196.710    35.800  142.296 21.537  149.160 13.906  -6.864182      25.63623 
1 1 1 -8  2  41 f 319.081  13.803  892.592    76.903  978.780    133.704 849.982    94.011  332.085 23.204  310.510 17.410  21.57498       29.00933 
1 1 1 -8  2  42 o 325.973  14.063  931.892    80.044  959.765    139.014 918.067    97.901  328.453 24.414  322.693 17.440  5.759521       30.00336 
1 1 1 -8  2  43 o 576.819  20.265  2933.47    204.098 3045.30    353.757 2877.67    249.881 581.129 35.027  569.815 25.115  11.31451       43.10069 
1 1 1 -8  2  44 o 301.341  17.093  801.138    89.566  805.715    127.192 796.636    126.146 300.578 24.447  298.886 24.384  1.692139       34.52857 
1 1 1 -8  2  45 o 495.437  15.301  2156.35    132.362 2084.53    187.076 2228.35    187.300 485.487 22.069  502.160 21.362  -16.67230      30.71389 
1 1 1 -8  2  46 o 195.903  10.464  337.049    35.664  333.848    49.866  340.400    51.026  194.391 14.803  196.269 15.003  -1.877808      21.07631 
1 1 1 -8  2  47 o 235.406  10.670  485.482    43.857  472.098    61.652  499.194    62.403  231.212 15.358  237.825 15.106  -6.613098      21.54221 
1 1 1 -8  2  48 f 196.324  11.911  339.290    40.638  335.281    49.893  347.194    70.048  194.721 14.785  197.006 20.672  -2.284927      25.41472 
1 1 1 -8  2  49 o 384.275  18.966  1305.74    127.258 1305.74    127.258 0.0000     0.0000  384.275 18.966  ?       ?       0.000000       18.96616 
1 1 1 -8  2  50 o 236.257  12.495  491.631    51.362  483.069    62.754  509.006    89.395  233.636 15.471  238.335 21.720  -4.698776      26.66637 
1 1 1 -8  2  51 o 120.091  11.809  127.866    24.442  140.614    29.915  102.266    42.392  125.645 13.867  104.966 23.692  20.67918       27.45156 
1 1 1 -8  2  52 o 431.914  14.057  1644.05    106.009 1579.49    149.780 1708.86    150.058 421.185 20.367  438.408 19.603  -17.22296      28.26779 
1 1 1 -8  2  53 o 47.903   13.659  20.723     11.982  12.234     15.997  31.574     18.085  42.708  15.954  58.957  16.770  -16.24954      23.14670 
1 1 1 -8  2  54 o 348.351  14.514  1072.47    88.280  981.248    107.936 1256.81    153.431 331.373 18.731  372.664 23.703  -41.29053      30.21056 
1 1 1 -8  2  55 f 371.278  15.236  1221.53    98.772  1181.92    120.848 1301.22    171.428 363.202 19.123  376.993 26.206  -13.79031      32.44119 
1 1 1 -8  2  56 o 70.600   13.914  45.602     16.543  27.365     19.596  90.825     30.858  55.845  17.817  99.306  18.476  -43.46120      25.66768 
1 1 1 -8  2  57 o 143.371  10.247  181.829    25.484  153.680    35.519  211.691    36.584  130.480 15.920  153.996 13.750  -23.51590      21.03632 
1 1 1 -8  2  58 o 149.338  10.334  197.406    26.780  170.475    37.272  226.148    38.505  137.415 15.823  159.021 14.011  -21.60553      21.13439 
1 1 1 -8  2  59 o 278.214  11.337  683.994    55.075  641.290    77.592  727.355    78.186  267.025 16.726  284.890 15.779  -17.86551      22.99458 
1 1 1 -8  2  60 o 163.831  10.431  237.903    29.683  203.883    41.379  273.970    42.605  150.039 16.043  174.825 14.076  -24.78578      21.34325 
1 1 1 -8  2  61 o 174.974  11.780  272.679    35.780  224.397    59.893  299.472    44.617  154.404 22.910  182.644 14.100  -28.23933      26.90126 
1 1 1 -8  2  62 o 61.795   15.413  35.637     16.575  43.618     24.408  28.805     22.581  68.169  19.514  57.399  19.181  10.76996       27.36275 
1 1 1 -8  2  63 o 58.278   15.910  31.670     16.644  53.580     24.534  12.991     22.654  75.142  18.758  47.458  18.661  27.68349       26.45898 
1 1 1 -8  2  64 o 106.066  13.792  102.497    24.938  106.749    44.368  100.533    30.152  104.106 24.768  103.861 17.230  0.2442017      30.17163 
1 1 1 -8  2  65 o 38.654   14.776  9.6514     13.904  3.7149     21.321  14.044     18.340  41.425  17.404  45.012  17.026  -3.587002      24.34719 
1 1 1 -8  2  66 o 48.188   16.880  19.324     17.537  -20.0964   32.955  34.897     20.713  42.292  19.447  60.947  18.127  -18.65472      26.58514 
1 1 1 -8  2  67 o 158.800  12.815  228.101    35.230  243.530    62.241  220.828    42.734  158.218 23.221  154.723 16.052  3.494476       28.22885 
1 1 1 -8  2  68 o 128.035  13.425  149.603    29.566  124.041    52.710  161.338    35.714  109.332 27.606  131.943 15.817  -22.61012      31.81630 
1 1 1 -8  2  69 o 65.125   15.206  40.266     16.977  28.177     24.976  50.648     23.146  56.907  20.126  72.304  18.314  -15.39691      27.21136 
1 1 1 -8  2  70 o 103.487  12.068  97.748     21.397  87.910     30.366  107.449    30.154  95.188  18.936  106.554 16.761  -11.36548      25.28857 
1 1 1 -8  2  71 o 84.337   13.179  66.063     18.772  57.728     27.468  73.368     25.714  76.178  20.288  87.170  17.503  -10.99243      26.79452 
1 1 1 -8  3  1  o 188.053  11.689  311.257    38.192  294.522    46.822  344.528    66.021  182.448 14.826  196.545 19.495  -14.09622      24.49205 
1 1 1 -8  3  2  o 72.781   11.196  47.498     13.773  51.097     17.036  40.707     23.402  75.168  13.474  67.065  19.076  8.103493       23.35533 
1 1 1 -8  3  3  o 224.029  12.116  441.427    47.219  462.118    57.876  400.235    81.661  228.866 14.558  211.330 22.475  17.53598       26.77862 
1 1 1 -8  3  4  o 202.170  11.816  359.564    41.531  366.992    50.911  344.789    71.803  203.885 14.393  196.271 21.294  7.613815       25.70184 
1 1 1 -8  3  5  o 246.210  12.664  533.162    54.260  519.056    66.486  561.297    93.893  242.423 15.793  250.909 21.643  -8.486572      26.79290 
1 1 1 -8  3  6  f 345.027  14.372  1045.64    86.581  1097.42    106.080 942.314    149.849 353.002 17.211  324.101 26.718  28.90054       31.78108 
1 1 1 -8  3  7  o 195.864  11.475  337.344    39.073  369.139    47.914  274.222    67.510  204.648 13.484  174.531 22.690  30.11696       26.39422 
1 1 1 -8  3  8  f 324.739  11.733  924.284    66.527  915.792    94.015  932.801    94.152  322.161 16.771  325.174 16.638  -3.013123      23.62420 
1 1 1 -8  3  9  o 426.294  13.757  1594.89    102.399 1468.88    144.735 1721.19    144.893 407.846 20.324  441.853 18.780  -34.00735      27.67273 
1 1 1 -8  3  10 o 468.104  16.439  1927.07    134.360 1738.49    232.643 2021.45    164.584 439.742 30.487  478.671 19.692  -38.92902      36.29394 
1 1 1 -8  3  11 o 91.907   14.423  75.914     22.383  0.0000     0.0000  75.914     22.383  ?       ?       91.907  14.423  0.000000       14.42257 
1 1 1 -8  3  12 o 312.257  13.697  855.325    74.681  636.096    129.216 965.284    91.513  265.822 28.274  331.459 15.812  -65.63693      32.39470 
1 1 1 -8  3  13 o 120.525  13.920  129.097    28.756  93.199     40.753  164.693    40.581  100.654 23.598  135.736 17.532  -35.08154      29.39809 
1 1 1 -8  3  14 o 208.397  14.564  382.880    52.662  411.005    74.656  355.025    74.297  215.039 20.117  199.419 21.687  15.61938       29.58060 
1 1 1 -8  3  15 o 216.078  14.522  411.387    54.470  443.010    77.290  380.182    76.778  223.378 20.029  206.498 21.614  16.87920       29.46739 
1 1 1 -8  3  16 o 357.770  14.806  1122.79    92.490  1130.80    113.335 1106.82    160.035 358.162 18.182  352.518 26.187  5.644012       31.88020 
1 1 1 -8  3  17 o 695.111  23.725  4268.26    287.957 4199.79    352.716 4405.08    498.638 687.369 29.388  696.939 41.158  -9.570251      50.57346 
1 1 1 -8  3  18 o 423.853  20.325  1581.65    150.419 1493.66    212.794 1669.52    212.656 408.845 30.018  432.899 28.289  -24.05389      41.24782 
1 1 1 -8  3  19 o 384.710  18.841  1301.26    126.559 1340.03    179.051 1262.55    178.911 388.182 26.577  376.522 27.401  11.66037       38.17265 
1 1 1 -8  3  20 o 361.431  18.379  1150.89    115.607 1140.27    163.469 1161.51    163.517 358.059 26.332  361.458 26.084  -3.399353      37.06361 
1 1 1 -8  3  21 o 665.264  22.029  3899.52    255.885 4010.86    443.448 3843.94    313.308 667.596 38.201  658.916 27.232  8.679871       46.91361 
1 1 1 -8  3  22 f 244.986  12.975  527.093    55.306  456.543    95.975  562.168    67.672  226.090 24.714  252.731 15.409  -26.64114      29.12413 
1 1 1 -8  3  23 o 252.445  12.452  557.962    54.888  521.245    95.255  576.213    67.158  242.150 22.797  255.930 15.095  -13.78027      27.34200 
1 1 1 -8  3  24 o 331.124  14.160  960.725    81.870  979.124    141.972 951.558    100.210 332.171 24.654  328.765 17.520  3.406799       30.24510 
1 1 1 -8  3  25 o 432.499  16.182  1640.79    122.200 0.0000     0.0000  1640.79    122.200 ?       ?       432.499 16.182  0.000000       16.18173 
1 1 1 -8  3  26 o 299.290  11.562  783.905    60.421  836.623    121.109 766.436    69.717  307.317 22.731  295.808 13.498  11.50928       26.43666 
1 1 1 -8  3  27 o 204.781  9.9905  366.768    35.722  488.836    71.832  326.661    41.174  235.322 17.610  192.783 12.296  42.53964       21.47787 
1 1 1 -8  3  28 f 796.693  22.787  5593.48    316.990 5840.33    634.114 5511.24    366.002 801.872 45.477  789.501 26.550  12.37091       52.65990 
1 1 1 -8  3  29 o 686.004  23.093  4148.56    276.610 4409.30    479.212 4018.27    338.739 699.812 39.378  673.341 28.812  26.47144       48.79267 
1 1 1 -8  3  30 o 668.284  22.903  3936.77    267.246 3868.40    462.957 3970.93    327.282 654.570 40.708  669.594 27.993  -15.02368      49.40376 
1 1 1 -8  3  31 o 352.194  17.998  1092.26    110.310 1159.31    156.137 1025.43    155.868 361.494 24.888  339.509 26.503  21.98483       36.35725 
1 1 1 -8  3  32 f 556.035  19.433  2718.44    188.669 2784.19    231.056 2586.87    326.826 561.789 23.555  537.094 35.042  24.69519       42.22299 
1 1 1 -8  3  33 o 278.026  16.294  680.562    78.754  682.733    111.542 678.403    111.209 277.270 23.254  276.382 23.261  0.8879700      32.89103 
1 1 1 -8  3  34 o 319.803  13.641  896.124    76.173  936.397    93.315  815.695    131.871 326.237 16.434  302.797 25.170  23.43979       30.06050 
1 1 1 -8  3  35 o 344.313  12.384  1038.16    74.453  1063.61    105.346 1012.76    105.238 348.001 17.337  339.061 17.839  8.940338       24.87558 
1 1 1 -8  3  36 o 403.796  13.727  1428.95    96.780  1429.34    136.948 1428.56    136.788 403.075 19.458  402.968 19.441  0.1065063      27.50590 
1 1 1 -8  3  37 o 524.362  16.214  2413.64    148.452 2482.34    209.993 2345.00    209.894 530.391 22.675  515.351 23.326  15.04022       32.53054 
1 1 1 -8  3  38 o 350.055  12.556  1073.43    76.745  1064.72    108.626 1082.11    108.442 347.565 17.961  350.431 17.781  -2.866516      25.27346 
1 1 1 -8  3  39 o 179.698  10.116  283.447    31.610  252.815    44.519  314.592    44.890  169.058 15.246  188.943 13.700  -19.88470      20.49664 
1 1 1 -8  3  40 o 683.980  19.931  4121.74    238.035 4108.08    336.599 4135.41    336.666 679.691 28.362  681.987 28.272  -2.296265      40.04659 
1 1 1 -8  3  41 o 352.109  14.693  1088.02    90.333  1108.88    110.787 1046.63    156.032 354.575 17.953  342.451 26.295  12.12418       31.83963 
1 1 1 -8  3  42 o 345.583  14.761  1048.37    89.070  1110.40    109.068 924.167    154.331 355.254 17.583  321.117 27.799  34.13766       32.89317 
1 1 1 -8  3  43 o 368.532  15.313  1193.08    98.535  1284.15    120.618 1010.38    170.841 381.873 18.090  335.155 29.494  46.71808       34.59932 
1 1 1 -8  3  44 o 661.153  21.987  3867.80    253.822 3501.33    310.779 4602.01    439.885 626.258 28.421  713.716 35.298  -87.45856      45.31767 
1 1 1 -8  3  45 o 153.997  15.284  210.488    40.554  257.009    57.069  163.033    57.639  169.511 19.646  133.205 25.713  36.30576       32.35898 
1 1 1 -8  3  46 o 325.611  17.685  937.513    100.170 934.540    141.814 940.473    141.511 322.951 25.353  324.028 25.210  -1.076263      35.75355 
1 1 1 -8  3  47 f 353.505  14.420  1098.78    89.004  1106.67    154.090 1094.83    109.033 351.352 25.286  351.779 17.809  -0.4271545     30.92815 
1 1 1 -8  3  48 o 583.384  19.907  3015.03    202.783 3042.32    351.203 3001.39    248.366 576.375 35.064  579.886 24.529  -3.510193      42.79209 
1 1 1 -8  3  49 o 106.625  10.677  100.700    19.612  59.989     26.721  148.231    28.873  80.699  19.236  129.225 12.971  -48.52567      23.20085 
1 1 1 -8  3  50 o 292.435  11.620  751.133    59.334  718.772    83.430  784.251    84.400  284.640 16.862  297.514 16.309  -12.87375      23.45867 
1 1 1 -8  3  51 o 181.516  10.166  290.013    32.090  253.689    44.678  328.722    46.121  168.815 15.324  192.655 13.802  -23.84018      20.62341 
1 1 1 -8  3  52 o 156.817  10.029  216.738    27.317  206.195    38.274  227.684    39.001  152.127 14.588  160.025 14.102  -7.898071      20.28977 
1 1 1 -8  3  53 o 193.634  10.234  330.308    34.478  305.429    48.239  356.289    49.295  185.195 15.048  200.319 14.185  -15.12454      20.68005 
1 1 1 -8  3  54 o 290.122  13.093  743.224    66.325  679.458    80.668  876.264    116.520 275.904 16.825  311.353 21.566  -35.45004      27.35277 
1 1 1 -8  3  55 o 103.723  10.589  95.653     18.909  94.392     26.384  96.984     27.113  102.049 15.277  103.416 15.492  -1.367523      21.75736 
1 1 1 -8  3  56 o 227.358  12.389  458.149    48.997  414.471    83.134  481.397    60.651  212.454 22.765  232.263 15.036  -19.80872      27.28236 
1 1 1 -8  3  57 o 454.652  16.889  1850.06    134.071 1646.22    231.442 1953.00    164.479 414.755 32.211  464.622 20.274  -49.86655      38.06071 
1 1 1 -8  3  58 o 59.609   16.797  32.755     18.231  28.881     22.453  40.253     31.234  57.688  19.121  67.636  22.559  -9.948002      29.57211 
1 1 1 -8  3  59 o 212.492  14.388  404.563    53.069  313.000    73.421  504.736    76.795  182.817 23.548  235.386 18.843  -52.56900      30.15892 
1 1 1 -8  3  60 o 164.332  21.202  251.423    59.417  251.423    59.417  0.0000     0.0000  164.332 21.202  ?       ?       0.000000       21.20193 
1 1 1 -8  3  61 o 104.957  12.665  99.452     22.741  96.230     27.898  105.831    39.259  102.183 16.175  105.178 22.080  -2.995102      27.37068 
1 1 1 -8  3  62 o 230.391  12.762  475.159    51.140  452.933    62.593  519.782    88.691  223.265 16.166  235.594 21.808  -12.32889      27.14574 
1 1 1 -8  3  63 o 143.380  12.191  184.690    30.231  161.903    37.046  230.114    52.304  132.684 16.335  156.958 19.506  -24.27385      25.44229 
1 1 1 -8  3  64 o 175.587  10.590  274.973    32.316  266.815    45.253  283.461    46.163  171.004 15.318  176.381 15.136  -5.377167      21.53456 
1 1 1 -8  3  65 o 44.737   14.327  17.812     12.661  25.006     16.636  7.9085     19.518  52.336  16.382  42.047  17.053  10.28971       23.64693 
1 1 1 -8  3  66 o 42.897   14.362  15.891     12.660  24.002     16.722  4.9996     19.378  51.449  16.463  40.279  16.732  11.16947       23.47303 
1 1 1 -8  3  67 o 116.865  10.872  123.003    21.930  114.682    30.676  131.701    31.363  110.711 16.362  119.190 15.432  -8.478798      22.49123 
1 1 1 -8  3  68 o 114.318  13.495  119.943    26.417  131.438    32.975  99.350     44.137  118.438 16.384  98.274  25.502  20.16463       30.31123 
1 1 1 -8  3  69 o 74.987   25.323  55.662     39.360  55.662     39.360  0.0000     0.0000  74.987  25.323  ?       ?       0.000000       25.32278 
1 1 1 -8  3  70 o 68.002   24.628  43.086     37.632  43.086     37.632  0.0000     0.0000  68.002  24.628  ?       ?       0.000000       24.62764 
1 1 1 -8  4  1  o 115.831  8.9553  118.090    17.971  116.475    25.268  119.743    25.565  114.535 12.857  116.155 12.819  -1.619835      18.15545 
1 1 1 -8  4  2  o 252.282  10.377  557.291    45.713  501.909    64.496  613.196    64.799  238.483 15.574  263.935 14.112  -25.45177      21.01674 
1 1 1 -8  4  3  o 538.168  16.086  2546.18    151.156 2375.16    213.699 2717.42    213.834 517.704 23.641  554.270 22.095  -36.56635      32.35837 
1 1 1 -8  4  4  o 363.255  12.194  1156.56    77.341  1076.03    109.291 1237.34    109.464 349.123 17.990  375.079 16.714  -25.95676      24.55586 
1 1 1 -8  4  5  o 71.198   8.4357  44.957     10.283  39.893     14.189  50.559     14.924  66.359  12.709  75.070  11.772  -8.710800      17.32344 
1 1 1 -8  4  6  o 166.438  9.3248  243.140    26.990  184.378    37.796  304.285    38.555  144.103 15.253  185.973 11.936  -41.86949      19.36831 
1 1 1 -8  4  7  o 126.559  9.7484  140.996    21.376  145.351    29.771  136.362    30.712  128.033 13.522  123.821 14.479  4.212173       19.81091 
1 1 1 -8  4  8  o 346.714  14.434  1054.84    87.380  1004.40    151.212 1080.13    107.065 335.452 26.020  350.427 17.498  -14.97482      31.35623 
1 1 1 -8  4  9  o 409.969  15.992  1476.31    114.475 1368.66    198.140 1530.25    140.251 390.948 29.238  416.820 19.271  -25.87189      35.01733 
1 1 1 -8  4  10 o 534.218  19.541  2513.81    182.276 2156.38    315.646 2692.63    223.264 487.805 37.342  551.902 23.168  -64.09650      43.94572 
1 1 1 -8  4  11 o 677.474  22.782  4054.47    269.487 3880.49    466.772 4141.45    330.052 653.048 41.146  682.800 27.684  -29.75159      49.59179 
1 1 1 -8  4  12 o 256.166  12.807  574.994    57.283  477.409    99.119  623.930    70.191  230.952 24.977  266.224 15.163  -35.27193      29.21932 
1 1 1 -8  4  13 o 80.618   9.7557  57.685     13.453  62.999     18.894  52.222     19.159  83.755  13.369  75.843  14.999  7.911713       20.09272 
1 1 1 -8  4  14 o 453.304  14.866  1802.46    117.661 1728.63    135.890 2023.60    235.182 443.511 17.548  476.538 28.393  -33.02692      33.37830 
1 1 1 -8  4  15 o 274.204  11.228  658.159    53.755  655.696    62.101  665.521    107.355 273.568 13.001  273.717 22.667  -0.1489563     26.13031 
1 1 1 -8  4  16 o 506.117  16.062  2248.20    141.941 2193.43    163.926 2412.29    283.742 499.427 18.798  519.506 31.428  -20.07904      36.62100 
1 1 1 -8  4  17 o 366.974  13.077  1179.77    83.792  1155.64    96.781  1251.99    167.444 362.975 15.270  375.353 25.703  -12.37766      29.89735 
1 1 1 -8  4  18 o 30.667   10.612  7.3881     6.9212  15.191     8.8682  -4.7711    11.070  41.175  11.754  26.382  11.781  14.79293       16.64219 
1 1 1 -8  4  19 o 358.297  12.687  1124.32    79.369  1120.58    91.687  1135.52    158.529 357.509 14.688  357.480 25.566  0.2899170E-01  29.48527 
1 1 1 -8  4  20 f 562.478  17.419  2778.41    171.075 2730.28    197.581 2922.56    341.944 556.997 20.316  571.066 34.454  -14.06854      39.99789 
1 1 1 -8  4  21 o 457.427  14.279  1833.89    114.048 1957.32    161.472 1711.02    161.106 471.757 19.603  440.852 20.929  30.90567       28.67588 
1 1 1 -8  4  22 o 152.973  9.3710  205.405    24.909  229.304    35.546  182.346    34.917  161.318 12.723  143.564 14.111  17.75417       19.00012 
1 1 1 -8  4  23 o 129.581  12.682  148.438    28.326  0.0000     0.0000  148.438    28.326  ?       ?       129.581 12.682  0.000000       12.68170 
1 1 1 -8  4  24 o 378.399  15.293  1255.64    101.041 0.0000     0.0000  1255.64    101.041 ?       ?       378.399 15.293  0.000000       15.29269 
1 1 1 -8  4  25 o 615.422  21.277  3335.20    228.638 0.0000     0.0000  3335.20    228.638 ?       ?       615.422 21.277  0.000000       21.27707 
1 1 1 -8  4  26 o 438.419  16.609  1686.98    127.143 1719.52    220.474 1670.76    155.627 439.382 28.899  435.713 20.456  3.668762       35.40625 
1 1 1 -8  4  27 o 355.929  14.728  1110.66    91.531  1102.29    158.904 1114.81    111.974 352.100 26.031  355.765 18.085  -3.665009      31.69692 
1 1 1 -8  4  28 o 342.845  14.042  1030.15    84.058  1120.58    145.957 985.270    102.821 355.568 23.644  334.461 17.669  21.10672       29.51688 
1 1 1 -8  4  29 o 724.602  24.565  4638.43    310.794 4465.56    538.513 4724.77    380.573 700.552 44.252  729.257 29.888  -28.70532      53.39942 
1 1 1 -8  4  30 o 690.027  20.325  4191.09    244.887 4338.22    489.957 4142.10    282.736 692.496 40.700  684.996 23.639  7.500610       47.06670 
1 1 1 -8  4  31 o 762.040  21.333  5116.42    283.858 5336.04    567.867 5043.26    327.742 766.812 42.580  755.344 24.850  11.46790       49.30096 
1 1 1 -8  4  32 o 371.059  12.762  1206.07    82.682  1232.32    165.494 1197.34    95.448  372.353 25.610  369.501 14.794  2.851654       29.57620 
1 1 1 -8  4  33 o 199.152  11.472  348.359    39.722  422.453    69.088  311.773    48.548  218.462 18.280  187.954 14.916  30.50844       23.59304 
1 1 1 -8  4  34 f 751.406  24.975  4995.09    327.668 4994.74    401.347 4995.79    567.434 748.864 30.694  740.044 44.114  8.819824       53.74135 
1 1 1 -8  4  35 o 551.654  19.003  2677.91    183.043 2568.71    224.207 2896.15    316.964 539.080 23.820  568.744 32.048  -29.66382      39.93069 
1 1 1 -8  4  36 o 20.267   8.7174  -0.5313    5.5695  2.3733     6.4419  -9.1292    11.083  24.513  9.8477  24.219  11.187  0.2939587      14.90411 
1 1 1 -8  4  37 o 274.908  15.982  665.918    76.386  665.918    76.386  0.0000     0.0000  274.908 15.982  ?       ?       0.000000       15.98231 
1 1 1 -8  4  38 o 547.662  24.169  2655.39    231.122 2655.39    231.122 0.0000     0.0000  547.662 24.169  ?       ?       0.000000       24.16945 
1 1 1 -8  4  39 o 160.542  14.156  227.873    39.276  227.873    39.276  0.0000     0.0000  160.542 14.156  ?       ?       0.000000       14.15630 
1 1 1 -8  4  40 o 158.754  11.893  222.070    32.727  225.629    39.245  213.945    59.300  159.717 14.221  153.916 22.751  5.800812       26.83007 
1 1 1 -8  4  41 o 211.177  10.794  391.593    39.667  432.915    55.798  349.368    56.403  221.578 14.502  198.650 16.408  22.92851       21.89827 
1 1 1 -8  4  42 o 533.532  18.686  2510.18    174.079 2294.54    301.639 2617.86    213.158 503.012 34.553  543.654 22.455  -40.64175      41.20874 
1 1 1 -8  4  43 o ?        ?       -155.4693  6.8490  -152.1130  9.3777  -159.3065  10.027  ?       ?       ?       ?       0.000000       ?        
1 1 1 -8  4  44 o 315.538  11.953  873.273    65.854  917.495    93.028  828.852    93.236  322.324 16.586  306.111 17.517  16.21313       24.12290 
1 1 1 -8  4  45 o 248.339  10.813  540.619    46.887  545.732    66.192  535.469    66.425  248.541 15.327  246.145 15.535  2.395599       21.82349 
1 1 1 -8  4  46 o 332.187  12.032  968.627    69.788  953.917    98.675  983.349    98.716  328.274 17.276  333.381 17.015  -5.106812      24.24800 
1 1 1 -8  4  47 o 243.639  10.898  520.755    46.363  536.053    65.342  505.244    65.796  246.158 15.278  238.827 15.868  7.330154       22.02773 
1 1 1 -8  4  48 o 305.101  11.577  817.579    61.676  806.626    87.217  828.535    87.228  301.652 16.623  305.796 16.396  -4.144135      23.34876 
1 1 1 -8  4  49 o 132.559  10.107  155.066    23.218  142.992    32.883  167.068    32.787  126.383 15.206  137.000 13.899  -10.61657      20.60094 
1 1 1 -8  4  50 o 237.930  12.478  499.746    51.660  435.068    89.667  531.880    63.203  218.702 23.868  244.929 14.849  -26.22697      28.11036 
1 1 1 -8  4  51 o 43.270   15.710  13.700     15.328  0.0000     0.0000  13.700     15.328  ?       ?       43.270  15.710  0.000000       15.71016 
1 1 1 -8  4  52 o 37.195   14.496  7.5706     13.571  0.0000     0.0000  7.5706     13.571  ?       ?       37.195  14.496  0.000000       14.49601 
1 1 1 -8  4  53 o 93.966   12.104  79.142     19.397  72.128     30.430  83.943     25.175  87.928  20.240  96.067  15.539  -8.138779      25.51663 
1 1 1 -8  4  54 o 203.830  11.799  367.881    41.812  317.955    70.740  394.689    51.836  186.095 22.209  210.506 14.186  -24.41042      26.35299 
1 1 1 -8  4  55 o 292.415  12.845  757.167    65.582  664.055    112.133 805.576    80.852  268.150 24.211  300.294 15.473  -32.14432      28.73240 
1 1 1 -8  4  56 o 178.930  10.096  283.078    31.414  275.746    43.801  290.844    45.079  175.443 14.426  180.204 14.448  -4.760834      20.41735 
1 1 1 -8  4  57 o 380.818  12.976  1288.21    86.279  1242.93    121.859 1333.73    122.176 370.077 18.922  384.304 18.207  -14.22787      26.25908 
1 1 1 -8  4  58 o 203.537  10.095  365.848    35.875  356.531    50.655  375.224    50.816  199.171 14.669  204.486 14.323  -5.314957      20.50170 
1 1 1 -8  4  59 o 36.985   13.465  10.096     11.270  11.183     13.997  8.0920     19.003  40.045  14.931  42.039  16.905  -1.994835      22.55436 
1 1 1 -8  4  60 f 97.139   11.536  84.962     19.184  87.061     25.755  82.346     28.751  97.146  15.721  93.614  18.245  3.531609       24.08376 
1 1 1 -8  4  61 o 279.573  13.552  700.670    66.154  702.749    80.891  696.472    114.953 277.632 16.765  269.885 24.666  7.746185       29.82465 
1 1 1 -8  4  62 o 118.107  12.729  126.217    25.835  114.193    31.381  151.505    45.510  110.875 16.730  125.837 21.484  -14.96159      27.22960 
1 1 1 -8  4  63 o 65.933   15.274  40.932     17.239  26.346     20.101  81.488     33.518  54.418  18.094  91.481  21.370  -37.06334      28.00148 
1 1 1 -8  4  64 o 111.521  12.163  112.704    23.299  83.573     27.670  183.697    43.195  93.959  17.510  139.995 18.094  -46.03615      25.17937 
1 1 1 -8  4  65 o 84.404   17.543  68.011     25.010  68.011     25.010  0.0000     0.0000  84.404  17.543  ?       ?       0.000000       17.54300 
1 1 1 -8  4  66 o 97.051   14.084  87.151     23.170  87.604     27.458  86.030     43.177  96.146  16.976  91.482  25.874  4.663666       30.94603 
1 1 1 -8  4  67 o 86.275   19.853  73.080     29.287  86.932     40.934  58.553     41.919  91.941  24.889  76.827  26.132  15.11451       36.08800 
1 1 1 -8  4  68 o 46.916   18.261  14.769     21.516  8.7652     29.331  21.764     31.660  48.834  20.459  55.881  22.032  -7.047237      30.06681 
1 1 1 -8  4  69 o 110.590  11.103  111.155    21.151  86.418     28.719  140.474    31.266  94.338  18.093  122.640 14.907  -28.30236      23.44329 
1 1 1 -8  5  1  o 520.112  16.017  2376.71    145.462 2188.56    205.652 2565.07    205.778 497.244 23.686  538.864 21.870  -41.61948      32.23918 
1 1 1 -8  5  2  o 505.437  15.365  2243.22    135.604 1963.09    191.691 2523.83    191.855 471.067 23.305  534.909 20.541  -63.84171      31.06597 
1 1 1 -8  5  3  o 493.514  15.499  2138.72    133.559 1967.70    188.790 2310.06    188.972 471.755 22.919  511.626 21.154  -39.87146      31.18913 
1 1 1 -8  5  4  o 151.172  9.5086  200.733    24.971  178.315    34.969  224.057    35.669  141.857 14.314  159.363 12.930  -17.50577      19.28922 
1 1 1 -8  5  5  o 168.272  9.5694  248.537    28.000  241.490    39.489  255.662    39.709  165.376 13.801  170.236 13.469  -4.860168      19.28447 
1 1 1 -8  5  6  o 828.003  23.328  6061.46    337.262 5760.95    476.918 6362.08    477.002 801.538 34.077  843.393 32.391  -41.85565      47.01500 
1 1 1 -8  5  7  o 210.706  9.7624  388.456    35.917  387.489    50.713  389.430    50.875  209.750 13.926  210.275 13.935  -0.5254059     19.70113 
1 1 1 -8  5  8  f 613.362  20.307  3315.27    217.483 3222.77    376.726 3361.51    266.349 597.699 36.269  616.235 24.754  -18.53607      43.91145 
1 1 1 -8  5  9  o 514.041  18.420  2324.48    165.328 2051.77    286.337 2460.86    202.492 477.261 34.595  528.065 21.961  -50.80457      40.97726 
1 1 1 -8  5  10 o 313.221  13.409  859.943    73.333  863.746    127.067 858.043    89.796  311.775 23.514  312.122 16.536  -0.3474731     28.74645 
1 1 1 -8  5  11 o 127.056  9.4733  141.995    20.865  197.236    36.019  114.093    25.598  149.340 13.975  113.345 13.180  35.99472       19.21025 
1 1 1 -8  5  12 o 380.200  19.688  1275.93    130.253 1147.09    184.426 1404.15    183.986 357.884 29.784  397.130 26.688  -39.24554      39.99159 
1 1 1 -8  5  13 o 478.445  17.475  2011.55    145.982 2045.30    178.886 1944.28    252.580 481.688 21.269  466.090 31.216  15.59827       37.77355 
1 1 1 -8  5  14 o 1102.36  36.400  10907.62   700.629 10691.84   858.171 11338.93   1213.30 1083.22 45.373  1091.86 63.920  -8.636353      78.38649 
1 1 1 -8  5  15 o 322.766  12.125  912.320    68.335  912.644    78.970  911.351    136.344 322.656 14.017  320.162 24.577  2.494690       28.29338 
1 1 1 -8  5  16 o 410.930  13.615  1479.94    97.688  1535.00    112.864 1315.49    195.048 418.272 15.454  383.685 29.336  34.58633       33.15789 
1 1 1 -8  5  17 o 751.766  21.794  4982.62    286.081 4876.75    330.380 5299.92    571.946 742.406 25.486  763.506 43.078  -21.10004      50.05281 
1 1 1 -8  5  18 o 517.470  15.503  2349.38    140.077 2425.13    161.809 2122.84    279.830 525.364 17.639  486.571 33.134  38.79263       37.53705 
1 1 1 -8  5  19 o 814.653  22.745  5855.76    323.542 5828.79    373.647 5936.58    646.807 811.300 26.376  805.967 46.153  5.333435       53.15884 
1 1 1 -8  5  20 o 358.244  14.639  1125.39    91.571  1125.39    91.571  0.0000     0.0000  358.244 14.639  ?       ?       0.000000       14.63913 
1 1 1 -8  5  21 o 886.653  36.316  7050.29    562.236 7050.29    562.236 0.0000     0.0000  886.653 36.316  ?       ?       0.000000       36.31636 
1 1 1 -8  5  22 o 843.310  34.381  6360.79    506.250 6360.79    506.250 0.0000     0.0000  843.310 34.381  ?       ?       0.000000       34.38068 
1 1 1 -8  5  23 o 497.669  32.261  2217.76    278.828 2217.76    278.828 0.0000     0.0000  497.669 32.261  ?       ?       0.000000       32.26112 
1 1 1 -8  5  24 o 608.273  37.618  3337.45    397.577 3337.45    397.577 0.0000     0.0000  608.273 37.618  ?       ?       0.000000       37.61805 
1 1 1 -8  5  25 o 644.480  39.466  3757.68    441.975 3757.68    441.975 0.0000     0.0000  644.480 39.466  ?       ?       0.000000       39.46592 
1 1 1 -8  5  26 o 197.301  21.211  346.931    71.924  346.931    71.924  0.0000     0.0000  197.301 21.211  ?       ?       0.000000       21.21081 
1 1 1 -8  5  27 o 454.764  30.329  1848.81    239.450 1848.81    239.450 0.0000     0.0000  454.764 30.329  ?       ?       0.000000       30.32944 
1 1 1 -8  5  28 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -8  5  29 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -8  5  30 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -8  5  31 f 101.982  14.932  93.165     25.802  76.866     37.899  107.246    35.226  91.539  23.570  108.799 19.247  -17.25949      30.42990 
1 1 1 -8  5  32 o 366.387  17.819  1180.64    113.998 1249.47    161.605 1112.47    160.832 374.835 24.832  353.206 26.266  21.62869       36.14649 
1 1 1 -8  5  33 o 234.082  14.437  482.559    58.721  539.162    83.664  427.604    82.436  246.626 19.590  219.016 21.848  27.60927       29.34457 
1 1 1 -8  5  34 o 330.232  14.653  957.096    84.493  848.674    147.062 1010.52    103.232 307.734 27.665  338.499 17.526  -30.76520      32.74908 
1 1 1 -8  5  35 o 518.930  17.253  2368.71    156.328 2350.33    270.858 2377.89    191.430 512.045 30.432  518.965 21.126  -6.920227      37.04577 
1 1 1 -8  5  36 o 172.484  9.2721  261.067    27.822  267.152    38.893  254.689    39.816  174.080 12.887  169.861 13.537  4.218750       18.69032 
1 1 1 -8  5  37 o 178.262  9.8418  279.003    30.515  267.763    42.918  290.494    43.395  174.077 14.245  181.424 13.802  -7.347382      19.83470 
1 1 1 -8  5  38 o 408.637  13.683  1465.57    97.629  1458.25    137.992 1472.92    138.143 406.522 19.441  408.578 19.364  -2.056671      27.43891 
1 1 1 -8  5  39 o 422.707  13.148  1567.96    97.041  1499.50    136.986 1636.92    137.487 412.225 19.032  430.879 18.274  -18.65411      26.38498 
1 1 1 -8  5  40 o 382.593  12.508  1284.17    83.559  1279.36    117.938 1289.02    118.405 380.943 17.731  382.377 17.734  -1.434357      25.07762 
1 1 1 -8  5  41 o ?        ?       -54.2378   2.8777  -47.9814   4.0172  -60.8320   4.1243  ?       ?       ?       ?       0.000000       ?        
1 1 1 -8  5  42 o 503.706  18.305  2241.16    160.992 2141.42    196.991 2441.76    279.366 490.722 22.990  519.350 30.948  -28.62787      38.55272 
1 1 1 -8  5  43 o 165.286  11.636  240.890    33.368  222.932    40.108  281.262    60.138  158.499 14.659  177.142 19.781  -18.64279      24.62029 
1 1 1 -8  5  44 o 597.579  20.417  3170.04    213.031 3009.01    260.740 3493.35    369.458 579.367 25.775  617.164 34.422  -37.79718      43.00226 
1 1 1 -8  5  45 o 249.854  12.408  548.687    54.133  565.043    92.705  540.225    66.682  251.057 21.351  246.978 15.542  4.079498       26.40842 
1 1 1 -8  5  46 o 258.147  12.495  586.143    56.322  556.785    96.633  601.247    69.312  248.598 22.506  260.536 15.303  -11.93759      27.21616 
1 1 1 -8  5  47 o 263.287  12.872  610.442    59.175  613.465    101.627 608.891    72.787  260.737 22.544  261.872 15.995  -1.134888      27.64215 
1 1 1 -8  5  48 o 281.345  12.770  697.518    62.733  588.186    107.732 753.612    77.166  254.133 24.586  291.493 15.214  -37.36017      28.91222 
1 1 1 -8  5  49 o 420.692  15.947  1569.74    117.140 1445.37    202.207 1632.56    143.711 395.322 29.507  427.496 19.253  -32.17343      35.23244 
1 1 1 -8  5  50 o 224.604  10.721  443.901    42.047  425.119    59.276  462.923    59.652  218.304 15.655  228.023 15.067  -9.719238      21.72780 
1 1 1 -8  5  51 o 283.181  11.346  706.876    56.103  659.869    79.102  754.458    79.584  271.587 16.763  290.876 15.728  -19.28925      22.98601 
1 1 1 -8  5  52 o 204.955  10.479  370.969    37.376  343.094    52.785  399.000    52.931  195.723 15.574  211.523 14.417  -15.79942      21.22320 
1 1 1 -8  5  53 o 280.653  13.052  698.154    63.960  641.273    110.864 726.532    78.306  263.147 24.406  284.898 15.803  -21.75095      29.07607 
1 1 1 -8  5  54 o 472.314  17.675  2007.07    145.768 1904.35    252.589 2058.37    178.490 443.377 32.861  474.923 21.524  -31.54666      39.28288 
1 1 1 -8  5  55 o 150.590  12.051  202.270    31.420  192.947    55.017  206.783    38.276  143.288 22.750  151.518 14.651  -8.228973      27.05944 
1 1 1 -8  5  56 o 65.064   15.233  39.416     17.001  43.558     29.629  37.383     20.758  68.943  21.899  63.377  17.946  5.566235       28.31292 
1 1 1 -8  5  57 o 157.721  10.193  220.907    27.921  202.839    38.644  240.640    40.387  149.630 14.993  163.346 14.304  -13.71596      20.72192 
1 1 1 -8  5  58 o 127.512  12.148  146.053    26.720  143.352    33.061  151.140    45.374  125.254 15.444  126.259 21.342  -1.005386      26.34421 
1 1 1 -8  5  59 o 77.477   17.127  56.647     22.553  56.647     22.553  0.0000     0.0000  77.477  17.127  ?       ?       0.000000       17.12661 
1 1 1 -8  5  60 o 117.512  14.949  126.647    29.978  126.647    29.978  0.0000     0.0000  117.512 14.949  ?       ?       0.000000       14.94871 
1 1 1 -8  5  61 o 87.671   13.056  70.440     19.376  77.083     23.973  57.927     32.903  90.921  15.666  77.095  22.828  13.82619       27.68646 
1 1 1 -8  5  62 o 41.662   16.319  10.327     17.265  29.097     27.254  -2.2540    22.314  58.570  20.991  39.406  17.195  19.16388       27.13471 
1 1 1 -8  5  63 o 43.809   16.729  13.125     17.810  -28.0044   26.531  46.864     24.030  34.754  16.452  69.608  19.164  -34.85343      25.25738 
1 1 1 -8  5  64 o 84.055   18.579  68.381     26.543  65.378     37.786  71.305     37.292  80.584  24.601  83.978  24.145  -3.394524      34.46994 
1 1 1 -8  5  65 o 102.795  13.288  97.298     23.293  71.628     27.668  159.771    43.162  85.716  18.986  128.580 19.865  -42.86364      27.47916 
1 1 1 -8  5  66 o 115.570  12.627  122.346    25.067  82.859     30.284  208.258    44.670  91.877  19.482  148.198 17.607  -56.32130      26.25967 
1 1 1 -8  5  67 o 191.815  12.075  334.514    40.236  258.820    48.736  496.554    71.307  165.322 17.132  228.530 18.016  -63.20874      24.86137 
1 1 1 -8  5  68 o 69.128   13.968  45.351     16.280  47.329     22.469  43.165     23.620  69.200  18.311  66.021  19.283  3.179390       26.59225 
1 1 1 -8  6  1  o 534.958  18.857  2520.79    176.136 2649.91    304.992 2456.18    215.751 542.966 32.316  526.782 23.456  16.18353       39.93164 
1 1 1 -8  6  2  o 426.455  18.128  1600.73    134.988 0.0000     0.0000  1600.73    134.988 ?       ?       426.455 18.128  0.000000       18.12836 
1 1 1 -8  6  3  o 582.535  19.717  2991.03    200.553 2808.37    347.235 3082.47    245.672 557.346 35.871  590.078 23.844  -32.73126      43.07330 
1 1 1 -8  6  4  o 581.731  20.511  2984.83    208.336 2932.69    360.715 3010.93    255.205 569.347 36.477  582.802 25.079  -13.45569      44.26609 
1 1 1 -8  6  5  o 310.198  13.488  843.766    73.057  887.875    126.343 821.609    89.546  316.067 23.052  305.266 16.865  10.80124       28.56306 
1 1 1 -8  6  6  o 283.718  12.697  705.481    62.899  608.920    108.631 754.183    77.148  261.221 24.088  292.724 15.146  -31.50314      28.45396 
1 1 1 -8  6  7  o 355.552  14.709  1109.36    91.318  1104.33    157.984 1111.88    111.906 351.954 25.890  355.035 18.112  -3.081238      31.59606 
1 1 1 -8  6  8  o 450.007  16.508  1779.35    129.711 1754.69    224.421 1791.73    158.950 442.972 29.178  450.853 20.191  -7.880829      35.48337 
1 1 1 -8  6  9  o 491.790  21.229  2133.87    182.297 0.0000     0.0000  2133.87    182.297 ?       ?       491.790 21.229  0.000000       21.22933 
1 1 1 -8  6  10 o 836.441  34.975  6282.63    510.799 0.0000     0.0000  6282.63    510.799 ?       ?       836.441 34.975  0.000000       34.97452 
1 1 1 -8  6  11 o 505.870  22.087  2259.49    195.092 2436.56    276.093 2082.90    275.712 521.869 30.431  481.343 33.004  40.52618       44.89244 
1 1 1 -8  6  12 o 186.409  11.958  305.610    38.716  287.524    47.498  341.418    66.833  180.361 15.225  195.893 19.812  -15.53215      24.98581 
1 1 1 -8  6  13 o 351.481  14.483  1083.76    88.883  1091.40    108.908 1068.53    153.812 351.848 17.785  346.327 25.617  5.520721       31.18576 
1 1 1 -8  6  14 o 274.423  13.302  660.150    63.737  658.001    78.097  664.437    110.294 273.198 16.448  273.204 23.345  -0.5676270E-02 28.55767 
1 1 1 -8  6  15 o 347.253  14.647  1057.95    88.811  1069.57    108.832 1034.78    153.656 348.273 17.958  340.682 26.028  7.590332       31.62153 
1 1 1 -8  6  16 o 411.497  16.093  1487.12    115.630 1522.56    141.691 1416.47    200.067 415.792 19.517  397.974 28.990  17.81805       34.94771 
1 1 1 -8  6  17 o 243.299  11.256  518.299    47.816  607.810    58.729  342.292    82.353  263.362 12.771  195.151 24.723  68.21066       27.82671 
1 1 1 -8  6  18 o 1053.23  33.463  9935.07    615.396 10317.26   753.761 9171.04    1065.74 1067.11 40.454  980.067 62.604  87.04736       74.53737 
1 1 1 -8  6  19 o 898.981  53.835  7549.42    841.156 7549.42    841.156 0.0000     0.0000  898.981 53.835  ?       ?       0.000000       53.83517 
1 1 1 -8  6  20 o 325.730  25.049  945.056    141.372 945.056    141.372 0.0000     0.0000  325.730 25.049  ?       ?       0.000000       25.04855 
1 1 1 -8  6  21 o 186.464  20.954  310.381    67.042  310.381    67.042  0.0000     0.0000  186.464 20.954  ?       ?       0.000000       20.95442 
1 1 1 -8  6  22 o 412.188  19.756  1496.87    142.186 1496.87    142.186 0.0000     0.0000  412.188 19.756  ?       ?       0.000000       19.75599 
1 1 1 -8  6  23 o 59.362   18.862  30.448     21.979  30.448     21.979  0.0000     0.0000  59.362  18.862  ?       ?       0.000000       18.86189 
1 1 1 -8  6  24 o 310.230  16.835  848.364    90.849  779.649    128.056 917.996    128.908 295.618 25.044  321.421 23.124  -25.80301      34.08674 
1 1 1 -8  6  25 o 385.414  18.802  1307.93    126.530 1238.75    178.517 1377.76    179.368 372.286 27.660  393.153 26.280  -20.86697      38.15409 
1 1 1 -8  6  26 o 356.609  18.039  1121.88    111.959 1031.11    157.974 1213.48    158.696 339.674 26.854  369.266 24.756  -29.59174      36.52443 
1 1 1 -8  6  27 o 635.050  26.590  3582.75    294.836 3307.45    416.783 3858.53    417.141 602.567 39.838  653.010 36.734  -50.44263      54.18914 
1 1 1 -8  6  28 o 103.100  15.532  95.415     27.094  96.937     36.624  93.575     40.267  102.964 21.081  100.862 23.329  2.101311       31.44253 
1 1 1 -8  6  29 o 438.763  20.464  1698.88    156.778 1605.57    221.523 1792.50    221.913 422.895 30.199  447.587 28.544  -24.69214      41.55372 
1 1 1 -8  6  30 o 209.975  14.938  389.104    54.411  352.566    76.362  426.788    77.550  198.430 22.434  218.957 20.524  -20.52739      30.40548 
1 1 1 -8  6  31 o 270.805  16.333  647.164    76.868  642.370    108.201 652.049    109.221 268.315 23.327  270.334 23.369  -2.019104      33.01914 
1 1 1 -8  6  32 o 572.056  24.611  2905.23    245.831 2702.34    347.415 3108.69    347.900 545.116 36.714  586.382 34.127  -41.26599      50.12531 
1 1 1 -8  6  33 o 376.643  27.357  1271.34    178.687 0.0000     0.0000  1271.34    178.687 ?       ?       376.643 27.357  0.000000       27.35740 
1 1 1 -8  6  34 o 485.977  32.154  2133.71    271.304 0.0000     0.0000  2133.71    271.304 ?       ?       485.977 32.154  0.000000       32.15433 
1 1 1 -8  6  35 o 275.853  24.031  681.019    114.593 0.0000     0.0000  681.019    114.593 ?       ?       275.853 24.031  0.000000       24.03145 
1 1 1 -8  6  36 o 497.728  32.816  2246.47    283.596 0.0000     0.0000  2246.47    283.596 ?       ?       497.728 32.816  0.000000       32.81633 
1 1 1 -8  6  37 o ?        ?       -65.7691   7.7040  -65.7691   7.7040  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 -8  6  38 o 207.545  21.378  385.995    76.363  0.0000     0.0000  385.995    76.363  ?       ?       207.545 21.378  0.000000       21.37807 
1 1 1 -8  6  39 o 63.856   15.192  37.339     16.692  51.456     22.873  21.256     24.414  74.850  17.767  54.265  19.808  20.58501       26.60902 
1 1 1 -8  6  40 o 8.0472   4.0473  -7.8862    2.5567  -7.9255    2.5720  -4.6264    23.443  8.0745  4.0608  40.347  17.615  -32.27228      18.07675 
1 1 1 -8  6  41 o 365.576  14.856  1177.77    94.827  1097.06    163.406 1218.75    116.439 348.119 27.096  371.080 17.971  -22.96103      32.51415 
1 1 1 -8  6  42 o 563.177  18.516  2812.72    182.074 2492.22    314.712 2973.96    223.225 518.922 34.937  577.163 22.150  -58.24091      41.36689 
1 1 1 -8  6  43 o 436.842  13.829  1681.96    105.480 1551.43    148.980 1813.17    149.364 417.208 20.451  451.691 18.938  -34.48309      27.87299 
1 1 1 -8  6  44 o 144.703  10.082  184.690    25.314  192.361    35.225  176.498    36.401  147.037 13.885  140.547 15.068  6.489243       20.48990 
1 1 1 -8  6  45 o 130.122  10.086  149.586    22.737  171.801    31.615  125.784    32.724  138.963 13.187  118.046 16.312  20.91618       20.97592 
1 1 1 -8  6  46 f 404.047  14.751  1445.19    104.070 1378.70    127.216 1579.72    180.949 393.078 18.535  416.438 25.001  -23.35983      31.12245 
1 1 1 -8  6  47 o 107.311  11.558  102.617    21.315  88.928     25.162  137.404    40.112  99.084  15.014  122.468 19.405  -23.38394      24.53527 
1 1 1 -8  6  48 o 253.040  12.542  565.710    55.414  512.010    67.318  678.574    97.595  239.268 16.209  273.709 20.571  -34.44183      26.18991 
1 1 1 -8  6  49 o 25.821   10.858  0.7508     8.3110  -0.3486    8.8528  8.9169     24.128  25.797  11.040  46.798  18.967  -21.00120      21.94646 
1 1 1 -8  6  50 o 272.110  11.040  653.521    52.455  609.856    73.942  697.761    74.427  260.717 16.325  279.380 15.315  -18.66290      22.38461 
1 1 1 -8  6  51 o 205.660  10.257  373.070    36.831  316.204    51.586  432.201    52.604  187.374 15.918  220.059 13.759  -32.68425      21.04064 
1 1 1 -8  6  52 o 134.873  10.345  161.529    24.177  157.891    33.272  165.598    35.190  132.225 14.658  135.299 15.156  -3.074799      21.08470 
1 1 1 -8  6  53 o 138.405  10.468  170.285    25.111  181.313    34.864  158.397    36.197  141.783 14.277  131.862 16.053  9.921051       21.48316 
1 1 1 -8  6  54 o 62.331   16.226  36.319     17.831  36.319     17.831  0.0000     0.0000  62.331  16.226  ?       ?       0.000000       16.22560 
1 1 1 -8  6  55 o 126.948  15.138  146.919    32.893  146.919    32.893  0.0000     0.0000  126.948 15.138  ?       ?       0.000000       15.13769 
1 1 1 -8  6  56 o 122.938  22.556  145.309    46.634  145.309    46.634  0.0000     0.0000  122.938 22.556  ?       ?       0.000000       22.55593 
1 1 1 -8  6  57 o 98.044   16.882  89.852     27.858  93.081     39.269  86.581     39.527  97.340  23.395  93.641  24.049  3.698425       33.55119 
1 1 1 -8  6  58 o 39.277   16.021  6.2051     17.347  9.5598     24.088  2.5910     25.002  46.357  18.891  43.796  18.643  2.560570       26.54116 
1 1 1 -8  6  59 o 64.221   16.806  39.238     19.065  44.807     32.538  36.327     23.526  69.105  23.023  62.236  19.481  6.869308       30.15925 
1 1 1 -8  6  60 o 26.180   11.523  -2.4419    10.215  3.9686     12.044  -18.8699   19.281  32.637  13.335  30.321  14.252  2.315292       19.51810 
1 1 1 -8  6  61 o 35.842   13.817  8.0991     12.225  10.485     15.181  3.6973     20.620  40.052  15.409  40.522  17.075  -0.4707489     22.99948 
1 1 1 -8  6  62 o 108.863  11.752  107.752    21.985  112.366    29.275  101.785    33.294  109.536 15.760  102.484 19.314  7.052078       24.92820 
1 1 1 -8  6  63 o 266.690  11.449  640.226    53.311  586.240    74.655  696.400    76.154  250.040 17.204  273.866 15.995  -23.82570      23.49113 
1 1 1 -8  6  64 o 94.498   12.018  81.944     19.381  72.050     25.674  95.050     29.550  86.207  17.651  99.319  17.688  -13.11183      24.98841 
1 1 1 -8  6  65 o 50.744   14.582  24.406     13.606  17.029     18.077  34.044     20.664  46.153  17.015  59.363  18.205  -13.21000      24.91823 
1 1 1 -8  6  66 o 123.631  11.155  139.256    23.820  150.985    33.306  126.974    34.082  126.485 15.398  114.584 17.597  11.90031       23.38312 
1 1 1 -8  7  1  f 478.020  18.100  2013.56    151.073 2062.41    184.992 1915.76    261.762 482.734 21.947  460.381 32.777  22.35214       39.44659 
1 1 1 -8  7  2  o 352.929  14.767  1094.15    91.002  1069.20    111.379 1144.24    157.834 347.822 18.405  357.922 25.420  -10.09985      31.38368 
1 1 1 -8  7  3  o 320.308  11.921  899.279    66.674  830.993    94.128  968.039    94.454  306.688 17.652  331.756 16.306  -25.06793      24.03065 
1 1 1 -8  7  4  o 414.603  13.803  1508.66    99.923  1500.31    141.223 1517.03    141.400 412.349 19.615  414.660 19.530  -2.310303      27.67925 
1 1 1 -8  7  5  o 887.540  25.176  6997.29    390.149 6804.63    551.744 7189.96    551.765 867.121 36.441  892.207 35.418  -25.08582      50.81750 
1 1 1 -8  7  6  o 468.237  14.768  1925.52    120.740 1877.81    170.773 1973.20    170.730 460.947 21.218  472.652 20.687  -11.70523      29.63405 
1 1 1 -8  7  7  o 721.544  21.430  4601.99    269.985 4493.50    381.798 4710.50    381.834 708.308 30.871  725.641 30.136  -17.33264      43.14174 
1 1 1 -8  7  8  o 343.585  11.870  1034.55    71.208  1073.65    100.756 995.534    100.651 349.398 16.515  335.910 17.218  13.48712       23.85863 
1 1 1 -8  7  9  o 354.922  14.483  1105.97    89.757  1155.90    110.081 1006.95    155.040 362.394 17.397  335.412 26.694  26.98196       31.86229 
1 1 1 -8  7  10 o 547.215  18.947  2639.43    181.039 2728.29    221.881 2462.45    313.132 555.135 22.891  521.761 34.567  33.37433       41.45899 
1 1 1 -8  7  11 o 315.354  13.322  872.339    73.354  927.448    90.080  763.869    126.379 324.840 15.882  292.350 24.998  32.48981       29.61635 
1 1 1 -8  7  12 o 352.844  14.793  1093.27    91.138  1087.92    111.825 1103.84    157.283 350.974 18.311  351.576 25.801  -0.6026611     31.63866 
1 1 1 -8  7  13 o 308.655  11.398  834.606    61.429  905.292    71.046  625.242    122.270 321.330 12.663  263.785 26.924  57.54480       29.75303 
1 1 1 -8  7  14 o 774.343  22.083  5302.88    298.577 5418.18    344.830 4957.48    596.826 781.159 25.281  731.073 47.004  50.08673       53.37144 
1 1 1 -8  7  15 o 273.321  11.080  654.334    52.880  661.231    61.215  634.054    104.969 274.610 12.767  266.724 22.757  7.886383       26.09335 
1 1 1 -8  7  16 o 422.855  14.759  1570.16    108.970 1711.32    133.770 1291.70    187.873 440.962 17.374  379.521 28.560  61.44031       33.42957 
1 1 1 -8  7  17 o 293.936  13.270  757.862    68.105  774.435    83.747  725.501    117.026 296.349 16.247  285.182 23.717  11.16653       28.74781 
1 1 1 -8  7  18 o 177.694  10.653  277.494    32.900  266.385    38.192  309.453    64.779  173.845 12.669  186.178 20.254  -12.33295      23.88989 
1 1 1 -8  7  19 o 285.359  11.276  713.371    56.182  735.166    65.032  649.240    111.554 289.534 12.864  269.592 23.948  19.94272       27.18377 
1 1 1 -8  7  20 o 262.497  12.738  604.243    58.383  604.243    58.383  0.0000     0.0000  262.497 12.738  ?       ?       0.000000       12.73788 
1 1 1 -8  7  21 o 356.904  18.479  1125.51    114.761 1125.51    114.761 0.0000     0.0000  356.904 18.479  ?       ?       0.000000       18.47875 
1 1 1 -8  7  22 o 365.367  18.385  1179.36    116.913 1179.36    116.913 0.0000     0.0000  365.367 18.385  ?       ?       0.000000       18.38488 
1 1 1 -8  7  23 f 491.573  22.304  2139.43    191.440 2133.04    270.542 2145.82    270.934 486.293 32.042  487.782 31.988  -1.488586      45.27569 
1 1 1 -8  7  24 o 705.256  28.668  4445.19    353.020 3965.59    498.959 4925.90    499.533 654.803 43.895  734.239 39.105  -79.43597      58.78728 
1 1 1 -8  7  25 o 150.887  14.321  201.725    37.279  159.182    51.293  249.357    54.275  132.169 23.065  167.090 18.937  -34.92113      29.84345 
1 1 1 -8  7  26 o 258.636  15.554  590.299    69.913  492.216    97.953  692.153    99.818  234.192 24.308  279.064 20.632  -44.87149      31.88358 
1 1 1 -8  7  27 o 421.477  19.415  1568.77    142.879 1331.64    201.494 1808.59    202.632 384.105 30.289  449.853 25.907  -65.74835      39.85733 
1 1 1 -8  7  28 o 463.826  31.044  1942.75    249.968 1942.75    249.968 0.0000     0.0000  463.826 31.044  ?       ?       0.000000       31.04423 
1 1 1 -8  7  29 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -8  7  30 o 32.938   15.422  -22.3274   22.209  0.0000     0.0000  -22.3274   22.209  ?       ?       32.938  15.422  0.000000       15.42224 
1 1 1 -8  7  31 o 388.944  28.067  1362.82    189.329 0.0000     0.0000  1362.82    189.329 ?       ?       388.944 28.067  0.000000       28.06697 
1 1 1 -8  7  32 o 514.374  33.718  2412.25    301.156 0.0000     0.0000  2412.25    301.156 ?       ?       514.374 33.718  0.000000       33.71786 
1 1 1 -8  7  33 o 239.287  23.538  514.731    97.071  0.0000     0.0000  514.731    97.071  ?       ?       239.287 23.538  0.000000       23.53764 
1 1 1 -8  7  34 o 347.751  26.464  1090.15    159.484 0.0000     0.0000  1090.15    159.484 ?       ?       347.751 26.464  0.000000       26.46417 
1 1 1 -8  7  35 o 246.128  23.264  545.005    98.794  0.0000     0.0000  545.005    98.794  ?       ?       246.128 23.264  0.000000       23.26409 
1 1 1 -8  7  36 o 317.118  16.944  891.222    93.482  687.153    131.664 1098.67    132.751 274.751 27.829  350.550 21.796  -75.79874      35.34860 
1 1 1 -8  7  37 o 176.794  15.041  277.615    45.991  270.910    63.897  284.823    66.249  173.071 21.616  177.460 21.842  -4.389359      30.72923 
1 1 1 -8  7  38 o 104.445  23.670  101.533    42.169  0.0000     0.0000  101.533    42.169  ?       ?       104.445 23.670  0.000000       23.67026 
1 1 1 -8  7  39 o 331.412  25.936  997.886    148.886 0.0000     0.0000  997.886    148.886 ?       ?       331.412 25.936  0.000000       25.93586 
1 1 1 -8  7  40 o 218.875  22.912  434.784    86.264  0.0000     0.0000  434.784    86.264  ?       ?       218.875 22.912  0.000000       22.91154 
1 1 1 -8  7  41 o 46.980   19.731  3.4825     27.391  0.0000     0.0000  3.4825     27.391  ?       ?       46.980  19.731  0.000000       19.73126 
1 1 1 -8  7  42 o 66.259   21.368  38.621     28.128  38.621     28.128  0.0000     0.0000  66.259  21.368  ?       ?       0.000000       21.36810 
1 1 1 -8  7  43 o 209.294  14.360  389.749    52.159  438.108    74.971  344.383    72.614  220.199 19.707  194.286 21.780  25.91310       29.37247 
1 1 1 -8  7  44 o 189.113  11.726  316.695    38.528  383.062    47.471  188.584    65.954  207.694 13.158  140.741 27.825  66.95323       30.77880 
1 1 1 -8  7  45 o 120.108  9.1011  127.520    18.945  138.330    26.401  116.046    27.201  124.512 12.304  113.554 14.016  10.95830       18.65104 
1 1 1 -8  7  46 o 142.143  9.6056  178.642    23.700  160.240    32.962  198.340    34.102  133.523 14.364  148.999 13.246  -15.47638      19.53941 
1 1 1 -8  7  47 o 148.955  10.077  196.473    26.055  153.211    36.468  241.580    37.238  129.835 16.456  164.501 13.072  -34.66547      21.01612 
1 1 1 -8  7  48 o 274.119  13.362  668.281    63.953  662.103    78.487  680.487    110.319 271.006 16.667  270.565 23.588  0.4412537      28.88199 
1 1 1 -8  7  49 o 208.137  15.476  390.405    55.840  390.405    55.840  0.0000     0.0000  208.137 15.476  ?       ?       0.000000       15.47561 
1 1 1 -8  7  50 o 165.203  14.367  245.981    41.031  245.981    41.031  0.0000     0.0000  165.203 14.367  ?       ?       0.000000       14.36728 
1 1 1 -8  7  51 o 137.878  14.437  172.220    34.241  172.220    34.241  0.0000     0.0000  137.878 14.437  ?       ?       0.000000       14.43683 
1 1 1 -8  7  52 o 100.581  15.812  93.417     26.852  88.122     39.118  98.135     36.927  94.979  23.672  101.044 21.586  -6.064522      32.03599 
1 1 1 -8  7  53 o 102.462  13.036  95.427     22.795  96.942     40.037  94.701     27.728  99.473  23.436  100.995 16.277  -1.521996      28.53404 
1 1 1 -8  7  54 o 116.069  12.553  121.966    25.035  121.877    42.586  122.014    30.948  111.901 22.574  114.916 15.845  -3.015167      27.58035 
1 1 1 -8  7  55 o 17.046   8.1278  -8.7676    6.7133  -5.4972    7.9532  -16.8724   12.520  20.952  9.6043  22.974  10.994  -2.021730      14.59848 
1 1 1 -8  7  56 o 226.919  10.715  459.368    42.454  418.747    59.706  500.908    60.377  213.256 16.154  234.264 14.837  -21.00758      21.93421 
1 1 1 -8  7  57 o 44.491   13.906  17.928     11.992  21.905     15.720  12.392     18.548  49.291  15.983  43.809  16.982  5.481655       23.32018 
1 1 1 -8  7  58 o 182.160  10.627  297.688    33.654  285.463    47.036  310.512    48.174  175.755 15.485  183.553 15.167  -7.797745      21.67540 
1 1 1 -8  7  59 o 82.399   14.645  63.765     20.298  47.991     34.957  71.789     24.932  70.431  23.864  86.554  17.104  -16.12209      29.36042 
1 1 1 -8  7  60 o 69.724   15.473  46.467     18.346  63.683     31.597  37.712     22.533  79.449  22.016  62.474  18.981  16.97572       29.06833 
1 1 1 -8  7  61 o 95.585   13.893  85.192     22.508  55.060     39.108  100.115    27.523  73.986  25.240  102.845 15.835  -28.85904      29.79617 
1 1 1 -8  7  62 o 49.944   13.904  23.647     12.571  12.489     16.753  38.024     19.018  42.228  16.201  62.467  16.987  -20.23912      23.47439 
1 1 1 -8  7  63 o 128.934  12.124  152.557    26.974  132.691    44.233  164.319    34.034  113.299 23.141  132.199 15.010  -18.89957      27.58313 
1 1 1 -8  7  64 o 84.248   13.389  66.777     19.037  61.846     29.503  70.295     24.919  77.432  21.200  84.522  17.463  -7.089188      27.46630 
1 1 1 -8  8  1  o 500.530  15.012  2204.16    131.203 2255.17    185.426 2153.02    185.672 504.418 21.053  492.673 21.584  11.74500       30.15112 
1 1 1 -8  8  2  o 537.289  18.256  2548.87    171.272 2232.52    209.491 3186.53    297.428 500.819 23.956  595.916 28.585  -95.09772      37.29609 
1 1 1 -8  8  3  o 97.577   11.852  84.731     19.779  70.872     23.633  117.135    36.137  88.408  15.894  113.692 18.865  -25.28452      24.66814 
1 1 1 -8  8  4  o 337.226  14.231  999.563    83.793  928.034    102.409 1144.44    145.748 323.753 18.190  358.056 23.442  -34.30386      29.67140 
1 1 1 -8  8  5  o 360.200  13.101  1139.18    82.395  1096.54    116.524 1181.82    116.523 351.790 19.041  365.907 18.238  -14.11731      26.36639 
1 1 1 -8  8  6  o 337.482  12.810  999.732    75.488  1034.46    106.821 965.089    106.690 341.949 17.954  330.095 18.586  11.85446       25.84158 
1 1 1 -8  8  7  o 404.430  15.924  1439.89    112.453 1432.16    137.878 1455.24    194.345 402.482 19.619  402.288 27.839  0.1932678      34.05770 
1 1 1 -8  8  8  o 260.702  11.261  595.831    51.259  569.193    59.272  674.852    102.087 254.242 13.399  275.171 21.416  -20.92928      25.26233 
1 1 1 -8  8  9  o 85.103   9.7187  64.244     14.183  79.545     16.781  25.990     26.534  94.734  10.311  58.294  20.731  36.43974       23.15346 
1 1 1 -8  8  10 o 433.579  14.245  1652.11    107.845 1696.97    124.640 1518.51    215.111 438.987 16.261  409.945 30.266  29.04208       34.35777 
1 1 1 -8  8  11 o 402.619  13.521  1423.67    95.055  1460.50    109.870 1314.05    189.543 407.425 15.444  381.892 28.634  25.53293       32.53324 
1 1 1 -8  8  12 o 410.534  15.374  1482.77    110.201 1570.10    135.228 1310.11    190.145 421.760 18.363  381.256 28.775  40.50406       34.13498 
1 1 1 -8  8  13 o 217.911  11.146  417.330    42.266  475.535    52.468  309.739    71.334  232.388 12.982  185.541 22.478  46.84709       25.95734 
1 1 1 -8  8  14 o 483.493  17.245  2060.83    145.585 2151.89    178.553 1880.23    251.460 492.993 20.743  455.552 31.813  37.44070       37.97786 
1 1 1 -8  8  15 o 335.022  12.038  984.589    70.418  1019.30    81.490  882.234    139.927 340.637 13.701  313.469 25.794  27.16772       29.20672 
1 1 1 -8  8  16 o 499.216  15.895  2194.06    138.555 2188.71    160.106 2210.00    276.502 497.897 18.416  493.707 32.252  4.189087       37.13986 
1 1 1 -8  8  17 o 404.152  15.514  1437.53    109.476 1521.50    134.340 1271.54    188.889 415.076 18.536  375.326 29.049  39.75024       34.45898 
1 1 1 -8  8  18 o 436.491  15.682  1677.23    119.517 1820.11    146.653 1394.64    206.237 453.969 18.501  392.545 30.325  61.42380       35.52291 
1 1 1 -8  8  19 o 376.948  15.306  1250.48    100.743 1283.16    123.659 1185.97    173.725 381.123 18.582  362.879 27.626  18.24417       33.29381 
1 1 1 -8  8  20 o 228.047  12.554  457.879    49.796  457.982    61.490  457.682    84.879  227.561 15.569  226.115 21.768  1.446915       26.76222 
1 1 1 -8  8  21 o 249.836  13.417  549.950    58.317  534.377    71.849  580.018    99.837  245.613 16.856  254.490 22.706  -8.877045      28.27858 
1 1 1 -8  8  22 f 229.130  16.984  465.564    67.466  465.564    67.466  0.0000     0.0000  229.130 16.984  ?       ?       0.000000       16.98417 
1 1 1 -8  8  23 o 187.368  22.287  316.212    71.484  0.0000     0.0000  316.212    71.484  ?       ?       187.368 22.287  0.000000       22.28715 
1 1 1 -8  8  24 o 65.276   24.058  30.414     36.139  0.0000     0.0000  30.414     36.139  ?       ?       65.276  24.058  0.000000       24.05844 
1 1 1 -8  8  25 o 289.014  24.829  751.583    124.082 0.0000     0.0000  751.583    124.082 ?       ?       289.014 24.829  0.000000       24.82938 
1 1 1 -8  8  26 f 495.248  32.960  2241.61    283.392 0.0000     0.0000  2241.61    283.392 ?       ?       495.248 32.960  0.000000       32.96025 
1 1 1 -8  8  27 o 292.761  14.927  756.966    76.052  369.117    105.668 1173.79    109.544 199.550 31.361  364.482 17.213  -164.9320      35.77458 
1 1 1 -8  8  28 o 239.544  16.550  509.066    68.797  537.717    94.875  477.295    99.908  244.626 22.463  229.448 25.361  15.17792       33.87908 
1 1 1 -8  8  29 o 354.199  18.167  1113.86    111.975 1024.62    157.526 1205.01    159.201 336.263 27.058  365.734 25.081  -29.47092      36.89475 
1 1 1 -8  8  30 o 88.807   16.911  71.995     25.265  61.668     33.750  85.158     38.105  81.861  22.779  95.745  23.066  -13.88425      32.41770 
1 1 1 -8  8  31 f 234.098  15.531  485.983    63.121  439.098    88.387  534.783    90.174  220.294 23.334  243.984 21.383  -23.68956      31.64940 
1 1 1 -8  8  32 o 262.726  15.887  612.345    72.539  527.380    101.789 700.022    103.400 241.055 24.525  279.237 21.370  -38.18227      32.52911 
1 1 1 -8  8  33 o 242.048  15.723  520.239    66.089  482.894    92.626  558.967    94.325  230.837 23.299  249.012 21.917  -18.17546      31.98811 
1 1 1 -8  8  34 o 140.849  14.735  177.132    35.702  145.817    49.086  212.303    52.021  125.514 23.254  153.052 19.940  -27.53755      30.63242 
1 1 1 -8  8  35 f 106.864  15.407  103.095    27.917  75.901     37.752  135.911    41.472  90.115  23.683  121.793 20.210  -31.67848      31.13375 
1 1 1 -8  8  36 o 289.955  16.094  748.259    81.163  577.772    114.023 923.360    115.556 250.531 26.466  320.229 20.779  -69.69824      33.64848 
1 1 1 -8  8  37 o 70.693   17.429  46.261     21.377  39.524     28.070  55.564     32.983  66.780  21.326  77.647  22.818  -10.86659      31.23258 
1 1 1 -8  8  38 o 108.124  14.881  105.552    27.350  57.929     36.924  163.437    40.709  79.451  24.330  134.190 17.815  -54.73895      30.15479 
1 1 1 -8  8  39 o 88.909   16.784  72.707     25.101  75.469     33.612  69.225     37.742  89.619  21.709  85.846  24.159  3.772545       32.48024 
1 1 1 -8  8  40 o 165.663  14.747  245.777    42.213  196.841    58.541  298.780    60.925  145.070 23.947  181.159 19.572  -36.08971      30.92743 
1 1 1 -8  8  41 o 144.455  21.813  193.608    53.304  193.608    53.304  0.0000     0.0000  144.455 21.813  ?       ?       0.000000       21.81279 
1 1 1 -8  8  42 o 128.708  22.509  155.440    48.744  155.440    48.744  0.0000     0.0000  128.708 22.509  ?       ?       0.000000       22.50913 
1 1 1 -8  8  43 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -8  8  44 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -8  8  45 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -8  8  46 o 353.472  18.009  1138.63    110.780 1138.63    110.780 0.0000     0.0000  353.472 18.009  ?       ?       0.000000       18.00886 
1 1 1 -8  8  47 o 332.038  16.198  997.278    93.909  1250.56    133.818 751.501    131.821 367.038 20.967  278.347 27.482  88.69116       34.56692 
1 1 1 -8  8  48 o 182.611  13.993  301.128    44.278  378.299    64.316  231.596    61.050  202.461 18.394  155.532 23.189  46.92938       29.59858 
1 1 1 -8  8  49 o 187.492  12.616  315.943    41.061  462.397    60.100  187.741    56.230  225.501 15.355  138.940 24.049  86.56076       28.53301 
1 1 1 -8  8  50 o 67.515   11.937  41.879     13.558  40.847     18.822  42.993     19.546  65.663  16.450  67.318  16.708  -1.655128      23.44690 
1 1 1 -8  8  51 o 95.213   12.388  82.588     20.107  70.746     23.427  115.717    39.184  86.803  16.048  109.202 21.315  -22.39895      26.68083 
1 1 1 -8  8  52 o 63.709   14.639  38.276     15.943  26.457     18.179  77.659     33.184  53.756  17.162  88.755  21.614  -34.99900      27.59867 
1 1 1 -8  8  53 o 57.304   18.433  30.428     20.942  18.292     27.794  46.367     31.853  52.677  20.684  69.508  22.762  -16.83105      30.75565 
1 1 1 -8  8  54 o 58.567   11.632  31.837     11.475  48.213     16.139  15.096     16.319  71.885  13.350  44.099  16.180  27.78628       20.97634 
1 1 1 -8  8  55 o 88.237   10.325  70.531     15.606  82.491     21.720  57.764     22.440  94.363  13.573  77.426  17.059  16.93774       21.79966 
1 1 1 -8  8  56 o 38.494   12.789  12.921     10.042  15.347     13.696  10.101     14.769  42.676  14.919  39.294  15.175  3.382053       21.28075 
1 1 1 -8  8  57 o 132.764  11.408  160.142    26.188  150.792    42.889  165.700    33.068  123.639 20.591  133.553 14.409  -9.913704      25.13150 
1 1 1 -8  8  58 o 76.054   13.885  54.584     17.759  58.397     27.484  51.850     23.269  76.171  20.298  72.423  18.372  3.747955       27.37797 
1 1 1 -8  8  59 o 130.415  11.243  154.990    25.352  118.121    41.256  177.360    32.136  107.019 22.777  138.346 13.474  -31.32745      26.46416 
1 1 1 -8  8  60 o 71.217   13.350  48.016     15.990  37.023     24.331  56.373     21.215  61.359  19.882  75.969  16.469  -14.61031      25.81716 
1 1 1 -8  8  61 o 78.982   17.356  61.773     23.282  0.0000     0.0000  61.773     23.282  ?       ?       78.982  17.356  0.000000       17.35622 
1 1 1 -8  9  1  o 338.707  14.738  1011.36    87.164  931.511    106.820 1170.45    150.783 323.500 18.994  360.737 24.077  -37.23596      30.66731 
1 1 1 -8  9  2  o 356.799  15.321  1123.05    95.447  1046.42    117.066 1274.98    164.845 342.740 19.643  376.072 25.250  -33.33212      31.99146 
1 1 1 -8  9  3  o 624.925  22.328  3484.59    243.639 3366.13    298.511 3720.98    421.670 610.450 28.006  631.634 38.416  -21.18378      47.54068 
1 1 1 -8  9  4  o 337.205  18.010  1009.57    105.656 1009.57    105.656 0.0000     0.0000  337.205 18.010  ?       ?       0.000000       18.00993 
1 1 1 -8  9  5  o 346.318  18.499  1065.60    111.459 1065.60    111.459 0.0000     0.0000  346.318 18.499  ?       ?       0.000000       18.49909 
1 1 1 -8  9  6  o 469.224  21.174  1959.64    173.478 1959.64    173.478 0.0000     0.0000  469.224 21.174  ?       ?       0.000000       21.17386 
1 1 1 -8  9  7  f 87.406   18.843  70.252     27.910  70.252     27.910  0.0000     0.0000  87.406  18.843  ?       ?       0.000000       18.84252 
1 1 1 -8  9  8  o 210.960  12.394  392.444    45.455  400.729    56.384  377.063    76.822  212.638 15.288  204.633 21.838  8.005646       26.65749 
1 1 1 -8  9  9  o 106.858  11.735  101.468    21.534  123.711    28.423  71.493     32.995  117.713 14.110  87.897  21.643  29.81589       25.83577 
1 1 1 -8  9  10 o 201.476  11.563  357.594    40.508  402.249    50.443  276.508    67.974  213.372 13.610  174.624 22.841  38.74767       26.58846 
1 1 1 -8  9  11 o 345.720  13.734  1052.03    82.905  1155.71    102.007 850.281    142.296 361.793 16.148  306.240 26.883  55.55276       31.36022 
1 1 1 -8  9  12 o 413.893  15.315  1510.90    110.676 1624.83    136.017 1287.66    190.396 428.324 18.187  376.088 29.223  52.23618       34.42045 
1 1 1 -8  9  13 o 426.182  15.808  1603.12    117.637 1668.17    144.437 1474.96    202.742 433.670 19.075  402.713 29.027  30.95737       34.73367 
1 1 1 -8  9  14 o 333.743  18.434  989.922    107.004 989.922    107.004 0.0000     0.0000  333.743 18.434  ?       ?       0.000000       18.43369 
1 1 1 -8  9  15 o 236.999  18.722  501.003    76.845  300.220    111.054 685.453    106.442 177.181 37.087  276.325 22.250  -99.14462      43.24917 
1 1 1 -8  9  16 o ?        ?       -101.1478  3.5760  -356.5424  17.468  -89.9767   3.6533  ?       ?       ?       ?       0.000000       ?        
1 1 1 -8  9  17 o 355.473  13.601  1112.54    84.422  1194.24    104.213 956.550    143.990 367.639 16.234  325.257 25.560  42.38144       30.27966 
1 1 1 -8  9  18 o 520.376  17.273  2397.00    156.947 2547.57    192.788 2101.10    270.257 534.903 20.642  477.947 32.579  56.95667       38.56731 
1 1 1 -8  9  19 o 189.111  10.761  314.939    35.387  313.237    41.666  319.346    67.033  188.270 12.750  188.277 20.734  -0.6683350E-02 24.34065 
1 1 1 -8  9  20 o 336.215  13.280  995.328    77.963  966.557    90.265  1079.82    154.689 330.780 15.629  345.267 25.847  -14.48691      30.20424 
1 1 1 -8  9  21 o 55.128   13.690  27.829     13.117  22.900     16.296  36.900     22.105  51.273  16.236  63.854  18.656  -12.58165      24.73187 
1 1 1 -8  9  22 o 155.979  15.790  217.212    42.412  217.212    42.412  0.0000     0.0000  155.979 15.790  ?       ?       0.000000       15.79015 
1 1 1 -8  9  23 o 155.195  14.951  214.635    40.013  214.635    40.013  0.0000     0.0000  155.195 14.951  ?       ?       0.000000       14.95101 
1 1 1 -8  9  24 o 276.476  11.400  672.033    55.033  627.125    63.120  814.366    112.372 266.345 13.618  300.957 21.526  -34.61206      25.47220 
1 1 1 -8  9  25 o 42.856   13.028  16.259     10.614  19.198     11.362  -3.8931    29.752  46.175  13.342  45.952  19.956  0.2232552      24.00473 
1 1 1 -8  9  26 o 187.543  13.060  311.562    42.500  311.501    51.226  311.698    76.131  186.893 15.847  184.422 24.228  2.470688       28.95056 
1 1 1 -8  9  27 o 146.243  15.120  191.236    38.052  186.490    52.149  196.639    55.649  142.680 21.609  146.309 22.504  -3.628784      31.19906 
1 1 1 -8  9  28 o 113.513  15.935  116.421    30.714  120.364    41.336  111.562    45.892  114.013 21.554  108.919 24.699  5.094109       32.78159 
1 1 1 -8  9  29 o 287.205  16.021  734.668    80.021  579.004    112.190 895.875    114.169 250.755 26.002  315.145 20.866  -64.38992      33.33885 
1 1 1 -8  9  30 o 195.427  14.943  340.547    50.604  299.191    70.506  384.484    72.672  180.552 22.878  205.910 20.485  -25.35841      30.70877 
1 1 1 -8  9  31 o 126.851  14.980  144.702    32.540  124.238    44.563  168.076    47.625  115.206 22.959  135.160 20.851  -19.95401      31.01433 
1 1 1 -8  9  32 o 190.489  14.693  323.979    48.494  261.407    67.509  390.688    69.705  167.950 23.678  207.646 19.452  -39.69592      30.64356 
1 1 1 -8  9  33 o 64.808   20.710  37.430     26.469  37.430     26.469  0.0000     0.0000  64.808  20.710  ?       ?       0.000000       20.71042 
1 1 1 -8  9  34 o 162.301  21.477  242.907    59.368  242.907    59.368  0.0000     0.0000  162.301 21.477  ?       ?       0.000000       21.47683 
1 1 1 -8  9  35 o 175.776  21.904  285.556    65.768  285.556    65.768  0.0000     0.0000  175.776 21.904  ?       ?       0.000000       21.90382 
1 1 1 -8  9  36 o 269.167  24.023  673.192    111.718 673.192    111.718 0.0000     0.0000  269.167 24.023  ?       ?       0.000000       24.02302 
1 1 1 -8  9  37 o 192.472  22.019  343.656    72.669  343.656    72.669  0.0000     0.0000  192.472 22.019  ?       ?       0.000000       22.01930 
1 1 1 -8  9  38 o 130.201  21.806  159.387    47.821  159.387    47.821  0.0000     0.0000  130.201 21.806  ?       ?       0.000000       21.80585 
1 1 1 -8  9  39 o 84.222   22.073  67.882     32.853  67.882     32.853  0.0000     0.0000  84.222  22.073  ?       ?       0.000000       22.07263 
1 1 1 -8  9  40 o 172.473  15.278  269.306    45.533  245.669    63.452  294.400    65.379  160.997 23.245  177.400 21.549  -16.40359      31.69705 
1 1 1 -8  9  41 o 156.252  14.794  221.238    39.881  151.485    54.924  299.029    58.003  124.192 26.155  180.010 18.728  -55.81838      32.16862 
1 1 1 -8  9  42 o 270.596  16.069  665.146    75.581  499.045    105.978 837.081    107.823 226.025 27.414  299.905 20.717  -73.87933      34.36188 
1 1 1 -8  9  43 o 168.024  15.565  257.584    45.145  244.112    62.895  271.902    64.840  159.450 23.277  168.854 22.556  -9.404327      32.41264 
1 1 1 -8  9  44 o 308.304  17.019  871.506    91.264  666.304    128.253 1082.01    129.898 258.124 28.955  338.177 22.120  -80.05338      36.43791 
1 1 1 -8  9  45 o 163.151  9.4041  236.725    26.676  253.208    47.460  229.112    32.253  165.633 16.635  159.719 11.645  5.913452       20.30627 
1 1 1 -8  9  46 o 145.831  10.997  190.845    27.795  147.979    48.269  212.111    33.998  122.559 23.409  153.049 12.841  -30.48991      26.69995 
1 1 1 -8  9  47 o 152.468  9.5570  207.387    25.314  187.786    35.349  228.020    36.268  143.148 14.335  158.389 13.235  -15.24139      19.51077 
1 1 1 -8  9  48 o 107.649  10.248  104.272    19.030  68.186     30.021  128.513    24.606  83.155  20.745  118.986 12.008  -35.83163      23.96927 
1 1 1 -8  9  49 o 238.824  11.729  513.256    48.911  503.696    83.059  518.330    60.516  228.463 21.058  237.639 14.656  -9.175873      25.65648 
1 1 1 -8  9  50 o 71.408   12.287  47.264     14.767  40.117     22.605  52.585     19.505  64.302  18.889  74.296  15.535  -9.994347      24.45641 
1 1 1 -8  9  51 o 140.867  14.823  184.386    35.912  214.227    50.367  153.527    51.219  148.539 19.922  122.025 24.883  26.51402       31.87503 
1 1 1 -8  9  52 o 64.083   19.180  40.209     23.135  40.209     23.135  0.0000     0.0000  64.083  19.180  ?       ?       0.000000       19.17963 
1 1 1 -8  9  53 o 82.394   20.654  68.577     29.657  68.577     29.657  0.0000     0.0000  82.394  20.654  ?       ?       0.000000       20.65375 
1 1 1 -8  9  54 o 8.7608   4.4269  -10.9986   3.2663  -10.6355   3.2956  -31.1623   24.560  8.9493  4.5129  31.812  15.270  -22.86233      15.92249 
1 1 1 -8  9  55 o 148.582  11.290  201.314    29.070  170.291    47.666  219.685    36.681  129.396 21.877  153.659 13.820  -24.26291      25.87647 
1 1 1 -8  9  56 o 118.969  9.7172  128.132    20.009  125.934    27.518  130.596    29.146  115.852 13.880  117.643 14.496  -1.790840      20.06938 
1 1 1 -8  9  57 o 15.151   7.2996  -8.6017    5.7362  -18.8250   7.2407  8.6290     9.4001  14.304  7.1374  33.493  12.281  -19.18979      14.20459 
1 1 1 -8  9  58 o 29.461   11.724  4.6484     9.0419  -2.8108    11.281  18.049     15.121  27.060  12.000  44.972  15.678  -17.91159      19.74370 
1 1 1 -8  10 1  f 97.934   11.383  85.554     19.102  77.751     27.295  93.045     26.742  91.972  17.638  101.303 15.621  -9.330811      23.56082 
1 1 1 -8  10 2  o 392.057  13.802  1358.60    94.483  1354.69    133.656 1362.49    133.583 388.536 19.766  389.693 19.696  -1.156586      27.90418 
1 1 1 -8  10 3  f 341.618  15.101  1033.88    90.073  985.474    110.553 1129.48    155.351 331.539 19.179  351.574 25.480  -20.03522      31.89121 
1 1 1 -8  10 4  o 285.134  11.947  716.306    59.481  711.859    68.891  729.328    117.895 283.791 13.903  282.889 24.098  0.9026489      27.82066 
1 1 1 -8  10 5  o 170.946  11.218  258.258    33.298  244.015    38.870  297.530    64.544  165.677 13.555  181.030 20.797  -15.35286      24.82456 
1 1 1 -8  10 6  o 186.047  10.833  305.464    35.038  294.536    40.898  335.608    67.926  182.259 12.936  192.488 20.527  -10.22855      24.26275 
1 1 1 -8  10 7  o 421.556  16.825  1579.56    123.846 1579.56    123.846 0.0000     0.0000  421.556 16.825  ?       ?       0.000000       16.82536 
1 1 1 -8  10 8  o 425.883  16.784  1612.04    124.807 1612.04    124.807 0.0000     0.0000  425.883 16.784  ?       ?       0.000000       16.78369 
1 1 1 -8  10 9  o 151.537  12.283  203.711    32.220  203.711    32.220  0.0000     0.0000  151.537 12.283  ?       ?       0.000000       12.28282 
1 1 1 -8  10 10 o 288.930  14.119  738.192    71.231  738.192    71.231  0.0000     0.0000  288.930 14.119  ?       ?       0.000000       14.11923 
1 1 1 -8  10 11 o 270.848  11.706  646.153    55.361  623.245    64.174  712.795    109.455 265.173 13.909  280.326 22.553  -15.15277      26.49685 
1 1 1 -8  10 12 o 59.107   13.328  32.059     13.427  30.951     16.517  34.218     23.057  58.124  15.842  61.946  19.269  -3.822411      24.94464 
1 1 1 -8  10 13 o 317.650  11.971  889.288    66.395  922.382    76.977  793.126    131.217 323.051 13.647  293.991 25.824  29.05981       29.20768 
1 1 1 -8  10 14 o 223.344  10.967  439.013    42.767  436.244    49.736  446.871    83.776  221.938 12.890  221.712 21.928  0.2257843      25.43574 
1 1 1 -8  10 15 o 38.345   12.700  12.343     9.9053  9.2977     12.273  18.035     16.777  37.336  13.969  47.469  16.516  -10.13266      21.63156 
1 1 1 -8  10 16 o 171.850  10.222  260.601    30.535  277.049    35.534  214.169    59.702  176.952 11.564  152.270 23.187  24.68184       25.91112 
1 1 1 -8  10 17 o 222.968  10.626  437.520    41.369  450.904    48.082  399.378    81.170  225.737 12.245  209.030 22.599  16.70638       25.70316 
1 1 1 -8  10 18 o 392.571  13.564  1363.52    92.973  1402.15    107.532 1249.16    185.036 397.288 15.501  366.102 29.189  31.18536       33.04955 
1 1 1 -8  10 19 o 239.932  13.109  510.521    54.710  492.901    67.756  543.531    92.741  234.628 16.647  244.245 21.982  -9.616730      27.57378 
1 1 1 -8  10 20 o 319.139  14.504  903.682    80.824  886.667    99.449  936.784    138.713 314.190 18.206  319.028 25.104  -4.837921      31.01106 
1 1 1 -8  10 21 o 90.163   16.983  74.835     25.756  46.919     41.371  92.500     32.911  74.486  25.936  99.814  19.583  -25.32759      32.49873 
1 1 1 -8  10 22 o 272.311  13.521  657.181    64.288  657.181    64.288  0.0000     0.0000  272.311 13.521  ?       ?       0.000000       13.52083 
1 1 1 -8  10 23 o 164.204  12.373  239.789    35.214  239.789    35.214  0.0000     0.0000  164.204 12.373  ?       ?       0.000000       12.37291 
1 1 1 -8  10 24 o 199.066  12.443  352.046    43.032  352.046    43.032  0.0000     0.0000  199.066 12.443  ?       ?       0.000000       12.44289 
1 1 1 -8  10 25 o 165.031  14.552  244.214    41.503  244.214    41.503  0.0000     0.0000  165.031 14.552  ?       ?       0.000000       14.55194 
1 1 1 -8  10 26 o 47.157   14.195  19.988     12.646  19.988     12.646  0.0000     0.0000  47.157  14.195  ?       ?       0.000000       14.19527 
1 1 1 -8  10 27 o 199.916  12.560  355.809    43.621  355.809    43.621  0.0000     0.0000  199.916 12.560  ?       ?       0.000000       12.56031 
1 1 1 -8  10 28 o 148.190  12.009  195.862    30.806  195.862    30.806  0.0000     0.0000  148.190 12.009  ?       ?       0.000000       12.00883 
1 1 1 -8  10 29 o 105.237  14.975  100.909    26.741  100.909    26.741  0.0000     0.0000  105.237 14.975  ?       ?       0.000000       14.97536 
1 1 1 -8  10 30 o 166.133  15.060  249.166    43.212  249.166    43.212  0.0000     0.0000  166.133 15.060  ?       ?       0.000000       15.06024 
1 1 1 -8  10 31 o 227.465  12.079  460.969    47.801  389.676    57.858  614.276    84.843  207.449 16.099  259.081 18.885  -51.63132      24.81580 
1 1 1 -8  10 32 o 161.781  14.803  236.678    41.353  193.868    56.564  285.829    60.608  142.563 23.545  175.481 20.146  -32.91840      30.98748 
1 1 1 -8  10 33 o 130.708  15.267  155.691    34.187  143.665    46.724  169.546    50.152  122.520 22.676  133.520 22.298  -11.00082      31.80278 
1 1 1 -8  10 34 o 48.913   17.008  19.868     17.789  14.393     22.573  28.841     28.898  48.145  18.714  59.623  21.583  -11.47749      28.56656 
1 1 1 -8  10 35 o 14.702   7.3947  -26.0656   8.5383  -30.6434   9.3691  -3.6358    20.739  14.987  7.5641  37.593  16.486  -22.60614      18.13850 
1 1 1 -8  10 36 o 209.980  15.135  400.633    55.119  325.103    76.778  480.956    79.176  183.276 24.614  226.814 20.204  -43.53831      31.84430 
1 1 1 -8  10 37 o 46.160   16.870  16.361     17.715  16.188     22.317  16.657     29.128  48.816  18.706  53.077  21.068  -4.261189      28.17346 
1 1 1 -8  10 38 o 206.505  15.129  389.046    54.170  313.893    75.296  469.676    77.991  179.112 24.736  223.354 20.217  -44.24226      31.94694 
1 1 1 -8  10 39 o 44.443   16.762  14.032     17.743  22.341     22.032  -1.3010    29.928  52.290  18.858  45.822  19.957  6.467529       27.45730 
1 1 1 -8  10 40 o 127.227  15.117  149.393    32.926  103.477    44.633  204.216    48.770  100.868 25.367  146.569 19.544  -45.70057      32.02216 
1 1 1 -8  10 41 o 42.061   16.514  10.607     17.716  7.2693     22.453  16.113     28.839  43.751  18.078  52.185  20.881  -8.434803      27.61981 
1 1 1 -8  10 42 o 146.773  15.168  199.272    38.311  149.688    52.645  255.096    55.859  120.825 25.742  163.036 20.044  -42.21139      32.62531 
1 1 1 -8  10 43 o 64.853   18.381  40.763     21.768  22.566     28.363  66.842     33.954  54.873  21.073  81.315  22.926  -26.44231      31.13955 
1 1 1 -8  10 44 o 88.719   11.729  72.104     17.723  51.818     20.154  141.311    37.226  73.477  16.150  121.476 18.103  -47.99890      24.25992 
1 1 1 -8  10 45 o 44.176   14.318  17.612     12.618  9.5713     13.935  54.210     29.729  38.220  14.746  73.436  21.687  -35.21548      26.22552 
1 1 1 -8  10 46 o 86.418   14.418  70.359     20.989  48.818     25.489  115.738    36.995  69.998  19.908  107.996 20.366  -37.99747      28.47980 
1 1 1 -8  10 47 o 89.124   14.639  75.084     21.989  57.001     26.909  111.435    38.151  75.248  20.100  104.923 21.546  -29.67574      29.46549 
1 1 1 -8  10 48 o 75.837   12.769  53.847     16.308  50.354     25.224  56.356     21.377  70.759  19.693  76.061  16.565  -5.301704      25.73369 
1 1 1 -8  10 49 o 76.782   11.088  54.388     14.435  46.285     19.705  63.772     21.205  68.678  16.613  81.398  15.486  -12.71926      22.71136 
1 1 1 -8  10 50 o 71.980   11.450  48.160     13.909  38.599     18.375  60.989     21.285  62.619  16.554  79.222  15.939  -16.60247      22.98035 
1 1 1 -8  10 51 o 28.705   11.300  4.6584     8.3166  7.5808     10.106  -1.4730    14.638  33.137  12.614  31.735  13.885  1.401739       18.75927 
1 1 1 -8  10 52 o 59.156   14.715  34.122     15.137  63.342     27.471  21.382     18.139  78.293  20.017  48.687  17.159  29.60683       26.36513 
1 1 1 -8  10 53 o 63.288   23.641  39.430     35.125  0.0000     0.0000  39.430     35.125  ?       ?       63.288  23.641  0.000000       23.64084 
1 1 1 -8  10 54 o 45.072   15.271  18.725     14.314  14.392     16.094  35.119     31.308  42.475  15.976  60.096  22.345  -17.62073      27.46867 
1 1 1 -8  11 1  o 169.366  15.336  258.974    44.860  216.978    64.478  298.372    62.453  150.635 25.419  179.793 20.246  -29.15831      32.49696 
1 1 1 -8  11 2  o 126.006  12.222  142.173    26.552  134.559    33.049  156.036    44.591  121.483 15.967  129.364 20.419  -7.880341      25.92055 
1 1 1 -8  11 3  o 193.878  12.358  334.988    41.616  332.027    51.452  340.591    70.770  191.911 15.486  191.651 21.520  0.2600098      26.51323 
1 1 1 -8  11 4  o 285.102  11.416  719.818    56.830  725.208    65.966  704.300    111.921 285.474 13.234  274.940 23.541  10.53412       27.00567 
1 1 1 -8  11 5  f 247.419  11.420  542.104    49.336  517.650    57.173  613.414    97.631  240.680 13.661  257.570 21.917  -16.89017      25.82582 
1 1 1 -8  11 6  o 183.183  10.357  297.323    32.992  293.387    38.387  308.448    64.539  181.452 12.187  182.767 20.582  -1.314499      23.91942 
1 1 1 -8  11 7  o 294.754  12.290  771.103    63.250  703.924    73.171  969.681    125.802 280.126 15.014  323.811 22.388  -43.68558      26.95613 
1 1 1 -8  11 8  o 179.771  12.080  287.913    37.699  266.762    46.380  329.092    64.716  171.851 15.628  189.164 19.891  -17.31339      25.29595 
1 1 1 -8  11 9  o 250.778  15.878  566.457    69.167  448.822    97.765  684.342    97.869  217.343 26.297  272.893 20.693  -55.55078      33.46244 
1 1 1 -8  11 10 o 232.980  15.585  488.732    63.034  447.430    89.140  530.042    89.147  218.563 23.739  239.439 21.554  -20.87601      32.06461 
1 1 1 -8  11 11 o 209.261  14.984  393.842    54.389  393.842    54.389  0.0000     0.0000  209.261 14.984  ?       ?       0.000000       14.98450 
1 1 1 -8  11 12 f 276.617  24.203  717.013    115.722 717.013    115.722 0.0000     0.0000  276.617 24.203  ?       ?       0.000000       24.20292 
1 1 1 -8  11 13 o 101.662  20.820  97.788     35.715  97.788     35.715  0.0000     0.0000  101.662 20.820  ?       ?       0.000000       20.82033 
1 1 1 -8  11 14 o 70.753   20.156  47.042     26.106  47.042     26.106  0.0000     0.0000  70.753  20.156  ?       ?       0.000000       20.15642 
1 1 1 -8  11 15 o 143.075  11.687  182.784    28.942  169.394    35.610  208.845    49.678  136.650 15.181  150.249 19.389  -13.59955      24.62485 
1 1 1 -8  11 16 o 48.536   13.317  21.678     11.626  19.652     14.991  24.736     18.417  47.577  15.617  53.020  17.305  -5.442577      23.30984 
1 1 1 -8  11 17 o 126.761  11.666  143.809    25.531  141.030    31.654  148.981    43.187  124.588 14.843  126.077 20.307  -1.489418      25.15376 
1 1 1 -8  11 18 f 149.190  11.696  198.868    30.222  183.553    37.206  228.574    51.818  142.164 15.225  157.098 19.297  -14.93346      24.57983 
1 1 1 -8  11 19 o 351.437  15.397  1111.91    94.479  1082.93    115.811 1169.58    163.368 343.330 19.398  348.874 27.030  -5.544098      33.26973 
1 1 1 -8  11 20 o 180.277  12.279  290.766    38.421  268.980    47.247  333.298    66.016  171.950 15.917  189.297 20.289  -17.34705      25.78765 
1 1 1 -8  11 21 o 207.383  13.359  386.252    48.115  386.252    48.115  0.0000     0.0000  207.383 13.359  ?       ?       0.000000       13.35867 
1 1 1 -8  11 22 o 137.472  10.930  168.814    26.019  168.814    26.019  0.0000     0.0000  137.472 10.930  ?       ?       0.000000       10.92980 
1 1 1 -8  11 23 o 147.999  12.120  196.582    31.046  196.582    31.046  0.0000     0.0000  147.999 12.120  ?       ?       0.000000       12.12005 
1 1 1 -8  11 24 o 194.308  12.162  338.273    41.053  297.207    49.608  427.516    73.129  180.440 15.908  214.249 19.771  -33.80893      25.37682 
1 1 1 -8  11 25 o 136.357  12.096  167.280    28.501  146.459    34.065  215.860    52.034  126.192 15.807  151.378 20.190  -25.18568      25.64134 
1 1 1 -8  11 26 o 88.948   13.654  72.660     20.529  77.066     24.090  60.973     39.234  90.978  15.734  79.301  25.201  11.67738       29.70946 
1 1 1 -8  11 27 o 119.104  12.359  128.310    25.329  123.439    29.966  140.499    47.403  115.790 15.188  119.739 23.512  -3.948997      27.99062 
1 1 1 -8  11 28 o 87.324   11.314  69.127     16.846  62.521     18.589  99.489     39.850  82.374  13.383  100.340 23.207  -17.96633      26.78969 
1 1 1 -8  11 29 o 361.717  13.501  1180.58    85.268  1104.68    98.150  1414.13    172.177 347.448 16.178  378.685 26.201  -31.23657      30.79321 
1 1 1 -8  11 30 o 76.236   11.812  53.215     15.214  60.405     16.599  15.427     38.052  81.246  12.067  57.034  23.548  24.21186       26.46025 
1 1 1 -8  11 31 o 161.091  15.032  238.541    41.793  200.681    57.313  281.531    61.073  142.392 23.899  171.360 20.841  -28.96782      31.70927 
1 1 1 -8  11 32 o 176.742  14.916  287.088    45.602  225.809    63.239  353.471    65.820  150.066 25.015  192.687 19.847  -42.62103      31.93225 
1 1 1 -8  11 33 o 185.571  15.077  317.285    48.429  261.124    67.182  378.038    69.875  161.497 24.602  198.465 20.457  -36.96790      31.99607 
1 1 1 -8  11 34 o 180.238  11.968  294.022    37.450  243.171    44.982  408.890    67.607  161.489 16.170  207.511 18.865  -46.02266      24.84680 
1 1 1 -8  11 35 o 36.375   12.373  11.214     9.3970  9.7512     9.9468  23.357     28.661  35.282  12.677  55.324  21.199  -20.04183      24.70004 
1 1 1 -8  11 36 o 98.285   10.142  87.337     17.155  77.594     18.976  130.910    40.131  91.904  12.121  115.195 20.713  -23.29124      23.99938 
1 1 1 -8  11 37 o 52.707   15.723  26.309     15.566  10.294     18.912  59.949     27.410  42.428  16.933  77.462  20.094  -35.03424      26.27728 
1 1 1 -8  11 38 o 31.545   13.027  3.3294     11.648  5.0686     12.883  -4.4586    27.261  34.024  13.834  41.984  18.635  -7.960102      23.20864 
1 1 1 -8  11 39 o 28.564   11.984  1.7117     10.086  1.7117     10.086  0.0000     0.0000  28.564  11.984  ?       ?       0.000000       11.98373 
1 1 1 -8  11 40 o 39.065   15.056  10.362     14.515  21.002     16.526  -25.5570   30.363  48.251  16.408  37.950  17.853  10.30089       24.24761 
1 1 1 -8  11 41 o 200.707  14.047  374.668    48.919  284.827    66.612  479.845    72.074  165.994 23.651  222.093 18.761  -56.09918      30.18896 
1 1 1 -8  11 42 o 61.088   14.848  36.167     15.683  37.673     17.616  30.409     34.436  61.996  16.122  59.758  23.146  2.237106       28.20756 
1 1 1 -8  11 43 f 66.121   14.268  42.114     15.990  27.031     18.478  87.078     31.904  53.196  17.332  92.276  20.348  -39.07948      26.72932 
1 1 1 -8  11 44 o 107.521  9.7274  105.032    18.064  94.802     19.952  151.551    42.547  101.338 11.478  121.913 20.729  -20.57487      23.69521 
1 1 1 -8  11 45 o 98.615   9.7427  88.598     16.557  75.243     18.146  154.979    40.455  89.909  11.847  124.196 19.280  -34.28683      22.62929 
1 1 1 -8  11 46 o 88.428   10.483  71.979     15.871  60.154     17.347  132.724    39.316  79.690  12.908  113.430 20.610  -33.73993      24.31880 
1 1 1 -8  11 47 o 103.439  10.311  98.201     18.375  88.045     20.537  138.958    41.141  96.840  12.433  115.226 21.231  -18.38618      24.60320 
1 1 1 -8  11 48 o 34.437   11.690  10.377     8.3884  10.104     8.7357  13.606     30.048  34.345  11.920  49.369  20.697  -15.02326      23.88408 
1 1 1 -8  11 49 o 27.514   10.816  4.4313     7.6093  3.8622     7.8708  12.569     29.763  27.289  10.913  48.587  20.496  -21.29759      23.21965 
1 1 1 -8  11 50 o 31.060   12.486  5.1557     10.364  5.1312     11.039  5.3375     30.094  31.709  12.837  45.748  19.966  -14.03976      23.73661 
1 1 1 -8  12 1  o 104.996  10.579  99.356     19.131  98.234     22.506  102.279    36.323  103.695 12.695  102.214 21.053  1.480774       24.58424 
1 1 1 -8  12 2  o 229.196  10.808  469.406    43.251  466.510    50.140  477.825    85.498  227.184 12.691  222.265 22.332  4.919052       25.68643 
1 1 1 -8  12 3  o 118.055  12.423  126.668    25.223  118.172    31.839  140.986    41.333  112.215 16.764  120.948 20.291  -8.732567      26.31979 
1 1 1 -8  12 4  o 83.402   13.958  64.571     19.608  54.484     25.063  80.487     31.484  74.932  19.099  90.796  20.361  -15.86382      27.91701 
1 1 1 -8  12 5  o 51.641   15.355  24.802     14.864  23.160     19.858  26.895     22.416  51.805  17.973  55.325  19.101  -3.519882      26.22701 
1 1 1 -8  12 6  o 169.768  12.264  260.315    36.108  257.883    45.058  264.679    60.365  167.266 15.608  165.825 21.344  1.440414       26.44200 
1 1 1 -8  12 7  o 244.478  11.730  536.001    50.075  506.490    58.125  620.958    98.621  235.846 14.181  253.601 22.506  -17.75534      26.60059 
1 1 1 -8  12 8  o 137.121  11.207  169.263    26.597  153.987    31.420  207.874    49.953  129.602 14.113  147.625 19.885  -18.02286      24.38425 
1 1 1 -8  12 9  o 135.880  10.314  165.487    24.288  167.788    28.629  159.578    45.875  136.145 12.172  128.316 21.217  7.828308       24.46026 
1 1 1 -8  12 10 o 171.833  10.849  264.818    32.382  257.655    37.828  284.461    62.643  168.537 12.954  171.903 21.328  -3.366226      24.95392 
1 1 1 -8  12 11 o 74.195   11.746  50.496     14.710  51.589     17.847  48.180     25.977  74.235  14.287  70.410  20.123  3.825241       24.67954 
1 1 1 -8  12 12 o 93.198   11.652  79.026     18.546  73.230     21.869  93.873     35.000  88.651  14.639  97.783  21.117  -9.131935      25.69507 
1 1 1 -8  12 13 o 37.061   12.986  11.171     10.380  10.201     12.630  13.189     18.221  37.871  14.171  44.076  16.899  -6.204502      22.05401 
1 1 1 -8  12 14 o 206.806  11.490  384.754    41.325  351.634    48.034  479.093    81.069  196.207 14.115  223.455 21.025  -27.24760      25.32385 
1 1 1 -8  12 15 o 40.099   12.887  14.271     10.238  13.454     12.839  15.697     16.965  40.719  14.427  44.965  16.497  -4.245926      21.91547 
1 1 1 -8  12 16 o 153.190  12.683  213.257    33.620  213.257    33.620  0.0000     0.0000  153.190 12.683  ?       ?       0.000000       12.68327 
1 1 1 -8  12 17 o 140.582  12.327  179.499    29.953  179.499    29.953  0.0000     0.0000  140.582 12.327  ?       ?       0.000000       12.32704 
1 1 1 -8  12 18 o 144.397  12.829  190.032    32.009  190.032    32.009  0.0000     0.0000  144.397 12.829  ?       ?       0.000000       12.82913 
1 1 1 -8  12 19 o 78.277   14.395  57.545     18.950  57.545     18.950  0.0000     0.0000  78.277  14.395  ?       ?       0.000000       14.39500 
1 1 1 -8  12 20 o 166.345  10.587  248.822    30.589  254.495    35.759  233.346    59.061  167.385 12.322  153.426 22.735  13.95848       25.85905 
1 1 1 -8  12 21 o 59.088   13.180  32.897     13.253  32.897     13.253  0.0000     0.0000  59.088  13.180  ?       ?       0.000000       13.18028 
1 1 1 -8  12 22 f 111.907  11.332  113.806    21.837  113.806    21.837  0.0000     0.0000  111.907 11.332  ?       ?       0.000000       11.33167 
1 1 1 -8  12 23 o 74.753   11.710  51.543     14.783  51.543     14.783  0.0000     0.0000  74.753  11.710  ?       ?       0.000000       11.71041 
1 1 1 -8  12 24 o 64.396   13.932  39.332     15.210  39.332     15.210  0.0000     0.0000  64.396  13.932  ?       ?       0.000000       13.93235 
1 1 1 -8  12 25 o 41.011   13.565  14.895     11.303  17.336     12.194  0.0001     30.124  43.722  14.066  45.669  19.952  -1.946987      24.41189 
1 1 1 -8  12 26 o 54.198   18.038  27.306     19.974  35.414     25.320  13.946     32.503  60.846  20.311  52.402  21.710  8.444164       29.73005 
1 1 1 -8  12 27 o 87.171   17.163  73.832     25.194  48.939     33.111  108.064    38.828  69.764  23.224  102.770 22.280  -33.00568      32.18372 
1 1 1 -8  12 28 o 125.668  25.163  166.663    53.288  0.0000     0.0000  166.663    53.288  ?       ?       125.668 25.163  0.000000       25.16278 
1 1 1 -8  12 29 o 127.154  12.711  149.285    27.844  140.132    32.974  172.028    51.976  121.314 15.954  128.383 24.071  -7.068512      28.87781 
1 1 1 -8  12 30 o 79.434   17.725  62.418     23.960  40.482     31.240  93.756     37.339  64.315  22.529  94.594  22.861  -30.27885      32.09658 
1 1 1 -8  12 31 o 45.255   16.874  16.354     17.878  14.314     22.018  20.302     30.629  46.308  18.337  53.660  21.503  -7.352379      28.25953 
1 1 1 -8  12 32 o 55.760   17.495  30.231     18.962  14.613     23.409  60.035     32.337  47.165  18.834  75.435  22.698  -28.27011      29.49435 
1 1 1 -8  12 33 o 56.559   17.734  31.330     19.486  21.291     26.576  43.001     28.655  52.131  20.294  65.047  21.603  -12.91608      29.64021 
1 1 1 -8  12 34 o 82.856   14.436  65.828     20.126  59.448     23.793  81.876     37.736  76.856  18.039  86.572  24.085  -9.716087      30.09134 
1 1 1 -8  12 35 o 168.678  12.072  262.860    35.320  217.120    42.541  364.364    63.372  149.679 16.554  191.054 19.259  -41.37527      25.39629 
1 1 1 -8  12 36 f 87.835   13.116  72.996     19.500  57.736     22.615  117.219    38.498  75.777  17.453  105.653 21.598  -29.87605      27.76780 
1 1 1 -8  12 37 f 25.506   10.288  2.9649     7.0626  1.1289     7.3094  28.780     27.408  24.224  10.184  55.908  20.883  -31.68407      23.23439 
1 1 1 -8  12 38 o 114.977  10.972  121.986    21.759  106.972    24.583  176.316    46.764  106.120 13.578  129.728 21.391  -23.60725      25.33628 
1 1 1 -8  12 39 f 39.310   12.767  14.215     10.028  18.073     10.613  -17.9200   30.631  43.530  12.982  39.248  18.289  4.281837       22.42846 
1 1 1 -8  12 40 o 39.687   13.027  14.489     10.431  17.421     11.070  -8.7407    31.158  42.860  13.354  42.021  19.167  0.8383255      23.36028 
1 1 1 -8  12 41 o 35.207   12.036  10.904     8.8937  6.2418     9.3201  58.380     29.743  30.958  12.027  72.899  21.731  -41.94022      24.83742 
1 1 1 -8  12 42 o 102.505  10.504  97.342     18.535  79.708     20.505  176.099    43.334  91.124  13.278  129.913 19.723  -38.78907      23.77618 
1 1 1 -8  12 43 o 79.550   11.673  59.915     15.732  59.130     17.224  63.869     38.640  78.283  13.061  73.344  25.088  4.938202       28.28473 
1 1 1 -8  12 44 o 33.472   12.543  8.6363     9.9021  10.002     10.624  -0.4055    27.333  35.225  13.032  41.646  18.562  -6.421207      22.67983 
1 1 1 -8  13 1  o 99.011   11.366  90.573     19.294  80.538     22.474  118.692    37.620  91.749  14.511  107.321 20.827  -15.57177      25.38396 
1 1 1 -8  13 2  o 137.098  11.020  172.184    26.156  149.253    30.531  235.447    50.712  125.693 14.158  153.523 19.348  -27.83018      23.97457 
1 1 1 -8  13 3  o 26.939   11.655  -0.4536    10.073  -11.4479   13.215  14.792     15.562  25.537  11.938  42.710  15.779  -17.17295      19.78572 
1 1 1 -8  13 4  o 50.970   16.294  24.832     16.383  24.832     16.383  0.0000     0.0000  50.970  16.294  ?       ?       0.000000       16.29421 
1 1 1 -8  13 5  o 33.368   13.850  3.9009     13.262  3.9009     13.262  0.0000     0.0000  33.368  13.850  ?       ?       0.000000       13.84971 
1 1 1 -8  13 6  o 99.869   11.644  92.253     19.923  85.910     23.904  106.684    36.055  94.667  14.959  101.677 21.004  -7.010185      25.78591 
1 1 1 -8  13 7  o 134.074  12.375  166.515    28.643  175.390    36.506  152.300    46.200  135.307 15.746  120.443 22.803  14.86339       27.71169 
1 1 1 -8  13 8  o 162.936  13.039  246.861    36.786  235.550    46.426  265.943    60.300  155.555 17.391  160.596 22.089  -5.041077      28.11297 
1 1 1 -8  13 9  o 145.987  13.418  199.150    33.819  171.720    42.375  247.271    56.127  131.296 19.039  155.700 21.196  -24.40419      28.49172 
1 1 1 -8  13 10 o 195.301  13.432  355.514    45.527  305.837    56.676  445.881    76.441  175.964 18.735  209.432 21.195  -33.46776      28.28834 
1 1 1 -8  13 11 o 58.710   14.144  33.391     14.328  20.642     17.133  63.052     26.133  47.823  16.688  78.612  19.203  -30.78939      25.44115 
1 1 1 -8  13 12 o 39.581   13.507  13.794     11.199  15.579     13.895  10.486     18.919  42.465  15.012  41.972  16.871  0.4933243      22.58317 
1 1 1 -8  13 13 o 55.000   13.335  29.128     12.674  27.096     15.649  33.004     21.606  52.794  15.768  57.831  18.736  -5.036400      24.48807 
1 1 1 -8  13 14 o 179.195  10.978  293.550    34.185  282.237    39.904  324.753    66.269  173.940 13.238  177.448 21.850  -3.508255      25.54711 
1 1 1 -8  13 15 o 166.497  13.036  258.368    37.595  227.184    46.824  314.936    63.066  151.842 18.012  175.617 20.982  -23.77490      27.65308 
1 1 1 -8  13 16 o 74.760   18.802  57.104     24.520  57.104     24.520  0.0000     0.0000  74.760  18.802  ?       ?       0.000000       18.80231 
1 1 1 -8  13 17 o 110.768  16.788  120.219    31.451  120.219    31.451  0.0000     0.0000  110.768 16.788  ?       ?       0.000000       16.78763 
1 1 1 -8  13 18 f 267.181  18.853  709.895    87.386  709.895    87.386  0.0000     0.0000  267.181 18.853  ?       ?       0.000000       18.85253 
1 1 1 -8  13 19 o 144.157  13.426  195.407    33.405  149.550    41.807  276.388    55.557  120.390 20.630  165.357 19.625  -44.96706      28.47384 
1 1 1 -8  13 20 o 65.543   24.805  43.604     38.941  43.604     38.941  0.0000     0.0000  65.543  24.805  ?       ?       0.000000       24.80535 
1 1 1 -8  13 21 o 61.702   24.152  35.713     37.799  35.713     37.799  0.0000     0.0000  61.702  24.152  ?       ?       0.000000       24.15191 
1 1 1 -8  13 22 o 88.425   27.135  92.855     45.902  92.855     45.902  0.0000     0.0000  88.425  27.135  ?       ?       0.000000       27.13509 
1 1 1 -8  13 23 o 43.865   16.433  15.816     16.996  15.816     16.996  0.0000     0.0000  43.865  16.433  ?       ?       0.000000       16.43303 
1 1 1 -8  13 24 o 67.854   14.756  45.283     16.985  45.283     16.985  0.0000     0.0000  67.854  14.756  ?       ?       0.000000       14.75648 
1 1 1 -8  13 25 o 185.103  11.018  315.820    35.450  306.123    40.758  345.943    71.836  180.355 13.030  178.083 23.690  2.272003       27.03731 
1 1 1 -8  13 26 o 125.282  11.385  145.865    24.632  140.932    27.926  163.153    52.282  121.779 13.352  118.990 25.899  2.789276       29.13852 
1 1 1 -8  13 27 f 166.942  11.014  257.593    31.926  243.724    36.450  303.292    66.165  160.533 13.118  166.402 23.420  -5.869354      26.84414 
1 1 1 -8  13 28 o 81.747   12.295  63.481     17.007  56.479     18.926  92.843     38.756  75.665  14.855  89.895  24.169  -14.22958      28.36931 
1 1 1 -8  13 29 o 37.506   13.496  11.946     11.278  12.053     12.155  11.285     30.234  38.107  13.966  47.954  20.460  -9.846535      24.77206 
1 1 1 -8  13 30 o 93.167   11.650  81.736     18.537  82.024     20.648  80.538     42.087  92.439  13.164  81.250  26.131  11.18890       29.25986 
1 1 1 -8  13 31 o 79.790   12.317  60.816     16.608  63.993     18.333  46.270     39.223  81.284  13.383  64.757  24.802  16.52780       28.18219 
1 1 1 -8  13 32 o 41.745   14.350  16.117     12.645  14.387     13.765  25.472     32.007  40.742  14.873  54.124  21.878  -13.38184      26.45442 
1 1 1 -8  13 33 o 80.629   14.805  64.617     20.075  65.581     22.967  61.494     41.321  79.744  17.013  71.033  25.794  8.711380       30.89954 
1 1 1 -8  13 34 o 113.910  11.236  121.917    22.056  114.586    24.769  149.990    48.470  108.902 13.303  111.853 25.398  -2.950790      28.67068 
1 1 1 -8  13 35 f 48.120   14.007  23.071     12.482  24.134     13.585  17.316     31.623  49.054  14.701  50.015  21.113  -0.9607582     25.72736 
1 1 1 -8  13 36 o 24.345   10.338  0.9695     7.6531  1.3353     7.9683  -3.3810    27.479  25.066  10.591  40.283  18.226  -15.21689      21.07985 
1 1 1 -8  13 37 o 94.757   11.121  85.032     18.051  70.445     20.037  147.858    41.583  84.200  14.129  114.544 21.583  -30.34389      25.79660 
1 1 1 -8  13 38 o 35.786   12.716  11.324     9.9819  11.620     10.594  8.9806     29.809  36.382  13.082  45.474  19.858  -9.092793      23.77952 
1 1 1 -8  14 1  o 117.466  18.433  146.796    36.563  146.796    36.563  0.0000     0.0000  117.466 18.433  ?       ?       0.000000       18.43329 
1 1 1 -8  14 2  o 60.966   19.591  41.231     23.661  41.231     23.661  0.0000     0.0000  60.966  19.591  ?       ?       0.000000       19.59132 
1 1 1 -8  14 3  o 118.812  13.773  138.428    28.044  109.127    34.316  197.339    48.659  99.064  20.514  132.187 21.845  -33.12387      29.96722 
1 1 1 -8  14 4  o 120.355  13.811  141.999    28.498  112.318    34.652  204.028    50.094  100.731 20.401  134.094 22.170  -33.36356      30.12795 
1 1 1 -8  14 5  o 63.226   15.942  41.522     17.596  20.651     23.881  66.309     26.026  48.392  19.118  77.704  19.275  -29.31158      27.14822 
1 1 1 -8  14 6  o 151.179  13.023  220.605    34.041  210.789    42.517  238.133    56.815  142.617 17.437  143.123 23.554  -0.5063629     29.30629 
1 1 1 -8  14 7  o 117.516  13.515  134.652    27.227  128.889    34.532  144.122    44.265  110.116 18.624  110.706 23.620  -0.5900574     30.07900 
1 1 1 -8  14 8  o 120.779  13.186  141.456    27.356  133.949    34.219  154.752    45.538  113.011 17.941  115.094 23.456  -2.083847      29.53059 
1 1 1 -8  14 9  o 66.957   16.090  46.517     18.578  29.205     24.116  71.783     29.134  53.370  19.656  79.708  20.736  -26.33818      28.57156 
1 1 1 -8  14 10 o 100.601  14.956  101.194    25.472  101.194    25.472  0.0000     0.0000  100.601 14.956  ?       ?       0.000000       14.95601 
1 1 1 -8  14 11 o 100.974  14.397  101.047    24.665  101.047    24.665  0.0000     0.0000  100.974 14.397  ?       ?       0.000000       14.39748 
1 1 1 -8  14 12 o 73.948   20.018  61.136     26.481  61.136     26.481  0.0000     0.0000  73.948  20.018  ?       ?       0.000000       20.01850 
1 1 1 -8  14 13 o 100.571  12.978  98.158     22.258  107.122    28.888  85.061     34.916  101.865 16.829  84.561  23.027  17.30431       28.52122 
1 1 1 -8  14 14 o 77.742   15.685  61.860     20.557  41.657     26.663  91.469     32.278  60.937  20.841  90.112  20.917  -29.17508      29.52753 
1 1 1 -8  14 15 o 168.230  13.332  274.431    38.840  251.888    48.780  313.479    64.200  154.434 18.455  165.265 22.860  -10.83072      29.37994 
1 1 1 -8  14 16 o 54.779   16.025  31.212     16.301  37.026     21.844  23.907     24.486  58.368  18.832  50.261  19.504  8.106945       27.11126 
1 1 1 -8  14 17 o 145.984  11.131  200.910    28.159  190.342    33.178  228.134    53.249  139.360 13.817  141.425 22.303  -2.064590      26.23590 
1 1 1 -8  14 18 o 69.660   12.383  47.332     14.510  53.551     17.666  34.435     25.438  72.938  14.382  56.349  20.271  16.58930       24.85449 
1 1 1 -8  14 19 o 143.196  10.860  192.923    26.951  190.431    31.679  199.455    51.283  140.010 13.111  130.332 23.395  9.677704       26.81804 
1 1 1 -8  14 20 o 82.357   12.677  66.187     17.644  66.187     17.644  0.0000     0.0000  82.357  12.677  ?       ?       0.000000       12.67654 
1 1 1 -8  14 21 o 65.771   13.964  43.604     15.541  43.604     15.541  0.0000     0.0000  65.771  13.964  ?       ?       0.000000       13.96424 
1 1 1 -8  14 22 o 135.175  11.561  174.172    27.025  174.172    27.025  0.0000     0.0000  135.175 11.561  ?       ?       0.000000       11.56145 
1 1 1 -8  14 23 o 132.406  11.361  166.874    26.012  166.874    26.012  0.0000     0.0000  132.406 11.361  ?       ?       0.000000       11.36122 
1 1 1 -8  14 24 o 37.407   14.054  11.852     12.448  11.852     12.448  0.0000     0.0000  37.407  14.054  ?       ?       0.000000       14.05413 
1 1 1 -8  14 25 o 74.478   14.921  56.986     18.728  56.986     18.728  0.0000     0.0000  74.478  14.921  ?       ?       0.000000       14.92111 
1 1 1 -8  14 26 o 58.857   14.375  35.714     14.646  36.691     16.225  31.416     34.040  58.982  15.538  54.664  22.387  4.318501       27.25032 
1 1 1 -8  14 27 o 73.102   14.970  55.288     18.465  56.225     21.163  52.298     37.794  72.041  17.083  63.498  24.340  8.543026       29.73679 
1 1 1 -8  14 28 o 52.027   15.499  28.637     15.133  34.738     16.942  4.5489     33.662  56.780  16.259  44.717  20.208  12.06269       25.93671 
1 1 1 -8  14 29 o 100.211  13.496  100.522    23.014  99.992     26.776  102.021    45.025  97.198  16.358  83.568  27.044  13.62984       31.60600 
1 1 1 -8  15 1  o 100.037  12.996  102.751    22.165  96.183     25.104  125.974    47.204  93.418  15.964  86.114  27.672  7.304039       31.94672 
1 1 1 -8  15 2  f 86.209   13.302  76.941     19.379  76.429     21.781  78.887     42.451  83.702  15.473  68.219  25.880  15.48329       30.15267 
1 1 1 -8  15 3  o 105.695  12.323  112.709    22.316  112.888    25.563  112.135    45.749  103.134 14.604  81.346  27.302  21.78850       30.96211 
1 1 1 -8  15 4  o 64.686   16.724  47.902     19.028  47.902     19.028  0.0000     0.0000  64.686  16.724  ?       ?       0.000000       16.72365 
1 1 1 -8  15 5  o 51.788   16.800  30.867     17.368  30.867     17.368  0.0000     0.0000  51.788  16.800  ?       ?       0.000000       16.80020 
1 1 1 -8  15 6  o 70.388   15.600  54.491     18.669  54.491     18.669  0.0000     0.0000  70.388  15.600  ?       ?       0.000000       15.59980 
1 1 1 -8  15 7  o 61.361   16.860  43.328     18.620  43.328     18.620  0.0000     0.0000  61.361  16.860  ?       ?       0.000000       16.85986 
1 1 1 -8  15 8  o 48.853   16.141  26.732     16.004  21.742     19.339  37.578     28.511  45.190  17.390  54.067  21.028  -8.876575      27.28661 
1 1 1 -8  15 9  o 90.912   15.219  88.871     23.304  69.360     28.316  129.832    41.027  73.062  21.048  96.304  24.376  -23.24168      32.20626 
1 1 1 -8  15 10 o 90.580   14.943  87.668     22.809  70.182     29.322  114.458    36.295  72.766  21.551  93.068  22.568  -20.30191      31.20482 
1 1 1 -8  15 11 o 99.533   11.905  98.923     20.280  105.933    24.193  82.362     37.189  100.543 14.174  73.809  24.615  26.73347       28.40442 
1 1 1 -8  15 12 o 110.574  12.232  122.774    23.221  103.694    27.360  171.916    43.909  96.242  16.898  114.880 22.695  -18.63774      28.29483 
1 1 1 -8  15 13 o 28.881   12.296  3.0266     10.878  6.5925     12.756  -6.4789    20.827  32.780  13.592  32.847  15.230  -0.6669998E-01 20.41330 
1 1 1 -7  0  1  o 53.465   17.017  31.562     13.989  31.562     13.989  31.562     13.989  53.465  17.017  53.465  17.017  -0.000000      0.000000 
1 1 1 -7  0  2  o 493.695  22.392  2153.21    192.118 2153.21    192.118 2153.21    192.118 493.695 22.392  493.695 22.392  0.000000       0.000000 
1 1 1 -7  0  3  o 628.860  26.806  3499.90    293.122 3499.90    293.122 3499.90    293.122 628.860 26.806  628.860 26.806  -0.000000      0.000000 
1 1 1 -7  0  4  o 736.089  30.292  4804.80    387.829 4804.80    387.829 4804.80    387.829 736.089 30.292  736.089 30.292  0.000000       0.000000 
1 1 1 -7  0  5  o 149.836  13.210  200.927    33.943  200.927    33.943  200.927    33.943  149.836 13.210  149.836 13.210  0.000000       0.000000 
1 1 1 -7  0  6  o 706.933  29.480  4430.85    362.445 4430.85    362.445 4430.85    362.445 706.933 29.480  706.933 29.480  0.000000       0.000000 
1 1 1 -7  0  7  o 569.937  35.727  2912.61    352.336 2912.61    352.336 2912.61    352.336 569.937 35.727  569.937 35.727  0.000000       0.000000 
1 1 1 -7  0  8  o 23.460   13.700  5.6897     9.3342  5.6897     9.3342  5.6897     9.3342  23.460  13.700  23.460  13.700  0.000000       0.000000 
1 1 1 -7  0  9  o 876.831  51.597  7005.28    783.692 7005.28    783.692 7005.28    783.692 876.831 51.597  876.831 51.597  0.000000       0.000000 
1 1 1 -7  0  10 o 465.194  30.914  1937.20    248.561 1937.20    248.561 1937.20    248.561 465.194 30.914  465.194 30.914  0.000000       0.000000 
1 1 1 -7  0  11 f 361.249  26.557  1168.14    165.430 1168.14    165.430 1168.14    165.430 361.249 26.557  361.249 26.557  0.000000       0.000000 
1 1 1 -7  0  12 o 147.686  21.075  202.749    51.142  202.749    51.142  202.749    51.142  147.686 21.075  147.686 21.075  0.000000       0.000000 
1 1 1 -7  0  13 o 320.385  25.025  920.113    138.029 920.113    138.029 920.113    138.029 320.385 25.025  320.385 25.025  0.000000       0.000000 
1 1 1 -7  0  14 o 777.253  32.044  5378.56    433.196 5378.56    433.196 5378.56    433.196 777.253 32.044  777.253 32.044  -0.000000      0.000000 
1 1 1 -7  0  15 o 477.890  21.918  2020.39    182.015 2020.39    182.015 2020.39    182.015 477.890 21.918  477.890 21.918  0.000000       0.000000 
1 1 1 -7  0  16 o 209.424  14.837  389.876    53.629  389.876    53.629  389.876    53.629  209.424 14.837  209.424 14.837  0.000000       0.000000 
1 1 1 -7  0  17 f 71.543   15.689  50.749     17.157  50.749     17.157  50.749     17.157  71.543  15.689  71.543  15.689  0.000000       0.000000 
1 1 1 -7  0  18 o 381.740  19.167  1288.92    127.023 1288.92    127.023 1288.92    127.023 381.740 19.167  381.740 19.167  0.000000       0.000000 
1 1 1 -7  0  19 o 678.495  28.656  4090.71    338.111 4090.71    338.111 4090.71    338.111 678.495 28.656  678.495 28.656  -0.000000      0.000000 
1 1 1 -7  0  20 o 178.561  13.862  284.149    42.620  284.149    42.620  284.149    42.620  178.561 13.862  178.561 13.862  0.000000       0.000000 
1 1 1 -7  0  21 o 35.276   13.441  14.761     7.7940  14.761     7.7940  14.761     7.7940  35.276  13.441  35.276  13.441  -0.000000      0.000000 
1 1 1 -7  0  22 o 469.029  20.230  1942.53    164.976 1942.53    164.976 1942.53    164.976 469.029 20.230  469.029 20.230  -0.000000      0.000000 
1 1 1 -7  0  23 o 843.375  49.923  6488.32    729.272 6488.32    729.272 6488.32    729.272 843.375 49.923  843.375 49.923  -0.000000      0.000000 
1 1 1 -7  0  24 o 338.321  17.843  1011.87    104.738 1011.87    104.738 1011.87    104.738 338.321 17.843  338.321 17.843  0.000000       0.000000 
1 1 1 -7  0  25 o 807.667  33.082  5803.84    464.765 5803.84    464.765 5803.84    464.765 807.667 33.082  807.667 33.082  0.000000       0.000000 
1 1 1 -7  0  26 o 288.166  16.586  734.551    82.824  734.551    82.824  734.551    82.824  288.166 16.586  288.166 16.586  0.000000       0.000000 
1 1 1 -7  0  27 o 949.363  38.203  8038.99    630.944 8038.99    630.944 8038.99    630.944 949.363 38.203  949.363 38.203  0.000000       0.000000 
1 1 1 -7  0  28 o 485.317  31.766  2105.49    266.536 2105.49    266.536 2105.49    266.536 485.317 31.766  485.317 31.766  0.000000       0.000000 
1 1 1 -7  0  29 f 55.466   22.255  37.369     20.950  37.369     20.950  37.369     20.950  55.466  22.255  55.466  22.255  0.000000       0.000000 
1 1 1 -7  0  30 o 169.573  21.082  263.578    59.821  263.578    59.821  263.578    59.821  169.573 21.082  169.573 21.082  -0.000000      0.000000 
1 1 1 -7  0  31 o 260.090  22.988  607.582    102.520 607.582    102.520 607.582    102.520 260.090 22.988  260.090 22.988  0.000000       0.000000 
1 1 1 -7  0  32 o 313.393  24.765  878.977    133.568 878.977    133.568 878.977    133.568 313.393 24.765  313.393 24.765  0.000000       0.000000 
1 1 1 -7  0  33 o 212.704  21.764  409.212    78.892  409.212    78.892  409.212    78.892  212.704 21.764  212.704 21.764  -0.000000      0.000000 
1 1 1 -7  0  34 o 208.640  14.795  386.650    53.275  386.650    53.275  386.650    53.275  208.640 14.795  208.640 14.795  -0.000000      0.000000 
1 1 1 -7  0  35 o 922.700  37.172  7585.72    596.678 7585.72    596.678 7585.72    596.678 922.700 37.172  922.700 37.172  0.000000       0.000000 
1 1 1 -7  0  36 f 126.455  13.718  144.762    29.387  144.762    29.387  144.762    29.387  126.455 13.718  126.455 13.718  0.000000       0.000000 
1 1 1 -7  0  37 o 399.338  19.620  1408.76    136.054 1408.76    136.054 1408.76    136.054 399.338 19.620  399.338 19.620  0.000000       0.000000 
1 1 1 -7  0  38 o 98.904   15.094  91.374     24.264  91.374     24.264  91.374     24.264  98.904  15.094  98.904  15.094  -0.000000      0.000000 
1 1 1 -7  0  39 o 279.878  16.169  692.992    78.411  692.992    78.411  692.992    78.411  279.878 16.169  279.878 16.169  0.000000       0.000000 
1 1 1 -7  0  40 o 280.898  16.511  698.495    80.340  698.495    80.340  698.495    80.340  280.898 16.511  280.898 16.511  -0.000000      0.000000 
1 1 1 -7  0  41 o 153.916  21.439  219.749    54.419  219.749    54.419  219.749    54.419  153.916 21.439  153.916 21.439  0.000000       0.000000 
1 1 1 -7  0  42 o 75.367   19.008  58.309     21.633  58.309     21.633  58.309     21.633  75.367  19.008  75.367  19.008  -0.000000      0.000000 
1 1 1 -7  0  43 o 808.563  33.088  5834.20    465.358 5834.20    465.358 5834.20    465.358 808.563 33.088  808.563 33.088  0.000000       0.000000 
1 1 1 -7  0  44 o 141.776  15.242  182.135    36.628  182.135    36.628  182.135    36.628  141.776 15.242  141.776 15.242  -0.000000      0.000000 
1 1 1 -7  0  45 o 541.086  34.610  2640.75    323.917 2640.75    323.917 2640.75    323.917 541.086 34.610  541.086 34.610  0.000000       0.000000 
1 1 1 -7  0  46 o 93.528   25.176  91.845     35.532  91.845     35.532  91.845     35.532  93.528  25.176  93.528  25.176  0.000000       0.000000 
1 1 1 -7  0  47 o 702.926  42.962  4522.33    522.786 4522.33    522.786 4522.33    522.786 702.926 42.962  702.926 42.962  0.000000       0.000000 
1 1 1 -7  0  48 o 389.155  27.969  1364.92    187.790 1364.92    187.790 1364.92    187.790 389.155 27.969  389.155 27.969  -0.000000      0.000000 
1 1 1 -7  0  49 o 409.370  18.568  1484.15    132.098 1484.15    132.098 1484.15    132.098 409.370 18.568  409.370 18.568  -0.000000      0.000000 
1 1 1 -7  0  50 o 204.027  15.492  371.919    54.459  371.919    54.459  371.919    54.459  204.027 15.492  204.027 15.492  -0.000000      0.000000 
1 1 1 -7  0  51 o 282.204  16.538  707.912    80.848  707.912    80.848  707.912    80.848  282.204 16.538  282.204 16.538  0.000000       0.000000 
1 1 1 -7  0  52 o 543.544  23.246  2638.59    219.707 2638.59    219.707 2638.59    219.707 543.544 23.246  543.544 23.246  0.000000       0.000000 
1 1 1 -7  0  53 o 10.984   7.9826  -18.5610   8.6074  -18.5610   8.6074  -18.5610   8.6074  10.984  7.9826  10.984  7.9826  0.000000       0.000000 
1 1 1 -7  0  54 o 605.329  25.899  3305.71    272.601 3305.71    272.601 3305.71    272.601 605.329 25.899  605.329 25.899  0.000000       0.000000 
1 1 1 -7  0  55 o 291.158  16.854  757.401    85.026  757.401    85.026  757.401    85.026  291.158 16.854  291.158 16.854  0.000000       0.000000 
1 1 1 -7  0  56 o 453.810  31.783  1920.71    249.008 1920.71    249.008 1920.71    249.008 453.810 31.783  453.810 31.783  0.000000       0.000000 
1 1 1 -7  0  57 o 761.251  31.716  5398.24    419.903 5398.24    419.903 5398.24    419.903 761.251 31.716  761.251 31.716  -0.000000      0.000000 
1 1 1 -7  0  58 o 341.837  26.968  1089.95    158.662 1089.95    158.662 1089.95    158.662 341.837 26.968  341.837 26.968  -0.000000      0.000000 
1 1 1 -7  0  59 o 47.554   25.326  30.144     28.514  30.144     28.514  30.144     28.514  47.554  25.326  47.554  25.326  -0.000000      0.000000 
1 1 1 -7  0  60 o 137.225  24.706  186.971    53.494  186.971    53.494  186.971    53.494  137.225 24.706  137.225 24.706  -0.000000      0.000000 
1 1 1 -7  0  61 o 22.490   15.160  -7.0181    17.186  -7.0181    17.186  -7.0181    17.186  22.490  15.160  22.490  15.160  -0.000000      0.000000 
1 1 1 -7  0  62 o 302.849  17.742  837.848    93.081  837.848    93.081  837.848    93.081  302.849 17.742  302.849 17.742  -0.000000      0.000000 
1 1 1 -7  0  63 o 252.982  16.959  586.956    74.141  586.956    74.141  586.956    74.141  252.982 16.959  252.982 16.959  0.000000       0.000000 
1 1 1 -7  0  64 o 278.363  17.379  714.153    83.713  714.153    83.713  714.153    83.713  278.363 17.379  278.363 17.379  0.000000       0.000000 
1 1 1 -7  0  65 o 19.789   13.914  -19.4007   18.647  -19.4007   18.647  -19.4007   18.647  19.789  13.914  19.789  13.914  0.000000       0.000000 
1 1 1 -7  0  66 o 120.045  18.139  140.866    35.454  140.866    35.454  140.866    35.454  120.045 18.139  120.045 18.139  -0.000000      0.000000 
1 1 1 -7  0  67 o 29.486   18.744  4.6959     21.092  4.6959     21.092  4.6959     21.092  29.486  18.744  29.486  18.744  0.000000       0.000000 
1 1 1 -7  0  68 o 140.100  17.527  190.424    41.060  190.424    41.060  190.424    41.060  140.100 17.527  140.100 17.527  0.000000       0.000000 
1 1 1 -7  0  69 o 76.871   33.318  89.330     46.172  89.330     46.172  89.330     46.172  76.871  33.318  76.871  33.318  0.000000       0.000000 
1 1 1 -7  0  70 o 42.788   25.670  25.577     34.420  25.577     34.420  25.577     34.420  42.788  25.670  42.788  25.670  -0.000000      0.000000 
1 1 1 -7  0  71 o 101.272  32.676  136.832    51.036  136.832    51.036  136.832    51.036  101.272 32.676  101.272 32.676  -0.000000      0.000000 
1 1 1 -7  0  72 o 255.202  28.203  735.886    121.754 735.886    121.754 735.886    121.754 255.202 28.203  255.202 28.203  0.000000       0.000000 
1 1 1 -7  0  73 o 125.063  18.486  160.928    37.777  160.928    37.777  160.928    37.777  125.063 18.486  125.063 18.486  -0.000000      0.000000 
1 1 1 -7  1  1  o 316.394  13.864  878.288    76.591  886.646    132.654 874.108    93.806  315.405 24.274  314.776 17.132  0.6288757      29.71055 
1 1 1 -7  1  2  o 729.602  30.444  4757.54    387.834 4883.73    548.454 4631.32    548.506 729.578 43.246  709.404 44.507  20.17413       62.05741 
1 1 1 -7  1  3  o 480.124  21.872  2037.03    183.361 2053.59    259.301 2020.47    259.323 478.153 31.230  474.152 31.502  4.000854       44.35842 
1 1 1 -7  1  4  o 578.765  25.095  2971.28    253.601 2980.20    358.623 2962.36    358.669 573.870 35.972  572.079 36.092  1.790527       50.95663 
1 1 1 -7  1  5  o 194.036  14.490  332.268    48.737  0.0000     0.0000  332.268    48.737  ?       ?       194.036 14.490  0.000000       14.48961 
1 1 1 -7  1  6  o 423.853  20.108  1584.64    148.811 0.0000     0.0000  1584.64    148.811 ?       ?       423.853 20.108  0.000000       20.10750 
1 1 1 -7  1  7  o 357.054  18.277  1125.44    113.563 0.0000     0.0000  1125.44    113.563 ?       ?       357.054 18.277  0.000000       18.27670 
1 1 1 -7  1  8  o 257.180  15.771  583.299    70.479  0.0000     0.0000  583.299    70.479  ?       ?       257.180 15.771  0.000000       15.77105 
1 1 1 -7  1  9  o 244.857  12.485  526.913    53.202  480.418    92.073  550.217    65.185  231.883 23.046  249.867 15.010  -17.98470      27.50324 
1 1 1 -7  1  10 o 206.601  12.063  375.345    43.327  439.031    74.998  343.441    53.081  222.302 19.519  197.108 15.549  25.19389       24.95563 
1 1 1 -7  1  11 o 394.669  15.584  1368.73    107.395 1296.63    185.960 1404.81    131.551 380.370 28.200  399.236 18.871  -18.86606      33.93207 
1 1 1 -7  1  12 o 626.778  21.725  3473.74    237.757 3490.58    411.779 3465.31    291.201 619.059 38.283  623.992 26.727  -4.932983      46.68969 
1 1 1 -7  1  13 o 292.410  16.485  754.396    83.822  0.0000     0.0000  754.396    83.822  ?       ?       292.410 16.485  0.000000       16.48451 
1 1 1 -7  1  14 o 320.511  13.945  901.696    78.039  982.163    135.156 861.452    95.582  332.087 23.460  312.297 17.600  19.79092       29.32790 
1 1 1 -7  1  15 o 496.177  18.207  2169.30    157.737 2130.43    273.189 2188.74    193.195 485.920 32.384  497.267 22.251  -11.34732      39.29143 
1 1 1 -7  1  16 o 361.641  14.904  1148.91    94.110  1163.79    115.265 1119.15    162.993 363.430 18.164  353.607 26.594  9.823547       32.20488 
1 1 1 -7  1  17 o 307.371  16.236  833.159    86.826  597.444    122.739 1069.27    122.841 257.449 27.742  347.388 20.341  -89.93927      34.40029 
1 1 1 -7  1  18 o 211.482  11.779  393.166    43.321  340.015    75.034  419.743    53.058  194.755 22.478  218.236 13.998  -23.48109      26.48006 
1 1 1 -7  1  19 o 180.869  11.418  287.741    35.874  263.481    62.134  299.872    43.937  171.423 21.211  184.355 13.748  -12.93214      25.27712 
1 1 1 -7  1  20 o 397.684  15.602  1389.55    108.338 1677.42    187.697 1245.74    132.668 434.147 24.864  375.181 20.328  58.96609       32.11582 
1 1 1 -7  1  21 o 547.505  19.442  2642.03    185.867 2780.57    321.958 2572.78    227.630 555.690 33.336  538.886 24.192  16.80408       41.18917 
1 1 1 -7  1  22 o 80.616   10.602  57.869     14.561  43.057     25.291  65.213     17.809  69.124  19.886  85.403  12.297  -16.27859      23.38155 
1 1 1 -7  1  23 o 363.525  14.893  1159.71    94.533  1262.99    163.776 1108.11    115.764 376.804 25.035  354.322 18.779  22.48206       31.29533 
1 1 1 -7  1  24 o 385.980  18.993  1311.11    128.002 1316.12    181.028 1306.10    181.016 384.211 27.159  382.710 27.267  1.501587       38.48523 
1 1 1 -7  1  25 o 506.705  18.386  2257.26    162.665 2328.04    199.236 2115.74    281.709 513.767 22.210  485.610 33.428  28.15683       40.13305 
1 1 1 -7  1  26 o 234.138  10.613  479.649    43.387  490.051    61.357  469.247    61.359  235.940 14.971  230.813 15.312  5.127518       21.41462 
1 1 1 -7  1  27 o 179.132  10.076  281.549    31.386  307.543    44.343  255.454    44.431  186.872 13.685  170.037 15.123  16.83470       20.39578 
1 1 1 -7  1  28 o 436.422  14.435  1668.91    110.000 1665.17    155.554 1672.65    155.573 435.130 20.474  436.114 20.430  -0.9832764     28.92350 
1 1 1 -7  1  29 o 302.414  11.781  800.316    62.209  798.007    87.962  802.627    87.993  301.149 16.795  302.028 16.751  -0.8795776     23.72081 
1 1 1 -7  1  30 o 94.133   10.905  78.546     17.592  74.649     21.501  86.439     30.600  91.288  13.930  97.621  18.632  -6.333000      23.26344 
1 1 1 -7  1  31 o 637.533  21.913  3576.22    243.933 3608.97    298.759 3510.73    422.495 639.226 26.767  625.357 38.885  13.86823       47.20765 
1 1 1 -7  1  32 o 335.885  12.350  987.370    72.431  909.735    102.414 1065.06    102.452 321.424 18.324  348.484 16.837  -27.06000      24.88517 
1 1 1 -7  1  33 o 478.863  15.270  2009.45    127.679 1971.71    180.558 2047.19    180.572 473.422 21.843  482.467 21.435  -9.045166      30.60310 
1 1 1 -7  1  34 o 580.961  17.627  2961.36    178.806 2950.67    252.869 2972.06    252.870 578.448 25.036  580.563 24.945  -2.114624      35.34215 
1 1 1 -7  1  35 o 284.734  13.282  709.827    66.035  715.933    114.401 706.776    80.866  284.195 23.258  283.440 16.410  0.7547607      28.46431 
1 1 1 -7  1  36 o 264.882  12.917  614.229    59.744  621.775    103.897 610.501    73.025  264.803 22.690  263.411 15.952  1.391937       27.73645 
1 1 1 -7  1  37 o 318.682  13.967  889.536    77.717  877.487    134.681 895.550    95.158  314.484 24.726  319.040 17.145  -4.555969      30.08883 
1 1 1 -7  1  38 o 263.889  12.923  609.689    59.546  610.996    103.616 609.045    72.760  262.417 22.842  263.082 15.914  -0.6651306     27.83889 
1 1 1 -7  1  39 o 355.681  18.182  1113.67    112.543 0.0000     0.0000  1113.67    112.543 ?       ?       355.681 18.182  0.000000       18.18231 
1 1 1 -7  1  40 o 789.338  26.159  5505.71    360.534 5156.07    624.420 5680.57    441.578 752.031 47.801  799.557 31.630  -47.52533      57.31836 
1 1 1 -7  1  41 o 419.525  16.017  1543.77    117.325 1321.03    202.964 1655.54    143.782 384.595 30.474  434.039 18.972  -49.44394      35.89670 
1 1 1 -7  1  42 o 333.681  14.263  975.797    83.099  961.213    143.759 983.115    101.836 328.914 25.224  334.156 17.515  -5.242126      30.70852 
1 1 1 -7  1  43 o 501.685  18.242  2211.60    159.796 2358.42    276.783 2138.20    195.706 514.072 30.980  492.404 22.763  21.66763       38.44364 
1 1 1 -7  1  44 o 95.173   10.290  80.171     16.828  90.053     24.452  71.280     23.194  100.348 14.366  88.868  15.512  11.47968       21.14179 
1 1 1 -7  1  45 o 767.079  21.909  5189.42    293.440 5281.90    415.034 5096.99    414.941 770.064 30.867  756.190 31.426  13.87378       44.04970 
1 1 1 -7  1  46 o 111.789  10.372  110.298    20.015  106.006    28.832  114.290    27.807  108.804 15.625  113.259 14.385  -4.455711      21.23853 
1 1 1 -7  1  47 o 540.796  16.642  2569.96    157.147 2514.09    222.190 2625.89    222.288 533.060 23.872  544.935 23.362  -11.87561      33.40124 
1 1 1 -7  1  48 o ?        ?       -242.7094  8.2990  -235.7654  12.121  -248.8365  11.386  ?       ?       ?       ?       0.000000       ?        
1 1 1 -7  1  49 o 208.817  12.777  383.758    46.362  366.799    57.232  416.129    79.071  203.624 16.232  216.020 21.238  -12.39685      26.73041 
1 1 1 -7  1  50 o 798.265  26.492  5675.64    369.259 5684.54    452.283 5657.83    639.475 794.863 32.588  779.241 47.222  15.62195       57.37490 
1 1 1 -7  1  51 o 483.791  17.781  2063.57    150.202 2002.85    183.908 2185.22    260.303 475.335 22.158  492.366 30.427  -17.03131      37.64050 
1 1 1 -7  1  52 o 672.359  22.965  4017.71    269.612 3936.82    330.169 4179.58    467.086 662.373 28.548  672.856 39.936  -10.48285      49.08996 
1 1 1 -7  1  53 o 93.298   12.818  77.869     20.330  64.365     24.957  104.502    35.048  83.840  17.609  107.047 19.468  -23.20758      26.25017 
1 1 1 -7  1  54 f 318.573  17.561  900.118    97.304  939.490    137.379 860.480    137.841 323.125 24.532  308.670 25.812  14.45462       35.61058 
1 1 1 -7  1  55 o 330.207  14.292  961.041    82.402  939.455    100.817 1004.48    143.024 325.157 17.825  333.615 24.729  -8.457916      30.48364 
1 1 1 -7  1  56 o 230.460  12.591  468.877    50.476  480.250    61.715  445.895    87.728  232.646 15.278  221.874 22.978  10.77142       27.59331 
1 1 1 -7  1  57 o 54.109   14.669  26.735     14.207  43.012     19.009  6.1390     21.383  68.328  16.183  43.371  17.750  24.95723       24.01978 
1 1 1 -7  1  58 o 89.370   14.861  72.531     22.375  41.956     40.156  86.299     26.946  72.021  25.514  97.305  16.446  -25.28472      30.35535 
1 1 1 -7  1  59 o 342.792  14.835  1042.03    88.795  984.610    153.654 1070.82    108.802 326.338 27.214  345.758 18.085  -19.41953      32.67517 
1 1 1 -7  1  60 o 28.716   12.865  -5.8512    13.312  13.458     17.686  -31.0890   20.220  44.663  16.757  28.308  13.655  16.35502       21.61661 
1 1 1 -7  1  61 o 178.681  12.455  283.845    38.617  216.096    65.173  320.499    47.938  151.302 25.581  189.299 14.617  -37.99631      29.46271 
1 1 1 -7  1  62 o 67.592   19.224  42.424     23.767  48.333     31.578  34.703     36.097  72.530  22.548  66.280  24.102  6.250374       33.00496 
1 1 1 -7  1  63 o 63.996   18.450  37.953     21.749  26.962     29.008  52.064     32.868  59.087  21.588  74.789  22.964  -15.70228      31.51776 
1 1 1 -7  1  64 o 186.476  12.383  310.358    40.090  247.953    67.673  344.099    49.761  161.304 24.823  195.548 14.681  -34.24452      28.83980 
1 1 1 -7  1  65 o 124.644  11.279  138.935    24.282  133.623    33.262  144.997    35.529  120.723 16.187  125.685 16.595  -4.961639      23.18261 
1 1 1 -7  1  66 o 122.488  13.683  135.970    28.763  127.378    50.401  140.120    35.027  113.548 25.984  123.297 16.700  -9.748734      30.88745 
1 1 1 -7  1  67 o 58.078   18.338  30.857     20.801  39.191     35.347  26.442     25.727  67.255  23.926  56.775  20.389  10.47934       31.43536 
1 1 1 -7  1  68 o 52.142   17.657  23.667     19.137  61.443     34.153  6.3787     23.105  79.342  23.192  44.106  18.291  35.23558       29.53697 
1 1 1 -7  1  69 o 56.912   16.399  30.384     17.186  25.746     24.461  34.905     24.152  55.554  19.889  61.419  19.800  -5.864506      28.06374 
1 1 1 -7  1  70 o 88.233   13.585  71.820     20.258  59.884     28.519  83.975     28.780  78.260  20.592  93.767  18.235  -15.50726      27.50558 
1 1 1 -7  1  71 o 101.744  12.781  94.731     22.205  109.079    31.522  80.598     31.285  107.336 17.416  90.766  20.254  16.57035       26.71217 
1 1 1 -7  1  72 o 112.446  12.270  115.310    23.700  135.050    33.631  95.834     33.406  119.857 16.508  98.997  20.014  20.86073       25.94325 
1 1 1 -7  1  73 o 71.369   17.645  49.566     21.864  46.971     26.129  55.628     39.933  69.029  20.316  74.699  25.505  -5.669518      32.60746 
1 1 1 -7  2  1  o 285.901  13.417  717.266    66.980  716.173    116.089 717.811    82.006  283.219 23.693  285.164 16.541  -1.945496      28.89541 
1 1 1 -7  2  2  o 601.393  21.141  3197.36    221.998 3198.55    384.570 3196.77    271.871 592.698 37.351  599.439 25.975  -6.741272      45.49532 
1 1 1 -7  2  3  o 494.131  18.149  2151.37    156.584 2281.64    271.284 2086.28    191.749 503.592 31.003  485.368 22.626  18.22351       38.38067 
1 1 1 -7  2  4  o 362.398  12.856  1151.89    81.351  1261.65    115.066 1042.20    115.030 378.544 17.409  343.203 19.273  35.34140       25.97173 
1 1 1 -7  2  5  o 155.523  9.6086  212.512    25.965  220.320    36.729  204.713    36.710  157.895 13.451  152.081 13.981  5.813690       19.40077 
1 1 1 -7  2  6  o 397.268  13.560  1384.94    94.063  1400.38    133.023 1369.50    133.026 398.469 19.119  394.005 19.336  4.464325       27.19254 
1 1 1 -7  2  7  o 255.691  12.898  574.879    57.398  557.364    99.436  583.631    70.291  249.796 23.058  257.191 15.728  -7.394943      27.91146 
1 1 1 -7  2  8  o 418.948  16.301  1543.84    119.247 1338.54    206.552 1646.47    146.044 385.233 30.969  431.989 19.362  -46.75558      36.52358 
1 1 1 -7  2  9  o 594.467  20.727  3122.91    215.145 3103.55    372.683 3132.59    263.484 584.112 36.728  593.584 25.422  -9.472351      44.66795 
1 1 1 -7  2  10 o 573.110  20.419  2901.74    204.329 2706.06    353.939 2999.55    250.241 544.795 37.435  581.120 24.662  -36.32550      44.82838 
1 1 1 -7  2  11 f 237.242  12.476  494.922    51.497  485.642    89.257  499.553    63.050  233.199 22.188  237.933 15.257  -4.733994      26.92723 
1 1 1 -7  2  12 o 623.072  21.445  3434.34    233.304 3346.48    404.145 3478.26    285.720 605.269 38.440  625.036 26.180  -19.76685      46.50850 
1 1 1 -7  2  13 o 350.506  14.732  1079.30    90.162  1087.67    156.220 1075.13    110.406 348.708 25.841  348.796 18.191  -0.8737183E-01 31.60213 
1 1 1 -7  2  14 f 125.722  9.2698  139.082    20.205  136.442    28.543  141.733    28.606  123.981 13.398  126.426 13.151  -2.445267      18.77407 
1 1 1 -7  2  15 o 337.422  11.939  998.060    70.340  1034.43    81.237  889.104    140.600 343.314 13.552  315.136 25.778  28.17731       29.12273 
1 1 1 -7  2  16 o 217.881  10.301  415.700    39.190  425.574    45.260  386.119    78.338  220.035 11.824  207.781 21.924  12.25323       24.90880 
1 1 1 -7  2  17 o 148.523  8.8866  193.695    22.940  218.892    26.520  118.812    45.719  157.842 9.6691  113.707 23.791  44.13516       25.68111 
1 1 1 -7  2  18 o 526.024  23.306  2451.35    214.056 0.0000     0.0000  2451.35    214.056 ?       ?       526.024 23.306  0.000000       23.30555 
1 1 1 -7  2  19 o 390.767  19.063  1345.82    130.071 0.0000     0.0000  1345.82    130.071 ?       ?       390.767 19.063  0.000000       19.06333 
1 1 1 -7  2  20 o 805.251  32.647  5813.83    459.033 0.0000     0.0000  5813.83    459.033 ?       ?       805.251 32.647  0.000000       32.64750 
1 1 1 -7  2  21 o 686.410  22.535  4164.29    270.086 4247.68    467.878 4122.61    330.760 683.735 39.357  680.788 27.825  2.946838       48.19958 
1 1 1 -7  2  22 o 512.767  22.715  2323.11    203.378 2101.42    287.595 2544.89    287.645 482.901 34.332  533.104 31.036  -50.20340      46.28089 
1 1 1 -7  2  23 o 544.844  23.956  2624.48    227.899 2500.90    322.308 2748.04    322.287 526.969 35.232  553.285 33.519  -26.31659      48.62880 
1 1 1 -7  2  24 o 608.603  26.013  3278.91    276.429 3293.84    390.959 3263.98    390.900 604.602 37.215  601.758 37.388  2.844116       52.75229 
1 1 1 -7  2  25 o 98.074   10.986  85.216     18.489  96.328     31.991  79.643     22.657  103.176 18.434  94.289  14.202  8.886642       23.27073 
1 1 1 -7  2  26 o 891.851  28.949  7051.24    450.811 6847.27    552.103 7459.28    780.899 875.158 36.130  902.833 49.728  -27.67548      61.46773 
1 1 1 -7  2  27 o 524.779  18.862  2419.52    172.830 2400.50    211.655 2457.58    299.401 521.864 23.228  524.574 32.853  -2.710205      40.23524 
1 1 1 -7  2  28 f 418.177  16.075  1533.52    117.377 1456.07    143.726 1688.61    203.391 406.953 20.227  436.294 26.829  -29.34113      33.59921 
1 1 1 -7  2  29 o 307.351  13.602  827.280    72.999  789.947    89.401  901.965    126.449 299.577 17.163  319.231 22.836  -19.65378      28.56659 
1 1 1 -7  2  30 o 385.073  13.248  1298.32    89.077  1293.29    126.049 1303.34    125.898 383.761 18.811  385.261 18.716  -1.499359      26.53545 
1 1 1 -7  2  31 o 1111.71  30.578  10955.24   593.554 11387.68   839.426 10522.84   839.398 1125.39 42.719  1080.48 44.493  44.90686       61.68057 
1 1 1 -7  2  32 o 293.953  11.515  756.015    59.101  750.795    83.633  761.221    83.529  292.149 16.462  294.195 16.325  -2.045990      23.18405 
1 1 1 -7  2  33 o 429.054  16.344  1614.19    122.442 1504.49    211.971 1669.12    149.997 411.131 29.728  435.862 19.709  -24.73035      35.66830 
1 1 1 -7  2  34 o 788.492  26.094  5488.96    359.248 5230.36    622.169 5618.30    440.012 758.865 47.189  795.634 31.673  -36.76904      56.83252 
1 1 1 -7  2  35 o 50.770   13.230  23.403     11.846  -15.5151   21.951  39.394     14.071  34.914  15.987  65.983  12.674  -31.06859      20.40101 
1 1 1 -7  2  36 o 848.324  28.036  6366.96    415.274 6598.29    719.277 6251.29    508.605 851.185 48.597  837.609 34.776  13.57672       59.75842 
1 1 1 -7  2  37 o 402.766  15.922  1422.46    111.970 1352.40    194.047 1457.43    137.097 389.801 28.712  407.273 19.279  -17.47165      34.58422 
1 1 1 -7  2  38 o 668.171  19.499  3923.82    227.492 4020.77    321.759 3826.91    321.686 674.213 27.332  657.541 28.019  16.67200       39.14181 
1 1 1 -7  2  39 o 202.865  10.257  360.891    36.213  376.014    51.405  345.990    51.024  206.659 14.334  198.130 14.857  8.528900       20.64483 
1 1 1 -7  2  40 o 452.246  14.693  1792.73    116.023 1735.59    164.124 1849.82    164.037 444.029 21.169  458.529 20.489  -14.49939      29.46025 
1 1 1 -7  2  41 o 118.998  11.214  125.016    23.026  127.703    41.130  123.789    27.790  118.803 20.572  118.075 13.736  0.7280731      24.73644 
1 1 1 -7  2  42 o 154.113  11.317  208.990    30.241  263.249    53.683  183.768    36.601  172.155 18.131  144.030 14.762  28.12538       23.38100 
1 1 1 -7  2  43 o 421.877  16.074  1562.05    118.402 1479.09    205.407 1603.32    144.897 407.112 29.088  426.895 19.439  -19.78339      34.98519 
1 1 1 -7  2  44 o 887.191  28.784  6993.33    445.890 7132.88    772.428 6923.58    546.058 879.013 50.540  878.725 35.590  0.2874146      61.81323 
1 1 1 -7  2  45 o 229.770  10.705  462.096    42.948  531.385    60.823  393.195    60.652  245.747 14.236  210.929 16.602  34.81799       21.86987 
1 1 1 -7  2  46 f 308.610  12.115  834.360    65.281  857.043    92.078  811.435    92.567  311.806 16.976  303.270 17.556  8.536346       24.42155 
1 1 1 -7  2  47 o 128.979  11.889  146.973    26.475  124.641    36.543  171.642    38.408  117.618 18.397  138.847 16.144  -21.22884      24.47563 
1 1 1 -7  2  48 o 412.971  13.121  1495.74    94.611  1399.14    133.573 1593.00    134.030 398.377 19.203  425.323 18.048  -26.94556      26.35258 
1 1 1 -7  2  49 o 463.239  17.665  1890.14    142.882 1968.62    175.014 1733.29    247.422 471.830 21.243  437.882 32.594  33.94809       38.90581 
1 1 1 -7  2  50 o 294.451  16.760  765.909    85.814  745.876    120.852 786.283    121.872 288.734 24.194  296.636 23.728  -7.901855      33.88816 
1 1 1 -7  2  51 o 228.804  12.510  460.798    49.791  443.565    60.772  495.983    86.839  223.954 15.639  235.636 21.338  -11.68242      26.45532 
1 1 1 -7  2  52 o 344.074  14.339  1041.41    86.147  981.062    105.395 1162.89    149.530 332.710 18.211  360.444 23.894  -27.73419      30.04326 
1 1 1 -7  2  53 o 146.617  12.058  190.046    30.594  189.281    36.892  191.731    54.748  145.883 14.683  145.140 22.318  0.7428894      26.71479 
1 1 1 -7  2  54 o 372.671  14.919  1224.82    97.077  1167.59    118.773 1339.98    168.486 362.315 18.840  385.490 25.170  -23.17459      31.43951 
1 1 1 -7  2  55 o 151.809  12.155  203.978    31.948  188.367    38.795  236.875    56.316  145.202 15.543  161.828 20.383  -16.62552      25.63270 
1 1 1 -7  2  56 o 196.071  11.990  339.586    40.851  304.958    49.701  411.693    71.720  185.018 15.528  214.073 19.398  -29.05511      24.84768 
1 1 1 -7  2  57 o 253.767  10.790  566.329    47.808  488.365    67.408  645.237    67.815  233.936 16.611  269.723 14.452  -35.78720      22.01763 
1 1 1 -7  2  58 o 179.454  10.618  284.323    33.122  277.640    46.588  291.153    47.100  176.273 15.288  180.598 15.074  -4.325150      21.46958 
1 1 1 -7  2  59 f 190.415  10.245  320.003    33.937  288.222    47.690  352.607    48.303  179.450 15.368  199.006 13.990  -19.55573      20.78240 
1 1 1 -7  2  60 o 197.374  10.432  344.189    35.825  310.118    50.203  379.541    51.138  185.937 15.608  206.248 14.288  -20.31111      21.16016 
1 1 1 -7  2  61 o 257.930  13.207  591.827    59.278  588.020    101.676 593.787    72.961  252.212 23.353  257.100 16.337  -4.887482      28.50053 
1 1 1 -7  2  62 o 109.499  15.575  109.277    28.940  99.125     38.441  122.558    43.967  102.189 22.181  113.625 22.951  -11.43626      31.91775 
1 1 1 -7  2  63 o 133.712  15.936  162.673    36.473  182.666    52.306  143.751    50.884  139.318 22.251  122.276 24.684  17.04233       33.23223 
1 1 1 -7  2  64 o 143.620  12.584  184.976    31.239  211.541    55.258  172.498    37.872  150.005 21.730  137.507 16.077  12.49799       27.03113 
1 1 1 -7  2  65 o 104.271  13.946  99.026     24.754  81.316     42.598  108.056    30.417  91.006  25.686  108.102 16.649  -17.09612      30.60972 
1 1 1 -7  2  66 o 148.204  15.002  200.011    38.286  0.0000     0.0000  200.011    38.286  ?       ?       148.204 15.002  0.000000       15.00174 
1 1 1 -7  2  67 o 138.802  12.612  173.834    30.232  131.468    51.437  196.192    37.367  114.554 26.275  146.664 14.794  -32.11037      30.15355 
1 1 1 -7  2  68 o 159.189  10.891  226.809    30.091  222.823    42.247  230.913    42.869  155.726 15.754  158.585 15.688  -2.858749      22.23250 
1 1 1 -7  2  69 o 17.326   8.6196  -25.4254   10.237  -20.0508   13.102  -33.8494   16.403  22.717  10.967  23.220  11.434  -0.5037384     15.84365 
1 1 1 -7  2  70 o 142.061  10.931  181.427    26.907  165.930    37.291  198.256    38.862  133.479 16.342  146.524 15.421  -13.04466      22.46931 
1 1 1 -7  2  71 o 34.222   14.180  3.5850     13.869  5.7358     18.398  0.7542     21.106  39.664  16.375  39.482  16.976  0.1824989      23.58667 
1 1 1 -7  2  72 o 54.323   15.788  27.943     15.869  11.863     21.962  45.510     22.955  45.586  18.229  68.262  18.705  -22.67590      26.11823 
1 1 1 -7  2  73 o 94.180   17.820  85.847     28.230  117.253    41.122  57.852     38.825  107.578 22.610  75.483  25.150  32.09565       33.81886 
1 1 1 -7  3  1  o 326.131  11.837  932.753    67.406  968.726    95.344  896.806    95.308  331.667 16.464  318.542 17.199  13.12457       23.80906 
1 1 1 -7  3  2  o 512.211  16.185  2309.62    144.748 2247.02    204.701 2372.21    204.708 502.992 23.307  517.050 22.675  -14.05740      32.51736 
1 1 1 -7  3  3  o 197.804  10.224  343.626    35.192  364.557    49.789  322.731    49.748  203.225 14.119  191.005 15.038  12.22014       20.62738 
1 1 1 -7  3  4  o 458.855  15.009  1851.19    120.253 1785.08    170.053 1917.30    170.073 448.870 21.697  465.434 20.927  -16.56348      30.14488 
1 1 1 -7  3  5  o 496.214  18.006  2171.48    156.012 2191.64    270.277 2161.40    191.054 492.481 31.598  493.787 22.159  -1.305908      38.59326 
1 1 1 -7  3  6  o 540.009  19.326  2575.49    182.224 2615.89    315.696 2555.30    223.152 536.935 33.846  536.284 23.831  0.6504517      41.39439 
1 1 1 -7  3  7  o 276.645  12.907  671.607    62.344  645.660    108.050 684.557    76.332  268.749 23.255  278.513 15.761  -9.764343      28.09277 
1 1 1 -7  3  8  o 208.417  12.144  382.228    44.001  326.802    76.302  409.844    53.858  190.511 23.432  215.507 14.396  -24.99611      27.50059 
1 1 1 -7  3  9  o 206.839  10.039  374.663    36.257  364.743    51.292  384.569    51.258  203.228 14.551  208.768 14.145  -5.540543      20.29297 
1 1 1 -7  3  10 o 531.463  16.500  2486.40    153.113 2421.73    216.533 2551.08    216.536 522.206 23.748  536.205 23.128  -13.99847      33.14886 
1 1 1 -7  3  11 f 263.132  10.953  606.670    50.325  631.682    71.182  581.674    71.159  267.614 15.297  256.650 15.958  10.96442       22.10567 
1 1 1 -7  3  12 f 385.310  13.126  1302.83    88.310  1231.31    124.886 1374.35    124.891 373.010 19.240  394.831 18.116  -21.82126      26.42672 
1 1 1 -7  3  13 o 386.669  15.082  1314.05    101.824 1249.40    124.742 1443.15    176.271 375.821 19.072  402.072 25.236  -26.25043      31.63228 
1 1 1 -7  3  14 o 309.016  11.352  836.768    61.254  877.240    70.754  715.677    122.386 316.241 12.814  282.721 25.051  33.52039       28.13823 
1 1 1 -7  3  15 o 176.485  9.8812  273.513    30.327  252.099    35.037  337.492    60.561  169.177 11.938  194.928 17.996  -25.75124      21.59573 
1 1 1 -7  3  16 o 51.517   9.7966  24.001     8.4902  26.255     9.8044  17.245     16.977  53.800  10.812  47.237  16.605  6.562740       19.81450 
1 1 1 -7  3  17 o 463.463  14.567  1885.77    117.880 1864.22    136.140 1950.33    235.637 460.356 16.937  466.632 29.065  -6.275787      33.63951 
1 1 1 -7  3  18 o 685.413  20.102  4143.63    240.583 3929.77    277.825 4784.77    481.042 666.096 23.888  726.152 38.072  -60.05609      44.94566 
1 1 1 -7  3  19 o 844.686  23.498  6313.27    346.567 6442.31    490.217 6184.33    490.023 847.716 33.119  830.113 33.808  17.60266       47.32677 
1 1 1 -7  3  20 f 615.517  17.520  3331.47    188.299 3520.83    266.393 3142.38    266.196 630.724 24.189  595.376 25.606  35.34796       35.22499 
1 1 1 -7  3  21 o 200.473  9.9501  351.639    34.830  366.636    69.914  346.689    40.169  203.079 19.975  198.640 11.632  4.438828       23.11529 
1 1 1 -7  3  22 o 344.965  12.281  1042.18    73.972  1004.55    148.131 1054.68    85.379  336.033 25.435  346.854 14.097  -10.82196      29.08051 
1 1 1 -7  3  23 o 259.815  12.719  591.209    57.700  0.0000     0.0000  591.209    57.700  ?       ?       259.815 12.719  0.000000       12.71879 
1 1 1 -7  3  24 o 525.466  18.664  2426.48    171.246 0.0000     0.0000  2426.48    171.246 ?       ?       525.466 18.664  0.000000       18.66439 
1 1 1 -7  3  25 f 187.684  11.671  309.482    38.058  0.0000     0.0000  309.482    38.058  ?       ?       187.684 11.671  0.000000       11.67107 
1 1 1 -7  3  26 o 153.313  13.200  207.355    34.992  0.0000     0.0000  207.355    34.992  ?       ?       153.313 13.200  0.000000       13.20008 
1 1 1 -7  3  27 o 387.106  27.274  1331.50    183.173 0.0000     0.0000  1331.50    183.173 ?       ?       387.106 27.274  0.000000       27.27431 
1 1 1 -7  3  28 o 452.944  20.999  1804.68    166.073 1910.61    234.852 1698.73    234.873 463.558 29.164  436.469 31.021  27.08978       42.57740 
1 1 1 -7  3  29 o 793.665  32.141  5595.76    445.404 5257.52    629.871 5934.06    629.921 760.152 47.697  809.689 44.729  -49.53705      65.38923 
1 1 1 -7  3  30 o 154.567  11.314  210.141    30.324  213.314    52.451  208.548    37.164  154.547 19.899  153.671 14.004  0.8756256      24.33326 
1 1 1 -7  3  31 o 425.114  14.166  1583.13    105.152 1574.13    148.749 1592.12    148.666 423.174 20.131  425.604 20.005  -2.429565      28.38090 
1 1 1 -7  3  32 o 430.177  15.974  1622.60    119.983 1631.36    146.942 1605.07    207.835 430.876 19.531  425.019 28.165  5.857147       34.27481 
1 1 1 -7  3  33 o 577.809  20.062  2934.95    202.409 3010.94    247.891 2782.93    350.607 584.303 24.297  557.231 36.232  27.07202       43.62452 
1 1 1 -7  3  34 o 425.447  16.160  1587.45    120.049 1642.78    147.050 1476.88    207.871 432.354 19.479  407.216 29.433  25.13773       35.29523 
1 1 1 -7  3  35 o 427.717  16.350  1604.71    122.105 1660.40    149.568 1493.44    211.434 434.611 19.710  409.362 29.785  25.24942       35.71543 
1 1 1 -7  3  36 o 261.337  12.741  597.999    58.141  619.896    71.308  554.572    100.421 265.453 15.452  249.767 23.295  15.68539       27.95386 
1 1 1 -7  3  37 o 228.416  10.445  456.409    41.660  456.989    58.976  455.831    58.856  227.844 14.907  227.556 14.895  0.2884979      21.07291 
1 1 1 -7  3  38 o 382.238  13.301  1279.80    88.776  1340.12    125.563 1219.50    125.533 390.550 18.413  371.936 19.397  18.61429       26.74466 
1 1 1 -7  3  39 o 117.392  10.729  121.580    21.749  160.361    30.851  83.265     30.665  134.651 13.296  95.670  19.027  38.98080       23.21208 
1 1 1 -7  3  40 o 983.862  27.641  8579.06    474.841 9001.17    671.548 8157.01    671.504 1000.82 38.429  951.294 40.427  49.53046       55.77734 
1 1 1 -7  3  41 o 142.264  10.275  177.995    25.352  171.249    35.771  184.803    35.936  138.939 14.982  144.472 14.439  -5.532257      20.80734 
1 1 1 -7  3  42 o 444.022  14.543  1729.01    112.752 1722.65    159.371 1735.37    159.540 442.201 20.641  443.841 20.586  -1.640015      29.15211 
1 1 1 -7  3  43 o 124.243  11.783  136.386    25.257  146.868    30.948  115.483    43.702  128.672 14.001  112.350 23.051  16.32188       26.96953 
1 1 1 -7  3  44 o 271.069  13.190  644.094    62.428  649.851    76.489  632.607    108.043 271.523 16.207  266.490 23.459  5.033264       28.51280 
1 1 1 -7  3  45 o 240.738  15.690  511.142    65.590  515.546    93.367  506.852    92.162  240.506 22.495  238.474 22.396  2.031952       31.74236 
1 1 1 -7  3  46 o 286.619  16.870  724.948    84.054  713.658    119.942 735.843    117.827 282.693 24.543  287.298 23.700  -4.604797      34.11779 
1 1 1 -7  3  47 o 170.912  14.524  258.326    42.932  327.176    63.371  199.919    58.368  191.685 19.192  148.516 23.272  43.16881       30.16502 
1 1 1 -7  3  48 o 437.874  16.528  1687.46    126.369 1639.76    219.283 1711.18    154.628 426.933 29.599  440.089 20.123  -13.15622      35.79107 
1 1 1 -7  3  49 o 46.442   13.552  19.284     11.671  1.7853     15.886  39.805     17.204  35.941  15.057  65.975  15.241  -30.03433      21.42467 
1 1 1 -7  3  50 o 236.635  10.941  490.901    45.206  470.220    63.733  511.841    64.130  230.528 15.931  240.672 15.341  -10.14438      22.11651 
1 1 1 -7  3  51 o 446.873  14.236  1756.91    111.081 1676.52    156.999 1837.49    157.187 434.680 20.685  455.387 19.768  -20.70703      28.61255 
1 1 1 -7  3  52 o 207.119  10.417  377.176    37.553  381.405    53.040  372.925    53.176  207.555 14.731  205.181 14.945  2.374451       20.98515 
1 1 1 -7  3  53 o 200.510  10.160  353.595    35.456  358.271    50.126  348.913    50.159  201.105 14.370  198.405 14.581  2.699738       20.47167 
1 1 1 -7  3  54 o 116.644  12.575  121.116    25.206  109.863    46.466  125.809    30.005  108.354 25.059  118.474 14.829  -10.12050      29.11841 
1 1 1 -7  3  55 o 177.405  10.613  277.526    32.723  264.600    46.126  290.623    46.430  172.230 15.504  180.718 14.845  -8.487595      21.46548 
1 1 1 -7  3  56 o 337.771  12.461  1005.99    73.492  950.326    103.788 1061.96    104.079 325.952 18.310  345.478 17.254  -19.52570      25.15858 
1 1 1 -7  3  57 o 117.498  14.790  124.231    29.671  100.970    39.635  153.884    44.751  103.821 22.513  129.407 20.487  -25.58661      30.43946 
1 1 1 -7  3  58 o 262.140  15.947  614.020    72.646  560.595    101.539 670.041    103.977 246.957 23.844  271.057 22.163  -24.10042      32.55388 
1 1 1 -7  3  59 o 373.177  18.415  1251.58    119.991 1115.76    168.867 1390.09    170.531 344.795 28.299  387.692 25.331  -42.89716      37.97985 
1 1 1 -7  3  60 o 241.655  12.383  518.605    52.076  431.009    88.770  564.569    64.304  215.211 24.034  251.300 14.719  -36.08907      28.18279 
1 1 1 -7  3  61 o 86.009   12.267  66.859     17.900  66.158     25.376  67.552     25.254  84.171  17.821  85.135  17.571  -0.9639740     25.02706 
1 1 1 -7  3  62 o 56.307   15.212  29.378     15.310  26.710     21.003  32.403     22.365  55.460  18.498  59.947  19.025  -4.486187      26.53556 
1 1 1 -7  3  63 o 221.443  10.949  434.641    42.334  371.645    59.284  500.189    60.473  202.023 16.963  235.686 14.769  -33.66231      22.49209 
1 1 1 -7  3  64 o 78.888   13.287  57.070     17.652  64.306     24.034  48.596     26.009  82.740  17.197  71.535  20.029  11.20480       26.39885 
1 1 1 -7  3  65 o 150.554  10.942  202.471    28.567  165.228    39.776  242.143    41.053  133.547 17.477  163.362 14.544  -29.81477      22.73743 
1 1 1 -7  3  66 o 99.861   12.590  90.608     21.465  97.622     30.672  83.877     30.049  101.826 17.905  93.817  18.995  8.008774       26.10370 
1 1 1 -7  3  67 o 300.919  12.344  811.841    64.859  756.407    91.674  867.395    91.773  285.355 18.499  306.881 17.196  -21.52603      25.25715 
1 1 1 -7  3  68 o 125.741  14.078  144.778    30.378  140.030    53.113  147.087    37.034  117.188 26.569  125.269 17.401  -8.080582      31.76060 
1 1 1 -7  3  69 o 166.743  12.764  252.097    36.881  219.104    63.363  269.001    45.355  147.600 25.509  170.880 15.365  -23.28030      29.77905 
1 1 1 -7  3  70 o 56.570   19.117  29.034     22.432  24.156     28.642  36.775     36.079  55.966  21.251  65.039  24.026  -9.073647      32.07592 
1 1 1 -7  3  71 o 96.653   15.068  87.619     24.600  84.216     28.692  97.063     47.801  93.287  18.268  95.544  27.294  -2.257385      32.84356 
1 1 1 -7  3  72 o 69.720   19.638  48.120     24.926  48.120     24.926  0.0000     0.0000  69.720  19.638  ?       ?       0.000000       19.63797 
1 1 1 -7  4  1  o 108.626  10.304  104.297    19.309  124.238    23.696  64.889     33.312  118.467 11.605  84.041  22.323  34.42633       25.15947 
1 1 1 -7  4  2  o 591.329  20.647  3095.59    213.181 3017.29    261.111 3252.13    369.188 581.590 25.713  597.094 35.573  -15.50446      43.89247 
1 1 1 -7  4  3  o 163.877  11.191  236.501    31.831  256.183    39.007  197.268    55.071  170.312 13.221  147.613 22.042  22.69901       25.70296 
1 1 1 -7  4  4  o 523.925  22.997  2437.28    210.378 2546.84    297.653 2327.92    297.387 530.394 32.294  506.117 33.847  24.27695       46.78163 
1 1 1 -7  4  5  f 339.978  18.007  1022.26    106.514 997.030    150.785 1047.39    150.484 333.389 26.111  342.000 25.381  -8.610504      36.41429 
1 1 1 -7  4  6  o 175.624  12.365  271.887    37.675  367.649    53.639  178.649    52.928  203.925 15.173  140.299 22.356  63.62576       27.01853 
1 1 1 -7  4  7  o 293.973  16.672  763.292    85.224  761.750    120.680 764.828    120.369 291.918 23.885  292.542 23.770  -0.6234436     33.69788 
1 1 1 -7  4  8  o 187.992  11.190  310.793    36.564  336.231    44.853  260.401    63.129  195.289 13.232  170.173 21.743  25.11565       25.45270 
1 1 1 -7  4  9  o 564.635  19.742  2815.52    194.636 2806.03    238.418 2834.47    337.008 562.035 24.295  558.943 34.703  3.091797       42.36160 
1 1 1 -7  4  10 o 539.447  19.177  2567.72    180.629 2514.19    221.264 2674.67    312.746 532.273 23.807  544.007 33.082  -11.73419      40.75794 
1 1 1 -7  4  11 o 295.624  13.109  766.711    67.664  679.086    82.845  942.298    117.273 277.213 17.200  325.913 20.715  -48.69974      26.92552 
1 1 1 -7  4  12 o 670.241  22.297  3976.06    260.939 3792.94    319.608 4342.15    451.889 652.030 28.073  690.892 37.601  -38.86206      46.92444 
1 1 1 -7  4  13 o 424.465  19.045  1588.41    141.149 1307.55    199.535 1869.73    199.695 381.205 30.225  458.248 25.053  -77.04315      39.25828 
1 1 1 -7  4  14 o 534.833  22.174  2529.51    207.079 1993.76    292.801 3065.65    292.906 468.712 36.054  586.314 28.611  -117.6021      46.02665 
1 1 1 -7  4  15 o 260.966  12.442  596.905    56.693  630.009    69.486  530.990    98.050  267.463 14.939  243.874 23.310  23.58948       27.68616 
1 1 1 -7  4  16 o 611.706  21.595  3303.85    230.649 3074.93    282.527 3761.31    399.382 588.080 27.514  645.622 35.565  -57.54199      44.96589 
1 1 1 -7  4  17 o 121.863  10.928  131.047    23.007  136.538    28.270  120.279    39.590  124.108 13.250  115.149 20.440  8.959587       24.35881 
1 1 1 -7  4  18 o 740.788  30.642  4890.23    396.349 4890.23    396.349 0.0000     0.0000  740.788 30.642  ?       ?       0.000000       30.64226 
1 1 1 -7  4  19 o 202.995  21.084  366.905    73.640  366.905    73.640  0.0000     0.0000  202.995 21.084  ?       ?       0.000000       21.08383 
1 1 1 -7  4  20 f 407.405  28.157  1478.97    199.072 0.0000     0.0000  1478.97    199.072 ?       ?       407.405 28.157  0.000000       28.15750 
1 1 1 -7  4  21 o 746.241  29.066  4942.53    378.731 5329.97    535.794 4555.63    535.419 768.358 40.076  708.111 43.515  60.24756       59.15740 
1 1 1 -7  4  22 o 626.655  21.636  3459.12    236.742 3535.27    410.178 3421.08    289.902 626.861 37.649  621.756 26.703  5.104370       46.15781 
1 1 1 -7  4  23 o 346.053  14.237  1049.44    86.023  1152.79    149.223 998.004    105.277 360.709 23.827  336.618 17.977  24.09103       29.84772 
1 1 1 -7  4  24 o 450.576  17.057  1781.87    134.193 1764.45    232.576 1790.56    164.300 444.912 30.116  451.081 20.860  -6.169067      36.63483 
1 1 1 -7  4  25 o 310.449  13.430  844.166    72.798  832.500    126.376 849.959    89.059  306.337 23.814  310.830 16.468  -4.492889      28.95329 
1 1 1 -7  4  26 o 576.809  20.647  2926.79    207.948 2943.64    360.308 2918.38    254.637 572.933 36.203  574.874 25.368  -1.940674      44.20639 
1 1 1 -7  4  27 o 211.857  10.164  392.565    37.598  432.886    75.819  379.416    43.297  221.030 19.858  207.861 11.980  13.16864       23.19149 
1 1 1 -7  4  28 o 749.324  24.584  4954.46    321.645 0.0000     0.0000  4954.46    321.645 ?       ?       749.324 24.584  0.000000       24.58352 
1 1 1 -7  4  29 o 345.906  14.282  1048.38    86.258  925.432    149.248 1110.05    105.699 322.469 26.748  355.664 17.020  -33.19531      31.70440 
1 1 1 -7  4  30 o 520.970  18.191  2383.55    165.476 2055.82    286.456 2547.68    202.722 479.029 34.478  537.963 21.582  -58.93439      40.67593 
1 1 1 -7  4  31 o 366.609  14.415  1177.79    92.275  1205.91    113.050 1121.67    159.720 370.634 17.469  355.375 25.919  15.25928       31.25613 
1 1 1 -7  4  32 o 966.575  30.754  8298.05    519.047 8178.20    635.739 8537.66    898.903 955.211 38.117  962.499 53.701  -7.287720      65.85375 
1 1 1 -7  4  33 o 173.621  11.188  264.869    33.735  281.013    41.472  233.297    57.998  178.615 13.395  161.474 21.073  17.14044       24.97005 
1 1 1 -7  4  34 o 275.716  13.173  665.846    63.419  640.969    77.773  715.216    109.563 269.757 16.592  284.048 22.269  -14.29138      27.77072 
1 1 1 -7  4  35 o 178.464  9.5217  279.330    29.563  315.208    41.872  243.666    41.747  189.293 12.743  166.098 14.541  23.19475       19.33416 
1 1 1 -7  4  36 o 160.399  9.8100  225.876    27.343  218.102    38.553  233.745    38.785  157.111 14.207  162.747 13.778  -5.636627      19.79087 
1 1 1 -7  4  37 o 331.684  17.516  969.041    101.080 969.041    101.080 0.0000     0.0000  331.684 17.516  ?       ?       0.000000       17.51551 
1 1 1 -7  4  38 o 401.983  18.933  1421.20    132.886 1421.20    132.886 0.0000     0.0000  401.983 18.933  ?       ?       0.000000       18.93255 
1 1 1 -7  4  39 o 209.217  14.736  385.792    53.487  385.792    53.487  0.0000     0.0000  209.217 14.736  ?       ?       0.000000       14.73567 
1 1 1 -7  4  40 o 148.523  11.523  194.302    29.649  203.056    36.667  177.765    50.393  151.540 14.016  140.474 21.206  11.06654       25.41920 
1 1 1 -7  4  41 o 309.249  13.476  838.414    72.768  902.109    89.270  712.285    125.621 320.513 15.951  282.369 25.763  38.14429       30.30111 
1 1 1 -7  4  42 o 382.677  13.220  1283.86    88.336  1296.07    124.866 1271.63    124.984 383.701 18.638  380.033 18.835  3.668427       26.49769 
1 1 1 -7  4  43 o 525.826  15.954  2429.37    146.474 2361.87    207.089 2496.95    207.203 516.710 22.953  531.467 22.328  -14.75739      32.02213 
1 1 1 -7  4  44 o 567.557  17.282  2834.54    171.266 2823.93    242.123 2845.17    242.289 564.228 24.576  566.373 24.500  -2.145264      34.70241 
1 1 1 -7  4  45 o 589.390  16.899  3057.12    173.912 2825.24    245.824 3289.47    246.073 563.945 24.965  609.260 23.131  -45.31433      34.03357 
1 1 1 -7  4  46 o 299.805  11.741  787.963    61.462  764.693    86.643  811.534    87.201  294.215 16.937  303.203 16.534  -8.987640      23.66928 
1 1 1 -7  4  47 o 490.223  15.322  2113.98    131.154 1953.25    185.381 2275.05    185.580 469.139 22.631  506.896 20.968  -37.75732      30.85118 
1 1 1 -7  4  48 o 602.595  17.853  3205.43    187.848 3077.69    265.587 3333.29    265.728 586.905 25.916  611.332 24.894  -24.42621      35.93583 
1 1 1 -7  4  49 o 349.599  14.110  1075.08    86.132  1074.51    149.601 1075.36    105.343 345.936 24.934  348.991 17.287  -3.054413      30.34094 
1 1 1 -7  4  50 o 256.017  12.761  576.122    57.046  537.603    99.084  595.221    69.770  244.295 23.519  259.366 15.477  -15.07187      28.15476 
1 1 1 -7  4  51 o 33.948   13.179  6.3443     11.183  27.002     23.209  0.0973     12.763  57.222  19.445  31.365  13.335  25.85701       23.57804 
1 1 1 -7  4  52 o 213.054  12.188  400.575    45.152  350.262    77.206  426.727    55.663  196.450 22.940  219.419 14.612  -22.96878      27.19858 
1 1 1 -7  4  53 o 126.699  11.831  142.453    25.869  147.118    43.938  139.978    32.005  126.806 20.547  124.977 14.964  1.828949       25.41869 
1 1 1 -7  4  54 o 267.003  12.957  628.944    60.407  653.388    104.203 616.571    74.135  268.522 22.430  263.116 16.216  5.405945       27.67785 
1 1 1 -7  4  55 o 140.789  14.975  177.616    36.248  167.118    49.428  189.832    53.318  134.622 21.771  143.600 21.963  -8.978241      30.92450 
1 1 1 -7  4  56 o 242.845  10.912  519.537    46.272  542.009    65.384  496.990    65.492  246.537 15.264  235.790 16.002  10.74667       22.11472 
1 1 1 -7  4  57 o 30.796   12.385  3.9035     10.200  23.967     15.947  -9.9891    13.270  51.841  16.008  26.758  12.318  25.08259       20.19863 
1 1 1 -7  4  58 o 168.234  10.538  250.584    30.799  211.980    43.029  291.141    44.104  153.134 16.345  180.435 14.111  -27.30147      21.59386 
1 1 1 -7  4  59 o 122.894  11.003  134.509    23.361  133.082    33.184  135.911    32.893  120.893 16.122  122.296 15.771  -1.402885      22.55351 
1 1 1 -7  4  60 o 67.938   15.581  42.969     18.089  36.654     21.757  57.106     32.554  62.975  18.540  77.727  22.620  -14.75138      29.24698 
1 1 1 -7  4  61 o 253.982  13.325  576.934    58.886  560.623    72.028  609.809    102.255 248.683 16.685  255.133 23.208  -6.449265      28.58268 
1 1 1 -7  4  62 o 161.745  12.536  234.527    35.126  206.310    42.632  294.179    61.986  150.186 16.531  177.728 20.341  -27.54190      26.21115 
1 1 1 -7  4  63 o 102.636  13.945  96.151     24.343  88.543     29.491  112.418    43.124  97.048  18.069  107.368 23.642  -10.32014      29.75628 
1 1 1 -7  4  64 o 88.294   14.243  71.845     21.210  83.943     26.706  51.178     34.906  94.733  16.759  73.551  23.813  21.18154       29.11871 
1 1 1 -7  4  65 o 214.762  15.649  421.533    58.277  467.215    82.641  376.344    82.193  221.803 21.613  196.721 24.457  25.08171       32.63832 
1 1 1 -7  4  66 o 212.171  15.679  412.770    57.673  463.807    81.624  361.888    81.500  220.507 21.472  191.843 24.919  28.66484       32.89382 
1 1 1 -7  4  67 o 123.067  12.840  137.860    27.185  150.165    33.829  115.429    45.675  127.337 15.537  106.790 24.946  20.54708       29.38878 
1 1 1 -7  4  68 o 139.950  16.037  182.260    38.482  182.260    38.482  0.0000     0.0000  139.950 16.037  ?       ?       0.000000       16.03744 
1 1 1 -7  4  69 o 133.788  13.379  164.064    30.834  115.955    38.101  255.378    52.491  108.591 20.852  163.809 18.687  -55.21740      28.00024 
1 1 1 -7  4  70 o 85.650   15.598  69.625     22.468  49.390     28.068  105.714    37.485  70.540  21.129  102.813 21.569  -32.27296      30.19385 
1 1 1 -7  4  71 o 50.991   16.817  23.884     17.375  13.670     32.964  27.813     20.446  52.636  21.840  54.751  18.251  -2.114235      28.46208 
1 1 1 -7  5  1  o 386.705  14.985  1314.17    101.183 1310.83    175.075 1315.85    123.987 382.742 26.358  386.312 18.381  -3.569427      32.13417 
1 1 1 -7  5  2  o 451.356  16.170  1792.13    127.433 1665.26    220.483 1855.78    156.158 430.370 29.519  458.511 19.505  -28.14111      35.38123 
1 1 1 -7  5  3  o 210.286  9.9149  387.156    36.405  344.603    51.288  430.367    51.683  197.478 14.986  221.045 13.455  -23.56725      20.13979 
1 1 1 -7  5  4  o 217.566  9.6730  414.349    36.746  334.706    51.790  495.091    52.146  194.554 15.371  237.267 12.632  -42.71260      19.89563 
1 1 1 -7  5  5  o 401.222  14.982  1414.21    104.961 1390.35    181.810 1426.14    128.547 394.364 26.558  402.294 18.300  -7.930573      32.25243 
1 1 1 -7  5  6  o 50.706   11.951  23.440     10.408  35.661     17.365  16.590     13.001  62.502  15.880  44.395  14.542  18.10683       21.53246 
1 1 1 -7  5  7  o 265.382  11.331  616.971    52.507  693.731    90.913  578.552    64.318  279.974 18.705  256.314 14.430  23.65997       23.62406 
1 1 1 -7  5  8  o 625.617  18.102  3446.35    197.738 3200.79    279.587 3692.11    279.701 599.930 26.690  645.126 24.831  -45.19562      36.45449 
1 1 1 -7  5  9  o 274.048  10.374  657.468    49.642  531.768    70.106  783.878    70.303  245.415 16.455  298.957 13.468  -53.54167      21.26434 
1 1 1 -7  5  10 o 305.331  11.569  816.589    61.678  856.776    87.201  776.358    87.251  311.872 16.068  296.688 16.913  15.18329       23.32843 
1 1 1 -7  5  11 f 550.001  16.721  2658.66    160.579 2711.28    185.460 2501.06    320.957 554.844 19.143  526.440 35.118  28.40430       39.99711 
1 1 1 -7  5  12 o 173.631  9.4200  264.513    28.452  287.353    32.947  197.520    56.427  180.892 10.476  147.915 22.562  32.97678       24.87570 
1 1 1 -7  5  13 o 415.597  13.812  1514.39    100.226 1551.27    115.776 1404.10    200.215 420.353 15.774  396.254 29.142  24.09866       33.13709 
1 1 1 -7  5  14 o 483.807  15.400  2054.12    130.092 2054.33    150.258 2053.51    259.968 483.411 17.802  478.937 31.258  4.474243       35.97201 
1 1 1 -7  5  15 f 461.480  14.850  1868.02    119.656 1919.31    138.213 1714.56    239.075 467.443 16.934  437.476 31.509  29.96713       35.77114 
1 1 1 -7  5  16 o 277.976  12.563  676.838    60.975  676.838    60.975  0.0000     0.0000  277.976 12.563  ?       ?       0.000000       12.56270 
1 1 1 -7  5  17 o 396.891  19.348  1385.80    134.085 1385.80    134.085 0.0000     0.0000  396.891 19.348  ?       ?       0.000000       19.34849 
1 1 1 -7  5  18 o 354.923  18.259  1110.00    112.773 1110.00    112.773 0.0000     0.0000  354.923 18.259  ?       ?       0.000000       18.25929 
1 1 1 -7  5  19 o 201.078  14.527  356.280    50.660  356.280    50.660  0.0000     0.0000  201.078 14.527  ?       ?       0.000000       14.52683 
1 1 1 -7  5  20 o 117.983  13.390  123.506    27.096  151.674    38.630  96.228     38.015  130.288 17.417  102.592 21.889  27.69539       27.97264 
1 1 1 -7  5  21 o 682.876  28.489  4134.69    339.686 4358.69    480.413 3910.73    480.364 695.066 39.750  656.974 42.097  38.09137       57.89803 
1 1 1 -7  5  22 o 441.231  20.536  1713.32    158.212 1821.31    223.794 1605.44    223.696 452.412 28.476  424.073 30.412  28.33841       41.66245 
1 1 1 -7  5  23 o 572.708  24.795  2896.86    247.948 2936.72    350.678 2857.01    350.624 572.270 35.267  564.207 35.776  8.062927       50.23621 
1 1 1 -7  5  24 o 573.921  24.841  2909.19    248.931 2939.75    352.065 2878.65    352.018 572.528 35.391  566.361 35.781  6.166077       50.32692 
1 1 1 -7  5  25 o 160.105  13.923  226.291    38.536  246.260    54.765  206.706    54.235  166.287 19.216  151.834 21.021  14.45256       28.48028 
1 1 1 -7  5  26 o 565.907  24.554  2827.95    242.625 2775.98    343.053 2879.97    343.194 556.209 35.508  566.851 34.843  -10.64185      49.74831 
1 1 1 -7  5  27 o 385.599  18.818  1306.90    126.700 1239.20    178.924 1374.98    179.438 373.046 27.666  393.420 26.272  -20.37408      38.15309 
1 1 1 -7  5  28 o 450.595  20.783  1787.38    163.512 1704.68    231.090 1870.30    231.393 436.969 30.479  458.245 29.070  -21.27588      42.11906 
1 1 1 -7  5  29 o 586.831  36.487  3095.57    372.016 3095.57    372.016 0.0000     0.0000  586.831 36.487  ?       ?       0.000000       36.48732 
1 1 1 -7  5  30 o 348.579  25.885  1080.50    156.424 1080.50    156.424 0.0000     0.0000  348.579 25.885  ?       ?       0.000000       25.88521 
1 1 1 -7  5  31 o 216.029  15.724  411.586    58.904  355.425    83.700  466.692    82.911  199.116 24.597  229.272 20.942  -30.15642      32.30496 
1 1 1 -7  5  32 o 345.984  19.035  1055.88    114.552 903.683    162.259 1207.12    161.745 317.610 29.599  368.620 25.283  -51.00967      38.92732 
1 1 1 -7  5  33 o 324.233  16.674  925.492    94.078  827.003    132.923 1024.35    133.170 304.775 25.204  340.022 22.559  -35.24716      33.82509 
1 1 1 -7  5  34 o 453.631  20.456  1812.48    162.029 1589.53    229.077 2035.69    229.209 421.232 31.370  478.286 27.563  -57.05502      41.75905 
1 1 1 -7  5  35 o 326.133  13.707  932.371    78.056  838.765    134.654 979.744    95.793  306.820 25.362  334.020 16.425  -27.19958      30.21600 
1 1 1 -7  5  36 o 327.165  13.688  938.377    78.190  897.952    95.786  1019.11    135.365 319.194 17.250  338.910 23.011  -19.71689      28.75933 
1 1 1 -7  5  37 o 122.628  11.238  132.762    23.795  125.840    29.237  146.342    40.950  118.924 14.371  127.590 18.958  -8.665642      23.78927 
1 1 1 -7  5  38 o 445.574  16.557  1744.61    128.816 1674.40    157.825 1884.72    222.949 435.712 20.745  459.587 27.915  -23.87482      34.77930 
1 1 1 -7  5  39 o 365.059  14.782  1169.77    94.222  1247.89    115.496 1014.32    162.923 376.635 17.562  336.519 27.981  40.11584       33.03600 
1 1 1 -7  5  40 f 484.743  17.361  2067.39    146.940 1983.37    179.746 2236.66    255.127 473.756 21.729  499.818 29.363  -26.06201      36.52822 
1 1 1 -7  5  41 o 890.607  28.335  7075.07    440.621 6870.90    539.545 7483.89    763.469 872.466 35.417  896.177 48.976  -23.71191      60.44030 
1 1 1 -7  5  42 o 280.106  13.007  688.276    63.617  643.466    77.383  781.705    111.738 269.950 16.497  296.481 21.736  -26.53143      27.28713 
1 1 1 -7  5  43 o 329.194  12.930  950.856    74.319  841.206    90.360  1180.11    130.657 308.650 16.830  364.779 20.598  -56.12988      26.59936 
1 1 1 -7  5  44 o 186.243  10.561  304.873    34.202  296.711    48.078  313.236    48.666  183.064 15.178  188.167 14.935  -5.103088      21.29387 
1 1 1 -7  5  45 o 58.883   12.772  31.611     12.754  23.668     17.562  40.473     18.552  52.499  16.880  66.478  16.144  -13.97820      23.35666 
1 1 1 -7  5  46 o 20.482   9.2439  -3.7997    7.0171  1.6798     9.1253  -11.7281   10.977  27.777  11.505  22.910  10.764  4.866682       15.75532 
1 1 1 -7  5  47 o 128.457  11.738  146.044    26.037  174.893    43.867  130.353    32.352  139.421 18.475  120.607 15.738  18.81479       24.26891 
1 1 1 -7  5  48 o 212.691  11.999  398.678    44.378  364.617    75.793  416.448    54.744  201.131 21.938  216.926 14.537  -15.79512      26.31699 
1 1 1 -7  5  49 o 112.457  12.219  112.488    23.607  125.329    39.864  105.552    29.296  117.087 20.230  108.167 15.994  8.920464       25.78896 
1 1 1 -7  5  50 o 71.567   13.610  46.622     16.386  55.138     27.014  41.665     20.610  77.218  19.908  67.291  17.409  9.927124       26.44653 
1 1 1 -7  5  51 o 242.120  10.838  515.321    45.819  516.555    64.669  514.078    64.928  241.088 15.444  240.479 15.546  0.6090851      21.91331 
1 1 1 -7  5  52 o 272.723  12.991  656.455    61.864  622.776    107.297 673.226    75.717  261.381 23.770  275.031 15.834  -13.64996      28.56065 
1 1 1 -7  5  53 o 317.168  13.883  890.339    76.886  746.322    133.250 962.218    94.138  283.864 27.218  328.841 16.395  -44.97678      31.77418 
1 1 1 -7  5  54 o 289.542  13.426  742.254    67.876  662.186    117.548 782.306    83.137  267.665 25.458  295.919 16.151  -28.25409      30.14916 
1 1 1 -7  5  55 o 14.628   7.2418  -16.0003   6.8892  -12.3630   10.245  -19.0031   9.3082  21.490  10.187  17.731  8.7082  3.758457       13.40212 
1 1 1 -7  5  56 o 296.559  11.711  777.782    60.640  708.135    85.594  847.964    85.922  280.225 17.583  307.533 16.057  -27.30746      23.81098 
1 1 1 -7  5  57 f 67.121   13.046  41.337     14.739  52.572     20.957  30.340     20.734  75.168  16.426  58.134  18.303  17.03411       24.59359 
1 1 1 -7  5  58 o 291.007  11.649  750.754    59.191  763.435    83.756  738.102    83.662  290.777 16.565  285.737 16.843  5.039459       23.62404 
1 1 1 -7  5  59 o 77.322   12.193  54.378     15.916  44.449     21.886  65.523     23.188  68.726  18.018  83.906  16.415  -15.18034      24.37417 
1 1 1 -7  5  60 o 159.125  10.356  225.190    28.616  219.918    40.453  230.471    40.486  155.666 15.072  159.532 14.700  -3.865936      21.05320 
1 1 1 -7  5  61 o 184.263  12.592  304.685    40.269  321.114    49.573  272.812    69.047  188.029 15.230  168.375 24.180  19.65338       28.57653 
1 1 1 -7  5  62 o 42.263   16.084  11.960     16.429  11.960     16.429  0.0000     0.0000  42.263  16.084  ?       ?       0.000000       16.08368 
1 1 1 -7  5  63 o 67.006   20.504  42.614     26.229  42.614     26.229  0.0000     0.0000  67.006  20.504  ?       ?       0.000000       20.50385 
1 1 1 -7  5  64 o 150.808  21.706  219.135    55.511  219.135    55.511  0.0000     0.0000  150.808 21.706  ?       ?       0.000000       21.70621 
1 1 1 -7  5  65 o 179.025  15.927  295.929    49.265  233.825    69.330  359.273    70.018  151.408 27.225  193.626 21.049  -42.21759      34.41360 
1 1 1 -7  5  66 o 143.118  12.721  186.305    31.457  143.462    55.409  206.682    38.212  117.134 27.553  149.762 14.807  -32.62796      31.27952 
1 1 1 -7  5  67 o 79.772   15.734  60.450     21.137  38.336     37.722  70.571     25.519  66.072  24.535  85.561  17.667  -19.48898      30.23386 
1 1 1 -7  5  68 o 133.094  12.913  162.320    29.631  154.023    52.756  166.143    35.814  121.754 25.627  133.208 15.699  -11.45432      30.05319 
1 1 1 -7  5  69 o 37.943   14.292  10.325     12.891  3.4377     18.009  17.561     18.459  37.848  15.953  46.752  17.200  -8.903881      23.45927 
1 1 1 -7  6  1  o 617.679  21.257  3367.76    229.264 3093.36    396.860 3505.21    280.874 583.200 39.200  628.613 25.590  -45.41272      46.81326 
1 1 1 -7  6  2  o 224.071  11.635  440.948    45.365  370.020    77.867  477.393    55.816  203.478 22.281  232.901 13.787  -29.42363      26.20128 
1 1 1 -7  6  3  o 489.763  17.032  2108.76    145.652 1783.16    251.850 2272.40    178.538 445.167 32.628  507.710 20.140  -62.54315      38.34323 
1 1 1 -7  6  4  o 571.228  17.296  2869.04    172.513 2686.42    243.909 3051.85    244.033 550.508 25.375  587.292 23.798  -36.78412      34.78788 
1 1 1 -7  6  5  o 216.310  10.299  409.516    38.900  371.627    54.883  447.767    55.145  205.172 15.433  225.510 14.075  -20.33846      20.88748 
1 1 1 -7  6  6  o 377.268  13.030  1247.53    85.835  1132.46    121.307 1362.91    121.470 358.060 19.476  393.677 17.671  -35.61664      26.29822 
1 1 1 -7  6  7  o 437.701  16.980  1683.68    129.769 1422.19    224.716 1814.51    158.951 397.519 32.664  453.798 20.060  -56.27838      38.33224 
1 1 1 -7  6  8  o 146.580  11.193  189.201    28.431  222.389    49.091  172.451    34.875  158.004 18.121  139.466 14.535  18.53802       23.23049 
1 1 1 -7  6  9  o 167.678  11.758  247.422    34.207  228.504    42.041  284.483    58.843  160.665 15.166  178.784 19.147  -18.11966      24.42583 
1 1 1 -7  6  10 o 235.154  12.462  485.772    50.986  485.884    62.568  485.552    87.965  234.807 15.345  233.620 21.817  1.187897       26.67306 
1 1 1 -7  6  11 o 266.881  10.942  623.460    50.988  646.816    58.948  554.072    101.604 271.731 12.424  249.326 23.621  22.40553       26.68889 
1 1 1 -7  6  12 o 107.696  11.063  102.590    20.508  105.540    25.587  97.290     34.293  108.871 13.768  103.447 19.705  5.424065       24.03833 
1 1 1 -7  6  13 o 218.405  10.242  417.380    39.057  433.406    45.229  370.385    77.452  222.177 11.700  203.747 22.127  18.43011       25.02976 
1 1 1 -7  6  14 o 134.997  9.0327  160.091    21.169  171.111    24.641  129.044    41.359  139.475 10.189  119.390 20.583  20.08517       22.96666 
1 1 1 -7  6  15 o 163.957  9.0591  235.808    25.834  250.948    30.020  192.590    50.719  169.049 10.218  146.521 20.376  22.52803       22.79491 
1 1 1 -7  6  16 o 318.134  12.185  886.328    67.684  872.036    78.246  928.802    134.892 315.384 14.209  323.366 24.063  -7.981781      27.94498 
1 1 1 -7  6  17 o 222.287  12.296  434.047    47.540  434.047    47.540  0.0000     0.0000  222.287 12.296  ?       ?       0.000000       12.29634 
1 1 1 -7  6  18 o 801.514  20.585  5657.72    288.091 5657.72    288.091 0.0000     0.0000  801.514 20.585  ?       ?       0.000000       20.58520 
1 1 1 -7  6  19 o 139.095  20.382  173.872    48.034  173.872    48.034  0.0000     0.0000  139.095 20.382  ?       ?       0.000000       20.38223 
1 1 1 -7  6  20 o 381.299  27.168  1294.83    179.697 1294.83    179.697 0.0000     0.0000  381.299 27.168  ?       ?       0.000000       27.16822 
1 1 1 -7  6  21 o 637.939  39.109  3677.68    433.530 3677.68    433.530 0.0000     0.0000  637.939 39.109  ?       ?       0.000000       39.10915 
1 1 1 -7  6  22 o 362.219  26.410  1167.93    165.884 1167.93    165.884 0.0000     0.0000  362.219 26.410  ?       ?       0.000000       26.41032 
1 1 1 -7  6  23 o 575.988  36.011  2985.48    360.350 2985.48    360.350 0.0000     0.0000  575.988 36.011  ?       ?       0.000000       36.01093 
1 1 1 -7  6  24 o 194.128  21.081  335.882    70.308  335.882    70.308  0.0000     0.0000  194.128 21.081  ?       ?       0.000000       21.08092 
1 1 1 -7  6  25 o 517.882  33.232  2405.46    298.916 2405.46    298.916 0.0000     0.0000  517.882 33.232  ?       ?       0.000000       33.23178 
1 1 1 -7  6  26 o 572.560  35.868  2951.32    356.777 2951.32    356.777 0.0000     0.0000  572.560 35.868  ?       ?       0.000000       35.86828 
1 1 1 -7  6  27 o 442.725  20.546  1726.84    158.824 1635.69    224.437 1818.28    224.784 427.624 30.254  451.508 28.661  -23.88446      41.67456 
1 1 1 -7  6  28 o 226.013  15.324  450.288    60.117  445.324    84.747  455.315    85.293  223.626 21.988  226.166 21.872  -2.539627      31.01356 
1 1 1 -7  6  29 o 431.478  20.028  1639.90    150.889 1476.66    213.183 1803.77    213.595 406.079 30.284  450.028 27.312  -43.94958      40.78049 
1 1 1 -7  6  30 o 250.619  15.641  553.505    68.104  522.519    95.750  585.230    96.886  242.163 22.917  256.628 21.829  -14.46483      31.65010 
1 1 1 -7  6  31 o 308.307  16.860  837.750    90.417  761.519    127.564 914.711    128.175 292.152 25.255  320.930 23.026  -28.77737      34.17653 
1 1 1 -7  6  32 o 361.900  18.495  1155.61    116.479 1143.12    164.482 1168.18    164.973 357.956 26.505  361.942 26.283  -3.986328      37.32720 
1 1 1 -7  6  33 o 493.422  21.913  2150.31    188.792 1922.54    266.785 2378.79    267.198 461.994 33.295  515.656 29.803  -53.66174      44.68583 
1 1 1 -7  6  34 o 85.762   16.437  66.785     23.718  81.661     32.270  49.307     34.978  94.473  20.176  75.169  23.785  19.30349       31.18998 
1 1 1 -7  6  35 f 282.415  16.618  703.650    81.584  682.642    115.074 724.881    115.683 276.571 24.069  285.217 23.436  -8.645569      33.59427 
1 1 1 -7  6  36 o 337.182  11.603  996.138    68.310  1057.77    118.719 965.634    83.521  345.738 19.748  331.656 14.423  14.08240       24.45358 
1 1 1 -7  6  37 o 195.966  10.442  337.230    35.601  330.169    50.072  344.450    50.627  193.303 14.951  197.488 14.789  -4.185455      21.02998 
1 1 1 -7  6  38 o 441.072  16.005  1711.05    123.264 1503.46    212.745 1815.95    151.236 408.665 30.025  453.686 19.091  -45.02039      35.58045 
1 1 1 -7  6  39 o 441.036  16.095  1711.52    123.947 1647.68    213.664 1743.90    152.168 428.204 28.744  444.349 19.613  -16.14514      34.79737 
1 1 1 -7  6  40 o 403.485  14.947  1431.44    105.307 1085.42    181.126 1608.13    129.430 346.372 30.252  427.136 17.354  -80.76358      34.87635 
1 1 1 -7  6  41 o 580.009  25.338  3000.75    256.604 3037.03    362.769 2964.42    363.018 576.157 36.245  568.844 36.745  7.313232       51.61288 
1 1 1 -7  6  42 o 372.572  18.625  1227.01    121.164 1183.32    171.149 1270.90    171.554 362.402 27.247  376.034 26.294  -13.63217      37.86479 
1 1 1 -7  6  43 o 159.936  20.721  230.591    56.506  230.591    56.506  0.0000     0.0000  159.936 20.721  ?       ?       0.000000       20.72122 
1 1 1 -7  6  44 o 213.927  21.663  411.204    79.804  411.204    79.804  0.0000     0.0000  213.927 21.663  ?       ?       0.000000       21.66337 
1 1 1 -7  6  45 o 113.397  12.622  114.434    24.567  115.997    29.399  110.816    44.725  113.704 15.187  109.208 24.101  4.495728       28.48684 
1 1 1 -7  6  46 o 234.779  10.921  484.059    44.770  506.890    63.120  460.946    63.509  239.132 15.196  227.786 16.071  11.34662       22.11778 
1 1 1 -7  6  47 o 148.630  10.139  194.817    26.154  183.064    36.439  207.305    37.562  143.229 14.783  152.616 14.261  -9.387177      20.54066 
1 1 1 -7  6  48 o 223.605  10.598  439.417    41.379  388.503    58.193  491.485    58.849  208.763 16.089  235.404 14.386  -26.64046      21.58258 
1 1 1 -7  6  49 o 369.135  15.042  1207.08    96.949  1122.78    167.993 1249.18    118.712 349.029 27.796  374.277 18.165  -25.24802      33.20520 
1 1 1 -7  6  50 o 96.722   10.579  83.281     17.574  78.022     24.141  89.210     25.634  92.561  15.484  99.165  15.296  -6.604088      21.76516 
1 1 1 -7  6  51 o 145.827  10.410  188.154    26.331  185.157    36.614  191.364    37.895  143.685 14.806  146.026 15.080  -2.341141      21.13338 
1 1 1 -7  6  52 o 112.585  10.823  112.762    21.013  107.256    28.855  118.979    30.661  108.667 15.660  114.535 15.748  -5.868553      22.20892 
1 1 1 -7  6  53 o 226.666  10.656  453.300    42.173  389.037    59.032  520.284    60.269  207.906 16.395  241.403 14.363  -33.49763      21.79644 
1 1 1 -7  6  54 f 172.090  12.177  263.712    36.355  262.096    63.061  264.516    44.493  167.939 22.037  171.493 15.010  -3.553894      26.66352 
1 1 1 -7  6  55 o 77.911   14.599  55.901     19.130  70.018     32.265  48.247     23.757  85.738  21.571  71.639  18.768  14.09858       28.59232 
1 1 1 -7  6  56 o 159.928  15.039  231.280    41.503  231.391    58.922  231.172    58.468  156.941 22.115  156.953 21.934  -0.1130676E-01 31.14769 
1 1 1 -7  6  57 f 79.050   13.336  57.261     17.752  52.514     21.400  67.738     31.789  74.782  16.799  83.968  21.568  -9.185608      27.33865 
1 1 1 -7  6  58 o 111.244  15.126  113.425    28.619  113.425    28.619  0.0000     0.0000  111.244 15.126  ?       ?       0.000000       15.12612 
1 1 1 -7  6  59 o 106.162  14.782  103.487    26.658  103.487    26.658  0.0000     0.0000  106.162 14.782  ?       ?       0.000000       14.78207 
1 1 1 -7  6  60 o 114.826  11.861  119.007    23.438  91.445     27.864  185.697    43.342  98.847  16.742  141.072 18.006  -42.22517      24.58666 
1 1 1 -7  6  61 o 82.094   11.826  61.471     16.463  44.806     22.323  81.342     24.376  68.364  18.327  93.421  15.486  -25.05650      23.99360 
1 1 1 -7  6  62 o 116.131  13.679  123.532    27.205  129.306    48.152  120.824    32.972  113.193 25.028  113.346 17.200  -0.1527176     30.36847 
1 1 1 -7  6  63 o 194.181  13.043  342.281    43.967  266.829    77.131  378.598    53.512  160.293 28.608  202.890 15.216  -42.59776      32.40268 
1 1 1 -7  6  64 o 132.585  13.264  160.889    30.294  171.921    54.062  155.840    36.575  130.313 24.663  128.805 16.652  1.508469       29.75849 
1 1 1 -7  6  65 o 102.772  12.662  97.003     22.241  75.946     26.607  145.844    40.522  88.656  17.806  122.632 19.583  -33.97638      26.46823 
1 1 1 -7  6  66 o 43.355   15.095  16.013     14.015  23.233     16.079  -6.8139    28.591  50.182  16.153  42.289  18.906  7.893913       24.86643 
1 1 1 -7  6  67 o 41.670   14.854  14.349     13.630  12.190     15.555  21.487     28.282  41.215  15.659  53.749  20.932  -12.53444      26.14092 
1 1 1 -7  6  68 o 77.466   13.388  56.494     17.454  58.360     23.016  53.968     26.774  77.003  17.514  72.992  20.280  4.011284       26.79592 
1 1 1 -7  7  1  o 505.100  17.759  2244.87    156.624 2063.31    271.035 2335.90    191.911 478.810 32.613  514.341 21.369  -35.53012      38.99058 
1 1 1 -7  7  2  o 584.504  24.069  3025.44    245.643 0.0000     0.0000  3025.44    245.643 ?       ?       584.504 24.069  0.000000       24.06877 
1 1 1 -7  7  3  o 229.886  11.733  464.131    46.940  535.444    81.067  428.163    57.573  245.843 19.034  220.339 15.055  25.50439       24.26766 
1 1 1 -7  7  4  o 572.307  19.786  2886.77    197.724 2855.54    342.298 2902.41    242.221 562.580 35.020  572.506 24.231  -9.926025      42.58564 
1 1 1 -7  7  5  o 180.399  10.254  285.757    32.165  313.434    55.420  271.699    39.498  188.060 17.063  175.581 12.976  12.47916       21.43631 
1 1 1 -7  7  6  o 948.273  30.728  8028.64    508.787 8320.80    881.116 7882.49    623.180 942.873 53.743  933.958 38.214  8.915161       65.94389 
1 1 1 -7  7  7  o 367.795  18.620  1193.73    119.186 1257.30    168.549 1130.16    168.561 375.659 25.854  355.636 27.355  20.02319       37.63891 
1 1 1 -7  7  8  o 775.838  26.074  5339.83    353.217 5244.45    432.628 5530.50    611.714 765.599 32.363  776.071 45.340  -10.47137      55.70502 
1 1 1 -7  7  9  o 61.036   14.597  33.998     15.346  37.132     22.477  31.261     21.003  64.371  18.814  59.646  18.364  4.724766       26.29042 
1 1 1 -7  7  10 o 474.711  20.498  1986.84    169.906 2240.84    240.515 1733.83    240.053 501.441 27.576  439.495 31.490  61.94681       41.85787 
1 1 1 -7  7  11 o 472.477  21.450  1969.96    176.961 2007.55    250.467 1932.50    250.056 473.490 30.457  464.302 31.023  9.188080       43.47455 
1 1 1 -7  7  12 o 283.621  12.629  704.898    62.542  752.250    76.743  611.253    107.922 292.378 15.084  261.822 23.869  30.55560       28.23593 
1 1 1 -7  7  13 o 207.100  11.101  376.595    39.997  416.813    49.183  298.065    68.727  217.688 12.999  182.467 22.016  35.22067       25.56747 
1 1 1 -7  7  14 o 530.037  18.391  2472.09    170.210 2586.88    208.543 2243.03    294.588 541.272 22.066  499.114 34.005  42.15857       40.53722 
1 1 1 -7  7  15 o 301.047  13.221  794.456    69.497  820.483    85.241  742.857    120.022 305.230 16.050  288.803 24.019  16.42670       28.88806 
1 1 1 -7  7  16 o 144.854  9.6473  184.395    24.261  187.787    28.230  174.809    47.452  146.026 11.156  139.460 20.064  6.565460       22.95733 
1 1 1 -7  7  17 o 264.394  11.143  612.069    51.442  624.053    59.517  576.671    102.287 266.848 12.774  254.370 23.288  12.47784       26.56150 
1 1 1 -7  7  18 o 302.720  10.574  802.149    55.890  877.135    64.667  580.774    111.110 316.459 11.703  254.811 25.308  61.64868       27.88293 
1 1 1 -7  7  19 o 367.914  19.206  1195.20    122.950 1195.20    122.950 0.0000     0.0000  367.914 19.206  ?       ?       0.000000       19.20553 
1 1 1 -7  7  20 o 493.652  16.797  2141.77    144.786 2072.52    177.141 2281.14    251.301 484.716 20.930  505.525 28.587  -20.80923      35.43012 
1 1 1 -7  7  21 o 215.284  14.781  408.628    55.225  358.265    77.462  460.685    78.754  200.141 22.560  227.775 20.004  -27.63454      30.15140 
1 1 1 -7  7  22 o 575.707  24.724  2936.18    248.533 2770.80    351.306 3101.89    351.652 553.431 36.561  586.804 34.472  -33.37305      50.24948 
1 1 1 -7  7  23 o 179.070  14.188  283.054    43.997  234.472    61.418  334.266    63.058  161.418 22.394  193.943 18.860  -32.52489      29.27783 
1 1 1 -7  7  24 o 233.800  14.901  481.748    60.516  397.905    84.962  568.086    86.217  210.812 23.481  253.145 19.660  -42.33295      30.62424 
1 1 1 -7  7  25 o 112.078  14.510  112.054    27.730  97.123     38.317  128.474    40.181  102.941 21.986  119.138 20.026  -16.19707      29.73905 
1 1 1 -7  7  26 o 860.737  34.935  6668.07    525.041 6300.57    742.415 7035.79    742.625 820.462 52.093  870.432 49.062  -49.96973      71.55991 
1 1 1 -7  7  27 o 237.917  15.384  499.229    63.565  457.015    89.409  542.373    90.387  226.148 22.961  246.950 21.167  -20.80240      31.22876 
1 1 1 -7  7  28 o 343.212  17.792  1039.66    106.257 960.959    149.946 1119.04    150.595 327.769 26.425  354.432 24.484  -26.66281      36.02410 
1 1 1 -7  7  29 o 404.672  19.624  1444.48    138.663 1415.53    195.898 1473.55    196.302 397.424 28.418  405.719 27.879  -8.294922      39.80969 
1 1 1 -7  7  30 o 251.353  15.682  557.422    68.483  497.799    96.230  618.604    97.481  235.840 23.689  263.705 21.354  -27.86421      31.89291 
1 1 1 -7  7  31 o 594.381  25.404  3140.76    263.651 2942.78    372.620 3339.26    373.098 568.098 37.780  606.869 35.363  -38.77112      51.74839 
1 1 1 -7  7  32 o 304.756  16.707  819.852    88.562  694.398    124.577 948.032    125.924 278.164 25.949  326.458 22.223  -48.29367      34.16457 
1 1 1 -7  7  33 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -7  7  34 o 290.341  24.437  754.720    122.731 0.0000     0.0000  754.720    122.731 ?       ?       290.341 24.437  0.000000       24.43654 
1 1 1 -7  7  35 o 71.412   25.070  40.390     38.694  0.0000     0.0000  40.390     38.694  ?       ?       71.412  25.070  0.000000       25.06996 
1 1 1 -7  7  36 o 564.446  36.159  2915.81    354.501 0.0000     0.0000  2915.81    354.501 ?       ?       564.446 36.159  0.000000       36.15947 
1 1 1 -7  7  37 o 415.349  29.222  1559.19    210.575 0.0000     0.0000  1559.19    210.575 ?       ?       415.349 29.222  0.000000       29.22179 
1 1 1 -7  7  38 o 187.834  12.903  311.397    42.061  0.0000     0.0000  311.397    42.061  ?       ?       187.834 12.903  0.000000       12.90296 
1 1 1 -7  7  39 o 430.040  13.678  1626.71    102.707 1544.81    145.081 1708.98    145.418 417.335 19.910  439.271 18.959  -21.93652      27.49276 
1 1 1 -7  7  40 o 323.745  11.725  920.430    66.282  926.788    93.521  914.014    93.953  323.497 16.613  321.199 16.811  2.297852       23.63453 
1 1 1 -7  7  41 o ?        ?       -16.8711   1.8875  -12.2872   2.6229  -21.7946   2.7183  ?       ?       ?       ?       0.000000       ?        
1 1 1 -7  7  42 f 228.083  10.285  456.560    40.958  475.184    57.696  437.639    58.155  231.688 14.332  222.144 15.082  9.544174       20.80607 
1 1 1 -7  7  43 o 140.156  11.626  173.911    28.194  178.055    47.246  171.619    35.135  140.021 19.883  138.640 14.740  1.380615       24.75118 
1 1 1 -7  7  44 o 115.635  10.634  118.488    21.231  111.581    35.094  122.475    26.664  110.445 18.876  117.109 13.274  -6.663139      23.07624 
1 1 1 -7  7  45 o 258.620  14.708  593.859    66.144  482.204    92.022  713.208    95.139  230.021 23.230  281.795 19.455  -51.77376      30.30073 
1 1 1 -7  7  46 o 209.890  15.049  392.590    54.787  392.590    54.787  0.0000     0.0000  209.890 15.049  ?       ?       0.000000       15.04928 
1 1 1 -7  7  47 o 274.735  17.110  676.065    81.672  676.065    81.672  0.0000     0.0000  274.735 17.110  ?       ?       0.000000       17.11022 
1 1 1 -7  7  48 o 17.035   8.0753  -7.8255    6.4355  -7.8255    6.4355  0.0000     0.0000  17.035  8.0753  ?       ?       0.000000       8.075309 
1 1 1 -7  7  49 o 152.604  14.661  209.033    38.584  209.033    38.584  0.0000     0.0000  152.604 14.661  ?       ?       0.000000       14.66064 
1 1 1 -7  7  50 o 133.746  11.739  159.440    27.137  164.506    33.306  149.435    46.805  135.205 14.326  126.276 22.029  8.929268       26.27788 
1 1 1 -7  7  51 o 223.564  12.400  444.805    48.213  442.712    59.066  448.985    83.461  221.929 15.337  220.236 21.998  1.692154       26.81639 
1 1 1 -7  7  52 o 54.136   14.784  27.084     14.369  31.060     17.490  18.829     25.203  57.967  16.493  52.499  19.935  5.468292       25.87316 
1 1 1 -7  7  53 o 57.133   16.379  30.202     17.183  30.202     17.183  0.0000     0.0000  57.133  16.379  ?       ?       0.000000       16.37863 
1 1 1 -7  7  54 o 146.644  14.686  195.028    37.097  195.028    37.097  0.0000     0.0000  146.644 14.686  ?       ?       0.000000       14.68550 
1 1 1 -7  7  55 o 115.207  15.399  121.824    30.202  121.824    30.202  0.0000     0.0000  115.207 15.399  ?       ?       0.000000       15.39912 
1 1 1 -7  7  56 o 145.329  12.141  189.973    30.526  180.028    52.299  195.112    37.595  136.658 22.715  146.217 14.935  -9.558029      27.18525 
1 1 1 -7  7  57 o 53.802   15.913  26.881     15.996  31.944     26.742  24.059     19.961  60.248  20.859  52.682  18.032  7.566631       27.57260 
1 1 1 -7  7  58 o 114.030  12.740  118.264    24.933  86.549     42.215  135.254    30.898  92.496  25.374  121.180 14.918  -28.68444      29.43451 
1 1 1 -7  7  59 o 214.211  12.552  414.522    46.744  387.456    80.512  428.284    57.411  198.893 23.647  215.997 15.322  -17.10451      28.17679 
1 1 1 -7  7  60 o 100.550  11.170  91.638     19.280  78.727     26.339  106.541    28.297  90.857  17.234  106.762 15.644  -15.90513      23.27493 
1 1 1 -7  7  61 o 153.533  10.294  211.638    27.437  203.946    38.154  219.876    39.485  148.489 14.917  154.268 14.842  -5.778473      21.04293 
1 1 1 -7  7  62 f 62.741   13.405  37.100     14.239  27.786     18.632  50.178     22.079  54.528  17.371  71.788  17.721  -17.25982      24.81486 
1 1 1 -7  7  63 o 170.173  10.341  260.701    30.580  235.762    42.636  287.122    43.885  158.793 15.578  176.186 14.391  -17.39354      21.20783 
1 1 1 -7  7  64 o 82.112   13.776  63.360     19.052  40.355     29.562  79.703     24.917  64.534  21.945  91.174  16.247  -26.64043      27.30502 
1 1 1 -7  7  65 o 87.698   13.545  72.162     20.073  52.800     30.777  86.495     26.480  71.804  22.250  94.644  16.631  -22.83930      27.77844 
1 1 1 -7  8  1  o 622.513  20.965  3426.40    227.879 3073.73    278.965 4133.71    395.061 587.076 27.214  677.213 33.410  -90.13623      43.09097 
1 1 1 -7  8  2  o 513.695  18.577  2326.70    166.628 2263.68    203.989 2453.07    288.859 505.328 23.119  521.612 31.869  -16.28397      39.37138 
1 1 1 -7  8  3  o 421.887  16.183  1565.54    119.210 1488.62    145.890 1720.08    206.795 410.505 20.354  438.491 27.143  -27.98529      33.92667 
1 1 1 -7  8  4  o 215.165  10.196  405.374    38.307  419.080    54.307  391.801    54.042  217.994 14.348  210.683 14.784  7.311676       20.60166 
1 1 1 -7  8  5  o 290.908  13.589  742.680    69.023  739.698    84.737  748.559    118.989 289.444 16.839  289.598 23.740  -0.1544189     29.10601 
1 1 1 -7  8  6  o 445.712  14.384  1744.44    111.942 1806.05    129.340 1560.55    223.467 453.132 16.347  416.163 30.975  36.96927       35.02387 
1 1 1 -7  8  7  f 242.219  10.274  513.721    43.452  555.523    50.331  391.392    86.101  251.791 11.448  208.738 24.064  43.05322       26.64866 
1 1 1 -7  8  8  o 230.575  10.573  465.595    42.569  483.511    49.306  413.146    84.363  234.551 12.080  214.825 22.841  19.72598       25.83889 
1 1 1 -7  8  9  o 414.974  13.878  1511.45    100.555 1553.43    116.196 1386.25    200.667 420.361 15.831  392.739 29.477  27.62167       33.45950 
1 1 1 -7  8  10 o 410.440  14.054  1478.79    100.722 1485.33    116.386 1459.27    201.014 410.976 16.219  403.295 28.734  7.681030       32.99508 
1 1 1 -7  8  11 o 109.220  9.6970  105.234    18.301  110.728    21.538  90.968     34.706  111.874 11.176  99.701  20.617  12.17371       23.45111 
1 1 1 -7  8  12 o 646.250  21.756  3693.96    245.492 3803.81    300.825 3474.97    424.754 653.815 26.351  616.489 39.670  37.32617       47.62431 
1 1 1 -7  8  13 o 345.182  13.855  1045.77    83.508  1113.12    102.553 913.239    143.864 355.727 16.511  319.439 26.019  36.28806       30.81557 
1 1 1 -7  8  14 o 430.626  20.189  1637.32    151.799 1666.85    215.248 1608.10    214.108 431.122 28.759  423.272 29.148  7.850067       40.94730 
1 1 1 -7  8  15 o 246.986  11.551  534.553    49.814  597.372    61.327  412.728    85.403  260.570 13.526  214.638 23.155  45.93234       26.81561 
1 1 1 -7  8  16 o 1045.68  28.915  9770.18    527.939 10028.54   609.670 8995.68    1055.57 1055.69 33.075  961.141 63.252  94.54510       71.37734 
1 1 1 -7  8  17 o 256.938  10.727  578.229    48.125  605.371    55.734  498.674    95.418  262.779 12.147  236.060 23.460  26.71930       26.41854 
1 1 1 -7  8  18 o 536.953  16.956  2537.72    158.976 2557.69    183.641 2478.00    317.580 538.347 19.536  522.684 35.000  15.66345       40.08330 
1 1 1 -7  8  19 o 175.700  11.315  271.610    34.530  282.964    42.490  249.530    59.253  179.035 13.696  166.788 20.798  12.24649       24.90245 
1 1 1 -7  8  20 o 478.617  15.547  2013.93    129.929 2001.26    149.897 2052.20    260.545 476.541 18.015  477.088 31.453  -0.5470276     36.24691 
1 1 1 -7  8  21 o 628.893  18.735  3488.49    205.724 3392.22    237.445 3778.32    411.994 618.971 21.970  644.267 36.776  -25.29614      42.83886 
1 1 1 -7  8  22 o 423.607  13.984  1575.72    103.435 1513.60    119.265 1764.25    207.763 414.708 16.471  444.005 26.926  -29.29700      31.56421 
1 1 1 -7  8  23 o 201.920  13.040  359.248    45.728  374.397    55.424  326.950    80.928  205.762 15.541  190.200 24.972  15.56158       29.41286 
1 1 1 -7  8  24 o 366.806  18.155  1186.58    116.280 1145.71    163.377 1228.52    165.533 357.545 26.355  370.519 25.746  -12.97400      36.84406 
1 1 1 -7  8  25 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -7  8  26 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -7  8  27 o 271.818  23.810  661.828    111.865 0.0000     0.0000  661.828    111.865 ?       ?       271.818 23.810  0.000000       23.80978 
1 1 1 -7  8  28 o 182.740  22.353  300.650    69.835  0.0000     0.0000  300.650    69.835  ?       ?       182.740 22.353  0.000000       22.35262 
1 1 1 -7  8  29 o 193.030  22.598  335.355    74.722  0.0000     0.0000  335.355    74.722  ?       ?       193.030 22.598  0.000000       22.59754 
1 1 1 -7  8  30 o 370.532  27.333  1237.13    175.587 0.0000     0.0000  1237.13    175.587 ?       ?       370.532 27.333  0.000000       27.33269 
1 1 1 -7  8  31 o 566.688  23.205  2860.32    229.613 2127.62    324.148 3598.23    325.300 478.782 39.116  631.759 29.490  -152.9774      48.98667 
1 1 1 -7  8  32 o ?        ?       -184.1132  6.2489  -145.4267  7.6366  -262.5110  10.871  ?       ?       ?       ?       0.000000       ?        
1 1 1 -7  8  33 o 113.749  16.436  116.488    31.698  125.733    42.744  105.191    47.248  117.111 21.702  106.273 25.736  10.83792       33.66509 
1 1 1 -7  8  34 o 309.158  16.843  847.041    90.580  715.394    127.343 981.863    128.870 281.000 26.259  331.081 22.425  -50.08109      34.53078 
1 1 1 -7  8  35 o 47.807   17.598  16.104     19.328  37.291     25.314  -13.5135   29.929  64.899  20.190  42.856  19.238  22.04290       27.88833 
1 1 1 -7  8  36 o 231.593  15.253  475.467    61.333  376.742    85.758  578.836    87.752  203.436 24.646  254.344 19.918  -50.90762      31.68827 
1 1 1 -7  8  37 o 532.428  23.407  2544.43    217.603 2237.36    307.428 2852.74    308.047 488.932 36.269  556.581 31.830  -67.64874      48.25554 
1 1 1 -7  8  38 o 326.809  11.491  939.221    65.570  879.331    92.505  999.697    92.957  314.466 16.909  336.076 15.841  -21.61053      23.17036 
1 1 1 -7  8  39 o 142.605  9.4828  179.264    23.478  174.139    32.684  184.727    33.746  139.839 13.556  144.060 13.576  -4.221634      19.18522 
1 1 1 -7  8  40 o 186.460  9.8031  306.229    31.804  284.688    44.731  328.252    45.229  178.829 14.449  192.316 13.556  -13.48700      19.81245 
1 1 1 -7  8  41 o 134.668  9.7893  160.202    22.861  144.767    31.872  176.559    32.809  127.033 14.637  140.701 13.521  -13.66804      19.92659 
1 1 1 -7  8  42 o 163.044  9.6643  234.501    27.390  245.689    38.321  222.814    39.165  166.148 13.321  157.926 14.360  8.221695       19.58727 
1 1 1 -7  8  43 o 94.106   10.529  78.952     17.005  80.256     23.505  77.521     24.631  93.970  14.816  92.063  15.897  1.907082       21.73114 
1 1 1 -7  8  44 o 44.547   13.508  17.717     11.421  18.711     13.974  15.718     19.817  46.499  15.068  47.573  17.760  -1.074284      23.29101 
1 1 1 -7  8  45 o 161.849  11.821  232.887    33.176  237.288    40.795  224.292    57.010  162.647 14.517  155.635 21.558  7.011093       25.99022 
1 1 1 -7  8  46 o 243.025  15.866  530.872    66.957  530.872    66.957  0.0000     0.0000  243.025 15.866  ?       ?       0.000000       15.86612 
1 1 1 -7  8  47 o 41.219   15.526  11.421     15.212  11.421     15.212  0.0000     0.0000  41.219  15.526  ?       ?       0.000000       15.52613 
1 1 1 -7  8  48 o 184.065  21.288  315.117    67.156  315.117    67.156  0.0000     0.0000  184.065 21.288  ?       ?       0.000000       21.28819 
1 1 1 -7  8  49 o 108.291  16.035  107.795    29.403  120.558    38.498  89.929     45.548  113.110 20.236  95.655  26.405  17.45506       33.26722 
1 1 1 -7  8  50 o 233.484  14.773  492.127    59.915  417.695    82.856  573.708    86.743  210.208 22.947  248.751 20.144  -38.54330      30.53446 
1 1 1 -7  8  51 o 15.996   7.5160  -5.6667    5.3539  -6.1706    6.0135  -3.7404    11.757  17.053  7.9975  27.621  12.250  -10.56781      14.62919 
1 1 1 -7  8  52 o 35.492   14.105  6.3645     13.071  -11.0875   22.738  14.979     15.975  36.508  16.543  44.126  16.036  -7.618298      23.03964 
1 1 1 -7  8  53 o 57.556   15.668  31.157     16.169  48.368     27.078  21.619     20.157  70.913  20.628  51.047  18.078  19.86541       27.42840 
1 1 1 -7  8  54 o 168.752  10.475  254.634    30.712  278.173    53.674  243.175    37.448  172.528 18.086  163.762 13.209  8.766403       22.39596 
1 1 1 -7  8  55 o 124.615  9.5034  138.784    20.522  167.874    28.415  107.066    29.671  136.202 12.073  106.851 16.430  29.35098       20.38887 
1 1 1 -7  8  56 o 158.447  9.1700  223.835    25.261  224.313    35.194  223.327    36.281  157.015 12.953  156.441 13.412  0.5735474      18.64525 
1 1 1 -7  8  57 o 120.015  10.295  129.663    21.365  132.913    29.459  126.058    31.030  119.864 14.362  116.063 15.716  3.800797       21.28969 
1 1 1 -7  8  58 o 81.207   13.894  61.707     18.992  51.569     32.651  66.891     23.348  72.010  23.001  83.550  16.590  -11.54010      28.35988 
1 1 1 -7  8  59 o 40.979   16.044  10.540     16.684  0.0000     0.0000  10.540     16.684  ?       ?       40.979  16.044  0.000000       16.04414 
1 1 1 -7  8  60 o 56.144   18.112  29.859     20.207  0.0000     0.0000  29.859     20.207  ?       ?       56.144  18.112  0.000000       18.11153 
1 1 1 -7  8  61 o 52.888   14.736  26.779     14.115  22.394     20.590  30.667     19.388  50.806  18.241  56.487  17.685  -5.681133      25.40687 
1 1 1 -7  8  62 o 74.388   13.505  52.367     16.895  30.993     25.424  69.269     22.609  57.641  20.314  84.714  15.868  -27.07267      25.77745 
1 1 1 -7  8  63 o 21.350   9.7426  -4.8286    8.0626  -0.8553    9.3396  -16.4507   15.973  25.732  11.178  27.089  12.806  -1.357542      16.99806 
1 1 1 -7  9  1  o 168.548  10.437  249.945    30.566  212.626    43.035  287.935    43.421  154.503 16.193  180.451 13.888  -25.94734      21.33252 
1 1 1 -7  9  2  o 86.016   10.482  65.800     15.417  77.741     21.662  53.543     21.948  93.067  13.744  76.452  16.892  16.61526       21.77654 
1 1 1 -7  9  3  o 221.174  12.147  430.605    46.730  460.249    57.591  373.471    79.953  228.291 14.523  203.723 22.872  24.56793       27.09317 
1 1 1 -7  9  4  f 74.930   12.897  50.685     16.264  50.685     16.264  0.0000     0.0000  74.930  12.897  ?       ?       0.000000       12.89663 
1 1 1 -7  9  5  o 397.362  16.122  1391.20    111.859 1391.20    111.859 0.0000     0.0000  397.362 16.122  ?       ?       0.000000       16.12219 
1 1 1 -7  9  6  o 234.346  12.626  483.531    51.472  483.531    51.472  0.0000     0.0000  234.346 12.626  ?       ?       0.000000       12.62567 
1 1 1 -7  9  7  o 208.482  10.252  380.870    37.320  376.908    43.269  392.378    73.748  206.907 12.029  209.517 20.418  -2.610199      23.69820 
1 1 1 -7  9  8  o 697.948  20.123  4313.42    245.238 4375.58    283.248 4127.32    490.106 701.380 23.129  665.763 42.381  35.61707       48.28146 
1 1 1 -7  9  9  o 441.293  14.303  1712.38    110.209 1704.22    127.358 1736.71    219.902 439.699 16.588  438.765 28.865  0.9338379      33.29178 
1 1 1 -7  9  10 o 183.422  10.356  295.759    33.030  297.749    38.376  290.073    64.877  183.821 12.023  179.710 21.076  4.111221       24.26381 
1 1 1 -7  9  11 o 162.833  11.964  233.886    33.779  207.814    41.758  283.240    57.454  152.804 15.883  178.068 18.761  -25.26495      24.58145 
1 1 1 -7  9  12 o 164.179  11.365  237.516    32.379  260.624    40.163  194.613    54.725  171.704 13.505  146.498 22.079  25.20619       25.88222 
1 1 1 -7  9  13 o 102.420  12.626  93.468     22.102  93.782     27.859  92.935     36.305  101.949 16.191  100.520 21.344  1.428673       26.79088 
1 1 1 -7  9  14 o 311.904  15.263  856.415    83.125  731.643    102.078 1102.03    143.218 286.631 20.532  351.091 23.498  -64.45956      31.20451 
1 1 1 -7  9  15 o 179.081  10.246  281.953    31.904  347.267    39.659  162.154    53.711  198.642 11.483  132.983 24.015  65.65865       26.61974 
1 1 1 -7  9  16 o 235.364  8.1813  484.812    33.622  1065.40    52.322  76.428     43.882  348.864 8.5895  91.310  26.173  257.5544       27.54660 
1 1 1 -7  9  17 o 81.935   15.496  61.038     21.357  75.435     35.550  52.907     26.715  90.364  22.592  75.919  19.908  14.44534       30.11183 
1 1 1 -7  9  18 o 388.985  20.596  1345.49    139.387 1201.27    198.271 1486.42    195.994 363.009 31.596  405.921 27.821  -42.91248      42.09864 
1 1 1 -7  9  19 o 358.444  26.444  1157.17    164.336 0.0000     0.0000  1157.17    164.336 ?       ?       358.444 26.444  0.000000       26.44391 
1 1 1 -7  9  20 o 133.346  12.250  157.428    28.204  171.306    33.114  120.762    53.824  138.893 13.839  113.769 27.418  25.12372       30.71220 
1 1 1 -7  9  21 o 284.184  11.617  708.811    57.644  661.057    66.150  859.512    117.511 273.791 13.883  310.148 21.839  -36.35696      25.87773 
1 1 1 -7  9  22 f 347.482  13.280  1061.61    80.576  1027.26    92.635  1168.36    163.317 341.372 15.541  360.037 26.158  -18.66562      30.42611 
1 1 1 -7  9  23 o 495.087  14.504  2158.43    125.384 1859.30    144.445 3072.75    252.537 458.426 18.046  585.965 24.683  -127.5392      30.57564 
1 1 1 -7  9  24 o 642.818  18.163  3657.75    203.868 3251.83    235.178 4885.04    408.928 603.999 22.300  732.389 31.977  -128.3896      38.98494 
1 1 1 -7  9  25 o 460.133  14.955  1866.39    120.151 1713.45    138.397 2334.41    242.104 439.922 18.017  508.210 27.384  -68.28787      32.77992 
1 1 1 -7  9  26 o 101.969  13.227  92.982     22.995  101.742    26.835  68.777     44.605  106.433 14.844  87.159  26.750  19.27372       30.59231 
1 1 1 -7  9  27 o 395.081  15.046  1377.07    103.795 1228.03    126.752 1680.44    180.839 371.247 19.623  432.334 24.051  -61.08673      31.04068 
1 1 1 -7  9  28 o 119.628  10.892  126.676    22.501  109.520    25.279  192.111    49.370  110.748 13.341  145.674 19.932  -34.92595      23.98515 
1 1 1 -7  9  29 o 246.582  11.282  534.242    48.576  514.091    55.696  598.293    99.294  241.236 13.274  257.681 22.288  -16.44485      25.94141 
1 1 1 -7  9  30 o 454.648  17.551  1833.98    139.329 1762.26    170.342 1978.95    242.179 443.650 21.990  464.336 30.031  -20.68607      37.22130 
1 1 1 -7  9  31 o 532.959  18.904  2529.05    175.918 2357.94    215.183 2873.88    305.472 511.516 24.093  557.842 31.490  -46.32581      39.64968 
1 1 1 -7  9  32 o 111.066  13.096  110.238    24.909  126.403    29.451  69.623     46.684  118.746 14.506  87.492  27.451  31.25320       31.04846 
1 1 1 -7  9  33 o 170.071  12.138  256.101    35.808  222.472    43.042  331.697    64.532  157.642 15.852  191.719 19.551  -34.07660      25.17001 
1 1 1 -7  9  34 o 152.858  11.959  207.149    31.665  190.851    37.913  244.745    57.582  146.010 15.089  163.973 20.564  -17.96402      25.50585 
1 1 1 -7  9  35 o 224.844  12.836  447.932    50.185  435.924    60.867  473.429    88.690  220.941 15.884  227.774 22.598  -6.833023      27.62202 
1 1 1 -7  9  36 o 159.808  11.873  226.545    32.895  202.577    39.416  281.540    59.706  150.281 15.232  175.982 19.773  -25.70105      24.95952 
1 1 1 -7  9  37 o 337.279  14.534  1010.13    85.591  1010.13    85.591  0.0000     0.0000  337.279 14.534  ?       ?       0.000000       14.53362 
1 1 1 -7  9  38 o 207.539  11.021  381.036    39.794  381.036    39.794  0.0000     0.0000  207.539 11.021  ?       ?       0.000000       11.02082 
1 1 1 -7  9  39 o 382.955  15.446  1308.80    103.281 1308.80    103.281 0.0000     0.0000  382.955 15.446  ?       ?       0.000000       15.44579 
1 1 1 -7  9  40 o 243.313  12.985  526.951    54.968  535.775    67.563  509.673    94.538  244.176 15.934  234.323 23.420  9.852905       28.32646 
1 1 1 -7  9  41 o 147.246  11.567  193.114    29.500  206.715    36.517  167.562    50.050  151.713 13.941  133.551 22.246  18.16121       26.25300 
1 1 1 -7  9  42 o 210.075  10.768  391.366    39.366  356.152    55.281  427.594    56.071  198.470 16.091  218.129 14.810  -19.65913      21.86861 
1 1 1 -7  9  43 o 188.231  12.306  316.333    40.224  273.264    48.466  411.664    72.107  173.473 16.188  211.352 19.769  -37.87924      25.55104 
1 1 1 -7  9  44 o 99.700   12.985  90.085     22.069  77.577     25.898  123.251    42.172  91.266  16.873  113.601 22.056  -22.33503      27.76988 
1 1 1 -7  9  45 o 251.407  13.052  566.475    57.100  518.488    69.369  667.304    100.553 238.495 16.765  266.981 21.760  -28.48578      27.46870 
1 1 1 -7  9  46 o 93.527   12.919  79.648     20.535  65.562     23.977  118.411    39.775  83.476  17.027  111.178 21.264  -27.70137      27.24129 
1 1 1 -7  9  47 o 93.745   17.646  82.856     27.824  81.313     38.022  84.635     40.827  90.779  23.724  92.291  24.803  -1.512260      34.32232 
1 1 1 -7  9  48 o 235.978  15.909  509.550    65.168  410.586    91.354  612.089    92.990  203.889 26.272  254.407 21.125  -50.51770      33.71160 
1 1 1 -7  9  49 o 43.951   17.055  12.259     18.723  4.5314     24.557  22.988     28.936  44.195  18.629  55.899  21.328  -11.70467      28.31815 
1 1 1 -7  9  50 o 108.821  10.458  106.539    19.627  89.570     27.058  125.382    28.513  97.558  16.470  116.729 14.287  -19.17077      21.80388 
1 1 1 -7  9  51 f 71.662   12.532  47.542     15.110  56.196     20.713  37.698     22.091  76.919  15.946  62.755  18.733  14.16373       24.60100 
1 1 1 -7  9  52 o 96.340   11.121  84.300     18.364  78.661     24.834  91.104     27.281  91.112  16.204  98.067  16.519  -6.954765      23.13977 
1 1 1 -7  9  53 o 68.832   14.828  45.029     17.295  51.547     26.344  40.092     22.928  72.178  20.139  64.242  19.064  7.936630       27.73125 
1 1 1 -7  9  54 o 155.481  11.987  219.922    32.292  234.588    54.072  211.792    40.260  154.936 20.490  150.538 15.540  4.398453       25.71641 
1 1 1 -7  9  55 o 65.226   13.364  40.182     14.708  41.512     23.068  39.271     19.093  64.956  19.081  63.520  16.913  1.435719       25.49790 
1 1 1 -7  9  56 o 147.888  14.819  204.495    37.752  309.465    53.333  99.076     53.447  180.256 17.152  93.730  29.367  86.52570       34.00860 
1 1 1 -7  9  57 o 41.046   13.463  15.125     11.141  14.069     13.962  16.978     18.485  41.511  15.006  46.132  17.166  -4.620922      22.80043 
1 1 1 -7  9  58 o 54.910   14.322  29.064     13.875  16.188     16.975  54.977     24.082  44.675  16.485  73.979  18.649  -29.30340      24.89042 
1 1 1 -7  9  59 o 81.531   13.927  63.245     19.115  61.108     32.315  64.395     23.707  75.960  22.653  80.588  17.360  -4.628540      28.54002 
1 1 1 -7  9  60 o 142.005  11.809  186.054    29.015  178.853    49.730  189.770    35.726  130.529 22.640  141.406 14.684  -10.87642      26.98505 
1 1 1 -7  10 1  o 207.393  12.525  379.827    45.143  349.262    55.659  438.591    77.175  198.063 16.237  221.003 20.224  -22.93945      25.93505 
1 1 1 -7  10 2  o 52.816   15.738  24.961     15.603  2.1324     20.661  55.259     23.803  40.743  17.126  77.423  17.956  -36.68023      24.81327 
1 1 1 -7  10 3  o 88.293   13.811  70.302     20.594  58.575     26.777  87.283     32.221  79.611  19.433  97.392  19.626  -17.78114      27.61920 
1 1 1 -7  10 4  o 52.576   15.304  24.885     14.901  20.245     19.859  30.863     22.540  50.934  17.954  59.587  19.119  -8.652714      26.22725 
1 1 1 -7  10 5  o ?        ?       -152.0293  6.0340  -152.0293  6.0340  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 -7  10 6  o 197.029  11.476  342.246    39.309  276.548    45.722  528.422    76.968  176.393 14.987  243.388 18.244  -66.99533      23.61045 
1 1 1 -7  10 7  o ?        ?       -185.5159  5.0788  -185.5159  5.0788  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 -7  10 8  o 329.706  14.448  958.789    83.177  958.789    83.177  0.0000     0.0000  329.706 14.448  ?       ?       0.000000       14.44820 
1 1 1 -7  10 9  o 145.636  14.041  188.646    35.262  188.646    35.262  0.0000     0.0000  145.636 14.041  ?       ?       0.000000       14.04087 
1 1 1 -7  10 10 o 402.321  16.825  1432.92    118.196 1432.92    118.196 0.0000     0.0000  402.321 16.825  ?       ?       0.000000       16.82549 
1 1 1 -7  10 11 o 393.141  11.538  1358.31    79.202  1603.62    91.899  649.932    156.165 426.970 12.327  263.149 34.844  163.8214       36.96061 
1 1 1 -7  10 12 o 369.870  12.325  1203.45    79.594  1310.94    92.195  888.862    157.724 385.694 13.690  311.214 29.373  74.48007       32.40631 
1 1 1 -7  10 13 o 536.491  16.178  2546.13    151.550 2502.83    175.137 2675.19    302.364 530.643 18.902  538.685 32.295  -8.041504      37.42049 
1 1 1 -7  10 14 o ?        ?       -127.2756  4.9041  -156.6410  14.411  -123.4293  5.2153  ?       ?       ?       ?       0.000000       ?        
1 1 1 -7  10 15 f 163.972  12.383  237.916    35.192  182.842    41.195  386.668    67.702  142.720 16.856  207.729 18.872  -65.00818      25.30362 
1 1 1 -7  10 16 o 252.554  11.664  560.858    51.437  546.528    59.700  602.148    101.335 248.579 13.809  258.216 22.707  -9.636551      26.57597 
1 1 1 -7  10 17 o 83.916   13.780  63.683     19.490  49.047     24.892  86.875     31.334  72.927  19.261  97.190  19.146  -24.26263      27.15800 
1 1 1 -7  10 18 o 487.092  18.651  2110.98    158.625 2080.85    194.483 2170.86    274.161 481.168 23.148  483.765 32.648  -2.596985      40.02178 
1 1 1 -7  10 19 o 264.997  13.429  620.837    61.934  608.401    76.033  645.362    106.770 261.418 16.745  266.983 23.132  -5.564453      28.55700 
1 1 1 -7  10 20 o 103.203  11.136  94.716     19.749  88.632     21.953  120.535    45.224  99.467  12.947  113.742 23.547  -14.27502      26.87164 
1 1 1 -7  10 21 o 194.238  11.983  333.418    40.444  309.331    48.780  386.389    72.338  186.384 15.119  206.947 20.280  -20.56345      25.29546 
1 1 1 -7  10 22 o 51.595   15.901  23.590     15.743  41.511     18.124  -31.5062   31.778  67.131  15.736  39.239  18.397  27.89135       24.20877 
1 1 1 -7  10 23 o 225.411  15.107  451.916    59.113  365.627    82.345  543.667    84.911  199.730 24.099  245.718 19.963  -45.98804      31.29367 
1 1 1 -7  10 24 o 421.184  15.906  1574.53    116.975 1395.81    142.941 1936.88    203.529 393.740 20.866  460.720 25.399  -66.97946      32.87054 
1 1 1 -7  10 25 o 175.758  11.821  273.468    36.065  241.189    43.383  345.672    64.885  164.219 15.306  195.641 19.243  -31.42284      24.58826 
1 1 1 -7  10 26 o 96.159   14.908  83.848     24.221  72.950     30.895  101.227    39.016  88.404  20.426  104.020 22.160  -15.61622      30.13728 
1 1 1 -7  10 27 o 205.928  10.991  374.625    39.377  368.452    45.118  394.359    80.665  203.809 12.742  207.487 22.632  -3.678192      25.97299 
1 1 1 -7  10 28 o 205.906  12.954  376.472    46.336  376.472    46.336  0.0000     0.0000  205.906 12.954  ?       ?       0.000000       12.95401 
1 1 1 -7  10 29 o 301.673  14.230  807.933    74.956  807.933    74.956  0.0000     0.0000  301.673 14.230  ?       ?       0.000000       14.23006 
1 1 1 -7  10 30 o 217.061  15.036  421.380    56.635  421.380    56.635  0.0000     0.0000  217.061 15.036  ?       ?       0.000000       15.03577 
1 1 1 -7  10 31 o 226.308  12.884  455.397    50.701  455.397    50.701  0.0000     0.0000  226.308 12.884  ?       ?       0.000000       12.88406 
1 1 1 -7  10 32 o 36.831   12.547  11.119     9.6641  11.119     9.6641  0.0000     0.0000  36.831  12.547  ?       ?       0.000000       12.54714 
1 1 1 -7  10 33 o 193.649  12.811  334.336    43.072  334.336    43.072  0.0000     0.0000  193.649 12.811  ?       ?       0.000000       12.81090 
1 1 1 -7  10 34 o 85.752   12.023  66.421     17.508  66.421     17.508  0.0000     0.0000  85.752  12.023  ?       ?       0.000000       12.02332 
1 1 1 -7  10 35 o 233.898  10.913  484.239    44.569  464.056    51.053  548.899    91.380  228.022 12.875  243.342 21.735  -15.31953      25.26273 
1 1 1 -7  10 36 o 156.504  9.7982  217.175    26.640  186.178    30.124  328.425    57.069  144.268 12.069  189.740 17.420  -45.47173      21.19284 
1 1 1 -7  10 37 o 200.251  10.178  355.700    35.472  338.169    40.414  414.518    74.026  194.660 11.948  211.473 20.297  -16.81300      23.55288 
1 1 1 -7  10 38 o 270.983  11.232  652.317    53.144  597.971    60.957  824.504    108.502 258.101 13.574  297.721 21.007  -39.61920      25.01074 
1 1 1 -7  10 39 o 148.198  10.522  195.800    27.051  197.097    30.603  191.167    57.852  148.259 11.922  140.362 24.496  7.897156       27.24348 
1 1 1 -7  10 40 o 138.214  9.6382  169.990    23.114  154.071    25.947  231.181    50.872  131.034 11.456  157.456 18.880  -26.42207      22.08398 
1 1 1 -7  10 41 o 89.595   17.239  75.692     25.990  46.254     34.719  113.219    39.199  70.628  23.783  108.222 21.502  -37.59448      32.06225 
1 1 1 -7  10 42 o 132.760  15.332  162.110    34.888  119.450    47.636  211.466    51.238  109.003 25.485  149.294 20.172  -40.29044      32.50208 
1 1 1 -7  10 43 o 20.108   9.2703  -5.7720    7.5569  -2.9563    21.022  -6.1899    8.0982  37.937  16.618  20.800  9.5921  17.13631       19.18788 
1 1 1 -7  10 44 o 197.973  12.157  353.513    41.821  310.214    50.466  448.438    74.723  183.310 15.925  217.474 19.899  -34.16339      25.48661 
1 1 1 -7  10 45 o 83.455   14.339  65.012     20.141  57.411     23.577  85.539     38.747  77.118  17.861  91.845  23.923  -14.72743      29.85503 
1 1 1 -7  10 46 o 137.895  12.382  172.984    29.494  147.617    35.265  232.031    53.803  125.351 16.514  154.965 20.379  -29.61356      26.22971 
1 1 1 -7  10 47 o 56.551   17.455  30.265     18.963  21.671     23.342  46.943     32.518  51.975  19.300  69.355  23.012  -17.37981      30.03413 
1 1 1 -7  10 48 o 86.900   15.610  71.732     22.816  47.588     28.666  113.463    37.686  69.274  21.475  106.843 20.950  -37.56995      30.00085 
1 1 1 -7  10 49 o 73.102   13.342  50.187     16.403  48.400     26.254  51.332     21.007  69.665  20.325  72.653  16.881  -2.988678      26.42169 
1 1 1 -7  10 50 o 97.996   12.537  88.764     20.960  100.610    33.904  81.437     26.666  100.499 20.024  91.604  17.306  8.894905       26.46614 
1 1 1 -7  10 51 o 170.180  10.222  261.530    30.235  245.676    42.245  278.178    43.291  161.779 15.131  172.705 14.490  -10.92630      20.94996 
1 1 1 -7  10 52 o 97.688   10.725  87.218     17.992  82.255     24.901  92.639     26.025  92.407  16.013  98.361  15.680  -5.954544      22.41158 
1 1 1 -7  10 53 o 44.928   17.285  14.903     19.104  23.850     24.410  0.7554     30.693  52.842  19.714  45.720  20.053  7.121548       28.12022 
1 1 1 -7  10 54 o 67.622   18.827  46.363     23.050  26.828     30.146  73.856     35.763  56.281  21.696  82.693  23.603  -26.41164      32.06023 
1 1 1 -7  10 55 o 61.337   15.012  36.850     15.948  32.913     23.900  40.010     21.412  57.939  19.732  62.918  18.355  -4.979248      26.94902 
1 1 1 -7  10 56 o 24.667   10.884  -1.9863    9.1659  11.779     10.994  -33.3670   16.599  37.458  13.342  23.199  11.439  14.25828       17.57435 
1 1 1 -7  11 1  o 412.922  15.956  1518.96    115.042 1561.87    141.269 1434.49    198.221 416.714 19.415  391.303 29.223  25.41064       35.08442 
1 1 1 -7  11 2  o 332.788  14.565  983.192    84.634  972.599    104.011 1003.95    145.599 329.013 18.176  329.865 25.476  -0.8524780     31.29541 
1 1 1 -7  11 3  f 456.268  15.446  1851.80    123.058 1781.69    142.175 2061.18    245.702 445.908 18.261  468.522 30.195  -22.61359      35.28717 
1 1 1 -7  11 4  o 355.220  13.534  1117.52    83.945  1057.47    97.075  1295.53    167.145 344.512 16.138  374.844 25.693  -30.33176      30.34038 
1 1 1 -7  11 5  o 128.692  10.425  146.756    23.224  156.379    27.317  121.663    44.112  132.578 11.928  113.858 22.981  18.71986       25.89217 
1 1 1 -7  11 6  o 522.006  17.004  2433.08    154.981 2361.84    179.050 2645.92    309.479 512.108 20.024  526.495 33.844  -14.38708      39.32389 
1 1 1 -7  11 7  o 369.998  13.178  1211.58    85.138  1234.63    98.504  1143.48    169.279 372.698 15.137  350.387 27.900  22.31085       31.74170 
1 1 1 -7  11 8  o 255.288  11.785  575.254    52.534  542.086    60.946  671.152    103.630 246.824 14.201  271.273 22.070  -24.44948      26.24400 
1 1 1 -7  11 9  o 219.787  10.741  425.621    41.220  441.543    47.970  380.680    80.592  223.202 12.357  203.386 23.104  19.81583       26.20057 
1 1 1 -7  11 10 o 293.459  12.210  760.884    62.563  716.372    72.416  891.883    124.231 283.641 14.672  312.328 22.941  -28.68723      27.23121 
1 1 1 -7  11 11 o 246.725  11.445  537.125    49.306  524.918    57.106  572.875    97.728  243.042 13.510  250.099 22.624  -7.056946      26.35094 
1 1 1 -7  11 12 o 262.130  13.666  610.725    62.334  610.725    62.334  0.0000     0.0000  262.130 13.666  ?       ?       0.000000       13.66638 
1 1 1 -7  11 13 o 123.937  11.846  136.874    25.324  136.874    25.324  0.0000     0.0000  123.937 11.846  ?       ?       0.000000       11.84648 
1 1 1 -7  11 14 o 159.615  12.028  226.413    33.276  226.413    33.276  0.0000     0.0000  159.615 12.028  ?       ?       0.000000       12.02815 
1 1 1 -7  11 15 o 152.334  16.375  209.549    42.871  209.549    42.871  0.0000     0.0000  152.334 16.375  ?       ?       0.000000       16.37487 
1 1 1 -7  11 16 o 185.870  12.391  307.056    39.983  307.647    49.628  305.965    67.494  185.135 15.495  182.319 21.623  2.816071       26.60182 
1 1 1 -7  11 17 o 107.402  10.664  102.725    19.733  90.355     23.245  134.641    37.337  100.002 13.671  121.136 18.216  -21.13425      22.77549 
1 1 1 -7  11 18 o 160.110  11.733  227.882    32.572  231.195    40.249  221.594    55.448  160.524 14.517  154.873 21.050  5.650986       25.57011 
1 1 1 -7  11 19 o 95.159   21.530  85.621     34.937  85.621     34.937  0.0000     0.0000  95.159  21.530  ?       ?       0.000000       21.52987 
1 1 1 -7  11 20 o 260.874  13.367  606.290    60.682  606.290    60.682  0.0000     0.0000  260.874 13.367  ?       ?       0.000000       13.36677 
1 1 1 -7  11 21 o 82.724   13.318  62.285     18.584  62.285     18.584  0.0000     0.0000  82.724  13.318  ?       ?       0.000000       13.31820 
1 1 1 -7  11 22 o 211.818  12.758  399.896    46.965  399.896    46.965  0.0000     0.0000  211.818 12.758  ?       ?       0.000000       12.75784 
1 1 1 -7  11 23 o 73.799   13.073  49.813     16.229  49.813     16.229  0.0000     0.0000  73.799  13.073  ?       ?       0.000000       13.07314 
1 1 1 -7  11 24 o 212.338  12.369  401.872    45.660  401.872    45.660  0.0000     0.0000  212.338 12.369  ?       ?       0.000000       12.36881 
1 1 1 -7  11 25 o 115.180  11.924  118.991    23.634  118.991    23.634  0.0000     0.0000  115.180 11.924  ?       ?       0.000000       11.92441 
1 1 1 -7  11 26 o 147.121  10.318  192.385    26.337  178.239    29.803  242.807    56.268  141.071 12.220  161.535 20.405  -20.46387      23.78393 
1 1 1 -7  11 27 o 293.566  12.021  766.595    61.618  712.584    70.850  934.280    124.838 281.534 14.462  315.941 22.783  -34.40717      26.98486 
1 1 1 -7  11 28 o 290.521  13.479  755.097    68.376  682.352    83.368  904.601    119.515 273.396 17.557  311.039 22.151  -37.64288      28.26504 
1 1 1 -7  11 29 o 154.696  11.976  214.379    32.095  194.014    38.657  259.563    57.581  145.902 15.407  166.657 20.200  -20.75560      25.40542 
1 1 1 -7  11 30 o 68.807   14.548  44.134     16.932  45.052     19.647  41.482     33.379  69.127  16.506  68.016  23.318  1.110283       28.56849 
1 1 1 -7  11 31 o 107.961  12.603  105.580    23.311  102.057    27.588  114.374    43.586  105.173 15.486  108.010 23.757  -2.837669      28.35869 
1 1 1 -7  11 32 o 65.873   15.077  40.762     16.967  40.188     20.301  42.090     30.904  65.097  17.488  67.546  22.435  -2.449120      28.44548 
1 1 1 -7  11 33 o 115.211  12.442  120.232    24.632  107.264    29.323  151.317    45.401  107.438 16.129  125.383 21.512  -17.94573      26.88751 
1 1 1 -7  11 34 o 138.240  12.029  172.397    28.745  149.501    34.350  225.887    52.504  127.171 15.811  154.390 19.943  -27.21973      25.44970 
1 1 1 -7  11 35 o 49.654   15.175  22.663     14.372  22.045     16.246  24.886     30.825  49.659  16.256  57.683  22.012  -8.023335      27.36392 
1 1 1 -7  11 36 o 84.842   17.595  68.837     25.210  66.122     33.253  72.508     38.658  81.549  22.581  84.787  24.643  -3.238556      33.42413 
1 1 1 -7  11 37 o 71.728   18.135  49.790     22.725  36.376     29.522  69.297     35.602  63.166  21.914  82.985  23.503  -19.81938      32.13421 
1 1 1 -7  11 38 o 189.631  15.242  331.925    50.041  263.704    69.445  405.605    72.170  161.391 25.490  205.530 20.379  -44.13930      32.63469 
1 1 1 -7  11 39 o 30.616   12.762  2.3524     11.330  0.3544     12.410  12.355     27.768  30.586  13.080  49.514  20.242  -18.92796      24.10025 
1 1 1 -7  11 40 o 91.760   14.443  78.839     22.376  13.983     28.086  191.526    37.022  50.322  20.440  143.542 14.992  -93.22026      25.34888 
1 1 1 -7  11 41 o 111.878  15.305  117.614    29.114  94.847     38.254  148.956    44.883  96.151  23.079  122.034 21.867  -25.88291      31.79295 
1 1 1 -7  11 42 o 51.277   16.989  24.177     17.726  21.098     21.294  31.129     31.993  50.404  18.484  60.108  22.541  -9.704266      29.15037 
1 1 1 -7  11 43 o 67.289   20.071  45.216     25.366  45.216     25.366  0.0000     0.0000  67.289  20.071  ?       ?       0.000000       20.07067 
1 1 1 -7  11 44 o 123.265  21.800  154.208    45.203  154.208    45.203  0.0000     0.0000  123.265 21.800  ?       ?       0.000000       21.79964 
1 1 1 -7  11 45 o 35.529   13.941  7.7109     12.618  10.771     13.961  -5.9355    29.484  38.888  14.820  42.763  19.153  -3.875137      24.21686 
1 1 1 -7  11 46 o 40.399   13.320  14.667     10.901  14.077     15.185  15.294     15.658  42.098  15.580  43.278  15.854  -1.180058      22.22763 
1 1 1 -7  11 47 o 80.449   11.632  60.163     15.865  51.531     21.968  69.573     22.937  71.771  17.652  84.464  16.141  -12.69312      23.91903 
1 1 1 -7  11 48 o 50.558   13.532  24.618     12.181  13.890     16.637  37.017     17.885  42.649  16.196  61.108  16.414  -18.45937      23.05914 
1 1 1 -7  11 49 o 67.822   13.855  44.364     15.854  16.557     24.907  63.303     20.555  48.578  19.417  80.693  15.145  -32.11586      24.62512 
1 1 1 -7  11 50 o 47.355   15.386  21.283     14.565  14.617     21.768  26.687     19.598  45.759  18.197  52.655  17.868  -6.896778      25.50294 
1 1 1 -7  11 51 o 38.966   14.252  12.495     12.648  11.416     16.779  13.915     19.249  40.768  16.050  43.812  17.210  -3.044235      23.53257 
1 1 1 -7  11 52 o 77.515   12.959  57.523     16.921  45.290     23.195  71.438     24.739  65.744  19.082  83.831  17.468  -18.08701      25.87003 
1 1 1 -7  12 1  o 95.384   12.653  82.624     20.553  88.628     25.436  71.331     34.885  97.999  15.371  85.588  22.896  12.41106       27.57705 
1 1 1 -7  12 2  o 242.750  12.925  528.495    54.585  528.997    66.959  527.499    94.247  241.184 15.991  235.776 23.193  5.407974       28.17134 
1 1 1 -7  12 3  o 64.263   16.825  38.904     19.101  62.047     28.348  19.660     25.851  80.419  20.212  53.009  20.175  27.40981       28.55780 
1 1 1 -7  12 4  o 202.580  15.438  372.650    54.195  359.835    77.482  384.925    75.831  194.417 23.288  202.134 21.832  -7.716949      31.92155 
1 1 1 -7  12 5  o 242.390  16.395  535.146    68.980  488.668    98.288  580.260    96.834  225.180 25.444  247.931 22.617  -22.75058      34.04364 
1 1 1 -7  12 6  o 93.429   16.004  81.013     25.169  67.231     37.706  92.088     33.802  83.132  24.388  98.187  20.383  -15.05535      31.78439 
1 1 1 -7  12 7  o 196.102  12.144  344.194    41.376  358.824    51.175  316.575    70.313  199.059 14.830  182.711 22.516  16.34805       26.96125 
1 1 1 -7  12 8  o 151.638  12.273  206.432    32.217  188.370    39.806  240.730    54.853  143.354 16.187  160.383 20.024  -17.02892      25.74808 
1 1 1 -7  12 9  o 168.430  11.964  254.096    34.957  235.470    42.793  291.452    60.605  160.763 15.435  176.639 20.002  -15.87605      25.26523 
1 1 1 -7  12 10 o 113.701  12.090  116.531    23.634  105.801    28.889  138.249    41.099  107.041 15.943  120.882 20.184  -13.84035      25.72088 
1 1 1 -7  12 11 o 174.476  12.198  272.954    36.928  248.722    45.359  320.586    63.594  164.978 15.945  185.262 19.975  -20.28342      25.55888 
1 1 1 -7  12 12 f 215.982  12.561  418.360    47.166  411.682    57.955  431.458    81.168  212.665 15.719  213.622 22.079  -0.9571228     27.10314 
1 1 1 -7  12 13 o 181.252  12.146  294.573    38.217  279.613    47.042  323.615    65.542  175.108 15.548  185.646 20.565  -10.53880      25.78059 
1 1 1 -7  12 14 o 82.119   12.567  61.607     17.445  57.828     21.604  68.687     29.575  78.440  16.306  84.434  20.309  -5.994339      26.04477 
1 1 1 -7  12 15 o 84.709   11.406  65.019     16.441  70.818     19.556  51.038     30.365  87.977  13.133  72.999  22.002  14.97765       25.62296 
1 1 1 -7  12 16 o 170.285  10.642  258.766    31.482  243.940    36.753  299.626    61.015  164.479 12.901  178.705 19.892  -14.22591      23.70865 
1 1 1 -7  12 17 o 166.530  12.204  249.325    35.238  249.325    35.238  0.0000     0.0000  166.530 12.204  ?       ?       0.000000       12.20366 
1 1 1 -7  12 18 o 103.747  13.157  98.122     23.298  98.122     23.298  0.0000     0.0000  103.747 13.157  ?       ?       0.000000       13.15692 
1 1 1 -7  12 19 o 86.877   13.659  69.503     20.035  69.503     20.035  0.0000     0.0000  86.877  13.659  ?       ?       0.000000       13.65862 
1 1 1 -7  12 20 o 133.869  14.771  164.280    33.953  164.280    33.953  0.0000     0.0000  133.869 14.771  ?       ?       0.000000       14.77146 
1 1 1 -7  12 21 o 177.326  11.700  282.571    36.022  246.331    43.196  365.318    65.271  163.870 15.272  197.228 19.197  -33.35774      24.53088 
1 1 1 -7  12 22 o 73.111   12.517  49.276     15.404  41.052     17.086  84.979     35.600  65.920  15.160  92.724  22.269  -26.80470      26.93934 
1 1 1 -7  12 23 o 39.414   13.254  13.284     10.781  18.352     11.629  -17.7288   28.769  44.835  13.639  39.460  18.154  5.375290       22.70645 
1 1 1 -7  12 24 o 145.245  11.974  190.676    30.097  174.173    35.851  230.078    55.395  137.354 15.203  154.515 21.083  -17.16064      25.99268 
1 1 1 -7  12 25 o 56.279   12.876  29.683     12.379  25.556     13.472  52.057     31.366  52.148  14.346  72.844  22.444  -20.69628      26.63693 
1 1 1 -7  12 26 o 79.820   11.889  58.449     16.064  61.768     17.744  43.367     37.828  81.784  12.849  68.790  24.722  12.99358       27.86158 
1 1 1 -7  12 27 o 64.849   12.935  39.309     14.133  52.274     15.455  -26.8785   34.919  75.277  12.174  41.567  19.423  33.70912       22.92268 
1 1 1 -7  12 28 o 133.195  10.171  159.466    23.475  146.053    26.496  208.417    50.618  126.671 12.128  146.641 20.315  -19.97014      23.65961 
1 1 1 -7  12 29 f 73.052   11.684  49.198     14.401  57.362     15.934  12.797     33.646  78.916  11.937  52.968  22.028  25.94809       25.05465 
1 1 1 -7  12 30 o 66.619   11.955  41.227     13.396  36.258     14.703  65.493     32.494  61.819  13.953  80.285  22.354  -18.46608      26.35135 
1 1 1 -7  12 31 o 66.071   17.918  42.726     21.192  27.847     27.595  64.120     33.089  57.030  21.022  79.165  22.738  -22.13472      30.96694 
1 1 1 -7  12 32 o 79.856   24.756  66.635     38.095  0.0000     0.0000  66.635     38.095  ?       ?       79.856  24.756  0.000000       24.75597 
1 1 1 -7  12 33 o 110.951  24.262  128.658    45.693  0.0000     0.0000  128.658    45.693  ?       ?       110.951 24.262  0.000000       24.26225 
1 1 1 -7  12 34 o 110.718  13.140  113.781    24.906  103.121    29.508  140.190    46.443  103.379 16.934  116.067 23.718  -12.68767      29.14229 
1 1 1 -7  12 35 o 65.876   14.097  41.525     15.725  34.417     17.774  67.134     33.735  59.356  16.535  79.997  22.954  -20.64135      28.28906 
1 1 1 -7  12 36 o 95.087   13.469  84.847     21.737  81.589     25.417  93.716     41.938  91.696  16.481  92.775  25.225  -1.078957      30.13148 
1 1 1 -7  12 37 o 33.086   13.265  5.6863     11.663  4.2039     12.800  12.935     28.305  33.164  13.672  49.073  20.289  -15.90856      24.46568 
1 1 1 -7  12 38 o 44.761   13.673  18.856     11.669  23.299     12.585  -8.3864    31.165  49.279  13.979  42.880  19.405  6.399166       23.91597 
1 1 1 -7  12 39 o 39.747   12.533  14.546     9.7183  7.2482     10.280  75.880     29.803  32.952  12.679  85.701  20.239  -52.74874      23.88299 
1 1 1 -7  12 40 o 89.726   11.408  74.690     17.469  63.597     19.296  125.092    41.130  81.468  14.073  108.695 22.416  -27.22637      26.46779 
1 1 1 -7  12 41 o 130.571  10.815  156.511    24.435  151.492    27.756  173.800    51.515  127.317 12.653  126.431 24.217  0.8864975      27.32356 
1 1 1 -7  12 42 o 40.760   13.770  15.003     11.639  12.724     12.552  28.981     31.082  39.164  14.217  56.896  22.003  -17.73239      26.19675 
1 1 1 -7  12 43 o 93.030   11.263  80.543     17.923  65.107     19.867  148.055    41.548  81.932  14.413  118.990 20.752  -37.05785      25.26655 
1 1 1 -7  12 44 o 49.802   13.930  24.249     12.588  21.221     13.573  42.855     33.647  46.922  14.813  63.800  23.259  -16.87741      27.57601 
1 1 1 -7  12 45 o 70.338   12.154  47.161     14.387  47.556     15.920  45.400     33.604  69.981  13.518  64.778  23.298  5.202858       26.93578 
1 1 1 -7  12 46 o 40.412   13.184  15.263     10.690  14.125     11.366  23.989     31.482  39.537  13.604  53.672  21.697  -14.13504      25.60862 
1 1 1 -7  12 47 o 60.065   12.804  35.162     13.018  25.874     14.046  91.721     34.661  50.910  14.870  90.470  22.126  -39.55980      26.65839 
1 1 1 -7  13 1  o 161.948  11.245  237.884    31.601  213.367    36.913  305.153    61.144  151.727 14.094  176.629 20.188  -24.90260      24.62144 
1 1 1 -7  13 2  o 89.008   11.631  72.760     17.645  77.096     21.202  62.990     31.825  90.790  13.809  78.487  22.219  12.30273       26.16042 
1 1 1 -7  13 3  o 98.235   11.709  88.435     19.688  89.063     23.894  87.105     34.745  97.412  14.489  92.546  21.851  4.866119       26.21857 
1 1 1 -7  13 4  o 89.445   12.425  73.925     18.881  64.418     23.027  93.436     32.987  81.652  16.714  96.924  20.149  -15.27156      26.17881 
1 1 1 -7  13 5  o 54.431   14.106  28.232     13.517  35.905     17.007  15.076     22.271  60.994  15.831  47.318  18.534  13.67643       24.37469 
1 1 1 -7  13 6  o 36.097   13.745  8.9008     12.002  15.590     15.159  -2.3373    19.648  43.557  15.650  36.545  16.036  7.011868       22.40695 
1 1 1 -7  13 7  o 85.161   12.839  67.361     18.498  66.617     22.139  69.083     33.670  83.483  15.766  81.982  22.730  1.500755       27.66228 
1 1 1 -7  13 8  o 175.464  12.908  282.096    39.269  240.414    48.619  360.305    66.598  158.544 17.875  192.249 20.139  -33.70483      26.92719 
1 1 1 -7  13 9  o 171.093  12.318  267.201    36.553  261.708    45.575  277.105    61.202  167.004 15.818  167.240 21.453  -0.2355194     26.65397 
1 1 1 -7  13 10 o 82.523   13.890  63.985     19.304  71.560     25.463  53.748     29.601  85.723  17.601  72.906  21.667  12.81700       27.91514 
1 1 1 -7  13 11 o 219.747  13.097  442.668    50.025  427.183    62.040  471.447    84.578  212.593 16.851  216.964 22.660  -4.371063      28.23923 
1 1 1 -7  13 12 f 94.863   12.080  82.859     19.556  73.401     23.535  103.952    35.147  87.550  15.985  102.057 20.436  -14.50716      25.94509 
1 1 1 -7  13 13 o 132.466  11.167  159.512    25.587  134.618    29.932  227.076    49.312  119.946 14.593  153.074 18.848  -33.12739      23.83670 
1 1 1 -7  13 14 o 98.092   11.587  88.240     19.463  79.073     22.877  112.263    37.033  91.416  14.841  105.816 20.785  -14.39942      25.53990 
1 1 1 -7  13 15 o 98.489   11.598  89.000     19.562  81.515     23.091  108.027    36.815  92.855  14.735  103.473 21.092  -10.61855      25.72917 
1 1 1 -7  13 16 o 172.156  10.810  268.487    32.330  259.682    37.771  292.620    62.529  167.967 12.979  171.245 21.378  -3.278000      25.00975 
1 1 1 -7  13 17 o 52.877   13.504  26.676     12.512  22.620     15.663  33.828     20.798  49.324  15.949  58.979  18.293  -9.654278      24.26971 
1 1 1 -7  13 18 o 117.581  10.859  125.934    22.042  119.519    26.061  142.057    41.317  113.298 13.435  119.042 20.625  -5.743813      24.61496 
1 1 1 -7  13 19 o 153.293  10.645  213.218    28.316  213.218    28.316  0.0000     0.0000  153.293 10.645  ?       ?       0.000000       10.64485 
1 1 1 -7  13 20 f 52.077   14.110  26.012     13.150  26.012     13.150  0.0000     0.0000  52.077  14.110  ?       ?       0.000000       14.11048 
1 1 1 -7  13 21 f 204.684  12.743  386.118    45.318  382.608    55.356  393.250    78.912  200.835 15.916  194.689 23.703  6.146286       28.55050 
1 1 1 -7  13 22 o 66.661   15.354  43.251     17.503  36.441     20.329  62.767     34.413  60.649  17.940  76.847  23.481  -16.19820      29.54981 
1 1 1 -7  13 23 o 144.865  12.993  194.914    32.515  176.463    39.215  235.500    58.160  134.980 17.017  150.708 22.816  -15.72849      28.46272 
1 1 1 -7  13 24 o 61.633   17.211  37.761     19.233  36.446     23.327  40.550     33.985  60.515  19.454  64.228  23.382  -3.713291      30.41637 
1 1 1 -7  13 25 o 134.178  25.363  195.763    57.244  0.0000     0.0000  195.763    57.244  ?       ?       134.178 25.363  0.000000       25.36270 
1 1 1 -7  13 26 o 74.045   24.852  59.715     37.907  0.0000     0.0000  59.715     37.907  ?       ?       74.045  24.852  0.000000       24.85176 
1 1 1 -7  13 27 o 49.418   20.710  12.593     30.070  0.0000     0.0000  12.593     30.070  ?       ?       49.418  20.710  0.000000       20.71043 
1 1 1 -7  13 28 o 92.872   16.087  84.464     25.141  75.151     31.717  100.208    41.238  84.047  21.520  94.820  24.672  -10.77281      32.73830 
1 1 1 -7  13 29 f 120.681  12.623  136.348    26.206  122.971    30.901  170.609    49.453  112.156 16.253  125.880 23.359  -13.72346      28.45746 
1 1 1 -7  13 30 o 74.538   12.482  52.699     15.671  51.113     17.405  59.488     36.013  72.558  14.246  73.192  24.214  -0.6342163     28.09396 
1 1 1 -7  13 31 o 46.419   13.626  20.772     11.768  19.656     12.776  27.016     30.222  45.432  14.375  55.477  21.629  -10.04504      25.97029 
1 1 1 -7  13 32 o 70.143   12.010  46.658     14.180  41.160     15.624  72.348     33.773  64.834  14.195  80.686  22.905  -15.85230      26.94716 
1 1 1 -7  13 33 o 43.800   12.692  18.417     10.268  13.436     10.965  53.938     29.280  38.831  13.361  70.334  21.687  -31.50301      25.47273 
1 1 1 -7  13 34 o 41.111   13.471  15.741     11.156  16.083     11.995  13.552     30.367  41.704  13.980  49.078  20.703  -7.373543      24.98049 
1 1 1 -7  13 35 o 69.439   13.068  46.639     15.263  48.393     16.812  38.416     36.399  70.182  14.207  61.410  23.794  8.772625       27.71237 
1 1 1 -7  13 36 o 54.107   14.283  29.097     13.692  32.906     15.038  10.628     33.115  57.311  14.892  48.906  21.146  8.404598       25.86321 
1 1 1 -7  13 37 o 65.723   16.670  44.488     19.159  34.406     22.746  69.104     35.541  57.426  19.251  76.683  23.935  -19.25686      30.71600 
1 1 1 -7  13 38 o 118.548  13.369  135.354    27.189  107.035    32.618  199.838    49.219  100.440 19.300  135.155 21.583  -34.71445      28.95332 
1 1 1 -7  13 39 o 51.618   14.695  26.822     13.880  24.709     15.300  36.644     32.990  49.607  15.735  58.990  22.709  -9.382599      27.62757 
1 1 1 -7  13 40 o 73.272   13.158  52.571     16.216  53.546     17.907  48.128     38.224  73.130  14.536  64.240  24.513  8.890404       28.49845 
1 1 1 -7  13 41 o 52.469   14.460  27.920     13.673  33.754     14.837  -4.9258    35.209  57.561  14.708  44.057  20.200  13.50392       24.98757 
1 1 1 -7  14 1  o 85.450   15.593  72.720     22.407  72.720     22.407  0.0000     0.0000  85.450  15.593  ?       ?       0.000000       15.59264 
1 1 1 -7  14 2  o 61.149   16.812  38.362     18.507  38.362     18.507  0.0000     0.0000  61.149  16.812  ?       ?       0.000000       16.81156 
1 1 1 -7  14 3  o 38.732   15.269  10.322     15.203  10.322     15.203  0.0000     0.0000  38.732  15.269  ?       ?       0.000000       15.26857 
1 1 1 -7  14 4  o 41.856   14.784  15.710     13.473  23.394     16.187  -1.6116    24.304  48.995  16.235  39.450  17.548  9.545910       23.90641 
1 1 1 -7  14 5  f 46.317   15.218  20.609     14.233  24.915     17.237  11.382     25.231  50.378  16.756  45.426  18.999  4.951927       25.33277 
1 1 1 -7  14 6  o 98.110   11.961  90.729     20.065  86.548     23.585  101.688    38.180  93.991  14.865  95.013  23.212  -1.021812      27.56405 
1 1 1 -7  14 7  o 184.324  11.235  315.221    35.987  298.988    42.022  359.872    69.694  176.990 13.705  182.214 22.376  -5.223633      26.23910 
1 1 1 -7  14 8  o 112.138  11.275  117.306    21.777  115.110    25.931  122.561    40.113  109.319 13.899  105.449 22.473  3.869240       26.42406 
1 1 1 -7  14 9  o 83.443   14.976  68.633     21.018  59.802     28.135  79.784     31.616  74.019  20.869  85.433  21.275  -11.41373      29.80204 
1 1 1 -7  14 10 o 103.724  13.336  103.046    23.593  98.681     30.599  109.445    37.050  97.598  18.635  100.035 21.825  -2.436943      28.69870 
1 1 1 -7  14 11 o 89.945   14.267  78.782     21.659  80.120     28.103  76.826     33.990  87.430  18.955  82.420  22.833  5.010132       29.67544 
1 1 1 -7  14 12 o 165.366  13.185  259.830    37.753  239.183    47.286  296.132    62.700  153.483 17.986  165.044 22.331  -11.56107      28.67301 
1 1 1 -7  14 13 o 86.594   19.080  78.940     28.070  59.917     45.606  90.541     35.615  71.001  26.851  89.719  22.713  -18.71758      35.16879 
1 1 1 -7  14 14 o 141.781  17.011  201.763    41.272  176.356    62.059  221.912    55.266  116.399 30.256  141.484 23.174  -25.08538      38.11061 
1 1 1 -7  14 15 o 80.849   27.213  82.147     45.452  82.147     45.452  0.0000     0.0000  80.849  27.213  ?       ?       0.000000       27.21253 
1 1 1 -7  14 16 o 75.457   27.610  71.609     47.474  71.609     47.474  0.0000     0.0000  75.457  27.610  ?       ?       0.000000       27.60996 
1 1 1 -7  14 17 o 53.978   22.697  21.519     36.312  21.519     36.312  0.0000     0.0000  53.978  22.697  ?       ?       0.000000       22.69695 
1 1 1 -7  14 18 o 21.888   10.345  -10.6887   10.410  -10.6887   10.410  0.0000     0.0000  21.888  10.345  ?       ?       0.000000       10.34464 
1 1 1 -7  14 19 o 35.492   15.194  3.0921     16.777  3.0921     16.777  0.0000     0.0000  35.492  15.194  ?       ?       0.000000       15.19428 
1 1 1 -7  14 20 o 125.130  16.662  157.934    35.500  157.934    35.500  0.0000     0.0000  125.130 16.662  ?       ?       0.000000       16.66240 
1 1 1 -7  14 21 o 117.204  24.431  159.886    48.377  159.886    48.377  0.0000     0.0000  117.204 24.431  ?       ?       0.000000       24.43108 
1 1 1 -7  14 22 o 99.067   11.715  92.959     19.872  92.785     22.459  93.585     42.654  97.758  13.519  86.428  26.083  11.33053       29.37829 
1 1 1 -7  14 23 o 91.555   12.365  80.321     19.262  78.872     21.711  85.680     41.751  89.365  14.403  82.432  25.976  6.933128       29.70177 
1 1 1 -7  14 24 o 146.092  10.992  199.736    27.835  188.305    31.751  237.693    57.857  139.841 13.158  143.380 23.955  -3.539795      27.33123 
1 1 1 -7  14 25 o 27.653   11.566  2.4420     9.3496  5.7722     9.8992  -25.0748   28.455  30.853  12.271  35.071  16.726  -4.218468      20.74414 
1 1 1 -7  14 26 o 40.294   13.712  15.223     11.542  13.610     12.453  25.055     30.748  39.198  14.171  52.725  21.397  -13.52674      25.66450 
1 1 1 -7  14 27 o 23.872   10.410  -0.6136    8.1661  -2.4299    8.5506  18.228     27.541  23.229  10.365  48.503  20.030  -25.27450      22.55341 
1 1 1 -7  14 28 o 65.717   13.982  43.350     15.551  39.880     17.175  59.141     36.635  61.920  15.826  68.933  24.376  -7.013447      29.06231 
1 1 1 -7  14 29 o 27.849   11.610  2.7905     9.3796  2.5034     10.084  4.6321     25.540  28.429  11.958  41.625  18.274  -13.19581      21.83833 
1 1 1 -7  14 30 f 72.613   13.174  52.200     16.088  49.822     17.802  62.796     37.579  69.672  15.072  69.927  24.692  -0.2549515     28.92821 
1 1 1 -7  14 31 o 30.021   11.955  5.5688     9.4086  9.6022     10.023  -24.3546   27.299  34.071  12.648  33.959  16.247  0.1118660      20.58945 
1 1 1 -7  14 32 o 85.794   11.894  71.313     17.338  69.186     19.401  79.747     38.635  83.086  13.862  77.568  25.046  5.517342       28.62615 
1 1 1 -7  14 33 o 62.068   14.395  39.664     15.298  29.306     17.248  77.849     33.117  52.367  16.717  79.195  22.748  -26.82865      28.22972 
1 1 1 -7  15 1  o 154.525  16.935  257.087    44.944  241.220    63.624  272.891    63.497  128.005 29.122  141.604 26.660  -13.59874      39.48221 
1 1 1 -7  15 2  o 81.788   19.418  77.662     27.316  76.058     39.465  79.138     37.848  72.633  25.329  75.097  24.822  -2.463745      35.46378 
1 1 1 -7  15 3  o 93.820   16.136  93.639     25.481  78.810     32.573  117.022    40.903  78.490  22.565  93.687  24.665  -15.19688      33.42974 
1 1 1 -7  15 4  o 100.625  12.409  99.927     21.341  94.889     24.915  113.807    41.355  95.092  15.543  91.614  25.107  3.477959       29.52873 
1 1 1 -7  15 5  o 83.347   15.865  73.695     22.245  73.695     22.245  0.0000     0.0000  83.347  15.865  ?       ?       0.000000       15.86537 
1 1 1 -7  15 6  o 59.192   16.887  38.745     18.310  38.745     18.310  0.0000     0.0000  59.192  16.887  ?       ?       0.000000       16.88669 
1 1 1 -7  15 7  o 49.383   16.073  26.070     15.893  26.070     15.893  0.0000     0.0000  49.383  16.073  ?       ?       0.000000       16.07345 
1 1 1 -7  15 8  o 87.078   15.669  79.885     22.947  79.885     22.947  0.0000     0.0000  87.078  15.669  ?       ?       0.000000       15.66862 
1 1 1 -7  15 9  o 37.886   14.895  11.623     14.433  11.623     14.433  0.0000     0.0000  37.886  14.895  ?       ?       0.000000       14.89548 
1 1 1 -7  15 10 o 57.791   16.895  36.933     18.125  36.933     18.125  0.0000     0.0000  57.791  16.895  ?       ?       0.000000       16.89536 
1 1 1 -7  15 11 o 40.092   15.268  14.491     14.812  14.491     14.812  0.0000     0.0000  40.092  15.268  ?       ?       0.000000       15.26834 
1 1 1 -7  15 12 o 116.144  11.868  131.572    23.731  123.249    27.797  153.941    45.570  109.169 14.978  108.850 24.561  0.3188095      28.76716 
1 1 1 -7  15 13 o 153.447  14.309  239.588    37.896  188.725    47.714  326.492    62.368  123.574 22.959  164.005 22.362  -40.43126      32.04952 
1 1 1 -7  15 14 o 72.566   15.753  56.261     19.388  55.869     26.026  56.750     29.062  67.881  20.349  66.914  21.733  0.9668274      29.77290 
1 1 1 -7  15 15 o 37.206   14.561  11.313     13.739  9.8481     19.939  12.638     18.957  39.688  16.761  40.662  16.685  -0.9735603     23.64994 
1 1 1 -7  15 16 o 101.667  12.455  102.365    21.647  94.087     25.950  121.301    39.250  93.507  16.497  97.244  23.400  -3.737411      28.63058 
1 1 1 -7  15 17 o 77.299   16.432  64.897     21.495  64.897     21.495  0.0000     0.0000  77.299  16.432  ?       ?       0.000000       16.43166 
1 1 1 -7  15 18 o 65.563   15.716  46.455     17.758  46.455     17.758  0.0000     0.0000  65.563  15.716  ?       ?       0.000000       15.71614 
1 1 1 -7  15 19 o 97.415   13.018  95.424     21.589  95.424     21.589  0.0000     0.0000  97.415  13.018  ?       ?       0.000000       13.01779 
1 1 1 -7  15 20 o 49.201   16.903  26.594     17.544  26.594     17.544  0.0000     0.0000  49.201  16.903  ?       ?       0.000000       16.90298 
1 1 1 -7  15 21 o 33.911   14.539  4.6802     15.403  4.6802     15.403  0.0000     0.0000  33.911  14.539  ?       ?       0.000000       14.53915 
1 1 1 -6  0  1  o 277.811  16.316  682.000    78.518  682.000    78.518  682.000    78.518  277.811 16.316  277.811 16.316  0.000000       0.000000 
1 1 1 -6  0  2  o 46.551   16.706  25.059     12.418  25.059     12.418  25.059     12.418  46.551  16.706  46.551  16.706  0.000000       0.000000 
1 1 1 -6  0  3  o 160.822  14.169  231.330    39.076  231.330    39.076  231.330    39.076  160.822 14.169  160.822 14.169  0.000000       0.000000 
1 1 1 -6  0  4  o 711.231  29.532  4466.84    365.303 4466.84    365.303 4466.84    365.303 711.231 29.532  711.231 29.532  0.000000       0.000000 
1 1 1 -6  0  5  f 1021.59  40.641  9265.09    722.331 9265.09    722.331 9265.09    722.331 1021.59 40.641  1021.59 40.641  0.000000       0.000000 
1 1 1 -6  0  6  f 742.663  30.620  4873.67    395.534 4873.67    395.534 4873.67    395.534 742.663 30.620  742.663 30.620  0.000000       0.000000 
1 1 1 -6  0  7  o 319.803  17.355  902.823    96.256  902.823    96.256  902.823    96.256  319.803 17.355  319.803 17.355  0.000000       0.000000 
1 1 1 -6  0  8  o 520.564  23.190  2389.98    209.834 2389.98    209.834 2389.98    209.834 520.564 23.190  520.564 23.190  0.000000       0.000000 
1 1 1 -6  0  9  o 286.412  16.523  724.886    82.001  724.886    82.001  724.886    82.001  286.412 16.523  286.412 16.523  0.000000       0.000000 
1 1 1 -6  0  10 o 573.262  24.882  2900.38    247.991 2900.38    247.991 2900.38    247.991 573.262 24.882  573.262 24.882  0.000000       0.000000 
1 1 1 -6  0  11 o 228.821  15.213  464.080    60.167  464.080    60.167  464.080    60.167  228.821 15.213  228.821 15.213  0.000000       0.000000 
1 1 1 -6  0  12 o 25.299   14.303  7.3437     9.7052  7.3437     9.7052  7.3437     9.7052  25.299  14.303  25.299  14.303  0.000000       0.000000 
1 1 1 -6  0  13 o 277.608  23.501  690.685    112.037 690.685    112.037 690.685    112.037 277.608 23.501  277.608 23.501  0.000000       0.000000 
1 1 1 -6  0  14 o 50.288   21.234  31.346     18.831  31.346     18.831  31.346     18.831  50.288  21.234  50.288  21.234  0.000000       0.000000 
1 1 1 -6  0  15 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -6  0  16 o 329.256  17.723  958.027    101.216 958.027    101.216 958.027    101.216 329.256 17.723  329.256 17.723  0.000000       0.000000 
1 1 1 -6  0  17 o 231.196  22.143  482.027    87.505  482.027    87.505  482.027    87.505  231.196 22.143  231.196 22.143  0.000000       0.000000 
1 1 1 -6  0  18 o 713.153  42.879  4590.42    529.522 4590.42    529.522 4590.42    529.522 713.153 42.879  713.153 42.879  0.000000       0.000000 
1 1 1 -6  0  19 o 300.911  24.315  811.953    125.834 811.953    125.834 811.953    125.834 300.911 24.315  300.911 24.315  0.000000       0.000000 
1 1 1 -6  0  20 o 1268.33  50.342  14604.77   1110.90 14604.77   1110.90 14604.77   1110.90 1268.33 50.342  1268.33 50.342  0.000000       0.000000 
1 1 1 -6  0  21 o 139.148  13.958  174.546    33.130  174.546    33.130  174.546    33.130  139.148 13.958  139.148 13.958  0.000000       0.000000 
1 1 1 -6  0  22 o 898.483  36.469  7222.11    569.989 7222.11    569.989 7222.11    569.989 898.483 36.469  898.483 36.469  0.000000       0.000000 
1 1 1 -6  0  23 o 287.978  16.580  734.193    82.736  734.193    82.736  734.193    82.736  287.978 16.580  287.978 16.580  0.000000       0.000000 
1 1 1 -6  0  24 o 104.157  14.084  100.039    24.296  100.039    24.296  100.039    24.296  104.157 14.084  104.157 14.084  0.000000       0.000000 
1 1 1 -6  0  25 o 239.640  15.495  509.417    64.212  509.417    64.212  509.417    64.212  239.640 15.495  239.640 15.495  0.000000       0.000000 
1 1 1 -6  0  26 o 177.494  14.371  281.227    43.866  281.227    43.866  281.227    43.866  177.494 14.371  177.494 14.371  0.000000       0.000000 
1 1 1 -6  0  27 o 256.422  15.815  582.586    70.191  582.586    70.191  582.586    70.191  256.422 15.815  256.422 15.815  0.000000       0.000000 
1 1 1 -6  0  28 o 184.425  14.491  303.240    46.000  303.240    46.000  303.240    46.000  184.425 14.491  184.425 14.491  0.000000       0.000000 
1 1 1 -6  0  29 o 205.703  14.849  376.198    52.694  376.198    52.694  376.198    52.694  205.703 14.849  205.703 14.849  0.000000       0.000000 
1 1 1 -6  0  30 f 88.608   14.704  74.115     20.866  74.115     20.866  74.115     20.866  88.608  14.704  88.608  14.704  0.000000       0.000000 
1 1 1 -6  0  31 o 329.212  25.327  969.715    143.603 969.715    143.603 969.715    143.603 329.212 25.327  329.212 25.327  0.000000       0.000000 
1 1 1 -6  0  32 o 304.849  24.462  832.179    128.281 832.179    128.281 832.179    128.281 304.849 24.462  304.849 24.462  0.000000       0.000000 
1 1 1 -6  0  33 o 478.059  31.444  2042.30    259.864 2042.30    259.864 2042.30    259.864 478.059 31.444  478.059 31.444  0.000000       0.000000 
1 1 1 -6  0  34 o 378.421  27.220  1279.33    177.721 1279.33    177.721 1279.33    177.721 378.421 27.220  378.421 27.220  0.000000       0.000000 
1 1 1 -6  0  35 o 100.220  14.310  93.071     23.563  93.071     23.563  93.071     23.563  100.220 14.310  100.220 14.310  0.000000       0.000000 
1 1 1 -6  0  36 o 81.520   15.352  63.948     19.588  63.948     19.588  63.948     19.588  81.520  15.352  81.520  15.352  0.000000       0.000000 
1 1 1 -6  0  37 o 227.719  15.209  459.897    59.853  459.897    59.853  459.897    59.853  227.719 15.209  227.719 15.209  0.000000       0.000000 
1 1 1 -6  0  38 o 133.439  13.111  160.203    29.872  160.203    29.872  160.203    29.872  133.439 13.111  133.439 13.111  0.000000       0.000000 
1 1 1 -6  0  39 o 219.091  15.109  426.123    57.167  426.123    57.167  426.123    57.167  219.091 15.109  219.091 15.109  0.000000       0.000000 
1 1 1 -6  0  40 o 356.611  18.160  1123.31    112.405 1123.31    112.405 1123.31    112.405 356.611 18.160  356.611 18.160  0.000000       0.000000 
1 1 1 -6  0  41 o 210.353  14.993  393.243    54.425  393.243    54.425  393.243    54.425  210.353 14.993  210.353 14.993  0.000000       0.000000 
1 1 1 -6  0  42 o 478.177  21.864  2021.26    181.681 2021.26    181.681 2021.26    181.681 478.177 21.864  478.177 21.864  0.000000       0.000000 
1 1 1 -6  0  43 f 470.138  21.276  1953.52    173.840 1953.52    173.840 1953.52    173.840 470.138 21.276  470.138 21.276  0.000000       0.000000 
1 1 1 -6  0  44 o 222.346  15.273  439.128    58.651  439.128    58.651  439.128    58.651  222.346 15.273  222.346 15.273  0.000000       0.000000 
1 1 1 -6  0  45 o 326.611  25.351  957.007    142.573 957.007    142.573 957.007    142.573 326.611 25.351  326.611 25.351  0.000000       0.000000 
1 1 1 -6  0  46 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -6  0  47 o 343.932  26.070  1062.31    154.489 1062.31    154.489 1062.31    154.489 343.932 26.070  343.932 26.070  0.000000       0.000000 
1 1 1 -6  0  48 o 863.330  51.673  6896.23    772.551 6896.23    772.551 6896.23    772.551 863.330 51.673  863.330 51.673  0.000000       0.000000 
1 1 1 -6  0  49 o 638.113  27.269  3627.22    302.571 3627.22    302.571 3627.22    302.571 638.113 27.269  638.113 27.269  0.000000       0.000000 
1 1 1 -6  0  50 o 423.307  20.444  1589.46    150.304 1589.46    150.304 1589.46    150.304 423.307 20.444  423.307 20.444  0.000000       0.000000 
1 1 1 -6  0  51 o 618.685  26.034  3413.14    280.102 3413.14    280.102 3413.14    280.102 618.685 26.034  618.685 26.034  0.000000       0.000000 
1 1 1 -6  0  52 o 383.523  19.031  1305.72    126.730 1305.72    126.730 1305.72    126.730 383.523 19.031  383.523 19.031  0.000000       0.000000 
1 1 1 -6  0  53 o 269.172  16.301  644.321    75.972  644.321    75.972  644.321    75.972  269.172 16.301  269.172 16.301  0.000000       0.000000 
1 1 1 -6  0  54 o 49.373   20.793  30.391     18.066  30.391     18.066  30.391     18.066  49.373  20.793  49.373  20.793  0.000000       0.000000 
1 1 1 -6  0  55 o 236.169  16.019  498.171    65.360  498.171    65.360  498.171    65.360  236.169 16.019  236.169 16.019  0.000000       0.000000 
1 1 1 -6  0  56 o 228.240  15.946  466.215    62.836  466.215    62.836  466.215    62.836  228.240 15.946  228.240 15.946  0.000000       0.000000 
1 1 1 -6  0  57 o 160.457  23.969  244.806    62.740  244.806    62.740  244.806    62.740  160.457 23.969  160.457 23.969  0.000000       0.000000 
1 1 1 -6  0  58 o 41.722   24.574  18.618     30.490  18.618     30.490  18.618     30.490  41.722  24.574  41.722  24.574  0.000000       0.000000 
1 1 1 -6  0  59 o 395.639  29.250  1461.48    199.523 1461.48    199.523 1461.48    199.523 395.639 29.250  395.639 29.250  0.000000       0.000000 
1 1 1 -6  0  60 o 104.188  29.611  119.567    46.669  119.567    46.669  119.567    46.669  104.188 29.611  104.188 29.611  0.000000       0.000000 
1 1 1 -6  0  61 o 59.356   25.154  45.239     26.409  45.239     26.409  45.239     26.409  59.356  25.154  59.356  25.154  0.000000       0.000000 
1 1 1 -6  0  62 o 127.810  17.325  153.910    36.661  153.910    36.661  153.910    36.661  127.810 17.325  127.810 17.325  0.000000       0.000000 
1 1 1 -6  0  63 o 247.534  16.676  557.817    71.323  557.817    71.323  557.817    71.323  247.534 16.676  247.534 16.676  0.000000       0.000000 
1 1 1 -6  0  64 o 156.754  16.576  228.462    44.209  228.462    44.209  228.462    44.209  156.754 16.576  156.754 16.576  0.000000       0.000000 
1 1 1 -6  0  65 o 19.050   13.500  -23.1127   18.709  -23.1127   18.709  -23.1127   18.709  19.050  13.500  19.050  13.500  0.000000       0.000000 
1 1 1 -6  0  66 o 359.667  19.326  1204.16    120.566 1204.16    120.566 1204.16    120.566 359.667 19.326  359.667 19.326  0.000000       0.000000 
1 1 1 -6  0  67 o 81.096   24.177  75.272     29.803  75.272     29.803  75.272     29.803  81.096  24.177  81.096  24.177  0.000000       0.000000 
1 1 1 -6  0  68 o 76.892   24.075  69.297     28.362  69.297     28.362  69.297     28.362  76.892  24.075  76.892  24.075  0.000000       0.000000 
1 1 1 -6  0  69 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -6  0  70 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -6  0  71 o 107.478  31.543  144.130    51.427  144.130    51.427  144.130    51.427  107.478 31.543  107.478 31.543  0.000000       0.000000 
1 1 1 -6  0  72 o 38.934   22.415  21.568     24.446  21.568     24.446  21.568     24.446  38.934  22.415  38.934  22.415  0.000000       0.000000 
1 1 1 -6  0  73 o 165.334  16.969  267.816    47.804  267.816    47.804  267.816    47.804  165.334 16.969  165.334 16.969  0.000000       0.000000 
1 1 1 -6  0  74 o 54.260   25.236  44.993     26.542  44.993     26.542  44.993     26.542  54.260  25.236  54.260  25.236  0.000000       0.000000 
1 1 1 -6  0  75 o 14.272   10.444  -38.4292   16.381  -38.4292   16.381  -38.4292   16.381  14.272  10.444  14.272  10.444  0.000000       0.000000 
1 1 1 -6  1  1  o 92.667   9.1073  75.789     14.546  98.194     20.650  53.727     20.492  105.331 11.410  76.900  15.790  28.43131       19.48125 
1 1 1 -6  1  2  o 560.669  17.179  2757.17    168.174 2724.17    237.835 2790.17    237.833 555.972 24.500  562.730 24.205  -6.758301      34.44022 
1 1 1 -6  1  3  o 483.133  15.452  2045.51    130.351 2079.98    184.351 2011.04    184.337 486.298 21.711  478.110 22.081  8.187225       30.96689 
1 1 1 -6  1  4  o 794.410  26.408  5570.62    366.307 5205.14    634.473 5753.35    448.629 756.916 48.258  805.310 31.905  -48.39478      57.85161 
1 1 1 -6  1  5  o 180.778  11.410  287.043    35.830  208.664    62.014  326.320    43.899  152.066 24.164  192.622 13.131  -40.55592      27.50112 
1 1 1 -6  1  6  o 339.860  14.208  1011.70    84.314  1175.54    146.088 929.867    103.245 364.667 23.062  324.974 18.269  39.69339       29.42165 
1 1 1 -6  1  7  o 383.375  18.755  1290.58    125.547 1442.85    177.570 1138.37    177.530 403.642 25.323  357.587 28.674  46.05408       38.25542 
1 1 1 -6  1  8  o 915.720  36.905  7488.08    590.086 7512.10    834.500 7464.06    834.515 905.161 53.032  902.101 53.216  3.059753       75.12880 
1 1 1 -6  1  9  o 131.411  13.613  152.851    30.782  118.412    43.533  187.287    43.531  113.995 22.669  145.043 17.545  -31.04782      28.66566 
1 1 1 -6  1  10 o 476.383  17.517  1992.04    145.706 2028.78    252.399 1973.67    178.444 477.240 30.448  473.521 21.582  3.719025       37.32130 
1 1 1 -6  1  11 o 388.106  15.224  1320.57    103.164 1505.34    178.745 1228.27    126.329 412.183 24.954  373.307 19.448  38.87640       31.63725 
1 1 1 -6  1  12 o 239.772  12.338  504.667    51.477  589.562    89.217  462.300    63.027  258.151 19.948  229.036 15.858  29.11485       25.48290 
1 1 1 -6  1  13 o 348.102  14.460  1062.20    87.887  1174.16    152.285 1006.29    107.619 363.912 24.103  337.919 18.308  25.99313       30.26725 
1 1 1 -6  1  14 o 566.322  19.409  2821.29    191.929 2852.00    235.082 2759.91    332.377 568.347 23.689  554.641 34.492  13.70599       41.84288 
1 1 1 -6  1  15 o 406.409  15.982  1449.74    113.410 1405.43    138.905 1538.31    196.411 399.562 19.910  415.689 27.211  -16.12695      33.71681 
1 1 1 -6  1  16 o 236.293  12.313  490.392    50.625  475.931    62.012  519.290    87.658  232.380 15.370  241.840 20.966  -9.460205      25.99657 
1 1 1 -6  1  17 o 404.096  28.081  1457.85    196.905 0.0000     0.0000  1457.85    196.905 ?       ?       404.096 28.081  0.000000       28.08122 
1 1 1 -6  1  18 o 199.434  20.889  354.520    71.661  0.0000     0.0000  354.520    71.661  ?       ?       199.434 20.889  0.000000       20.88889 
1 1 1 -6  1  19 o 424.737  20.096  1590.53    149.037 0.0000     0.0000  1590.53    149.037 ?       ?       424.737 20.096  0.000000       20.09607 
1 1 1 -6  1  20 o 379.584  18.446  1268.69    122.256 0.0000     0.0000  1268.69    122.256 ?       ?       379.584 18.446  0.000000       18.44584 
1 1 1 -6  1  21 o 78.301   13.373  55.265     17.627  55.265     17.627  0.0000     0.0000  78.301  13.373  ?       ?       0.000000       13.37337 
1 1 1 -6  1  22 o 282.407  16.348  703.416    80.266  703.416    80.266  0.0000     0.0000  282.407 16.348  ?       ?       0.000000       16.34761 
1 1 1 -6  1  23 o 586.032  25.361  3048.50    259.509 3048.50    259.509 0.0000     0.0000  586.032 25.361  ?       ?       0.000000       25.36107 
1 1 1 -6  1  24 o 161.636  13.967  230.914    39.033  230.914    39.033  0.0000     0.0000  161.636 13.967  ?       ?       0.000000       13.96746 
1 1 1 -6  1  25 o 621.788  21.492  3413.99    233.335 3388.58    285.780 3464.82    404.134 617.653 26.499  618.200 37.619  -0.5472412     46.01469 
1 1 1 -6  1  26 o 67.905   11.142  41.426     12.752  34.592     15.648  54.940     22.004  61.564  14.750  77.599  16.732  -16.03537      22.30544 
1 1 1 -6  1  27 o 490.027  17.981  2111.72    153.853 2021.88    188.433 2291.41    266.475 478.494 22.554  506.237 30.286  -27.74307      37.76095 
1 1 1 -6  1  28 o 180.440  14.192  287.221    44.354  287.221    44.354  0.0000     0.0000  180.440 14.192  ?       ?       0.000000       14.19244 
1 1 1 -6  1  29 o 72.581   11.186  47.179     13.721  53.606     16.787  34.244     23.816  77.198  12.910  62.681  19.597  14.51718       23.46742 
1 1 1 -6  1  30 o 641.040  19.028  3611.63    212.980 3599.63    301.194 3623.63    301.203 637.812 27.045  639.963 26.955  -2.151428      38.18410 
1 1 1 -6  1  31 o 226.579  10.450  449.051    41.342  439.814    58.460  458.291    58.473  223.508 15.068  228.214 14.753  -4.705795      21.08755 
1 1 1 -6  1  32 o 153.486  9.5889  206.787    25.570  189.502    36.062  224.263    36.261  146.391 14.290  159.508 13.136  -13.11729      19.41067 
1 1 1 -6  1  33 o 360.057  12.819  1134.81    80.591  1132.94    113.930 1136.68    114.015 358.818 18.245  359.414 18.228  -0.5962524     25.78969 
1 1 1 -6  1  34 o 379.265  13.207  1259.26    87.463  1261.78    123.673 1256.73    123.709 379.123 18.682  378.359 18.726  0.7644958      26.45142 
1 1 1 -6  1  35 o 423.726  16.303  1573.98    120.618 1609.40    147.729 1503.16    208.909 428.052 19.765  411.199 29.288  16.85248       35.33352 
1 1 1 -6  1  36 o 722.052  24.296  4593.37    306.319 4534.94    530.574 4622.58    375.157 709.404 43.038  722.714 29.729  -13.30963      52.30737 
1 1 1 -6  1  37 o 214.072  12.034  402.248    44.799  443.415    77.689  381.740    54.835  223.778 20.097  208.184 15.190  15.59421       25.19186 
1 1 1 -6  1  38 o 1029.27  33.312  9410.82    598.677 9509.95    1036.99 9361.27    733.209 1014.99 58.764  1021.98 41.089  -6.993713      71.70401 
1 1 1 -6  1  39 o 760.137  31.116  5122.82    412.993 5247.16    584.130 4998.54    583.991 762.317 44.073  743.342 45.209  18.97437       63.13649 
1 1 1 -6  1  40 o 369.505  15.083  1196.44    97.310  1139.73    168.492 1224.82    119.200 358.167 27.144  373.538 18.276  -15.37048      32.72296 
1 1 1 -6  1  41 o 351.346  14.656  1081.58    89.911  1082.22    155.700 1081.26    110.130 349.241 25.714  350.512 18.056  -1.271088      31.41982 
1 1 1 -6  1  42 o 437.274  16.682  1677.28    127.371 1681.31    220.580 1675.26    156.008 434.734 29.229  436.488 20.470  -1.754303      35.68381 
1 1 1 -6  1  43 o 619.424  21.372  3376.72    231.156 3414.97    400.295 3357.58    283.135 616.837 37.342  616.398 26.307  0.4386597      45.67802 
1 1 1 -6  1  44 o 25.186   10.344  1.7002     7.2944  -3.8899    10.140  7.6946     10.501  25.530  11.347  34.477  12.917  -8.946882      17.19270 
1 1 1 -6  1  45 o 323.490  11.961  916.066    67.557  937.391    95.610  894.804    95.471  326.374 16.835  318.796 17.215  7.578308       24.07840 
1 1 1 -6  1  46 o 194.985  10.157  333.496    34.460  293.286    48.744  373.675    48.725  182.210 15.467  206.064 13.619  -23.85349      20.60833 
1 1 1 -6  1  47 o 372.357  15.072  1216.15    97.993  1255.13    120.111 1138.56    169.460 377.873 18.204  357.374 27.365  20.49866       32.86700 
1 1 1 -6  1  48 o 352.001  12.681  1085.52    77.941  1166.51    110.435 1005.14    110.016 364.341 17.359  337.513 18.742  26.82816       25.54619 
1 1 1 -6  1  49 o 349.070  18.177  1074.74    110.408 1093.42    156.189 1056.09    156.093 350.336 25.713  344.146 26.173  6.190674       36.68981 
1 1 1 -6  1  50 f 120.205  13.455  128.270    27.756  104.219    34.970  169.220    45.631  107.154 19.405  137.232 19.600  -30.07756      27.58122 
1 1 1 -6  1  51 o 539.802  18.666  2567.26    175.929 2727.67    215.660 2248.15    304.178 555.351 22.240  498.268 35.189  57.08340       41.62785 
1 1 1 -6  1  52 o 531.147  18.634  2487.38    172.815 2386.18    211.406 2691.20    300.032 518.787 23.338  546.661 31.567  -27.87445      39.25772 
1 1 1 -6  1  53 o 280.865  13.420  692.554    65.812  709.278    80.523  658.906    114.216 283.396 16.342  271.193 24.381  12.20264       29.35123 
1 1 1 -6  1  54 o 364.363  14.575  1167.45    92.729  1118.50    113.438 1266.03    160.984 355.442 18.340  376.173 24.646  -20.73090      30.72103 
1 1 1 -6  1  55 o 371.331  18.917  1223.20    122.247 1219.36    172.300 1227.09    173.473 367.745 27.023  368.870 27.124  -1.125793      38.28746 
1 1 1 -6  1  56 o 68.462   14.961  42.894     17.385  40.337     20.380  49.729     33.316  66.344  17.383  74.686  23.151  -8.341461      28.95068 
1 1 1 -6  1  57 f 322.810  12.047  916.062    67.905  826.066    95.403  1008.47    96.675  304.744 18.009  337.712 16.395  -32.96811      24.35406 
1 1 1 -6  1  58 o 159.960  12.233  226.454    33.907  173.691    56.741  255.762    42.288  136.945 24.635  169.629 14.414  -32.68396      28.54254 
1 1 1 -6  1  59 o 262.252  11.242  604.987    51.480  565.034    72.415  645.812    73.200  251.824 16.561  269.585 15.618  -17.76083      22.76387 
1 1 1 -6  1  60 o 280.047  11.613  690.868    56.786  659.881    79.811  722.638    80.814  271.848 16.898  284.734 16.323  -12.88580      23.49421 
1 1 1 -6  1  61 o 454.746  16.976  1844.07    134.795 1541.87    232.881 1996.33    165.300 402.820 33.412  471.170 20.092  -68.34973      38.98780 
1 1 1 -6  1  62 o 175.395  12.634  273.479    38.433  226.544    64.764  298.993    47.750  155.594 24.661  182.753 15.099  -27.15831      28.91603 
1 1 1 -6  1  63 o 120.026  13.643  129.481    28.084  93.142     48.564  147.740    34.424  98.359  27.308  127.734 15.769  -29.37438      31.53392 
1 1 1 -6  1  64 o 168.131  11.058  250.911    32.282  260.186    45.696  241.670    45.613  169.879 15.579  163.465 16.194  6.413452       22.47099 
1 1 1 -6  1  65 o 193.099  12.819  332.955    42.976  396.318    74.803  301.735    52.506  207.066 20.979  182.372 16.673  24.69466       26.79756 
1 1 1 -6  1  66 o 95.236   15.120  83.262     24.303  97.786     43.397  76.625     29.334  100.155 24.917  90.066  19.238  10.08888       31.47928 
1 1 1 -6  1  67 o 138.174  13.199  172.098    31.458  176.661    55.253  169.909    38.265  135.275 24.285  136.133 16.431  -0.8581085     29.32094 
1 1 1 -6  1  68 o 152.560  12.698  209.439    33.518  269.391    58.202  179.690    40.999  169.662 20.033  139.492 17.197  30.17000       26.40190 
1 1 1 -6  1  69 o 163.551  10.987  239.141    31.193  233.071    44.365  245.075    43.868  159.307 16.174  163.701 15.533  -4.393173      22.42468 
1 1 1 -6  1  70 o 154.305  11.138  213.453    29.807  229.282    42.701  198.411    41.626  157.981 15.687  146.444 16.571  11.53674       22.81856 
1 1 1 -6  1  71 o 180.634  11.090  292.552    34.807  287.363    49.484  297.634    48.970  176.405 16.248  179.842 15.754  -3.436798      22.63128 
1 1 1 -6  1  72 o 114.388  14.654  120.935    28.595  115.005    34.927  132.992    49.800  109.558 18.944  114.179 25.610  -4.621765      31.85491 
1 1 1 -6  1  73 o 189.810  13.148  328.033    43.306  312.533    52.803  359.885    75.691  182.968 16.712  191.024 23.167  -8.055817      28.56618 
1 1 1 -6  1  74 o 91.856   15.963  80.030     24.673  97.990     30.644  46.929     41.602  100.830 18.070  70.738  25.852  30.09193       31.54082 
1 1 1 -6  2  1  o 393.118  27.561  1374.56    187.987 0.0000     0.0000  1374.56    187.987 ?       ?       393.118 27.561  0.000000       27.56115 
1 1 1 -6  2  2  o 451.055  30.049  1813.27    235.303 0.0000     0.0000  1813.27    235.303 ?       ?       451.055 30.049  0.000000       30.04890 
1 1 1 -6  2  3  o 593.748  36.752  3165.31    379.143 0.0000     0.0000  3165.31    379.143 ?       ?       593.748 36.752  0.000000       36.75178 
1 1 1 -6  2  4  o 342.322  25.524  1040.88    151.464 0.0000     0.0000  1040.88    151.464 ?       ?       342.322 25.524  0.000000       25.52382 
1 1 1 -6  2  5  o 430.723  20.488  1632.29    154.082 0.0000     0.0000  1632.29    154.082 ?       ?       430.723 20.488  0.000000       20.48758 
1 1 1 -6  2  6  o 436.163  20.360  1673.75    155.057 0.0000     0.0000  1673.75    155.057 ?       ?       436.163 20.360  0.000000       20.36008 
1 1 1 -6  2  7  o 250.260  15.470  551.335    67.267  0.0000     0.0000  551.335    67.267  ?       ?       250.260 15.470  0.000000       15.46968 
1 1 1 -6  2  8  o 424.283  19.889  1583.59    147.345 0.0000     0.0000  1583.59    147.345 ?       ?       424.283 19.889  0.000000       19.88919 
1 1 1 -6  2  9  o 210.691  12.022  389.902    44.042  426.254    76.231  371.689    53.958  219.190 20.144  205.321 15.158  13.86865       25.20975 
1 1 1 -6  2  10 o 454.400  16.317  1812.30    129.458 1423.94    224.128 2006.74    158.589 398.406 32.502  477.699 19.013  -79.29361      37.65470 
1 1 1 -6  2  11 o 707.392  23.546  4418.81    290.836 4017.14    503.676 4619.72    356.224 664.087 43.681  721.489 28.277  -57.40210      52.03479 
1 1 1 -6  2  12 o 434.383  16.567  1657.01    125.652 1618.62    217.581 1676.22    153.910 425.682 29.454  436.272 20.204  -10.59027      35.71816 
1 1 1 -6  2  13 o 344.226  14.567  1039.33    87.553  943.947    107.230 1230.09    151.645 327.004 18.860  372.396 23.441  -45.39282      30.08669 
1 1 1 -6  2  14 o 143.033  11.016  180.158    27.299  165.824    33.428  208.856    47.301  136.777 14.204  153.067 18.045  -16.28973      22.96458 
1 1 1 -6  2  15 f 572.848  20.044  2892.04    200.486 2894.92    245.557 2886.27    347.214 571.778 24.596  565.715 35.328  6.063660       43.04654 
1 1 1 -6  2  16 o 25.859   8.5231  5.5656     4.4635  11.547     8.1246  2.9801     5.3418  36.527  11.451  23.473  9.1093  13.05398       14.63205 
1 1 1 -6  2  17 o 146.731  11.589  189.760    29.451  138.959    51.081  215.054    36.044  123.127 24.620  156.037 13.358  -32.90983      28.01090 
1 1 1 -6  2  18 o 243.036  11.807  517.516    50.102  655.921    86.897  448.594    61.320  272.317 18.383  225.434 15.676  46.88350       24.15923 
1 1 1 -6  2  19 o 485.032  17.286  2069.96    146.396 2388.64    253.671 1910.82    179.261 516.983 28.208  464.874 22.085  52.10925       35.82504 
1 1 1 -6  2  20 o 448.734  16.741  1771.06    131.166 1582.43    227.238 1865.31    160.628 419.257 31.266  459.792 20.008  -40.53430      37.11960 
1 1 1 -6  2  21 o 402.580  13.323  1421.63    93.655  1482.34    187.367 1401.42    108.132 407.452 26.480  399.373 15.506  8.078552       30.68613 
1 1 1 -6  2  22 f 573.868  17.250  2897.72    172.845 2804.55    244.433 2990.91    244.445 562.196 24.901  580.870 24.101  -18.67328      34.65414 
1 1 1 -6  2  23 o 449.979  16.476  1780.18    129.448 1533.99    224.128 1903.41    158.569 412.858 31.324  464.632 19.546  -51.77368      36.92212 
1 1 1 -6  2  24 o 108.519  10.994  104.171    20.545  105.620    35.482  103.440    25.199  107.855 19.561  107.744 13.704  0.1113892      23.88435 
1 1 1 -6  2  25 o 55.889   10.670  28.256     10.033  25.768     17.149  29.551     12.371  54.132  16.581  56.952  12.757  -2.819576      20.92108 
1 1 1 -6  2  26 o 398.353  19.165  1397.01    133.301 1397.01    133.301 0.0000     0.0000  398.353 19.165  ?       ?       0.000000       19.16474 
1 1 1 -6  2  27 f 138.642  13.173  169.945    31.506  169.945    31.506  0.0000     0.0000  138.642 13.173  ?       ?       0.000000       13.17307 
1 1 1 -6  2  28 f 692.089  41.865  4343.08    503.536 4343.08    503.536 0.0000     0.0000  692.089 41.865  ?       ?       0.000000       41.86537 
1 1 1 -6  2  29 o 255.851  12.447  573.140    55.607  571.562    68.080  576.304    96.383  254.848 15.371  254.879 21.869  -0.3073120E-01 26.73083 
1 1 1 -6  2  30 o 914.610  29.838  7417.27    476.512 7551.43    583.591 7148.92    825.382 919.423 36.352  881.302 53.896  38.12146       65.01006 
1 1 1 -6  2  31 f 460.469  14.902  1858.08    119.817 1878.61    169.446 1837.56    169.447 462.152 20.998  457.036 21.233  5.115540       29.86282 
1 1 1 -6  2  32 o 374.195  15.037  1226.97    98.244  1221.90    120.376 1237.10    170.017 373.069 18.479  373.440 26.241  -0.3715210     32.09464 
1 1 1 -6  2  33 o 620.837  21.071  3389.07    228.414 3508.42    279.785 3150.57    395.521 630.658 25.408  592.566 38.434  38.09290       46.07347 
1 1 1 -6  2  34 o 644.329  19.120  3645.55    215.113 3762.13    304.248 3529.02    304.182 652.765 26.694  631.983 27.565  20.78131       38.37197 
1 1 1 -6  2  35 o 540.809  19.325  2568.47    182.480 2674.61    316.030 2515.38    223.504 547.796 33.197  534.351 23.955  13.44537       40.93767 
1 1 1 -6  2  36 o 464.554  21.458  1897.86    174.058 2041.89    246.114 1753.72    246.197 479.438 29.544  443.509 32.007  35.92889       43.55767 
1 1 1 -6  2  37 o 116.336  10.666  119.364    21.425  121.370    36.548  118.314    26.445  116.150 18.653  115.483 13.361  0.6671677      22.94435 
1 1 1 -6  2  38 o 242.974  12.478  518.064    52.758  560.933    91.195  496.499    64.681  251.730 20.938  237.488 15.686  14.24248       26.16207 
1 1 1 -6  2  39 o 382.267  15.396  1280.78    102.766 1319.63    125.901 1203.20    177.886 387.674 18.599  367.852 27.903  19.82211       33.53386 
1 1 1 -6  2  40 o 461.454  17.291  1868.45    139.319 2036.06    241.194 1784.52    170.671 478.691 28.994  450.319 21.706  28.37189       36.21837 
1 1 1 -6  2  41 o 292.524  23.756  759.179    120.290 0.0000     0.0000  759.179    120.290 ?       ?       292.524 23.756  0.000000       23.75602 
1 1 1 -6  2  42 o 483.045  21.462  2053.80    181.016 2235.31    256.194 1872.84    255.797 501.336 29.395  457.887 32.199  43.44971       43.59920 
1 1 1 -6  2  43 o 366.455  14.867  1177.16    95.126  1242.70    165.052 1144.56    116.403 374.236 25.409  360.470 18.557  13.76566       31.46424 
1 1 1 -6  2  44 o 575.284  17.257  2905.71    173.349 3157.87    245.213 2653.80    245.092 598.296 23.473  547.927 25.618  50.36890       34.74552 
1 1 1 -6  2  45 o 660.605  19.473  3838.51    224.620 4015.41    317.690 3661.69    317.631 673.338 27.021  642.550 28.311  30.78790       39.13644 
1 1 1 -6  2  46 o 511.670  16.041  2297.84    143.309 2425.42    202.717 2170.38    202.623 524.427 22.138  495.796 23.406  28.63098       32.21693 
1 1 1 -6  2  47 o 665.845  19.489  3902.59    226.587 3813.84    320.441 3991.34    320.443 655.378 28.002  670.710 27.362  -15.33209      39.15132 
1 1 1 -6  2  48 o 446.018  14.515  1745.17    113.038 1682.21    159.924 1808.03    159.795 436.756 20.971  452.957 20.204  -16.20157      29.12010 
1 1 1 -6  2  49 o 90.067   14.389  72.930     21.866  48.260     27.934  111.971    35.140  73.079  20.861  111.288 18.750  -38.20924      28.04895 
1 1 1 -6  2  50 o 690.727  22.784  4221.72    274.786 4253.14    336.499 4158.83    476.069 690.995 27.890  674.768 40.596  16.22687       49.25288 
1 1 1 -6  2  51 o 276.254  13.455  669.665    64.900  636.418    79.369  736.752    112.744 268.375 17.026  287.581 22.636  -19.20575      28.32400 
1 1 1 -6  2  52 o 78.217   18.044  56.076     24.141  56.076     24.141  0.0000     0.0000  78.217  18.044  ?       ?       0.000000       18.04399 
1 1 1 -6  2  53 o 173.062  12.465  264.176    37.416  257.202    45.280  279.188    66.434  170.289 15.395  176.087 22.094  -5.797852      26.92851 
1 1 1 -6  2  54 o 424.083  16.429  1585.79    121.652 1544.03    148.788 1670.00    211.293 417.342 20.418  430.202 28.286  -12.86038      34.88571 
1 1 1 -6  2  55 o 86.939   15.252  68.524     22.308  66.936     26.059  72.881     43.161  85.423  18.037  89.218  26.069  -3.795006      31.70078 
1 1 1 -6  2  56 o 117.376  11.274  122.082    22.822  88.916     31.366  159.390    33.267  98.520  18.921  133.712 14.480  -35.19118      23.82627 
1 1 1 -6  2  57 o 399.922  13.527  1409.53    94.459  1427.24    133.480 1391.76    133.691 400.572 19.084  395.455 19.362  5.116425       27.18604 
1 1 1 -6  2  58 o 102.373  11.651  93.377     20.456  98.301     28.362  88.039     29.531  104.167 16.114  98.061  17.907  6.106133       24.08980 
1 1 1 -6  2  59 o 95.753   12.262  82.102     20.031  78.644     28.084  85.682     28.578  92.433  18.049  96.688  17.575  -4.255020      25.19177 
1 1 1 -6  2  60 o 109.831  13.266  108.129    24.926  81.127     40.342  124.802    31.701  92.749  24.533  117.504 15.856  -24.75504      29.21079 
1 1 1 -6  2  61 o 345.729  14.583  1061.29    88.031  1041.91    151.612 1071.15    108.125 335.599 26.078  345.396 17.991  -9.796448      31.68167 
1 1 1 -6  2  62 o 80.606   16.293  60.033     22.143  54.275     38.915  62.789     26.926  77.420  25.149  81.908  19.167  -4.488686      31.62080 
1 1 1 -6  2  63 o 48.301   16.772  19.008     17.294  61.361     30.626  -0.8198    20.955  80.595  21.403  39.318  16.911  41.27751       27.27740 
1 1 1 -6  2  64 o 102.158  17.272  96.403     29.710  0.0000     0.0000  96.403     29.710  ?       ?       102.158 17.272  0.000000       17.27170 
1 1 1 -6  2  65 o 180.891  15.362  295.721    48.061  305.260    68.118  286.265    67.819  180.668 22.051  174.495 22.804  6.172577       31.72187 
1 1 1 -6  2  66 o 43.193   16.722  11.412     17.968  3.5829     25.472  19.166     25.350  44.902  18.952  52.599  19.988  -7.696842      27.54452 
1 1 1 -6  2  67 o 137.759  12.675  170.876    30.146  168.531    36.832  175.633    52.470  135.665 15.847  135.237 23.047  0.4278870      27.96951 
1 1 1 -6  2  68 o 168.440  15.777  259.441    45.862  313.801    65.640  207.598    64.103  182.368 20.997  144.855 26.314  37.51273       33.66434 
1 1 1 -6  2  69 f 212.111  13.292  406.164    48.978  421.211    84.033  398.422    60.275  209.069 23.422  208.097 16.730  0.9723206      28.78330 
1 1 1 -6  2  70 o 135.444  11.749  165.394    27.511  173.482    37.772  156.256    40.149  136.902 16.110  128.762 18.379  8.140854       24.44021 
1 1 1 -6  2  71 o 94.242   13.657  81.889     21.819  73.461     30.226  91.059     31.527  86.661  20.327  97.174  19.262  -10.51367      28.00348 
1 1 1 -6  2  72 o 184.214  13.386  309.170    42.763  311.149    72.851  308.130    52.821  176.874 24.226  181.738 16.837  -4.863770      29.50169 
1 1 1 -6  2  73 f 112.403  15.060  117.859    28.814  119.222    34.689  114.824    51.745  111.341 18.492  103.598 27.958  7.742882       33.51986 
1 1 1 -6  2  74 o 84.143   20.584  70.861     29.993  70.861     29.993  0.0000     0.0000  84.143  20.584  ?       ?       0.000000       20.58387 
1 1 1 -6  3  1  o 369.241  14.753  1196.27    95.116  1157.48    164.781 1215.65    116.480 360.319 26.375  371.775 17.944  -11.45575      31.89965 
1 1 1 -6  3  2  o 169.577  11.584  252.991    34.094  226.046    59.095  266.435    41.742  158.587 21.928  173.764 13.873  -15.17732      25.94821 
1 1 1 -6  3  3  o 169.343  11.249  252.186    33.072  309.910    57.375  223.463    40.472  186.903 17.796  158.919 14.754  27.98441       23.11633 
1 1 1 -6  3  4  o 373.067  15.209  1221.55    99.071  1073.57    171.607 1295.52    121.333 346.304 28.637  383.774 18.107  -37.47034      33.88129 
1 1 1 -6  3  5  o 610.698  18.119  3280.67    193.203 3301.55    273.232 3259.79    273.229 610.342 25.639  606.411 25.805  3.931152       36.37605 
1 1 1 -6  3  6  o 653.257  18.948  3756.73    216.129 3826.67    305.654 3686.78    305.650 656.656 26.658  644.340 27.167  12.31543       38.06203 
1 1 1 -6  3  7  o 89.230   9.7196  70.487     14.898  68.544     21.080  72.427     21.059  87.271  14.331  89.843  13.871  -2.571625      19.94478 
1 1 1 -6  3  8  o 234.186  12.045  481.712    49.086  461.604    60.094  522.025    85.089  228.827 15.126  242.519 20.280  -13.69296      25.29955 
1 1 1 -6  3  9  o 507.014  15.888  2257.99    140.652 2149.58    198.909 2366.42    198.916 493.023 23.106  517.599 22.010  -24.57584      31.91099 
1 1 1 -6  3  10 o 253.318  10.811  561.842    47.820  485.565    67.624  638.137    67.632  234.460 16.626  269.288 14.436  -34.82755      22.01903 
1 1 1 -6  3  11 o 559.869  19.750  2763.30    193.067 2634.75    236.489 3020.18    334.313 545.158 24.844  579.359 33.186  -34.20001      41.45533 
1 1 1 -6  3  12 o 565.800  16.862  2815.13    166.587 2804.52    192.382 2846.93    333.054 564.038 19.534  561.821 34.113  2.216492       39.30957 
1 1 1 -6  3  13 o 332.977  14.513  973.282    84.380  937.620    103.390 1044.42    146.022 325.807 18.248  342.349 24.592  -16.54117      30.62236 
1 1 1 -6  3  14 o 478.974  17.042  2018.35    142.530 2119.83    174.622 1815.80    246.702 490.054 20.408  449.084 31.665  40.97049       37.67114 
1 1 1 -6  3  15 o 126.605  8.8803  140.922    19.507  156.387    22.552  94.970     38.874  133.314 9.7560  101.662 22.495  31.65117       24.51936 
1 1 1 -6  3  16 o 109.708  9.2644  106.072    17.581  110.459    20.321  93.015     35.057  111.821 10.532  100.845 20.605  10.97596       23.14085 
1 1 1 -6  3  17 f 226.614  11.467  451.111    45.227  477.904    78.382  437.738    55.375  231.949 19.535  222.837 14.308  9.111572       24.21455 
1 1 1 -6  3  18 o 353.528  13.504  1096.65    83.359  1149.50    144.450 1070.27    102.070 359.490 23.136  348.776 16.761  10.71436       28.56878 
1 1 1 -6  3  19 o 322.573  13.283  912.839    74.817  954.471    129.638 892.048    91.614  327.548 22.809  318.032 16.555  9.516357       28.18403 
1 1 1 -6  3  20 o 156.673  9.2795  215.548    25.272  272.118    50.713  196.859    29.150  175.094 16.794  149.487 11.250  25.60693       20.21380 
1 1 1 -6  3  21 o 210.385  9.8929  387.418    36.341  417.464    72.790  377.442    41.943  216.751 19.439  207.233 11.639  9.518677       22.65721 
1 1 1 -6  3  22 o 314.864  12.205  868.782    67.099  821.050    134.276 884.668    77.465  303.139 25.608  317.545 13.971  -14.40564      29.17146 
1 1 1 -6  3  23 o 325.487  14.126  929.428    80.281  917.056    139.094 935.608    98.308  320.721 25.037  325.714 17.348  -4.992615      30.45970 
1 1 1 -6  3  24 o 904.500  25.012  7246.95    395.022 6827.75    558.634 7666.19    558.656 870.713 36.744  924.216 34.618  -53.50348      50.48347 
1 1 1 -6  3  25 o 102.867  9.6595  93.384     17.146  107.728    24.380  79.346     24.120  110.132 12.924  93.909  15.232  16.22341       19.97557 
1 1 1 -6  3  26 o 149.006  9.5369  194.993    24.682  201.393    35.043  188.693    34.772  151.011 13.430  146.086 13.795  4.924911       19.25292 
1 1 1 -6  3  27 o 808.176  22.312  5756.96    314.846 5804.54    445.265 5709.39    445.254 807.668 31.574  800.894 31.840  6.774658       44.84035 
1 1 1 -6  3  28 o 566.114  19.958  2818.26    197.281 2576.72    341.631 2939.09    241.643 535.553 36.756  577.203 23.976  -41.64948      43.88474 
1 1 1 -6  3  29 o 283.906  13.340  705.892    66.132  738.437    114.454 689.581    81.026  288.622 22.899  279.875 16.656  8.747253       28.31589 
1 1 1 -6  3  30 f 655.791  22.300  3786.39    255.349 3646.52    442.164 3856.38    312.777 636.522 39.987  660.497 27.121  -23.97473      48.31663 
1 1 1 -6  3  31 o 892.014  35.592  7093.15    554.360 6650.95    783.946 7535.44    784.022 851.735 52.976  909.453 49.559  -57.71753      72.54342 
1 1 1 -6  3  32 o 725.326  43.329  4749.47    546.242 4749.47    546.242 0.0000     0.0000  725.326 43.329  ?       ?       0.000000       43.32902 
1 1 1 -6  3  33 o 195.027  14.499  335.018    49.020  335.018    49.020  0.0000     0.0000  195.027 14.499  ?       ?       0.000000       14.49895 
1 1 1 -6  3  34 o 879.817  28.472  6847.18    437.397 7072.69    535.698 6396.15    757.601 891.516 34.413  836.219 52.147  55.29657       62.47854 
1 1 1 -6  3  35 o 680.722  22.953  4080.45    272.822 4091.81    334.127 4057.72    472.568 680.209 28.132  671.663 40.484  8.545227       49.29905 
1 1 1 -6  3  36 o 26.296   9.9341  4.3138     6.2384  6.7716     9.1300  2.1614     8.5440  32.236  12.051  27.397  11.217  4.838793       16.46351 
1 1 1 -6  3  37 o 695.529  20.250  4252.68    245.923 4343.65    347.819 4161.75    347.756 700.590 28.433  685.562 29.051  15.02850       40.65008 
1 1 1 -6  3  38 o 260.172  11.119  592.211    50.510  620.158    71.583  564.499    71.281  265.526 15.507  253.199 16.208  12.32758       22.43165 
1 1 1 -6  3  39 o 309.026  11.733  835.737    63.309  899.301    89.652  772.513    89.413  319.823 16.106  296.182 17.365  23.64032       23.68432 
1 1 1 -6  3  40 o 430.586  14.127  1624.45    106.215 1772.43    150.306 1476.84    150.117 449.097 19.168  409.130 21.086  39.96710       28.49569 
1 1 1 -6  3  41 o 790.883  22.749  5513.03    314.153 5625.48    444.304 5400.60    444.255 795.232 31.998  778.871 32.667  16.36176       45.72728 
1 1 1 -6  3  42 o 299.344  11.410  784.240    59.636  804.309    84.273  764.110    84.403  302.369 16.019  294.629 16.473  7.740143       22.97738 
1 1 1 -6  3  43 o 407.997  13.613  1458.59    96.980  1455.94    137.111 1461.24    137.191 406.878 19.299  407.622 19.275  -0.7435303     27.27656 
1 1 1 -6  3  44 o 96.632   16.134  84.136     26.263  43.950     38.824  118.039    35.660  73.535  25.148  114.458 18.472  -40.92332      31.20317 
1 1 1 -6  3  45 o 250.037  15.709  550.830    68.234  581.309    96.990  520.962    96.013  255.814 21.926  241.852 23.014  13.96101       31.78632 
1 1 1 -6  3  46 o 791.125  32.498  5594.25    448.915 5627.73    635.054 5560.81    634.668 782.692 46.681  777.787 46.953  4.904724       66.20935 
1 1 1 -6  3  47 o 540.550  34.490  2632.86    323.835 2632.86    323.835 0.0000     0.0000  540.550 34.490  ?       ?       0.000000       34.49014 
1 1 1 -6  3  48 o 248.842  16.445  546.626    71.050  546.626    71.050  0.0000     0.0000  248.842 16.445  ?       ?       0.000000       16.44506 
1 1 1 -6  3  49 o 330.764  12.785  959.355    73.840  945.408    104.528 973.247    104.323 327.084 18.377  331.946 18.067  -4.861603      25.77082 
1 1 1 -6  3  50 o 456.663  16.827  1835.62    134.170 1854.36    232.829 1826.31    164.169 454.273 29.513  454.556 20.684  -0.2831726     36.03989 
1 1 1 -6  3  51 o 520.493  15.877  2383.98    144.294 2413.43    204.065 2354.53    204.058 521.662 22.404  515.156 22.686  6.506226       31.88358 
1 1 1 -6  3  52 o 29.766   12.427  1.4152     10.768  8.4902     16.626  -3.6980    14.134  40.751  15.998  30.949  13.590  9.802113       20.99129 
1 1 1 -6  3  53 o 277.871  11.676  677.580    56.648  682.840    79.990  672.288    80.235  277.744 16.569  275.541 16.756  2.203430       23.56532 
1 1 1 -6  3  54 o 242.188  11.217  514.810    47.435  504.696    66.752  525.127    67.420  238.600 16.117  243.440 15.949  -4.840683      22.67466 
1 1 1 -6  3  55 o 301.474  13.885  800.716    73.092  758.184    89.366  886.666    127.037 292.050 17.607  313.861 23.348  -21.81113      29.24269 
1 1 1 -6  3  56 o 65.045   16.093  38.907     18.178  41.409     21.669  32.965     33.393  67.155  18.079  65.077  23.244  2.078270       29.44737 
1 1 1 -6  3  57 o 156.926  14.882  219.669    40.290  204.672    55.489  236.391    58.596  149.575 21.895  161.112 21.356  -11.53677      30.58488 
1 1 1 -6  3  58 o 232.451  15.865  481.651    64.008  476.867    88.874  486.807    92.263  228.932 22.525  231.054 23.182  -2.122437      32.32302 
1 1 1 -6  3  59 o 114.826  13.283  118.082    26.140  123.669    41.157  114.304    33.843  115.485 21.192  111.817 17.940  3.668060       27.76597 
1 1 1 -6  3  60 o 417.353  15.067  1548.69    109.799 1169.01    188.341 1744.17    135.139 351.424 31.012  441.500 17.530  -90.07617      35.62374 
1 1 1 -6  3  61 o 301.983  11.730  806.020    61.851  701.623    86.817  913.619    88.138  278.958 17.919  319.927 15.778  -40.96933      23.87530 
1 1 1 -6  3  62 o 35.091   14.148  5.0863     13.349  17.105     15.804  -24.8464   24.941  46.009  16.029  34.621  16.253  11.38803       22.82727 
1 1 1 -6  3  63 o 103.609  12.016  96.420     21.334  98.080     28.312  94.239     32.451  103.369 16.220  100.366 19.217  3.002640       25.14709 
1 1 1 -6  3  64 o 147.016  10.895  192.423    27.767  176.258    36.994  213.283    42.023  139.292 15.472  153.198 15.943  -13.90593      22.21653 
1 1 1 -6  3  65 o 98.162   12.464  87.152     20.881  66.371     27.463  115.629    32.149  83.601  19.216  111.822 17.001  -28.22108      25.65730 
1 1 1 -6  3  66 o 87.003   16.660  70.814     24.388  58.654     37.819  79.470     31.908  78.315  24.727  91.000  20.565  -12.68498      32.16163 
1 1 1 -6  3  67 o 99.816   14.725  91.701     24.892  66.713     39.482  108.186    32.069  82.525  25.137  107.453 17.710  -24.92793      30.74874 
1 1 1 -6  3  68 o 53.257   17.721  25.180     19.278  29.887     28.266  21.088     26.359  59.550  21.373  53.773  20.395  5.777710       29.54243 
1 1 1 -6  3  69 o 94.335   18.557  85.073     29.477  84.952     41.032  85.202     42.374  91.785  24.949  91.738  25.522  0.4699707E-01  35.69098 
1 1 1 -6  3  70 o 116.190  12.833  123.085    25.601  144.705    32.047  84.949     42.563  125.188 14.957  91.174  25.655  34.01343       29.69656 
1 1 1 -6  3  71 f 131.536  15.973  161.324    35.933  147.423    51.101  174.920    50.537  120.323 25.134  133.118 22.548  -12.79504      33.76537 
1 1 1 -6  3  72 o 64.090   16.679  39.584     18.845  39.299     23.770  40.066     30.919  63.768  19.520  65.236  22.438  -1.468079      29.74033 
1 1 1 -6  3  73 o 21.374   10.257  -15.3480   11.063  -3.7299    16.749  -24.3418   14.736  33.146  14.664  23.445  11.392  9.700981       18.56928 
1 1 1 -6  4  1  o 165.052  11.015  239.734    31.563  263.104    54.798  228.130    38.612  171.760 18.567  160.602 13.906  11.15784       23.19740 
1 1 1 -6  4  2  o 569.648  20.234  2866.88    201.260 2945.91    348.668 2827.38    246.465 569.684 35.225  563.946 25.030  5.737915       43.21214 
1 1 1 -6  4  3  o 134.460  11.499  159.594    26.737  133.529    46.453  172.505    32.695  120.846 22.852  139.542 13.591  -18.69582      26.58851 
1 1 1 -6  4  4  o 376.591  18.084  1249.91    118.910 0.0000     0.0000  1249.91    118.910 ?       ?       376.591 18.084  0.000000       18.08357 
1 1 1 -6  4  5  o 270.468  11.410  641.069    53.884  733.013    76.219  549.200    76.187  288.404 15.189  249.083 17.632  39.32037       23.27193 
1 1 1 -6  4  6  o 357.368  12.829  1120.31    80.051  1173.22    113.213 1067.41    113.204 364.913 17.768  347.403 18.732  17.50925       25.81827 
1 1 1 -6  4  7  o 283.118  10.794  702.167    53.357  769.040    75.469  635.329    75.449  295.877 14.608  268.263 16.183  27.61343       21.80122 
1 1 1 -6  4  8  o 392.365  13.609  1351.33    93.237  1429.21    131.865 1273.47    131.850 402.537 18.761  379.207 19.984  23.33023       27.41045 
1 1 1 -6  4  9  o 866.957  24.957  6681.95    377.795 6893.41    534.295 6470.50    534.269 872.972 35.052  844.773 36.221  28.19849       50.40450 
1 1 1 -6  4  10 o 533.420  16.623  2504.35    154.827 2452.06    178.803 2661.08    309.529 527.041 19.430  542.641 32.823  -15.59979      38.14238 
1 1 1 -6  4  11 o 195.962  9.7950  336.205    33.515  351.259    38.753  291.536    66.756  199.910 11.147  180.258 21.642  19.65207       24.34400 
1 1 1 -6  4  12 o 640.972  18.756  3624.10    209.915 3427.34    242.414 4213.88    419.695 622.000 22.321  681.434 35.395  -59.43335      41.84538 
1 1 1 -6  4  13 o 429.552  15.180  1621.83    113.854 1621.83    113.854 0.0000     0.0000  429.552 15.180  ?       ?       0.000000       15.18000 
1 1 1 -6  4  14 o 186.676  11.540  306.577    37.429  306.577    37.429  0.0000     0.0000  186.676 11.540  ?       ?       0.000000       11.53953 
1 1 1 -6  4  15 o 162.146  8.4940  230.638    23.964  230.638    23.964  0.0000     0.0000  162.146 8.4940  ?       ?       0.000000       8.493987 
1 1 1 -6  4  16 o 246.960  22.360  544.244    95.374  544.244    95.374  0.0000     0.0000  246.960 22.360  ?       ?       0.000000       22.36028 
1 1 1 -6  4  17 o 112.945  13.378  113.463    25.869  142.207    36.727  85.157     36.445  125.989 17.140  96.232  22.149  29.75697       28.00628 
1 1 1 -6  4  18 f 616.889  26.408  3384.22    284.445 3415.55    402.274 3352.89    402.259 612.884 37.775  606.977 38.149  5.906311       53.68705 
1 1 1 -6  4  19 o 98.107   19.665  87.832     32.514  0.0000     0.0000  87.832     32.514  ?       ?       98.107  19.665  0.000000       19.66547 
1 1 1 -6  4  20 o 183.223  20.598  299.793    64.754  0.0000     0.0000  299.793    64.754  ?       ?       183.223 20.598  0.000000       20.59756 
1 1 1 -6  4  21 o 299.969  24.030  801.315    124.804 0.0000     0.0000  801.315    124.804 ?       ?       299.969 24.030  0.000000       24.02984 
1 1 1 -6  4  22 o 537.212  34.170  2595.99    318.854 0.0000     0.0000  2595.99    318.854 ?       ?       537.212 34.170  0.000000       34.17015 
1 1 1 -6  4  23 o 402.599  28.022  1445.39    195.761 0.0000     0.0000  1445.39    195.761 ?       ?       402.599 28.022  0.000000       28.02244 
1 1 1 -6  4  24 o 587.193  24.931  3047.78    255.611 0.0000     0.0000  3047.78    255.611 ?       ?       587.193 24.931  0.000000       24.93083 
1 1 1 -6  4  25 o 772.813  46.091  5442.63    619.111 0.0000     0.0000  5442.63    619.111 ?       ?       772.813 46.091  0.000000       46.09057 
1 1 1 -6  4  26 o 444.418  20.331  1737.48    157.765 1790.13    223.338 1685.04    222.890 448.557 28.665  434.885 29.528  13.67157       41.15347 
1 1 1 -6  4  27 o 713.238  23.942  4486.93    298.170 4757.48    516.591 4351.77    365.131 726.319 40.900  700.437 29.855  25.88202       50.63765 
1 1 1 -6  4  28 o 290.235  11.040  736.979    55.950  785.662    79.226  688.544    79.024  298.999 15.226  279.724 16.250  19.27472       22.26811 
1 1 1 -6  4  29 o 766.211  21.703  5167.07    290.362 5309.67    410.645 5024.49    410.622 773.718 30.396  752.315 31.259  21.40393       43.60138 
1 1 1 -6  4  30 o 268.388  11.000  630.163    51.547  708.147    72.966  552.468    72.831  283.896 14.771  250.406 16.754  33.48964       22.33545 
1 1 1 -6  4  31 o 457.476  14.606  1833.74    116.673 1884.07    165.048 1783.48    164.952 462.915 20.420  450.301 20.979  12.61447       29.27618 
1 1 1 -6  4  32 o 609.712  18.298  3263.98    194.805 3379.03    275.527 3148.99    275.465 618.716 25.504  597.044 26.424  21.67175       36.72442 
1 1 1 -6  4  33 o 348.478  14.486  1064.01    88.146  1005.40    152.546 1093.38    108.001 336.403 26.177  352.963 17.524  -16.56055      31.50088 
1 1 1 -6  4  34 o 799.230  26.442  5644.37    369.006 5712.97    639.034 5610.06    451.975 793.078 46.349  794.329 32.588  -1.251587      56.65834 
1 1 1 -6  4  35 o 648.175  22.263  3699.98    251.969 3794.12    436.327 3652.89    308.633 649.671 38.638  642.572 27.508  7.099854       47.42998 
1 1 1 -6  4  36 f 214.060  14.718  403.471    54.677  403.471    54.677  0.0000     0.0000  214.060 14.718  ?       ?       0.000000       14.71809 
1 1 1 -6  4  37 o 307.377  16.936  831.646    90.547  831.646    90.547  0.0000     0.0000  307.377 16.936  ?       ?       0.000000       16.93634 
1 1 1 -6  4  38 o 662.483  40.269  3960.66    463.598 3960.66    463.598 0.0000     0.0000  662.483 40.269  ?       ?       0.000000       40.26883 
1 1 1 -6  4  39 o 717.199  24.231  4541.21    303.436 4616.77    371.686 4390.24    525.413 721.201 29.516  695.427 43.488  25.77460       52.55887 
1 1 1 -6  4  40 o 283.899  13.439  706.165    66.617  700.080    81.716  718.222    115.027 281.918 16.675  284.364 23.374  -2.446075      28.71179 
1 1 1 -6  4  41 o 487.817  18.041  2091.31    153.669 2081.83    188.287 2110.23    265.930 485.889 22.193  485.786 31.522  0.1022339      38.55087 
1 1 1 -6  4  42 o 446.606  20.776  1757.22    162.010 1757.22    162.010 0.0000     0.0000  446.606 20.776  ?       ?       0.000000       20.77571 
1 1 1 -6  4  43 o 934.563  30.500  7781.40    497.703 7553.10    609.489 8238.33    862.246 915.596 38.124  941.889 52.639  -26.29303      64.99492 
1 1 1 -6  4  44 o 244.799  12.921  526.642    55.032  506.227    67.097  568.601    96.192  239.549 16.135  252.871 22.005  -13.32190      27.28712 
1 1 1 -6  4  45 o 146.070  12.673  188.392    32.003  211.343    38.664  138.454    57.032  154.525 14.500  122.488 27.357  32.03764       30.96198 
1 1 1 -6  4  46 o 365.862  13.213  1173.84    84.406  1085.44    119.195 1262.75    119.541 350.358 19.562  378.730 18.077  -28.37198      26.63573 
1 1 1 -6  4  47 o 447.306  16.888  1760.37    131.901 1634.50    228.478 1823.29    161.538 426.144 30.917  454.437 20.358  -28.29276      37.01743 
1 1 1 -6  4  48 o 413.378  16.206  1503.29    116.975 1364.85    203.046 1572.05    143.110 389.205 30.112  422.028 19.421  -32.82312      35.83191 
1 1 1 -6  4  49 o 319.466  13.618  896.203    75.964  924.281    131.465 882.129    93.075  321.764 23.564  316.009 16.930  5.754639       29.01475 
1 1 1 -6  4  50 o 209.508  10.327  384.603    37.776  344.904    53.157  425.110    53.695  197.351 15.552  219.480 14.086  -22.12949      20.98270 
1 1 1 -6  4  51 o 74.437   12.628  49.991     15.827  33.753     21.965  67.525     22.824  61.624  18.744  86.237  15.738  -24.61238      24.47474 
1 1 1 -6  4  52 o 411.812  13.541  1491.79    97.370  1340.83    137.522 1643.53    137.881 388.080 20.366  430.906 18.326  -42.82678      27.39730 
1 1 1 -6  4  53 o 316.684  13.617  883.009    75.295  782.825    129.473 934.206    92.556  294.097 25.464  324.727 16.377  -30.63052      30.27597 
1 1 1 -6  4  54 o 182.992  11.845  295.647    37.644  294.642    63.535  296.190    46.730  180.693 20.500  182.594 14.784  -1.900696      25.27503 
1 1 1 -6  4  55 o 380.813  18.736  1291.35    124.581 0.0000     0.0000  1291.35    124.581 ?       ?       380.813 18.736  0.000000       18.73600 
1 1 1 -6  4  56 f 167.511  11.528  248.177    33.513  219.482    56.396  263.841    41.667  154.988 21.411  172.232 13.976  -17.24431      25.56905 
1 1 1 -6  4  57 o 160.505  10.343  227.525    28.832  229.705    40.972  225.387    40.581  160.323 14.803  158.795 14.807  1.527237       20.93765 
1 1 1 -6  4  58 o 185.008  12.505  303.789    40.157  306.219    48.960  298.793    70.196  185.008 15.293  180.124 22.832  4.884140       27.48032 
1 1 1 -6  4  59 o 109.015  12.904  106.649    24.086  96.827     28.737  129.841    44.158  102.898 16.556  117.717 22.300  -14.81921      27.77407 
1 1 1 -6  4  60 o 98.679   13.340  87.939     22.396  86.184     27.013  91.799     40.055  96.837  16.572  98.098  23.659  -1.261032      28.88563 
1 1 1 -6  4  61 o 70.444   12.955  45.415     15.348  33.633     21.327  58.072     22.104  60.709  18.470  79.033  16.548  -18.32385      24.79919 
1 1 1 -6  4  62 o 64.333   13.498  38.220     14.679  30.678     20.563  46.057     20.961  58.228  18.211  70.080  17.247  -11.85117      25.08157 
1 1 1 -6  4  63 o 146.143  10.305  189.901    26.128  181.345    36.848  198.552    37.054  141.313 15.171  148.167 14.509  -6.853989      20.99200 
1 1 1 -6  4  64 o 131.849  12.622  156.488    28.703  163.481    35.263  142.758    49.410  133.846 15.367  121.240 24.188  12.60590       28.65689 
1 1 1 -6  4  65 o 36.058   14.203  7.0127     13.145  13.807     15.754  -8.5587    23.850  43.149  15.887  38.489  17.233  4.659679       23.43903 
1 1 1 -6  4  66 o 45.970   15.575  18.092     14.890  19.720     17.644  14.062     27.755  48.561  16.936  51.007  20.459  -2.445839      26.55887 
1 1 1 -6  4  67 o 190.932  12.952  329.289    42.925  339.160    52.962  310.393    73.279  192.166 15.928  178.271 24.164  13.89565       28.94158 
1 1 1 -6  4  68 o 152.588  12.925  211.225    34.111  213.627    41.842  206.466    58.904  151.964 16.010  144.432 24.214  7.531876       29.02811 
1 1 1 -6  4  69 o 141.554  12.913  182.376    31.564  171.517    53.111  188.306    39.248  130.992 24.109  142.303 16.077  -11.31151      28.97818 
1 1 1 -6  4  70 o 92.148   18.555  82.190     28.821  0.0000     0.0000  82.190     28.821  ?       ?       92.148  18.555  0.000000       18.55456 
1 1 1 -6  4  71 o 146.901  12.627  196.997    32.075  139.754    53.180  229.726    40.212  114.914 26.968  157.471 14.798  -42.55706      30.76097 
1 1 1 -6  4  72 o 116.035  13.629  124.733    27.087  107.415    31.948  169.002    51.079  105.371 18.012  128.708 23.599  -23.33685      29.68695 
1 1 1 -6  5  1  o 426.593  16.247  1602.62    121.017 1711.29    148.250 1385.59    209.509 440.039 19.295  391.147 30.928  48.89288       36.45346 
1 1 1 -6  5  2  o 708.188  24.029  4461.42    297.128 4446.87    363.932 4490.51    514.566 703.643 29.621  695.749 42.562  7.894836       51.85484 
1 1 1 -6  5  3  o 735.436  30.460  4864.40    391.142 4990.32    553.299 4738.61    553.017 732.850 43.433  712.854 44.655  19.99573       62.29397 
1 1 1 -6  5  4  o 201.448  14.963  358.767    52.255  329.960    74.091  387.278    73.710  191.583 22.582  208.239 20.540  -16.65552      30.52624 
1 1 1 -6  5  5  o 231.592  15.317  473.776    61.590  464.866    87.260  482.620    86.943  227.936 22.207  232.418 21.674  -4.481476      31.03085 
1 1 1 -6  5  6  o 528.338  19.124  2465.20    176.423 2528.67    216.114 2338.40    305.461 533.661 23.193  506.910 34.721  26.75134       41.75430 
1 1 1 -6  5  7  o 554.982  19.111  2719.67    185.195 2857.82    226.867 2443.74    320.627 567.512 22.895  517.790 35.681  49.72186       42.39493 
1 1 1 -6  5  8  o 419.436  15.947  1547.90    116.793 1580.81    143.090 1482.23    202.156 423.093 19.369  406.000 28.702  17.09238       34.62572 
1 1 1 -6  5  9  o 340.454  14.043  1017.92    83.480  1042.06    102.296 969.800    144.441 343.991 17.031  329.219 25.321  14.77109       30.51611 
1 1 1 -6  5  10 o 540.348  19.333  2577.18    182.405 2487.00    223.445 2757.31    315.810 529.183 24.182  552.349 32.894  -23.16626      40.82679 
1 1 1 -6  5  11 f 505.153  18.530  2249.89    163.439 2162.46    200.210 2424.53    282.976 493.863 23.218  518.793 31.386  -24.92987      39.04053 
1 1 1 -6  5  12 o 438.277  16.205  1689.45    124.011 1693.58    151.933 1681.22    214.652 438.000 19.866  432.986 28.552  5.014221       34.78374 
1 1 1 -6  5  13 o 144.021  11.275  182.824    28.126  177.018    34.530  194.270    48.484  141.304 14.187  147.191 19.333  -5.887177      23.97946 
1 1 1 -6  5  14 o 338.300  16.881  1006.83    99.714  1006.83    99.714  0.0000     0.0000  338.300 16.881  ?       ?       0.000000       16.88072 
1 1 1 -6  5  15 o 181.862  10.640  290.580    33.639  290.580    33.639  0.0000     0.0000  181.862 10.640  ?       ?       0.000000       10.63970 
1 1 1 -6  5  16 o 249.529  15.590  549.018    67.586  576.638    95.633  521.458    95.531  254.598 21.720  241.763 22.904  12.83539       31.56479 
1 1 1 -6  5  17 o 228.434  14.947  459.944    59.289  509.773    83.975  410.416    83.721  239.631 20.260  214.335 22.717  25.29561       30.43852 
1 1 1 -6  5  18 o 84.976   13.640  64.883     19.553  80.831     27.942  49.579     27.372  94.394  17.600  73.910  20.495  20.48447       27.01534 
1 1 1 -6  5  19 o 12.625   6.0324  -5.1532    3.7386  12.928     7.8788  -10.4075   4.2472  38.103  11.139  11.297  5.6089  26.80589       12.47187 
1 1 1 -6  5  20 o 386.993  19.050  1317.34    128.726 1304.94    182.086 1329.72    182.005 382.702 27.431  386.418 27.147  -3.715088      38.59336 
1 1 1 -6  5  21 o 496.734  22.344  2175.74    193.793 2207.55    274.086 2143.95    274.044 496.899 31.756  489.480 32.245  7.418732       45.25713 
1 1 1 -6  5  22 o 601.190  25.692  3196.11    269.699 3346.42    381.443 3045.86    381.382 610.480 35.943  581.489 37.767  28.99133       52.13706 
1 1 1 -6  5  23 o 481.768  21.774  2044.65    183.163 2126.78    259.102 1962.61    258.961 488.336 30.540  468.605 31.838  19.73166       44.11790 
1 1 1 -6  5  24 o 428.191  20.216  1612.86    151.148 1633.36    213.803 1592.37    213.708 428.338 28.753  422.799 29.126  5.539154       40.92783 
1 1 1 -6  5  25 o 316.835  17.019  883.553    93.807  961.322    132.775 806.045    132.552 329.408 23.233  301.030 25.457  28.37811       34.46502 
1 1 1 -6  5  26 o 445.389  20.752  1745.37    161.387 1746.10    228.282 1744.64    228.188 442.744 29.702  442.558 29.702  0.1865540      42.00465 
1 1 1 -6  5  27 o 357.020  18.178  1122.25    112.943 1165.49    159.874 1079.17    159.579 362.418 25.425  348.442 26.426  13.97684       36.67094 
1 1 1 -6  5  28 o 344.667  17.571  1045.54    105.394 1186.25    149.189 905.355    148.912 366.079 23.463  318.852 27.001  47.22778       35.77106 
1 1 1 -6  5  29 o 711.057  23.787  4459.03    295.334 4331.26    511.615 4522.89    361.679 691.993 42.549  714.383 28.995  -22.39044      51.48932 
1 1 1 -6  5  30 o 784.363  26.688  5440.53    365.505 5186.30    633.166 5567.60    447.618 753.564 48.377  791.080 32.406  -37.51617      58.22750 
1 1 1 -6  5  31 o 363.301  12.516  1155.61    79.393  1018.40    112.189 1293.27    112.369 339.900 18.979  383.894 16.764  -43.99469      25.32256 
1 1 1 -6  5  32 o 852.024  27.861  6429.31    414.492 6268.44    507.695 6750.86    717.786 838.018 34.697  859.948 47.995  -21.92975      59.22306 
1 1 1 -6  5  33 o 820.007  27.075  5951.60    387.662 5675.16    474.834 6504.16    671.317 797.555 34.097  845.592 45.637  -48.03693      56.96787 
1 1 1 -6  5  34 o 210.384  12.480  388.924    45.641  346.740    56.006  472.328    78.750  198.121 16.336  230.915 19.721  -32.79486      25.60771 
1 1 1 -6  5  35 o 118.759  11.574  124.618    23.695  114.826    29.173  143.604    40.621  113.446 15.103  126.436 18.987  -12.99023      24.26056 
1 1 1 -6  5  36 o 386.279  15.528  1308.95    104.730 1226.38    128.304 1473.81    181.296 372.829 19.780  407.434 25.614  -34.60428      32.36271 
1 1 1 -6  5  37 o 461.823  17.631  1873.89    142.170 1815.11    174.169 1991.25    246.114 453.726 21.984  472.342 29.997  -18.61682      37.19036 
1 1 1 -6  5  38 o 346.431  18.116  1057.84    109.204 1065.48    153.906 1050.10    154.975 346.042 25.655  343.425 26.038  2.616455       36.55341 
1 1 1 -6  5  39 o 298.895  16.202  786.674    84.240  720.646    118.424 854.306    119.854 284.541 24.061  310.374 22.264  -25.83359      32.78163 
1 1 1 -6  5  40 o 196.264  14.171  339.547    48.236  301.414    67.029  380.506    69.468  183.679 21.295  206.997 19.448  -23.31877      28.83920 
1 1 1 -6  5  41 o 123.941  14.321  136.526    30.422  136.526    30.422  0.0000     0.0000  123.941 14.321  ?       ?       0.000000       14.32111 
1 1 1 -6  5  42 o 367.820  15.596  1188.20    100.166 1138.78    122.625 1287.29    173.643 358.946 19.640  379.905 26.340  -20.95871      32.85560 
1 1 1 -6  5  43 o 202.066  12.147  359.102    42.658  368.583    51.905  339.371    74.877  204.391 14.641  194.664 22.440  9.727814       26.79416 
1 1 1 -6  5  44 o 225.902  13.193  449.138    51.812  445.270    63.058  457.178    90.900  224.467 16.198  226.013 23.371  -1.546356      28.43567 
1 1 1 -6  5  45 o 771.662  21.889  5270.41    294.930 4989.89    416.878 5551.50    417.311 745.067 32.044  787.032 30.367  -41.96478      44.14753 
1 1 1 -6  5  46 o 196.413  11.344  339.250    38.738  378.938    53.440  295.303    56.234  207.109 14.877  182.166 17.911  24.94350       23.28337 
1 1 1 -6  5  47 o 298.321  11.808  780.550    61.508  728.734    86.409  833.773    87.575  286.983 17.325  307.247 16.383  -20.26401      23.84482 
1 1 1 -6  5  48 o 213.040  12.502  399.803    46.301  383.863    77.990  408.479    57.538  206.815 21.932  214.850 15.441  -8.035873      26.82203 
1 1 1 -6  5  49 o 485.340  17.492  2080.99    148.236 1844.90    256.042 2200.03    181.803 449.289 32.866  497.769 20.918  -48.47974      38.95788 
1 1 1 -6  5  50 o 176.098  15.418  275.519    46.931  0.0000     0.0000  275.519    46.931  ?       ?       176.098 15.418  0.000000       15.41839 
1 1 1 -6  5  51 o 309.947  17.373  853.272    93.642  0.0000     0.0000  853.272    93.642  ?       ?       309.947 17.373  0.000000       17.37300 
1 1 1 -6  5  52 o 242.724  12.980  520.360    54.812  459.033    94.329  551.623    67.349  224.588 24.449  249.314 15.549  -24.72552      28.97468 
1 1 1 -6  5  53 o 88.569   11.518  70.147     17.391  57.534     22.916  87.279     26.707  79.034  17.102  98.007  16.170  -18.97365      23.53638 
1 1 1 -6  5  54 o 97.193   11.383  84.269     18.951  77.837     25.515  92.185     28.303  92.303  16.434  100.584 16.701  -8.281380      23.43056 
1 1 1 -6  5  55 o 13.274   6.6306  -17.1257   6.3219  -16.6372   6.8005  -20.2342   17.156  14.280  7.0910  27.901  13.214  -13.62080      14.99646 
1 1 1 -6  5  56 o 430.291  14.122  1641.98    106.099 1479.14    149.608 1806.75    150.489 403.918 21.288  448.399 19.221  -44.48035      28.68145 
1 1 1 -6  5  57 o 357.491  15.139  1138.14    94.496  1123.02    115.529 1168.73    164.257 352.764 18.824  354.117 26.763  -1.353363      32.72009 
1 1 1 -6  5  58 f 137.602  10.540  168.024    25.131  145.158    34.804  192.938    36.328  126.419 16.135  146.539 14.383  -20.11958      21.61516 
1 1 1 -6  5  59 o 91.653   11.638  75.531     18.204  90.526     24.810  58.042     26.794  99.695  14.693  78.449  19.613  21.24619       24.50612 
1 1 1 -6  5  60 o 107.940  12.576  104.920    23.259  86.792     27.439  151.189    43.838  96.845  16.838  127.157 20.437  -30.31220      26.47981 
1 1 1 -6  5  61 o 129.458  15.389  152.683    34.104  152.683    34.104  0.0000     0.0000  129.458 15.389  ?       ?       0.000000       15.38894 
1 1 1 -6  5  62 o 131.510  15.929  158.407    35.832  158.407    35.832  0.0000     0.0000  131.510 15.929  ?       ?       0.000000       15.92949 
1 1 1 -6  5  63 o 209.336  15.565  398.794    56.485  398.794    56.485  0.0000     0.0000  209.336 15.565  ?       ?       0.000000       15.56466 
1 1 1 -6  5  64 o 83.379   14.446  64.423     20.270  59.030     24.315  76.710     36.702  78.655  18.083  88.159  23.439  -9.503815      29.60320 
1 1 1 -6  5  65 o 144.603  10.916  187.487    27.359  181.945    37.966  193.475    39.461  140.475 15.750  144.850 15.862  -4.374451      22.35290 
1 1 1 -6  5  66 o 106.128  11.463  101.929    20.903  104.058    28.864  99.582     30.314  105.476 16.190  102.561 17.559  2.914986       23.88353 
1 1 1 -6  5  67 o 39.137   14.482  11.327     13.120  23.784     17.148  -6.2651    20.377  51.232  16.697  35.852  15.999  15.37967       23.12504 
1 1 1 -6  5  68 o 131.829  12.901  158.737    29.316  143.228    35.330  193.020    52.528  123.278 16.855  139.923 22.244  -16.64469      27.90876 
1 1 1 -6  5  69 o 41.459   15.646  12.394     15.465  13.633     17.894  8.7358     30.743  43.926  16.769  49.653  20.882  -5.727406      26.78159 
1 1 1 -6  5  70 o 138.875  11.574  175.370    27.809  177.732    40.078  173.177    38.619  136.666 17.174  135.169 16.719  1.496811       23.96863 
1 1 1 -6  5  71 o 24.389   11.727  -20.3682   14.631  -35.1553   27.705  -14.6500   17.229  33.661  16.173  29.218  13.649  4.442684       21.16331 
1 1 1 -6  6  1  o 293.399  11.253  754.265    57.648  694.359    81.347  814.701    81.706  280.413 16.690  304.058 15.441  -23.64441      22.73674 
1 1 1 -6  6  2  o 135.338  9.5832  161.124    22.500  155.802    31.543  166.638    32.103  132.520 13.836  137.135 13.586  -4.615097      19.39103 
1 1 1 -6  6  3  o 359.165  12.210  1130.94    76.570  1080.09    108.227 1181.89    108.345 349.741 17.781  366.461 16.932  -16.72055      24.55354 
1 1 1 -6  6  4  o 374.524  13.191  1230.51    86.261  1158.91    121.931 1302.26    122.053 361.961 19.363  384.458 18.182  -22.49655      26.56113 
1 1 1 -6  6  5  o 115.245  9.4724  117.015    18.892  142.138    32.747  104.482    23.130  126.313 15.150  108.467 12.437  17.84648       19.60129 
1 1 1 -6  6  6  o 429.701  17.253  1624.88    129.444 1271.49    224.189 1801.60    158.542 374.182 34.709  451.827 20.096  -77.64529      40.10678 
1 1 1 -6  6  7  o 246.840  12.331  534.067    53.149  557.635    65.183  487.314    91.806  251.564 14.906  233.603 22.798  17.96011       27.23869 
1 1 1 -6  6  8  o 499.580  17.581  2196.20    153.361 2087.76    187.841 2412.99    265.590 485.972 22.137  519.219 29.416  -33.24701      36.81514 
1 1 1 -6  6  9  o 1067.90  35.291  10265.23   658.053 10190.34   805.972 10414.97   1139.71 1055.52 43.731  1040.57 63.025  14.94727       76.71068 
1 1 1 -6  6  10 o 223.198  11.757  437.584    45.659  474.735    56.021  364.074    78.802  232.237 13.879  201.711 22.773  30.52629       26.66868 
1 1 1 -6  6  11 o 616.706  21.103  3355.28    227.239 3535.45    278.360 2995.31    393.448 631.636 25.239  574.064 39.492  57.57251       46.86872 
1 1 1 -6  6  12 o 190.556  11.385  319.081    37.707  337.097    46.319  283.682    64.925  195.613 13.647  178.110 21.299  17.50298       25.29614 
1 1 1 -6  6  13 o 245.746  12.056  528.953    51.731  576.510    63.448  434.643    89.348  255.999 14.251  220.552 23.566  35.44711       27.53980 
1 1 1 -6  6  14 o 251.600  10.636  554.020    46.725  589.426    54.023  448.883    93.094  259.433 11.926  224.075 24.177  35.35751       26.95818 
1 1 1 -6  6  15 o 204.002  9.7351  364.067    34.677  390.858    40.115  284.868    68.972  211.039 10.924  178.274 22.671  32.76503       25.16509 
1 1 1 -6  6  16 o 214.864  12.069  405.549    45.096  424.850    55.221  366.905    78.137  219.644 14.480  202.733 22.450  16.91066       26.71482 
1 1 1 -6  6  17 o 149.893  11.125  197.730    28.909  198.338    35.368  196.505    50.179  149.822 13.671  148.130 19.904  1.691406       24.14662 
1 1 1 -6  6  18 o 194.573  9.4320  331.114    32.044  300.485    39.219  392.627    55.580  184.842 12.220  211.037 15.185  -26.19518      19.49140 
1 1 1 -6  6  19 o 403.846  19.451  1434.61    137.156 1488.84    194.036 1380.45    193.901 409.049 27.324  393.510 28.411  15.53854       39.41861 
1 1 1 -6  6  20 o 540.452  23.512  2577.84    221.873 2446.59    313.633 2709.32    313.918 522.186 34.594  550.344 32.817  -28.15863      47.68333 
1 1 1 -6  6  21 o 345.745  17.825  1052.84    107.242 998.255    151.406 1107.79    151.922 334.952 26.094  353.265 24.786  -18.31262      35.98967 
1 1 1 -6  6  22 o 195.502  14.375  336.806    48.728  286.080    68.560  388.585    69.268  178.789 22.457  209.374 19.160  -30.58479      29.51992 
1 1 1 -6  6  23 o 146.573  14.346  190.087    36.246  203.124    50.805  176.575    51.725  150.703 19.786  139.943 21.885  10.75995       29.50321 
1 1 1 -6  6  24 o 624.566  38.356  3514.30    416.262 3514.30    416.262 0.0000     0.0000  624.566 38.356  ?       ?       0.000000       38.35590 
1 1 1 -6  6  25 o 334.635  25.326  995.215    146.885 995.215    146.885 0.0000     0.0000  334.635 25.326  ?       ?       0.000000       25.32623 
1 1 1 -6  6  26 o 617.275  38.001  3432.00    407.592 3432.00    407.592 0.0000     0.0000  617.275 38.001  ?       ?       0.000000       38.00140 
1 1 1 -6  6  27 o 42.314   16.025  11.143     16.260  11.143     16.260  0.0000     0.0000  42.314  16.025  ?       ?       0.000000       16.02547 
1 1 1 -6  6  28 o 190.090  20.995  322.002    68.521  322.002    68.521  0.0000     0.0000  190.090 20.995  ?       ?       0.000000       20.99492 
1 1 1 -6  6  29 o 246.368  22.384  539.526    95.241  539.526    95.241  0.0000     0.0000  246.368 22.384  ?       ?       0.000000       22.38425 
1 1 1 -6  6  30 o 250.708  22.546  558.764    97.639  558.764    97.639  0.0000     0.0000  250.708 22.546  ?       ?       0.000000       22.54555 
1 1 1 -6  6  31 o 686.275  28.498  4181.08    341.491 3938.39    482.833 4423.99    483.049 658.376 42.224  699.479 39.714  -41.10345      57.96615 
1 1 1 -6  6  32 o 352.065  13.915  1086.56    85.542  1018.23    148.268 1120.64    104.730 338.331 25.281  357.214 16.791  -18.88245      30.34900 
1 1 1 -6  6  33 o 495.956  15.184  2158.12    131.489 2203.14    185.921 2113.06    185.987 499.906 21.300  489.476 21.761  10.42978       30.45069 
1 1 1 -6  6  34 o 467.749  14.138  1918.55    115.467 1962.31    163.255 1874.74    163.336 472.056 19.807  461.306 20.278  10.74969       28.34617 
1 1 1 -6  6  35 o 338.665  12.391  1004.81    73.270  1052.83    103.605 956.762    103.633 346.115 17.144  329.338 18.091  16.77686       24.92358 
1 1 1 -6  6  36 o 335.096  11.889  983.561    69.561  1020.87    98.322  946.174    98.427  340.871 16.519  327.622 17.267  13.24823       23.89637 
1 1 1 -6  6  37 o 214.605  9.7851  403.007    36.666  420.492    51.693  385.303    52.016  218.558 13.613  209.078 14.335  9.480225       19.76900 
1 1 1 -6  6  38 o 495.705  15.581  2158.30    134.861 2085.07    190.677 2231.60    190.767 485.637 22.487  502.617 21.737  -16.98047      31.27539 
1 1 1 -6  6  39 o 652.764  19.051  3755.22    217.135 3579.82    307.017 3930.75    307.134 634.019 27.733  664.959 26.453  -30.93994      38.32582 
1 1 1 -6  6  40 o 188.110  12.120  311.437    39.596  280.282    47.901  378.651    70.358  177.921 15.576  206.244 19.780  -28.32297      25.17653 
1 1 1 -6  6  41 o 70.090   17.166  44.963     20.841  56.554     24.309  12.812     40.486  78.572  18.093  60.168  24.501  18.40419       30.45753 
1 1 1 -6  6  42 o 618.811  24.985  3406.11    269.965 3042.87    380.981 3772.45    382.600 576.812 38.041  645.326 34.076  -68.51337      51.07122 
1 1 1 -6  6  43 o 27.910   12.221  -2.7220    11.356  10.189     12.136  -93.6471   32.206  38.094  13.956  29.115  14.605  8.978590       20.20104 
1 1 1 -6  6  44 o 112.630  13.132  112.886    25.341  144.405    40.331  92.326     32.574  126.516 18.831  100.574 19.250  25.94199       26.92945 
1 1 1 -6  6  45 o 386.730  15.071  1316.62    101.767 1180.26    175.395 1385.82    124.951 361.515 28.005  396.047 18.069  -34.53152      33.32778 
1 1 1 -6  6  46 o 24.400   10.688  -2.1241    8.6958  7.2861     9.9894  -31.5641   17.669  33.542  12.592  25.470  12.398  8.072031       17.67148 
1 1 1 -6  6  47 o 129.949  14.697  150.648    32.762  150.648    32.762  0.0000     0.0000  129.949 14.697  ?       ?       0.000000       14.69745 
1 1 1 -6  6  48 o 291.785  13.519  749.765    68.876  729.933    84.323  789.516    119.386 286.724 16.918  296.079 23.281  -9.355682      28.77890 
1 1 1 -6  6  49 o 252.229  12.836  561.627    56.344  533.557    97.520  575.693    69.032  242.769 23.292  254.712 15.597  -11.94312      28.03138 
1 1 1 -6  6  50 o 68.912   13.072  43.223     15.154  55.082     20.635  29.338     22.327  77.514  15.782  58.352  19.054  19.16151       24.74150 
1 1 1 -6  6  51 o 302.574  13.578  808.683    71.732  723.069    124.105 851.635    87.903  280.967 25.577  309.294 16.335  -28.32697      30.34825 
1 1 1 -6  6  52 o 101.470  12.920  92.357     22.372  94.131     38.844  91.477     27.367  100.152 22.733  100.241 16.187  -0.8821869E-01 27.90704 
1 1 1 -6  6  53 o 315.357  13.795  881.074    75.959  795.263    131.259 924.281    93.140  293.305 25.896  321.529 16.647  -28.22369      30.78509 
1 1 1 -6  6  54 o 188.479  12.138  315.283    39.734  310.714    68.241  317.626    48.874  183.897 21.668  188.385 14.982  -4.488358      26.34337 
1 1 1 -6  6  55 o 160.812  10.400  228.986    29.046  213.129    40.588  245.632    41.586  153.850 15.312  165.503 14.538  -11.65279      21.11460 
1 1 1 -6  6  56 o 107.465  12.386  103.705    22.816  112.147    27.681  85.821     40.291  111.233 14.606  94.552  24.279  16.68085       28.33375 
1 1 1 -6  6  57 o 264.283  12.973  621.419    59.865  597.759    73.189  669.244    104.058 257.307 16.376  268.561 22.395  -11.25430      27.74335 
1 1 1 -6  6  58 o 25.063   11.178  -3.8591    9.9304  -9.0947    11.298  13.925     20.823  24.380  11.273  46.844  18.039  -22.46348      21.27217 
1 1 1 -6  6  59 o 37.713   14.002  10.033     12.285  10.224     14.142  9.4431     24.806  39.374  14.937  47.105  19.180  -7.731552      24.31031 
1 1 1 -6  6  60 o 89.091   13.397  72.582     20.195  73.291     23.830  70.774     38.043  88.746  15.965  85.073  24.365  3.672905       29.12979 
1 1 1 -6  6  61 o 181.193  10.506  292.666    33.095  256.862    45.638  332.376    48.063  167.531 15.788  191.404 14.489  -23.87248      21.42819 
1 1 1 -6  6  62 o 154.494  11.644  214.452    31.179  176.798    37.424  299.888    56.374  138.549 15.750  179.405 18.250  -40.85591      24.10658 
1 1 1 -6  6  63 o 36.352   14.122  7.9491     12.848  18.708     14.141  -42.9477   30.756  46.056  15.170  35.038  16.887  11.01860       22.70003 
1 1 1 -6  6  64 o 183.102  12.087  302.599    38.426  265.489    46.436  383.212    68.440  169.454 15.879  200.923 19.764  -31.46938      25.35300 
1 1 1 -6  6  65 o 51.470   18.301  22.429     20.678  35.524     27.825  6.2742     30.904  62.140  21.290  49.036  20.796  13.10321       29.76093 
1 1 1 -6  6  66 o 95.960   15.109  86.376     24.479  70.773     42.563  94.087     29.923  82.757  26.243  98.907  17.989  -16.15034      31.81676 
1 1 1 -6  6  67 o 109.817  17.536  115.535    32.493  0.0000     0.0000  115.535    32.493  ?       ?       109.817 17.536  0.000000       17.53568 
1 1 1 -6  6  68 o 155.555  13.106  222.416    35.266  220.804    61.695  223.198    42.981  145.937 25.117  153.810 16.250  -7.873032      29.91568 
1 1 1 -6  6  69 o 64.110   15.452  39.781     17.094  6.8841     24.685  70.091     23.695  44.515  18.716  85.082  16.545  -40.56778      24.98042 
1 1 1 -6  7  1  o 193.411  10.165  328.291    34.209  295.476    48.126  361.804    48.635  182.840 15.213  202.643 13.828  -19.80324      20.55813 
1 1 1 -6  7  2  o 284.802  11.556  710.391    57.466  698.266    81.138  722.594    81.400  281.409 16.586  286.325 16.350  -4.916656      23.28979 
1 1 1 -6  7  3  o 226.388  11.500  449.990    45.311  340.635    77.909  505.885    55.700  194.938 23.354  239.846 13.353  -44.90804      26.90186 
1 1 1 -6  7  4  o 364.759  14.765  1167.49    94.039  1146.26    162.678 1178.15    115.246 358.579 26.163  365.963 18.035  -7.383789      31.77708 
1 1 1 -6  7  5  o 321.174  17.240  909.305    96.325  952.245    136.277 866.431    136.172 327.241 24.018  311.767 25.231  15.47397       34.83490 
1 1 1 -6  7  6  o 411.181  13.188  1481.93    94.684  1578.84    109.400 1192.64    189.019 424.198 14.770  364.719 29.946  59.47827       33.39017 
1 1 1 -6  7  7  o 639.187  21.261  3603.62    237.287 3814.01    290.711 3183.66    410.723 656.164 25.374  591.995 39.969  64.16925       47.34261 
1 1 1 -6  7  8  o 155.910  13.643  214.720    36.767  237.063    53.006  194.001    51.043  163.048 18.973  147.008 20.438  16.04005       27.88752 
1 1 1 -6  7  9  o 302.193  16.018  804.058    84.219  893.336    119.650 716.394    118.564 317.491 21.714  283.616 24.173  33.87460       32.49312 
1 1 1 -6  7  10 o 364.125  15.251  1163.50    96.967  1144.77    118.950 1200.62    167.417 360.186 18.981  367.139 26.290  -6.953308      32.42570 
1 1 1 -6  7  11 o 342.860  14.307  1030.90    85.652  1044.57    105.083 1003.81    147.848 344.303 17.537  335.797 25.404  8.506073       30.86942 
1 1 1 -6  7  12 o 221.280  11.988  430.067    46.146  447.873    56.842  395.648    79.030  225.518 14.512  210.702 21.796  14.81580       26.18577 
1 1 1 -6  7  13 o 235.993  13.599  489.763    55.801  608.230    79.542  374.963    78.301  262.517 17.452  204.986 22.233  57.53090       28.26472 
1 1 1 -6  7  14 o 780.231  25.535  5389.11    347.879 5635.26    426.111 4897.15    602.409 795.419 30.681  730.147 47.510  65.27173       56.55567 
1 1 1 -6  7  15 o 405.011  15.742  1439.68    111.322 1495.80    136.407 1327.76    192.628 412.342 18.946  385.547 28.823  26.79523       34.49191 
1 1 1 -6  7  16 o 315.280  13.729  871.304    75.579  886.787    92.646  840.499    130.680 317.320 16.781  307.364 24.555  9.955688       29.74106 
1 1 1 -6  7  17 o 214.315  11.826  403.403    44.081  442.284    54.079  326.417    76.096  224.194 13.883  190.891 23.315  33.30229       27.13522 
1 1 1 -6  7  18 o 522.404  18.623  2400.17    169.870 2400.17    169.870 0.0000     0.0000  522.404 18.623  ?       ?       0.000000       18.62287 
1 1 1 -6  7  19 o 239.554  12.547  504.051    52.298  504.051    52.298  0.0000     0.0000  239.554 12.547  ?       ?       0.000000       12.54685 
1 1 1 -6  7  20 o 558.604  20.312  2748.32    198.116 2748.32    198.116 0.0000     0.0000  558.604 20.312  ?       ?       0.000000       20.31198 
1 1 1 -6  7  21 o 374.825  19.463  1239.83    126.945 1239.83    126.945 0.0000     0.0000  374.825 19.463  ?       ?       0.000000       19.46350 
1 1 1 -6  7  22 o 265.092  15.920  619.080    73.349  580.578    103.442 658.015    104.024 255.316 23.466  272.233 22.074  -16.91722      32.21706 
1 1 1 -6  7  23 o 92.283   14.718  76.536     22.918  68.541     31.608  85.399     33.279  86.480  21.116  96.681  20.357  -10.20062      29.33060 
1 1 1 -6  7  24 o 326.669  17.553  940.625    99.751  938.836    140.861 942.426    141.278 324.765 25.033  325.383 25.060  -0.6175232     35.42108 
1 1 1 -6  7  25 o 306.697  16.980  828.959    90.575  803.410    127.819 854.728    128.368 300.376 24.586  310.042 23.897  -9.665680      34.28591 
1 1 1 -6  7  26 o 471.165  21.233  1957.82    174.682 1771.71    246.845 2144.52    247.231 444.298 32.034  490.176 29.015  -45.87775      43.22104 
1 1 1 -6  7  27 o 277.957  16.069  680.719    77.654  601.258    109.463 761.227    110.180 259.562 24.440  292.934 21.696  -33.37228      32.68068 
1 1 1 -6  7  28 o 311.476  17.003  855.183    92.126  794.255    129.997 916.655    130.576 298.413 25.184  321.160 23.447  -22.74655      34.40951 
1 1 1 -6  7  29 o 147.202  14.106  191.786    35.812  159.143    49.975  226.242    51.345  132.467 22.406  159.230 18.832  -26.76335      29.26894 
1 1 1 -6  7  30 o 32.588   13.285  3.3914     11.919  8.5344     15.134  -5.0105    19.343  39.501  15.332  36.233  15.905  3.267540       22.09122 
1 1 1 -6  7  31 o 319.128  11.764  892.168    65.552  870.090    113.649 903.175    80.246  313.332 20.893  320.826 14.325  -7.494568      25.33199 
1 1 1 -6  7  32 o 440.969  13.797  1705.86    106.230 1762.76    150.146 1648.83    150.319 447.251 19.226  432.412 19.909  14.83981       27.67726 
1 1 1 -6  7  33 o 268.014  10.618  628.961    49.691  688.511    70.147  568.978    70.401  279.703 14.412  253.954 15.958  25.74979       21.50262 
1 1 1 -6  7  34 o 610.932  20.813  3296.58    222.020 3511.22    272.018 2868.26    384.265 628.997 24.768  560.274 39.533  68.72302       46.65113 
1 1 1 -6  7  35 o 265.426  10.164  616.839    47.107  621.437    66.432  612.190    66.809  265.650 14.376  263.629 14.570  2.020966       20.46833 
1 1 1 -6  7  36 o 275.282  13.015  664.846    62.559  667.564    107.359 663.450    76.979  273.588 22.678  274.165 16.152  -0.5775757     27.84225 
1 1 1 -6  7  37 o 409.916  16.261  1478.74    116.387 1619.36    200.789 1407.58    142.830 425.131 27.192  398.465 20.599  26.66663       34.11335 
1 1 1 -6  7  38 f ?        ?       -375.6131  10.624  0.0000     0.0000  -375.6131  10.624  ?       ?       ?       ?       0.000000       ?        
1 1 1 -6  7  39 o 437.601  16.699  1687.39    127.595 1490.90    220.346 1786.52    156.504 405.545 31.361  449.388 19.945  -43.84305      37.16641 
1 1 1 -6  7  40 o ?        ?       -54.2481   4.0494  0.0000     0.0000  -54.2481   4.0494  ?       ?       ?       ?       0.000000       ?        
1 1 1 -6  7  41 f 106.398  12.976  100.905    23.608  87.905     27.988  132.966    43.952  98.474  16.885  120.605 21.668  -22.13180      27.47011 
1 1 1 -6  7  42 o 241.432  12.990  513.792    54.557  491.624    66.399  559.857    95.715  235.512 16.246  249.852 22.170  -14.34026      27.48561 
1 1 1 -6  7  43 o 361.367  15.310  1151.61    96.602  1123.41    118.058 1208.77    168.047 355.438 19.093  365.718 26.496  -10.27957      32.65811 
1 1 1 -6  7  44 o 242.994  12.840  520.895    54.283  479.365    66.166  606.396    94.937  232.301 16.418  260.049 21.090  -27.74741      26.72718 
1 1 1 -6  7  45 o 87.319   11.038  68.027     16.453  63.540     23.315  72.477     23.221  83.301  16.612  89.338  15.445  -6.037148      22.68273 
1 1 1 -6  7  46 o 172.501  11.421  262.808    34.205  258.262    58.141  265.215    42.299  168.983 20.099  172.769 14.146  -3.785934      24.57817 
1 1 1 -6  7  47 o 262.922  12.849  609.645    58.986  575.675    101.244 627.101    72.576  251.648 23.306  265.553 15.722  -13.90569      28.11353 
1 1 1 -6  7  48 o 68.808   13.446  43.240     15.576  44.495     24.369  42.373     20.252  69.485  19.363  67.707  17.120  1.777756       25.84629 
1 1 1 -6  7  49 o 251.382  12.131  557.709    53.247  515.572    91.003  579.644    65.659  237.804 22.172  255.201 14.799  -17.39679      26.65734 
1 1 1 -6  7  50 o 50.839   14.277  23.576     13.195  18.545     19.004  28.259     18.335  49.026  17.533  56.086  17.139  -7.060692      24.51844 
1 1 1 -6  7  51 o 240.449  12.819  513.495    53.626  506.989    65.609  526.588    93.080  237.837 15.890  239.347 22.538  -1.510605      27.57621 
1 1 1 -6  7  52 o 221.990  12.746  438.378    49.196  431.343    60.133  452.618    85.552  219.102 15.825  221.380 22.443  -2.278244      27.46090 
1 1 1 -6  7  53 o 260.251  16.382  610.342    74.062  633.435    104.961 587.442    104.520 261.103 23.266  250.792 24.167  10.31073       33.54673 
1 1 1 -6  7  54 o 66.154   17.887  40.961     21.158  63.352     30.080  19.035     29.765  81.604  20.991  55.206  21.481  26.39754       30.03434 
1 1 1 -6  7  55 f 145.668  15.120  192.473    37.897  218.959    54.374  167.454    52.848  153.012 20.898  132.215 23.766  20.79765       31.64720 
1 1 1 -6  7  56 o 87.320   11.133  68.740     16.588  60.549     22.245  79.001     24.897  80.458  16.391  92.305  16.029  -11.84647      22.92606 
1 1 1 -6  7  57 o 75.123   12.103  51.538     15.336  38.094     20.356  69.187     23.323  63.581  17.689  86.102  16.106  -22.52105      23.92295 
1 1 1 -6  7  58 o 104.536  12.324  99.014     22.062  94.957     25.943  109.614    41.931  101.431 15.110  105.682 23.346  -4.251625      27.80879 
1 1 1 -6  7  59 o 72.453   15.150  49.307     18.549  53.205     21.173  36.439     38.471  74.906  16.623  66.428  24.756  8.477577       29.81877 
1 1 1 -6  7  60 f 164.943  12.470  245.856    35.650  242.333    42.929  253.685    63.992  162.368 15.323  161.048 23.444  1.320068       28.00795 
1 1 1 -6  7  61 o 198.933  12.605  358.089    43.556  279.437    74.782  398.470    53.583  165.910 26.722  208.520 14.813  -42.60936      30.55313 
1 1 1 -6  7  62 o 233.448  13.170  495.382    53.464  436.038    92.295  525.352    65.588  207.597 26.035  238.344 15.851  -30.74722      30.48021 
1 1 1 -6  7  63 o 56.498   17.177  30.243     18.448  53.105     31.292  18.063     22.840  73.024  22.404  49.619  18.945  23.40547       29.33992 
1 1 1 -6  7  64 o 134.125  14.774  167.332    34.027  134.929    45.555  208.222    51.175  115.115 23.460  145.798 20.682  -30.68330      31.27513 
1 1 1 -6  7  65 o 72.882   18.254  52.362     23.179  57.977     28.851  42.140     38.926  75.740  21.055  67.350  24.941  8.390541       32.63996 
1 1 1 -6  7  66 o 24.291   11.258  -8.8869    11.364  -19.9502   12.685  36.072     25.573  22.056  10.682  61.125  20.412  -39.06957      23.03869 
1 1 1 -6  7  67 o 73.046   15.784  51.820     19.544  70.148     29.498  37.480     26.093  82.870  20.499  61.822  20.618  21.04797       29.07452 
1 1 1 -6  8  1  o 524.511  21.583  2430.54    197.665 2013.02    279.093 2850.75    279.990 472.079 34.088  564.909 28.477  -92.82974      44.41796 
1 1 1 -6  8  2  o 524.264  22.701  2431.07    207.802 2257.61    293.571 2605.25    294.182 500.245 33.808  538.693 31.412  -38.44760      46.14910 
1 1 1 -6  8  3  o 373.703  18.801  1233.16    122.286 1213.65    172.981 1252.64    172.895 368.506 27.073  374.554 26.610  -6.047974      37.96115 
1 1 1 -6  8  4  o 247.473  12.497  538.127    53.825  572.077    66.014  470.789    92.971  254.843 14.900  229.473 23.537  25.37016       27.85665 
1 1 1 -6  8  5  o 529.186  18.887  2466.67    174.518 2486.65    213.776 2426.74    302.171 530.165 23.093  518.983 33.525  11.18182       40.70875 
1 1 1 -6  8  6  o 24.531   9.7148  2.7823     6.1805  3.8063     8.1105  1.3641     9.5448  28.234  11.145  28.133  11.719  0.1005287      16.17261 
1 1 1 -6  8  7  o 82.540   11.578  60.833     16.228  61.594     20.092  59.407     27.522  82.592  14.459  80.518  19.730  2.074013       24.46121 
1 1 1 -6  8  8  o 307.185  13.606  827.598    72.980  831.908    89.477  819.033    126.136 307.177 16.746  303.223 24.021  3.953430       29.28150 
1 1 1 -6  8  9  o 199.933  10.480  350.879    36.457  354.116    42.210  341.373    72.334  200.674 12.103  195.480 21.550  5.194504       24.71654 
1 1 1 -6  8  10 o 207.536  10.604  378.046    38.297  366.754    44.353  411.134    75.924  204.189 12.501  214.956 20.476  -10.76648      23.99039 
1 1 1 -6  8  11 o 395.205  12.554  1368.87    86.627  1490.96    100.135 1005.67    172.706 412.272 13.910  334.497 29.885  77.77496       32.96358 
1 1 1 -6  8  12 o 909.952  29.986  7389.19    476.428 7415.55    583.616 7336.52    824.878 906.553 36.870  884.539 53.662  22.01392       65.10767 
1 1 1 -6  8  13 o 488.761  18.006  2102.26    153.662 2123.06    188.340 2060.85    265.746 490.214 22.004  478.866 31.966  11.34741       38.80734 
1 1 1 -6  8  14 o 206.800  11.682  375.808    42.009  390.681    51.774  347.145    71.872  210.550 14.165  197.214 21.205  13.33604       25.50109 
1 1 1 -6  8  15 o 281.368  15.519  697.364    75.948  778.747    107.826 617.233    106.992 296.336 20.974  263.089 23.540  33.24744       31.52838 
1 1 1 -6  8  16 o 355.747  12.593  1109.23    78.220  1092.61    110.463 1125.94    110.776 351.897 18.039  357.727 17.735  -5.830414      25.29670 
1 1 1 -6  8  17 o 373.654  12.268  1223.48    80.042  1267.74    113.091 1179.06    113.301 379.691 17.058  366.065 17.726  13.62665       24.60086 
1 1 1 -6  8  18 o 658.122  19.183  3816.23    220.434 3675.36    254.453 4239.94    441.293 644.717 22.604  684.296 37.072  -39.57892      43.41929 
1 1 1 -6  8  19 f 565.994  19.886  2824.68    196.523 2727.19    240.523 3020.48    340.861 554.608 24.837  578.969 33.865  -24.36108      41.99713 
1 1 1 -6  8  20 o 291.244  13.337  743.889    67.824  699.842    82.729  834.180    118.446 281.610 16.903  306.397 22.293  -24.78690      27.97628 
1 1 1 -6  8  21 o 494.546  16.914  2150.96    146.056 1921.45    178.723 2612.44    253.427 466.253 21.953  542.045 26.777  -75.79297      34.62548 
1 1 1 -6  8  22 o 118.579  11.360  124.288    23.232  116.229    27.908  142.476    41.926  114.200 14.310  125.637 19.765  -11.43675      24.40137 
1 1 1 -6  8  23 o 547.634  19.619  2644.85    187.597 2644.85    187.597 0.0000     0.0000  547.634 19.619  ?       ?       0.000000       19.61881 
1 1 1 -6  8  24 o 371.513  15.111  1212.35    98.025  1212.35    98.025  0.0000     0.0000  371.513 15.111  ?       ?       0.000000       15.11125 
1 1 1 -6  8  25 o 278.587  11.539  680.030    56.131  654.801    64.628  757.493    113.245 273.184 13.549  291.749 22.401  -18.56525      26.18004 
1 1 1 -6  8  26 o 333.564  12.077  975.315    70.342  951.104    81.051  1049.20    141.588 329.157 14.102  343.204 23.774  -14.04706      27.64178 
1 1 1 -6  8  27 o 386.638  13.140  1311.48    88.705  1277.68    102.262 1414.21    178.280 381.283 15.360  397.954 25.796  -16.67065      30.02297 
1 1 1 -6  8  28 o 246.298  12.747  533.513    54.632  533.513    54.632  0.0000     0.0000  246.298 12.747  ?       ?       0.000000       12.74709 
1 1 1 -6  8  29 o 228.405  12.522  458.939    49.750  458.939    49.750  0.0000     0.0000  228.405 12.522  ?       ?       0.000000       12.52230 
1 1 1 -6  8  30 o 627.590  26.571  3513.17    291.166 3513.17    291.166 0.0000     0.0000  627.590 26.571  ?       ?       0.000000       26.57066 
1 1 1 -6  8  31 o 324.381  15.499  925.637    87.786  925.637    87.786  0.0000     0.0000  324.381 15.499  ?       ?       0.000000       15.49907 
1 1 1 -6  8  32 o 476.952  16.732  2004.28    139.346 1908.17    170.207 2199.63    242.661 464.160 21.001  494.780 28.205  -30.61978      35.16510 
1 1 1 -6  8  33 o 366.705  14.257  1182.14    91.290  1185.98    157.208 1180.19    112.133 363.948 24.888  365.751 17.558  -1.802979      30.45809 
1 1 1 -6  8  34 o 379.688  11.949  1265.00    79.220  1525.41    111.914 1003.47    112.154 416.247 15.398  336.307 19.179  79.94012       24.59522 
1 1 1 -6  8  35 o 291.124  11.479  743.562    58.351  614.293    82.273  874.406    82.772  263.077 18.019  315.149 15.042  -52.07190      23.47239 
1 1 1 -6  8  36 o 153.045  10.398  206.293    27.622  199.636    38.711  213.200    39.427  149.829 14.998  154.926 14.753  -5.097168      21.03804 
1 1 1 -6  8  37 o 392.140  13.104  1352.08    89.724  1333.33    126.825 1370.88    126.952 387.982 18.721  393.480 18.478  -5.498749      26.30421 
1 1 1 -6  8  38 o 104.912  11.295  97.731     20.364  92.926     34.164  100.380    25.362  100.558 20.159  105.863 14.069  -5.304749      24.58352 
1 1 1 -6  8  39 o 209.433  10.297  384.842    37.654  381.975    53.110  387.740    53.394  207.604 14.747  209.180 14.712  -1.575882      20.83108 
1 1 1 -6  8  40 o 115.574  11.925  118.674    23.718  131.152    42.333  112.966    28.635  119.585 21.043  112.155 14.998  7.429604       25.84028 
1 1 1 -6  8  41 o 355.513  14.836  1116.75    92.096  1044.88    112.490 1262.86    160.387 342.124 18.904  373.376 24.742  -31.25174      31.13701 
1 1 1 -6  8  42 o 198.555  12.458  348.690    42.972  328.542    52.110  391.511    75.967  191.979 15.682  208.010 21.213  -16.03032      26.38052 
1 1 1 -6  8  43 o 116.215  12.671  120.501    25.294  125.072    30.196  109.749    46.314  117.930 15.004  107.912 25.060  10.01778       29.20837 
1 1 1 -6  8  44 o 269.840  13.175  643.456    62.076  554.252    75.597  828.108    108.766 248.714 17.520  302.810 20.695  -54.09572      27.11511 
1 1 1 -6  8  45 o 273.270  11.296  658.322    53.897  638.197    76.065  678.615    76.380  267.168 16.385  275.701 15.934  -8.532867      22.85521 
1 1 1 -6  8  46 o 113.299  11.675  114.502    22.766  134.045    28.318  78.791     38.279  122.277 13.488  91.195  23.790  31.08258       27.34768 
1 1 1 -6  8  47 o 155.952  11.737  216.153    31.727  250.247    39.206  151.464    54.004  167.401 13.529  126.120 25.402  41.28120       28.77965 
1 1 1 -6  8  48 o 112.511  11.932  113.263    23.084  121.843    28.713  97.585     38.815  116.104 14.478  101.409 22.508  14.69577       26.76268 
1 1 1 -6  8  49 o 353.774  15.211  1119.76    93.961  1225.56    115.196 909.456    162.410 368.392 17.909  306.516 30.761  61.87616       35.59410 
1 1 1 -6  8  50 o 114.651  10.671  117.245    21.117  123.937    29.428  110.140    30.321  116.821 14.756  109.539 16.354  7.282295       22.02723 
1 1 1 -6  8  51 o 42.010   13.458  15.452     11.172  26.294     15.281  3.0034     16.375  53.465  15.480  36.736  15.330  16.72938       21.78647 
1 1 1 -6  8  52 o 242.197  10.413  519.761    44.036  538.988    62.092  500.305    62.461  244.505 14.611  235.182 15.294  9.322845       21.15126 
1 1 1 -6  8  53 o 106.150  15.506  103.783    27.892  68.607     37.225  148.811    42.116  83.843  24.128  125.650 19.856  -41.80753      31.24761 
1 1 1 -6  8  54 o 132.408  23.894  170.914    53.210  0.0000     0.0000  170.914    53.210  ?       ?       132.408 23.894  0.000000       23.89441 
1 1 1 -6  8  55 o 92.332   24.843  85.342     40.931  0.0000     0.0000  85.342     40.931  ?       ?       92.332  24.843  0.000000       24.84322 
1 1 1 -6  8  56 o 29.627   12.363  1.9368     10.649  9.5912     21.845  -0.4493    12.197  44.631  18.062  29.964  12.894  14.66705       22.19254 
1 1 1 -6  8  57 o 202.051  15.451  375.546    54.099  388.548    77.239  363.024    75.797  200.049 22.503  192.931 22.950  7.117294       32.14203 
1 1 1 -6  8  58 o 89.879   16.709  76.792     25.258  79.979     36.760  73.941     34.764  88.926  23.369  85.721  22.821  3.205536       32.66378 
1 1 1 -6  8  59 o 195.720  10.652  344.195    36.267  336.804    51.098  351.696    51.482  190.639 15.485  195.005 15.241  -4.365875      21.72697 
1 1 1 -6  8  60 o 62.548   15.697  37.578     17.116  55.603     27.515  26.201     21.859  74.694  20.483  54.202  18.853  20.49270       27.83917 
1 1 1 -6  8  61 o 30.660   12.963  1.4545     11.951  21.277     18.102  -13.8582   15.910  49.257  17.156  28.074  13.115  21.18284       21.59464 
1 1 1 -6  8  62 o 161.855  11.819  238.829    33.172  188.652    55.329  266.986    41.446  134.943 24.379  169.679 14.117  -34.73590      28.17190 
1 1 1 -6  8  63 o 79.841   14.111  60.423     18.952  70.529     22.434  35.235     35.419  85.734  15.559  62.653  23.670  23.08135       28.32612 
1 1 1 -6  8  64 o 93.536   13.018  81.830     20.685  67.119     24.470  118.655    38.715  82.405  17.545  107.642 21.353  -25.23645      27.63590 
1 1 1 -6  8  65 o 137.802  12.175  175.470    28.993  166.722    34.688  195.744    52.807  132.236 15.306  136.831 22.913  -4.595078      27.55515 
1 1 1 -6  9  1  o 295.010  13.165  763.912    67.813  797.235    83.281  698.343    116.821 300.592 15.924  279.303 24.193  21.28888       28.96361 
1 1 1 -6  9  2  o 331.059  12.442  961.429    71.922  952.037    83.148  989.340    143.334 329.163 14.467  332.596 24.861  -3.433136      28.76409 
1 1 1 -6  9  3  o 213.631  12.617  401.762    46.855  401.762    46.855  0.0000     0.0000  213.631 12.617  ?       ?       0.000000       12.61709 
1 1 1 -6  9  4  o 570.648  20.169  2878.29    200.962 2878.29    200.962 0.0000     0.0000  570.648 20.169  ?       ?       0.000000       20.16895 
1 1 1 -6  9  5  o 479.660  17.354  2027.04    145.340 2027.04    145.340 0.0000     0.0000  479.660 17.354  ?       ?       0.000000       17.35357 
1 1 1 -6  9  6  o 425.511  16.486  1593.76    122.487 1593.76    122.487 0.0000     0.0000  425.511 16.486  ?       ?       0.000000       16.48604 
1 1 1 -6  9  7  o 490.544  15.644  2116.39    133.993 2088.48    154.786 2199.84    267.652 486.662 18.215  493.848 31.200  -7.185455      36.12801 
1 1 1 -6  9  8  o 313.034  11.252  858.768    61.502  917.783    71.157  684.480    122.285 323.455 12.599  276.155 25.654  47.30081       28.58051 
1 1 1 -6  9  9  o 695.063  19.512  4266.30    236.805 4456.10    273.511 3698.11    473.239 709.222 22.087  632.076 43.137  77.14545       48.46257 
1 1 1 -6  9  10 o 520.159  16.351  2381.23    148.508 2411.95    171.559 2289.41    296.616 522.831 18.793  502.344 34.017  20.48660       38.86308 
1 1 1 -6  9  11 o 314.187  12.253  865.725    67.219  851.716    77.710  907.359    133.965 311.380 14.293  318.681 24.257  -7.301239      28.15513 
1 1 1 -6  9  12 o 67.551   10.599  40.932     12.090  42.453     14.273  37.068     22.745  68.534  12.383  64.307  18.963  4.227150       22.64813 
1 1 1 -6  9  13 o 309.217  12.447  838.697    67.202  823.837    77.696  882.834    133.904 306.204 14.532  314.202 24.604  -7.997742      28.57509 
1 1 1 -6  9  14 o 282.967  10.740  701.516    53.066  751.221    61.444  555.624    105.267 292.690 12.023  248.848 24.547  43.84148       27.33288 
1 1 1 -6  9  15 o 951.843  30.942  8143.44    514.251 8540.45    629.879 7349.81    890.557 968.550 37.245  870.697 58.925  97.85272       69.70884 
1 1 1 -6  9  16 o 742.528  20.944  4879.13    271.537 4804.73    383.952 4953.58    384.070 731.648 30.055  743.202 29.597  -11.55377      42.18102 
1 1 1 -6  9  17 o 344.734  14.486  1044.37    87.194  969.278    150.960 1081.96    106.813 328.591 26.538  350.365 17.460  -21.77451      31.76628 
1 1 1 -6  9  18 o 96.973   12.591  83.876     20.816  88.216     24.624  73.007     38.966  99.135  14.668  89.172  24.344  9.962547       28.42131 
1 1 1 -6  9  19 o 450.953  19.587  1797.30    154.227 1461.31    217.564 2136.68    218.661 401.761 31.260  488.914 25.704  -87.15265      40.47083 
1 1 1 -6  9  20 o 331.422  17.304  970.874    99.791  868.438    140.458 1075.28    141.803 310.931 26.113  347.071 23.539  -36.14005      35.15631 
1 1 1 -6  9  21 o 241.096  15.337  513.449    64.231  437.593    89.969  592.300    91.728  220.632 23.727  257.886 20.541  -37.25410      31.38331 
1 1 1 -6  9  22 o 175.261  15.877  272.607    48.059  386.311    67.061  152.550    68.908  208.335 18.632  127.645 31.184  80.68951       36.32619 
1 1 1 -6  9  23 o 161.586  14.820  231.561    41.348  232.081    57.744  231.014    59.235  160.499 21.118  159.970 21.772  0.5284729      30.33133 
1 1 1 -6  9  24 o 383.845  15.482  1297.19    103.762 1276.94    126.714 1338.43    180.773 379.520 19.184  385.736 27.010  -6.216187      33.12977 
1 1 1 -6  9  25 f 422.856  15.941  1575.42    117.696 1513.56    143.754 1701.19    204.980 413.416 19.915  434.893 27.129  -21.47656      33.65390 
1 1 1 -6  9  26 o 336.084  12.797  992.124    75.097  955.945    86.410  1103.79    151.808 329.522 15.018  350.707 24.953  -21.18423      29.12427 
1 1 1 -6  9  27 f 147.954  11.988  193.405    30.704  234.393    34.645  43.364     66.286  162.930 12.268  83.285  32.154  79.64529       34.41475 
1 1 1 -6  9  28 o 471.581  14.327  1957.33    117.974 1909.80    135.992 2101.89    237.169 465.134 16.745  482.329 28.285  -17.19550      32.86971 
1 1 1 -6  9  29 f 346.947  12.957  1058.15    78.493  993.553    90.253  1258.73    159.029 335.716 15.397  374.388 24.462  -38.67218      28.90380 
1 1 1 -6  9  30 o 396.086  13.616  1380.54    94.165  1387.72    108.533 1358.68    189.381 396.608 15.672  387.023 28.219  9.584930       32.27896 
1 1 1 -6  9  31 o 393.197  13.534  1360.82    92.915  1283.84    107.017 1596.52    187.264 381.278 16.075  420.789 25.609  -39.51062      30.23643 
1 1 1 -6  9  32 o 195.255  11.769  336.201    39.936  286.656    48.116  445.910    71.599  179.546 15.500  223.475 18.516  -43.92929      24.14735 
1 1 1 -6  9  33 o 349.265  14.128  1075.52    86.162  916.792    105.105 1400.73    150.449 320.718 18.852  395.330 21.881  -74.61139      28.88163 
1 1 1 -6  9  34 o 124.431  9.6230  136.629    20.745  115.100    23.264  220.212    45.838  113.797 11.883  156.757 17.020  -42.96080      20.75842 
1 1 1 -6  9  35 o 254.812  12.613  571.885    56.117  503.004    68.169  716.698    98.843  237.680 16.529  282.664 20.159  -44.98412      26.06897 
1 1 1 -6  9  36 o 26.301   11.070  0.6840     8.6501  -10.4628   20.381  3.1330     9.5532  34.913  15.756  29.442  11.934  5.470472       19.76528 
1 1 1 -6  9  37 o 200.566  10.492  354.614    36.614  336.100    51.539  373.478    52.024  194.176 15.326  204.930 14.635  -10.75346      21.19138 
1 1 1 -6  9  38 o 174.774  11.822  270.447    35.863  249.680    43.248  316.168    64.171  167.184 14.974  186.767 19.988  -19.58228      24.97484 
1 1 1 -6  9  39 o 30.945   12.891  1.8512     11.551  1.8512     11.551  0.0000     0.0000  30.945  12.891  ?       ?       0.000000       12.89134 
1 1 1 -6  9  40 f 104.803  15.514  99.714     27.532  99.714     27.532  0.0000     0.0000  104.803 15.514  ?       ?       0.000000       15.51386 
1 1 1 -6  9  41 o 219.123  15.576  429.979    59.208  429.979    59.208  0.0000     0.0000  219.123 15.576  ?       ?       0.000000       15.57633 
1 1 1 -6  9  42 o 43.324   15.181  14.932     14.185  14.932     14.185  0.0000     0.0000  43.324  15.181  ?       ?       0.000000       15.18096 
1 1 1 -6  9  43 o 103.019  14.863  96.515     25.962  96.515     25.962  0.0000     0.0000  103.019 14.863  ?       ?       0.000000       14.86332 
1 1 1 -6  9  44 o 70.667   12.090  45.472     14.381  45.629     20.388  45.316     20.288  69.873  16.896  69.636  16.865  0.2365723      23.87291 
1 1 1 -6  9  45 o 59.079   12.451  32.148     12.439  54.466     17.833  10.999     17.360  77.049  13.761  42.555  16.448  34.49413       21.44482 
1 1 1 -6  9  46 f 122.012  9.8077  132.361    20.718  148.391    29.300  116.332    29.299  128.317 13.269  112.859 15.259  15.45850       20.22174 
1 1 1 -6  9  47 o 84.855   11.985  65.272     17.263  58.988     24.027  71.978     24.821  79.049  17.832  87.804  16.802  -8.754265      24.50051 
1 1 1 -6  9  48 o 76.448   14.451  54.170     18.582  33.448     21.772  109.755    35.659  60.257  18.721  107.667 19.694  -47.41005      27.17209 
1 1 1 -6  9  49 o 63.464   15.498  37.890     17.025  40.640     19.694  29.757     33.865  65.529  17.049  61.876  23.194  3.652725       28.78573 
1 1 1 -6  9  50 o 140.805  11.663  178.231    28.417  134.393    33.917  281.479    52.053  120.312 16.586  174.420 17.321  -54.10739      23.98156 
1 1 1 -6  9  51 o 41.675   15.140  13.385     14.239  2.0909     23.820  19.664     17.761  42.553  18.158  48.462  16.987  -5.909393      24.86474 
1 1 1 -6  9  52 o 79.408   14.548  58.927     19.428  39.833     32.818  69.229     24.105  66.138  23.095  85.429  16.759  -19.29101      28.53526 
1 1 1 -6  9  53 o 214.783  11.706  415.547    43.733  403.417    75.544  421.661    53.635  204.406 21.488  214.691 14.391  -10.28493      25.86172 
1 1 1 -6  9  54 o 175.612  13.449  281.691    40.924  0.0000     0.0000  281.691    40.924  ?       ?       175.612 13.449  0.000000       13.44869 
1 1 1 -6  9  55 o 66.438   16.834  42.678     19.552  0.0000     0.0000  42.678     19.552  ?       ?       66.438  16.834  0.000000       16.83413 
1 1 1 -6  9  56 o 121.798  13.912  137.413    29.055  0.0000     0.0000  137.413    29.055  ?       ?       121.798 13.912  0.000000       13.91160 
1 1 1 -6  9  57 o 129.464  14.932  156.846    33.135  0.0000     0.0000  156.846    33.135  ?       ?       129.464 14.932  0.000000       14.93167 
1 1 1 -6  9  58 o 91.383   13.749  78.284     21.259  112.599    34.451  57.183     27.016  106.871 19.166  75.252  20.156  31.61888       27.81399 
1 1 1 -6  9  59 o 88.754   13.647  74.074     20.472  99.170     33.155  58.611     26.025  99.486  19.783  76.202  19.484  23.28365       27.76660 
1 1 1 -6  9  60 o 127.356  11.971  149.366    26.308  127.303    43.451  162.134    33.056  109.932 23.357  131.066 14.697  -21.13342      27.59659 
1 1 1 -6  9  61 o 67.259   14.559  43.803     16.602  55.857     20.324  19.629     28.781  75.536  15.912  52.198  20.870  23.33751       26.24365 
1 1 1 -6  9  62 f 86.413   13.491  70.931     19.691  89.523     25.436  43.125     31.107  95.994  15.720  64.803  22.493  31.19147       27.44209 
1 1 1 -6  10 1  f 309.500  14.069  843.116    76.031  842.625    93.503  844.074    130.624 308.267 17.443  306.210 24.640  2.056702       30.18876 
1 1 1 -6  10 2  o 161.823  10.192  230.490    28.650  237.764    33.343  209.964    56.008  164.157 11.709  152.183 21.691  11.97372       24.65008 
1 1 1 -6  10 3  o 194.286  10.053  331.780    33.986  355.760    39.452  262.786    66.919  201.032 11.285  170.199 23.116  30.83350       25.72364 
1 1 1 -6  10 4  o 480.435  18.013  2041.67    151.105 2013.68    185.212 2097.39    261.312 475.483 22.309  479.750 31.367  -4.267822      38.49131 
1 1 1 -6  10 5  o 103.266  11.874  94.843     21.020  103.234    26.609  80.916     34.281  107.324 14.577  93.593  21.438  13.73098       25.92446 
1 1 1 -6  10 6  o 265.361  12.773  618.814    59.180  664.053    72.903  531.398    101.340 274.086 15.294  242.730 24.235  31.35612       28.65742 
1 1 1 -6  10 7  o 306.612  17.019  832.821    90.759  861.276    128.513 804.507    128.192 309.658 23.955  298.926 24.784  10.73276       34.46849 
1 1 1 -6  10 8  o 125.156  14.732  139.804    31.578  139.804    31.578  0.0000     0.0000  125.156 14.732  ?       ?       0.000000       14.73205 
1 1 1 -6  10 9  o 93.344   21.100  80.427     33.581  80.427     33.581  0.0000     0.0000  93.344  21.100  ?       ?       0.000000       21.09967 
1 1 1 -6  10 10 o 147.690  21.217  197.637    53.143  197.637    53.143  0.0000     0.0000  147.690 21.217  ?       ?       0.000000       21.21686 
1 1 1 -6  10 11 o 145.327  15.115  188.059    37.793  188.059    37.793  0.0000     0.0000  145.327 15.115  ?       ?       0.000000       15.11479 
1 1 1 -6  10 12 o 503.440  19.011  2245.70    167.115 2221.25    204.888 2294.29    288.847 498.750 23.527  500.407 33.248  -1.656982      40.73003 
1 1 1 -6  10 13 f 613.265  21.562  3346.92    230.885 3442.88    282.963 3155.75    399.376 619.223 26.171  581.503 39.569  37.72003       47.44098 
1 1 1 -6  10 14 o 272.990  13.794  657.449    65.536  622.050    80.623  726.398    112.519 264.665 17.546  284.493 22.844  -19.82874      28.80432 
1 1 1 -6  10 15 o 211.647  12.568  395.054    46.238  376.982    57.015  429.776    79.028  206.087 15.969  218.901 20.931  -12.81487      26.32747 
1 1 1 -6  10 16 o 169.177  10.850  252.155    31.881  269.269    44.446  234.016    45.757  174.201 14.751  161.986 16.404  12.21536       22.06068 
1 1 1 -6  10 17 o 347.286  13.060  1060.81    79.193  1082.71    111.640 1038.62    112.355 349.126 18.378  341.756 18.902  7.370087       26.36372 
1 1 1 -6  10 18 o 94.925   11.140  80.169     18.114  67.027     19.766  149.087    45.263  86.249  13.573  127.854 21.005  -41.60470      25.00906 
1 1 1 -6  10 19 o 474.960  14.272  1987.67    118.358 1634.24    136.367 3066.92    238.301 429.444 18.186  585.524 23.309  -156.0799      29.56399 
1 1 1 -6  10 20 o 128.705  14.929  148.010    32.926  148.010    32.926  0.0000     0.0000  128.705 14.929  ?       ?       0.000000       14.92885 
1 1 1 -6  10 21 o 40.739   16.164  7.8608     17.140  27.909     18.871  -86.6543   40.974  56.226  17.423  36.593  18.030  19.63321       25.07227 
1 1 1 -6  10 22 o 336.800  17.676  1008.09    103.584 969.039    145.100 1048.68    147.922 327.047 25.614  340.554 25.052  -13.50760      35.82858 
1 1 1 -6  10 23 o 224.734  12.497  445.744    48.846  491.825    59.193  347.386    86.479  235.682 14.454  194.612 26.108  41.07043       29.84174 
1 1 1 -6  10 24 f 332.304  12.529  971.962    72.699  947.435    83.706  1047.26    146.660 327.600 14.634  340.076 24.871  -12.47647      28.85672 
1 1 1 -6  10 25 f 254.990  12.710  572.606    56.587  503.729    68.872  715.703    99.271  237.862 16.688  282.523 20.258  -44.66106      26.24676 
1 1 1 -6  10 26 o 214.514  12.354  406.493    46.076  374.334    55.924  474.456    81.300  205.066 15.739  229.577 20.497  -24.51083      25.84241 
1 1 1 -6  10 27 o 65.267   15.121  39.170     16.894  45.102     19.637  22.273     33.141  69.957  16.367  59.446  22.791  10.51138       28.05919 
1 1 1 -6  10 28 o 172.087  11.839  261.970    35.356  231.470    42.623  329.250    63.304  160.966 15.351  191.138 19.229  -30.17207      24.60524 
1 1 1 -6  10 29 o 240.537  12.932  512.019    54.114  501.654    65.787  533.707    95.160  237.245 15.974  242.255 22.764  -5.009995      27.80931 
1 1 1 -6  10 30 o 528.702  19.182  2502.01    177.075 2405.71    216.689 2695.57    307.223 514.766 24.108  535.174 33.039  -20.40741      40.89946 
1 1 1 -6  10 31 o 252.503  12.857  564.708    56.499  516.867    68.755  664.192    99.148  240.429 16.477  270.724 21.142  -30.29459      26.80469 
1 1 1 -6  10 32 o 256.781  16.282  589.634    72.626  589.634    72.626  0.0000     0.0000  256.781 16.282  ?       ?       0.000000       16.28238 
1 1 1 -6  10 33 o 98.462   15.372  88.205     25.565  88.205     25.565  0.0000     0.0000  98.462  15.372  ?       ?       0.000000       15.37233 
1 1 1 -6  10 34 o 70.188   20.404  45.558     26.501  45.558     26.501  0.0000     0.0000  70.188  20.404  ?       ?       0.000000       20.40437 
1 1 1 -6  10 35 o 158.397  21.158  231.602    57.055  231.602    57.055  0.0000     0.0000  158.397 21.158  ?       ?       0.000000       21.15809 
1 1 1 -6  10 36 o 260.531  16.531  610.873    74.811  610.873    74.811  0.0000     0.0000  260.531 16.531  ?       ?       0.000000       16.53103 
1 1 1 -6  10 37 o 215.643  15.543  418.344    58.133  418.344    58.133  0.0000     0.0000  215.643 15.543  ?       ?       0.000000       15.54341 
1 1 1 -6  10 38 o 134.376  11.313  161.001    26.297  108.019    31.232  290.032    48.740  108.276 17.087  179.145 15.742  -70.86820      23.23246 
1 1 1 -6  10 39 f 274.837  13.621  674.176    65.365  639.347    79.601  746.285    114.536 265.390 17.272  282.404 23.440  -17.01352      29.11593 
1 1 1 -6  10 40 o 140.456  10.747  175.766    26.157  165.979    36.728  185.841    37.262  134.866 15.902  143.075 15.146  -8.208572      21.96102 
1 1 1 -6  10 41 o 305.062  11.454  827.149    61.010  842.204    86.116  811.979    86.449  304.720 16.244  298.920 16.629  5.799805       23.24606 
1 1 1 -6  10 42 o 155.871  10.367  216.372    28.055  212.350    39.248  220.573    40.117  152.828 14.897  155.769 14.933  -2.940765      21.09309 
1 1 1 -6  10 43 o 214.340  12.802  412.801    47.692  385.088    57.811  471.840    84.380  205.217 16.267  223.335 21.921  -18.11856      27.29705 
1 1 1 -6  10 44 o 56.069   15.518  29.452     15.708  27.795     17.995  34.754     32.193  54.971  17.010  63.677  22.814  -8.706173      28.45778 
1 1 1 -6  10 45 o 25.733   11.573  -4.9453    10.889  5.7553     12.033  -53.3126   25.583  33.960  13.522  28.714  14.167  5.245804       19.58394 
1 1 1 -6  10 46 o 75.413   14.276  53.115     18.110  50.955     31.956  54.137     21.981  72.484  22.707  75.282  17.110  -2.797997      28.43187 
1 1 1 -6  10 47 o 59.032   15.227  33.047     15.798  39.144     28.291  30.285     19.043  64.621  21.465  56.849  17.483  7.772259       27.68441 
1 1 1 -6  10 48 o 110.104  12.457  110.684    23.527  80.238     40.839  125.808    28.784  88.343  25.226  116.634 14.443  -28.29128      29.06757 
1 1 1 -6  10 49 o 150.232  11.374  204.063    29.615  137.520    49.663  240.781    36.891  115.455 25.331  162.358 13.126  -46.90259      28.52988 
1 1 1 -6  10 50 o 97.084   12.328  86.592     20.427  44.828     33.442  111.450    25.800  68.105  23.340  109.687 13.775  -41.58208      27.10157 
1 1 1 -6  10 51 o 34.608   13.676  6.7258     12.225  11.892     20.073  3.6803     15.413  44.145  17.500  35.621  14.870  8.524479       22.96384 
1 1 1 -6  10 52 o 46.227   15.091  19.471     14.006  16.097     24.264  21.157     17.152  48.903  19.286  48.700  16.714  0.2028999      25.52064 
1 1 1 -6  10 53 o 41.686   15.411  13.581     14.850  24.122     24.163  7.1835     18.825  53.244  19.663  40.386  16.606  12.85778       25.73738 
1 1 1 -6  10 54 o 37.077   14.712  7.9804     14.200  -7.8327    22.741  18.087     18.181  36.880  16.643  46.673  17.085  -9.792664      23.85133 
1 1 1 -6  10 55 o 133.355  12.636  164.661    29.072  146.374    49.077  174.547    36.085  116.745 24.839  135.419 15.542  -18.67377      29.30086 
1 1 1 -6  10 56 o 46.871   16.032  19.995     15.778  18.257     25.772  21.037     19.954  50.141  19.844  49.183  17.915  0.9573517      26.73394 
1 1 1 -6  10 57 o 82.532   15.465  66.340     21.467  70.033     38.906  64.723     25.739  79.270  25.086  79.660  18.807  -0.3902206     31.35243 
1 1 1 -6  10 58 o 47.323   14.957  21.389     13.835  26.659     18.384  14.507     21.009  52.438  17.298  45.295  17.919  7.143227       24.90627 
1 1 1 -6  11 1  o 96.286   14.131  83.614     23.051  58.032     29.268  125.403    37.407  79.054  20.889  117.168 18.930  -38.11436      28.19056 
1 1 1 -6  11 2  o 236.870  13.353  496.737    55.002  448.948    68.167  585.890    93.106  223.998 17.570  254.774 21.120  -30.77638      27.47276 
1 1 1 -6  11 3  o 309.213  12.226  842.390    66.011  852.967    76.525  811.635    130.490 310.681 14.107  298.159 25.304  12.52197       28.97045 
1 1 1 -6  11 4  o 293.866  12.035  760.615    61.755  768.501    71.767  738.117    121.218 294.945 13.936  284.586 24.637  10.35941       28.30554 
1 1 1 -6  11 5  o 123.987  11.297  136.347    24.188  115.194    28.544  190.227    45.555  113.193 14.796  145.035 18.403  -31.84209      23.61327 
1 1 1 -6  11 6  o 163.334  11.282  235.811    31.978  207.614    37.459  311.559    61.397  152.634 14.219  185.910 19.190  -33.27617      23.88380 
1 1 1 -6  11 7  o 286.029  11.783  720.328    58.847  723.117    68.236  712.233    116.250 286.169 13.656  279.799 24.028  6.369202       27.63751 
1 1 1 -6  11 8  o 445.882  15.123  1760.14    117.741 1699.33    136.072 1941.32    234.881 436.928 17.836  458.638 29.486  -21.71057      34.46119 
1 1 1 -6  11 9  o 160.178  10.649  226.542    29.613  226.425    34.464  226.874    57.890  159.808 12.449  157.607 21.605  2.201523       24.93478 
1 1 1 -6  11 10 o 479.352  15.912  2037.79    133.182 2006.97    153.916 2129.61    265.687 474.371 18.582  477.947 32.022  -3.575775      37.02304 
1 1 1 -6  11 11 o 235.136  11.565  486.768    47.483  459.449    55.135  565.213    93.429  227.602 13.941  249.931 21.622  -22.32997      25.72659 
1 1 1 -6  11 12 o 145.494  10.409  187.019    26.268  187.874    30.867  184.773    50.016  145.496 12.264  142.171 20.760  3.324997       24.11242 
1 1 1 -6  11 13 o 44.139   15.072  15.906     13.946  15.906     13.946  0.0000     0.0000  44.139  15.072  ?       ?       0.000000       15.07234 
1 1 1 -6  11 14 o 195.496  12.347  338.310    41.930  338.310    41.930  0.0000     0.0000  195.496 12.347  ?       ?       0.000000       12.34693 
1 1 1 -6  11 15 o 117.204  12.243  122.407    24.685  122.407    24.685  0.0000     0.0000  117.204 12.243  ?       ?       0.000000       12.24287 
1 1 1 -6  11 16 o 380.105  15.546  1282.22    103.176 1225.47    126.100 1397.18    179.465 369.342 19.624  390.004 26.511  -20.66177      32.98408 
1 1 1 -6  11 17 o 357.468  14.801  1132.75    92.384  1041.47    112.727 1319.45    161.221 340.594 19.031  380.200 24.415  -39.60629      30.95588 
1 1 1 -6  11 18 o 240.783  10.930  510.522    45.954  504.252    52.703  530.409    93.860  238.619 12.695  241.160 22.552  -2.541382      25.87962 
1 1 1 -6  11 19 o 354.949  12.953  1113.66    80.281  1077.02    92.475  1225.77    161.753 348.249 15.208  365.192 25.528  -16.94305      29.71423 
1 1 1 -6  11 20 o 177.633  12.154  279.858    37.471  278.259    45.272  283.335    66.769  176.450 14.832  175.593 22.279  0.8566437      26.76409 
1 1 1 -6  11 21 o 248.350  12.504  546.515    54.049  537.203    65.672  566.063    95.156  245.286 15.412  248.951 22.121  -3.664581      26.96059 
1 1 1 -6  11 22 o 292.504  11.741  755.486    59.963  684.440    68.942  976.198    121.515 277.312 14.287  327.641 21.357  -50.32880      25.69530 
1 1 1 -6  11 23 o 212.755  15.605  405.484    57.567  405.484    57.567  0.0000     0.0000  212.755 15.605  ?       ?       0.000000       15.60534 
1 1 1 -6  11 24 o 233.945  22.439  503.333    90.535  503.333    90.535  0.0000     0.0000  233.945 22.439  ?       ?       0.000000       22.43891 
1 1 1 -6  11 25 o 154.299  12.106  211.954    32.354  211.954    32.354  0.0000     0.0000  154.299 12.106  ?       ?       0.000000       12.10623 
1 1 1 -6  11 26 o 63.981   13.459  37.691     14.559  37.691     14.559  0.0000     0.0000  63.981  13.459  ?       ?       0.000000       13.45881 
1 1 1 -6  11 27 f 228.382  13.081  464.811    51.948  464.811    51.948  0.0000     0.0000  228.382 13.081  ?       ?       0.000000       13.08143 
1 1 1 -6  11 28 o 252.589  16.176  574.880    70.967  574.880    70.967  0.0000     0.0000  252.589 16.176  ?       ?       0.000000       16.17591 
1 1 1 -6  11 29 f 168.900  12.284  254.588    35.979  254.588    35.979  0.0000     0.0000  168.900 12.284  ?       ?       0.000000       12.28400 
1 1 1 -6  11 30 o 120.769  10.275  129.835    21.461  115.249    24.205  183.446    46.405  113.207 12.451  140.685 19.408  -27.47839      23.05846 
1 1 1 -6  11 31 o 278.966  11.706  691.130    57.018  660.391    65.526  786.982    115.710 271.437 13.872  289.974 23.043  -18.53781      26.89651 
1 1 1 -6  11 32 o 69.398   12.221  44.067     14.268  36.992     15.720  77.135     33.985  63.005  14.579  89.514  21.919  -26.50914      26.32461 
1 1 1 -6  11 33 o 192.554  12.410  331.928    41.503  324.295    50.114  348.594    74.053  189.106 15.309  192.124 22.501  -3.018692      27.21476 
1 1 1 -6  11 34 o 122.050  11.940  133.966    25.120  118.708    29.780  171.594    46.767  113.714 15.394  134.830 20.512  -21.11606      25.64615 
1 1 1 -6  11 35 o 154.161  10.537  212.003    28.193  203.169    32.095  241.860    59.002  150.307 12.338  159.530 21.749  -9.223282      25.00453 
1 1 1 -6  11 36 o 85.678   11.341  66.504     16.549  63.638     18.348  79.003     38.320  83.304  13.042  89.357  24.036  -6.053207      27.34621 
1 1 1 -6  11 37 o 107.071  10.923  103.161    20.135  88.261     22.518  162.617    44.981  98.170  13.493  130.600 20.392  -32.42992      24.45167 
1 1 1 -6  11 38 o 277.799  11.258  689.561    54.606  637.529    62.663  853.773    111.321 265.431 13.566  299.674 21.416  -34.24225      25.35106 
1 1 1 -6  11 39 o 84.059   11.094  64.180     15.885  59.726     17.511  84.885     37.753  80.504  12.892  92.079  23.426  -11.57513      26.73899 
1 1 1 -6  11 40 o 117.812  10.469  124.836    21.311  122.394    23.913  134.263    46.980  116.129 11.964  115.641 24.051  0.4880524      26.86219 
1 1 1 -6  11 41 o 98.568   17.206  92.444     28.536  79.766     38.527  107.852    42.474  88.430  24.233  103.055 24.044  -14.62460      34.13715 
1 1 1 -6  11 42 o 31.788   13.415  1.6607     12.759  0.0000     0.0000  1.6607     12.759  ?       ?       31.788  13.415  0.000000       13.41480 
1 1 1 -6  11 43 o 75.385   17.443  55.200     22.505  0.0000     0.0000  55.200     22.505  ?       ?       75.385  17.443  0.000000       17.44346 
1 1 1 -6  11 44 o 108.643  12.596  108.548    23.450  145.218    39.541  88.652     29.125  122.198 19.162  95.516  18.127  26.68288       26.37731 
1 1 1 -6  11 45 o 60.680   15.164  35.442     16.021  32.596     26.117  37.158     20.286  59.219  20.608  61.698  17.828  -2.478836      27.24902 
1 1 1 -6  11 46 o 59.454   15.311  34.159     15.990  26.652     24.594  39.657     21.046  54.975  19.909  63.446  18.106  -8.471016      26.91117 
1 1 1 -6  11 47 o 165.012  10.708  246.979    30.685  219.084    42.600  277.060    44.238  151.670 16.344  171.893 14.886  -20.22289      22.10718 
1 1 1 -6  11 48 o 104.009  11.042  99.104     19.746  90.824     27.159  108.389    28.759  96.729  16.683  106.250 15.998  -9.520584      23.11387 
1 1 1 -6  11 49 o 71.461   14.637  49.242     17.649  36.775     28.147  57.319     22.656  61.351  21.391  75.921  17.456  -14.57046      27.60930 
1 1 1 -6  11 50 o 210.460  12.516  409.415    45.787  368.665    78.167  430.699    56.493  185.717 24.719  213.019 15.290  -27.30139      29.06581 
1 1 1 -6  11 51 o 56.034   16.762  31.015     17.674  33.961     34.095  29.933     20.667  60.520  23.137  55.384  18.344  5.135624       29.52703 
1 1 1 -6  11 52 o 84.741   15.120  69.856     21.552  64.556     39.925  72.035     25.603  75.700  25.504  84.424  17.922  -8.724159      31.17164 
1 1 1 -6  11 53 o 76.898   15.583  58.401     20.207  46.485     37.601  63.240     23.961  66.274  24.518  78.781  17.834  -12.50697      30.31854 
1 1 1 -6  11 54 o 115.992  13.201  127.746    26.259  137.260    47.235  123.491    31.591  109.503 25.224  111.420 16.757  -1.916656      30.28293 
1 1 1 -6  12 1  o 305.698  11.972  828.881    63.901  846.423    74.045  777.692    126.486 308.139 13.762  287.379 25.471  20.75989       28.95121 
1 1 1 -6  12 2  o 197.070  11.070  344.690    37.938  330.861    44.219  383.268    73.854  192.386 13.244  203.656 21.074  -11.27031      24.89003 
1 1 1 -6  12 3  o 205.662  10.370  374.558    37.120  405.811    43.370  288.956    71.778  213.696 11.668  175.087 24.119  38.60944       26.79279 
1 1 1 -6  12 4  o 180.724  12.818  291.672    40.185  260.759    49.983  348.176    67.576  169.326 17.142  194.481 20.194  -25.15514      26.48883 
1 1 1 -6  12 5  o 236.362  13.002  498.228    53.452  483.213    65.873  527.177    91.462  231.326 16.415  238.471 22.221  -7.145523      27.62709 
1 1 1 -6  12 6  o 111.657  13.495  112.533    25.776  77.825     32.532  171.063    42.246  90.555  20.985  136.447 18.185  -45.89256      27.76827 
1 1 1 -6  12 7  o 106.570  12.594  102.214    22.982  98.968     28.963  107.731    37.762  103.742 16.545  106.874 20.985  -3.132545      26.72266 
1 1 1 -6  12 8  o 304.448  12.444  823.175    66.149  787.311    76.547  928.943    131.454 296.712 14.775  315.444 24.048  -18.73154      28.22397 
1 1 1 -6  12 9  o 149.048  10.538  197.311    27.248  194.913    31.907  203.771    52.367  147.628 12.495  147.972 20.846  -0.3443451     24.30402 
1 1 1 -6  12 10 o 201.911  9.7931  359.804    34.526  395.883    40.308  260.414    66.901  211.232 10.966  166.124 23.739  45.10762       26.15002 
1 1 1 -6  12 11 o 186.179  10.465  307.368    33.883  314.862    39.437  286.240    66.217  187.965 12.080  175.037 22.162  12.92760       25.24081 
1 1 1 -6  12 12 o 13.232   6.5133  -11.2532   5.3051  -14.2402   6.0420  -1.1991    11.085  13.624  6.7511  28.276  12.230  -14.65203      13.96957 
1 1 1 -6  12 13 o 164.895  11.907  242.561    34.051  232.186    41.732  263.231    58.901  160.277 15.090  168.468 20.442  -8.191116      25.40824 
1 1 1 -6  12 14 o 196.292  12.216  343.709    41.661  335.079    51.076  360.861    72.009  192.638 15.311  197.028 21.269  -4.390289      26.20679 
1 1 1 -6  12 15 f 210.825  12.544  396.904    45.970  385.815    56.427  418.787    79.270  206.521 15.767  212.007 21.721  -5.485733      26.83994 
1 1 1 -6  12 16 o 215.405  12.501  414.402    46.814  413.434    57.471  416.311    80.706  213.876 15.494  210.909 22.251  2.967148       27.11442 
1 1 1 -6  12 17 o 81.899   12.683  61.091     17.551  61.091     17.551  0.0000     0.0000  81.899  12.683  ?       ?       0.000000       12.68337 
1 1 1 -6  12 18 o 157.649  11.829  222.198    32.323  222.198    32.323  0.0000     0.0000  157.649 11.829  ?       ?       0.000000       11.82860 
1 1 1 -6  12 19 o 181.469  12.055  294.444    37.979  294.444    37.979  0.0000     0.0000  181.469 12.055  ?       ?       0.000000       12.05479 
1 1 1 -6  12 20 o 139.243  14.518  176.018    34.778  176.018    34.778  0.0000     0.0000  139.243 14.518  ?       ?       0.000000       14.51801 
1 1 1 -6  12 21 o 66.504   13.249  40.909     14.844  42.528     16.708  34.842     32.343  67.530  14.595  64.140  22.879  3.389740       27.13841 
1 1 1 -6  12 22 o 150.890  11.792  204.086    30.822  189.549    36.714  238.794    56.729  144.314 14.778  159.133 20.924  -14.81889      25.61637 
1 1 1 -6  12 23 o 191.037  12.319  327.398    40.872  310.485    49.198  365.071    73.427  184.632 15.402  196.431 21.775  -11.79875      26.67097 
1 1 1 -6  12 24 f 71.228   14.079  47.176     16.890  47.840     19.364  45.063     34.534  71.264  15.958  70.035  23.719  1.229279       28.58797 
1 1 1 -6  12 25 o 128.995  12.268  150.169    27.299  150.899    32.530  148.432    50.195  128.386 14.781  122.811 24.268  5.575111       28.41529 
1 1 1 -6  12 26 o 50.706   14.402  23.887     13.348  24.737     14.938  20.519     29.734  51.730  15.396  55.189  21.471  -3.459686      26.42046 
1 1 1 -6  12 27 o 187.089  12.330  315.268    40.052  304.590    48.290  338.806    71.697  182.381 15.306  187.732 22.309  -5.350815      27.05494 
1 1 1 -6  12 28 o 151.059  10.527  204.315    27.593  182.292    31.399  278.993    57.818  141.785 12.822  171.738 19.634  -29.95313      23.44998 
1 1 1 -6  12 29 f 57.917   13.519  31.490     13.422  26.140     14.775  56.765     32.115  52.845  15.199  75.935  22.568  -23.09004      27.20895 
1 1 1 -6  12 30 o 176.496  10.443  278.990    32.039  253.038    36.724  361.663    65.547  167.056 12.685  195.272 19.484  -28.21658      23.24976 
1 1 1 -6  12 31 o 45.295   13.954  18.758     12.125  14.341     13.267  41.163     29.879  41.716  14.678  65.990  22.064  -24.27362      26.50031 
1 1 1 -6  12 32 o 119.205  10.469  128.027    21.570  116.869    24.283  169.753    46.957  113.103 12.505  131.800 21.117  -18.69655      24.54232 
1 1 1 -6  12 33 o 156.252  10.369  219.451    28.128  195.136    31.894  304.546    59.665  146.296 12.609  178.157 19.499  -31.86014      23.22028 
1 1 1 -6  12 34 f 142.920  11.113  184.784    27.513  187.723    31.309  174.819    57.648  143.334 12.639  129.250 26.436  14.08438       29.30176 
1 1 1 -6  12 35 o 84.854   25.273  75.601     40.240  0.0000     0.0000  75.601     40.240  ?       ?       84.854  25.273  0.000000       25.27252 
1 1 1 -6  12 36 o 158.347  23.635  255.050    63.346  0.0000     0.0000  255.050    63.346  ?       ?       158.347 23.635  0.000000       23.63456 
1 1 1 -6  12 37 o 146.663  24.612  223.146    60.794  0.0000     0.0000  223.146    60.794  ?       ?       146.663 24.612  0.000000       24.61168 
1 1 1 -6  12 38 o 48.755   16.091  21.878     15.906  10.135     19.377  46.142     27.853  42.435  17.068  67.677  21.199  -25.24192      27.21600 
1 1 1 -6  12 39 o 134.576  12.489  167.023    29.013  142.539    34.339  228.100    54.237  121.825 16.573  150.522 21.226  -28.69703      26.92960 
1 1 1 -6  12 40 o 86.649   11.342  69.302     16.748  46.782     18.472  173.359    39.706  69.280  15.640  133.641 17.431  -64.36061      23.41923 
1 1 1 -6  12 41 o 77.624   11.951  56.246     15.679  45.178     17.227  109.642    37.839  68.259  14.875  102.704 21.776  -34.44562      26.37144 
1 1 1 -6  12 42 o 140.958  10.189  180.716    24.908  142.272    28.079  322.654    53.954  123.274 13.253  182.352 17.147  -59.07765      21.67162 
1 1 1 -6  12 43 o 187.719  10.090  320.120    32.950  274.909    37.487  473.732    69.098  172.085 12.563  219.305 18.210  -47.22041      22.12263 
1 1 1 -6  12 44 o 121.569  12.768  138.393    26.698  111.072    31.791  203.774    49.179  105.460 17.905  140.828 20.610  -35.36771      27.30108 
1 1 1 -6  12 45 o 36.292   13.705  9.8389     11.870  8.2028     17.130  11.350     16.464  39.097  15.931  40.587  15.925  -1.490482      22.52537 
1 1 1 -6  12 46 o 50.465   14.392  24.919     13.301  16.218     19.053  33.191     18.578  45.099  17.283  57.368  17.191  -12.26945      24.37720 
1 1 1 -6  12 47 o 55.215   17.850  30.674     19.619  0.0000     0.0000  30.674     19.619  ?       ?       55.215  17.850  0.000000       17.84975 
1 1 1 -6  12 48 o 115.358  16.265  132.154    31.853  0.0000     0.0000  132.154    31.853  ?       ?       115.358 16.265  0.000000       16.26545 
1 1 1 -6  12 49 o 58.311   16.699  34.889     17.871  53.478     31.365  25.954     21.746  68.844  22.589  51.779  18.726  17.06505       29.34153 
1 1 1 -6  13 1  o 106.449  13.099  103.855    23.834  90.233     28.705  134.091    42.766  97.333  17.535  116.839 21.764  -19.50550      27.94883 
1 1 1 -6  13 2  f 75.571   14.019  53.370     17.817  66.673     22.279  29.768     29.675  84.049  15.760  59.515  21.821  24.53395       26.91745 
1 1 1 -6  13 3  o 184.881  12.471  309.343    40.023  286.733    49.118  354.016    69.044  175.870 16.176  191.961 20.939  -16.09183      26.45948 
1 1 1 -6  13 4  o 42.637   14.784  15.260     13.436  20.796     16.796  5.4246     22.388  48.749  16.542  42.788  17.896  5.960838       24.37030 
1 1 1 -6  13 5  o 91.255   13.017  76.592     20.153  68.909     24.732  91.771     34.764  84.925  17.267  96.544  21.203  -11.61874      27.34448 
1 1 1 -6  13 6  o 131.965  12.063  157.813    27.488  151.869    33.804  169.417    47.227  127.973 15.440  132.070 21.197  -4.097717      26.22403 
1 1 1 -6  13 7  o 94.214   12.903  81.498     20.668  66.551     25.920  107.599    34.251  83.007  18.369  105.690 19.270  -22.68240      26.62272 
1 1 1 -6  13 8  o 179.796  10.602  289.808    33.137  297.171    38.790  269.922    63.746  181.247 12.330  166.166 22.554  15.08035       25.70423 
1 1 1 -6  13 9  o 105.983  13.599  103.340    24.584  88.778     31.382  126.475    39.555  95.661  19.451  114.007 20.630  -18.34658      28.35330 
1 1 1 -6  13 10 o 258.611  13.844  609.253    62.288  555.377    76.737  713.308    106.645 243.235 18.200  270.606 22.782  -27.37132      29.15970 
1 1 1 -6  13 11 o 108.287  13.436  107.763    24.858  76.503     31.205  162.053    41.123  88.093  20.647  130.472 18.576  -42.37962      27.77305 
1 1 1 -6  13 12 o 178.997  12.539  290.561    38.941  276.317    48.370  316.799    65.647  172.372 16.263  180.988 21.173  -8.616180      26.69830 
1 1 1 -6  13 13 o 141.620  12.663  182.581    30.982  163.167    38.728  217.095    51.637  131.539 17.280  150.078 20.220  -18.53905      26.59781 
1 1 1 -6  13 14 o 77.284   14.052  55.922     18.264  56.101     24.005  55.675     28.145  75.952  18.314  75.016  20.775  0.9361954      27.69526 
1 1 1 -6  13 15 o 46.182   13.662  19.776     11.789  29.464     14.987  4.0540     19.093  55.709  15.051  39.300  16.488  16.40818       22.32481 
1 1 1 -6  13 16 o 46.482   13.357  20.141     11.415  26.174     14.300  9.5445     18.952  52.645  14.891  42.188  16.911  10.45726       22.53263 
1 1 1 -6  13 17 o 190.053  12.439  328.176    41.051  328.176    41.051  0.0000     0.0000  190.053 12.439  ?       ?       0.000000       12.43903 
1 1 1 -6  13 18 o 187.674  10.642  316.891    34.729  319.558    39.710  308.213    71.621  187.605 12.189  175.021 24.073  12.58435       26.98326 
1 1 1 -6  13 19 o 64.060   12.735  38.446     13.743  42.884     15.163  18.035     32.521  67.554  13.329  54.479  22.041  13.07452       25.75809 
1 1 1 -6  13 20 o 46.287   14.024  19.890     12.313  15.424     13.467  42.650     30.401  42.585  14.799  66.346  22.256  -23.76182      26.72717 
1 1 1 -6  13 21 o 99.489   10.837  90.015     18.522  81.542     20.860  121.578    40.261  93.781  13.097  110.027 21.727  -16.24646      25.36925 
1 1 1 -6  13 22 o 132.786  10.404  159.304    23.930  147.914    27.182  198.544    50.453  127.022 12.414  141.600 21.046  -14.57828      24.43464 
1 1 1 -6  13 23 o 104.353  10.901  99.152     19.570  83.423     22.027  158.095    42.641  94.478  13.756  126.739 19.926  -32.26130      24.21342 
1 1 1 -6  13 24 o 85.358   12.177  67.446     17.635  75.460     19.689  34.940     39.654  90.079  12.885  63.987  24.823  26.09213       27.96784 
1 1 1 -6  13 25 o 83.045   11.441  63.550     16.149  50.980     18.062  113.636    36.054  73.016  14.676  106.687 20.091  -33.67081      24.88086 
1 1 1 -6  13 26 o 99.337   13.382  92.179     22.621  87.852     26.913  102.592    41.753  95.228  16.800  98.119  24.458  -2.890495      29.67171 
1 1 1 -6  13 27 o 74.341   14.231  52.735     17.800  40.050     20.690  88.864     34.917  63.550  17.889  92.585  21.936  -29.03589      28.30509 
1 1 1 -6  13 28 o 134.613  12.733  167.770    29.574  161.254    35.464  182.644    53.585  129.894 15.973  131.542 24.222  -1.648209      29.01491 
1 1 1 -6  13 29 o 92.908   12.777  80.706     20.179  71.522     23.605  105.639    38.891  85.613  16.388  100.133 22.760  -14.52097      28.04561 
1 1 1 -6  13 30 o 122.001  25.400  162.174    52.350  0.0000     0.0000  162.174    52.350  ?       ?       122.001 25.400  0.000000       25.40045 
1 1 1 -6  13 31 o 41.372   18.369  -2.7961    26.512  0.0000     0.0000  -2.7961    26.512  ?       ?       41.372  18.369  0.000000       18.36917 
1 1 1 -6  13 32 o 156.387  24.276  262.586    64.141  0.0000     0.0000  262.586    64.141  ?       ?       156.387 24.276  0.000000       24.27635 
1 1 1 -6  13 33 o 79.922   14.498  61.706     19.487  59.400     22.668  68.233     38.143  76.917  17.298  78.125  24.851  -1.208199      30.27831 
1 1 1 -6  13 34 o 117.660  13.145  130.441    26.545  127.258    31.378  138.452    49.783  114.124 16.201  110.083 26.266  4.040283       30.86096 
1 1 1 -6  13 35 o 117.887  12.803  130.727    25.931  123.518    30.523  149.428    49.160  112.380 16.007  115.398 25.111  -3.018196      29.77931 
1 1 1 -6  13 36 o 45.073   14.695  19.196     13.281  20.101     14.671  15.083     31.260  46.209  15.461  50.439  21.126  -4.229401      26.17912 
1 1 1 -6  13 37 o 39.015   14.398  12.451     12.949  22.453     14.265  -34.4136   30.877  48.110  15.186  35.463  17.048  12.64765       22.83079 
1 1 1 -6  13 38 o 51.838   15.986  26.696     15.910  21.785     18.145  43.023     33.084  48.301  17.147  63.529  23.079  -15.22786      28.75135 
1 1 1 -6  13 39 o 92.508   14.388  83.399     22.484  90.663     26.437  64.407     42.746  95.016  16.536  73.348  26.288  21.66831       31.05625 
1 1 1 -6  13 40 o 75.353   15.116  56.592     19.197  44.880     22.252  90.682     37.963  65.100  18.631  88.253  24.001  -23.15302      30.38384 
1 1 1 -6  13 41 o 123.546  13.064  146.159    27.753  142.627    32.830  155.003    51.954  119.361 16.169  112.528 26.821  6.832504       31.31799 
1 1 1 -6  13 42 o 36.544   14.332  9.4132     13.330  22.495     14.638  -54.1602   32.268  47.672  15.419  32.441  15.987  15.23192       22.21090 
1 1 1 -6  13 43 o 41.496   14.392  16.051     12.733  20.364     14.233  -1.2351    28.492  45.639  15.228  41.686  18.737  3.953358       24.14526 
1 1 1 -6  14 1  o 75.817   23.203  62.727     33.589  62.727     33.589  0.0000     0.0000  75.817  23.203  ?       ?       0.000000       23.20309 
1 1 1 -6  14 2  o 23.110   11.098  -17.4126   13.003  -17.4126   13.003  0.0000     0.0000  23.110  11.098  ?       ?       0.000000       11.09756 
1 1 1 -6  14 3  o 119.258  13.434  134.057    27.487  134.057    27.487  0.0000     0.0000  119.258 13.434  ?       ?       0.000000       13.43382 
1 1 1 -6  14 4  o 62.784   16.366  39.287     18.125  39.287     18.125  0.0000     0.0000  62.784  16.366  ?       ?       0.000000       16.36612 
1 1 1 -6  14 5  o 87.082   12.426  71.235     18.357  75.022     21.036  59.140     37.592  88.565  14.074  73.400  24.748  15.16419       28.46996 
1 1 1 -6  14 6  o 142.870  11.255  187.798    27.849  174.605    32.214  226.827    55.406  136.049 13.750  147.116 22.265  -11.06630      26.16866 
1 1 1 -6  14 7  o 36.330   13.379  10.377     11.173  18.080     14.682  -0.2234    17.223  44.749  15.458  34.766  15.140  9.983875       21.63712 
1 1 1 -6  14 8  o 173.940  10.459  276.083    31.618  296.115    37.112  223.044    60.388  179.000 11.942  142.656 25.163  36.34349       27.85346 
1 1 1 -6  14 9  o 107.943  11.409  107.815    21.178  112.489    25.034  96.049     39.715  109.143 13.419  93.184  24.195  15.95863       27.66699 
1 1 1 -6  14 10 o 220.141  11.647  446.385    44.611  410.913    51.828  547.826    87.644  208.432 14.328  229.093 22.188  -20.66090      26.41238 
1 1 1 -6  14 11 o 56.310   14.787  31.115     14.725  36.007     17.767  20.382     26.317  60.059  16.455  51.079  20.104  8.979435       25.97981 
1 1 1 -6  14 12 o 78.350   12.542  58.043     16.580  61.582     20.087  50.478     29.368  79.515  15.018  68.928  21.793  10.58725       26.46650 
1 1 1 -6  14 13 f 88.860   12.132  74.050     18.332  67.276     22.228  88.457     32.416  82.623  15.986  91.774  20.720  -9.151054      26.16983 
1 1 1 -6  14 14 o 54.888   14.018  29.409     13.482  33.108     16.865  22.859     22.443  57.657  16.123  50.847  18.916  6.809692       24.85487 
1 1 1 -6  14 15 o 53.871   14.570  28.476     14.035  12.754     17.400  57.744     23.742  42.087  16.411  75.056  18.285  -32.96881      24.56938 
1 1 1 -6  14 16 o 45.536   16.148  18.612     16.089  18.612     16.089  0.0000     0.0000  45.536  16.148  ?       ?       0.000000       16.14816 
1 1 1 -6  14 17 o 41.601   17.354  7.9464     20.972  7.9464     20.972  0.0000     0.0000  41.601  17.354  ?       ?       0.000000       17.35376 
1 1 1 -6  14 18 o 183.575  16.147  328.582    51.229  360.608    72.922  297.373    71.986  182.503 23.424  161.618 26.422  20.88507       35.31033 
1 1 1 -6  14 19 f 63.518   20.425  42.426     25.713  11.514     38.227  67.968     34.749  52.140  22.631  77.722  23.561  -25.58255      32.66985 
1 1 1 -6  14 20 o 47.711   18.967  17.119     23.644  24.659     37.805  12.274     30.303  56.523  23.415  48.699  20.619  7.823921       31.19970 
1 1 1 -6  14 21 o 183.850  17.090  335.616    54.234  308.426    78.101  360.936    75.368  159.713 29.077  179.825 24.653  -20.11154      38.12147 
1 1 1 -6  14 22 o 163.721  13.237  254.075    37.516  252.122    45.777  258.070    65.470  159.501 16.684  149.825 25.967  9.675735       30.86485 
1 1 1 -6  14 23 o 153.875  12.896  224.002    34.330  205.220    41.728  263.339    60.389  143.308 17.008  155.005 23.011  -11.69638      28.61443 
1 1 1 -6  14 24 o 116.630  16.194  135.162    32.088  118.976    43.945  153.649    46.966  100.943 25.051  116.761 23.843  -15.81839      34.58370 
1 1 1 -6  14 25 o 123.923  16.097  152.537    34.008  126.348    45.734  184.927    50.862  103.386 25.495  128.482 23.539  -25.09580      34.70011 
1 1 1 -6  14 26 o 50.124   17.726  24.318     19.373  26.845     24.586  20.178     31.462  52.934  19.778  51.790  21.400  1.144253       29.13984 
1 1 1 -6  14 27 o 47.893   13.859  22.622     12.251  16.536     13.477  51.584     29.399  42.399  14.800  67.804  21.844  -25.40522      26.38546 
1 1 1 -6  14 28 o 30.267   12.329  4.4664     10.254  11.526     11.048  -39.4142   27.545  36.833  13.343  31.604  15.405  5.229244       20.38056 
1 1 1 -6  14 29 o 82.038   12.132  64.409     16.854  64.414     18.848  64.389     37.656  81.035  13.816  72.830  24.768  8.204529       28.36057 
1 1 1 -6  14 30 f 82.747   12.277  65.765     17.200  54.839     19.264  108.703    38.188  73.506  15.498  97.086  22.899  -23.58023      27.65014 
1 1 1 -6  14 31 o 50.585   14.629  25.822     13.655  23.735     15.421  33.397     29.379  48.638  15.833  56.607  21.516  -7.969109      26.71427 
1 1 1 -6  14 32 o 25.267   11.396  -3.8654    10.644  -9.6393    11.605  26.738     26.718  23.815  11.150  52.471  20.370  -28.65557      23.22193 
1 1 1 -6  14 33 o 48.576   14.801  23.881     13.686  18.708     15.521  41.962     29.017  44.366  15.847  60.780  21.672  -16.41371      26.84802 
1 1 1 -6  14 34 o 67.806   14.183  46.380     16.252  38.655     18.186  77.021     36.220  60.346  16.696  78.413  24.111  -18.06760      29.32720 
1 1 1 -6  14 35 o 127.498  11.283  154.478    24.860  137.040    28.168  215.908    52.869  117.547 14.000  135.206 23.232  -17.65893      27.12366 
1 1 1 -6  14 36 o 84.372   13.273  70.528     18.908  58.441     21.122  119.292    42.425  74.115  16.720  96.710  24.956  -22.59566      30.03960 
1 1 1 -6  15 1  o 48.014   18.074  22.622     20.607  22.622     20.607  0.0000     0.0000  48.014  18.074  ?       ?       0.000000       18.07398 
1 1 1 -6  15 2  o 55.123   19.439  33.281     23.284  33.281     23.284  0.0000     0.0000  55.123  19.439  ?       ?       0.000000       19.43929 
1 1 1 -6  15 3  o 69.339   17.742  52.324     21.569  39.678     26.404  77.688     37.394  58.974  20.709  77.521  24.600  -18.54644      32.15603 
1 1 1 -6  15 4  o 15.603   7.8330  -26.2694   9.3578  -17.3638   10.396  -64.2923   21.481  19.351  9.4394  22.467  11.353  -3.115850      14.76427 
1 1 1 -6  15 5  o 127.124  16.640  167.737    36.048  159.725    49.499  176.785    52.602  112.050 25.829  117.427 26.308  -5.376656      36.86796 
1 1 1 -6  15 6  o 114.332  26.196  167.462    51.175  167.462    51.175  0.0000     0.0000  114.332 26.196  ?       ?       0.000000       26.19620 
1 1 1 -6  15 7  o 65.255   23.936  53.121     35.710  53.121     35.710  0.0000     0.0000  65.255  23.936  ?       ?       0.000000       23.93553 
1 1 1 -6  15 8  o 50.205   19.721  24.301     25.278  24.301     25.278  0.0000     0.0000  50.205  19.721  ?       ?       0.000000       19.72120 
1 1 1 -6  15 9  o 100.533  20.176  113.189    34.185  113.189    34.185  0.0000     0.0000  100.533 20.176  ?       ?       0.000000       20.17563 
1 1 1 -6  15 10 o 77.182   21.330  70.051     29.703  70.051     29.703  0.0000     0.0000  77.182  21.330  ?       ?       0.000000       21.33036 
1 1 1 -6  15 11 o 166.999  13.646  274.297    39.444  266.632    49.828  287.162    64.552  157.684 18.446  152.717 25.079  4.967865       31.13233 
1 1 1 -6  15 12 o 76.757   16.998  62.751     22.180  65.683     28.638  58.356     35.063  74.847  21.038  67.892  23.863  6.954346       31.81278 
1 1 1 -6  15 13 o 96.523   12.101  90.170     19.946  87.275     23.485  97.661     37.781  92.606  15.040  88.447  23.898  4.159203       28.23677 
1 1 1 -6  15 14 o 51.264   16.683  27.679     17.121  27.679     17.121  0.0000     0.0000  51.264  16.683  ?       ?       0.000000       16.68286 
1 1 1 -6  15 15 o 35.349   14.338  7.9224     13.799  7.9224     13.799  0.0000     0.0000  35.349  14.338  ?       ?       0.000000       14.33792 
1 1 1 -6  15 16 o 23.429   10.882  -7.4647    10.702  -7.4647    10.702  0.0000     0.0000  23.429  10.882  ?       ?       0.000000       10.88186 
1 1 1 -6  15 17 o 66.937   15.073  46.511     17.193  46.511     17.193  0.0000     0.0000  66.937  15.073  ?       ?       0.000000       15.07282 
1 1 1 -6  15 18 o 39.384   16.236  10.231     18.052  10.231     18.052  0.0000     0.0000  39.384  16.236  ?       ?       0.000000       16.23571 
1 1 1 -6  15 19 o 42.064   16.637  14.838     18.106  20.776     22.558  4.0830     30.357  47.092  18.588  43.259  19.400  3.833317       26.86774 
1 1 1 -6  15 20 o 27.956   12.679  -4.3833    13.392  4.8230     15.496  -31.5512   26.619  34.575  14.697  31.654  15.364  2.920849       21.26170 
1 1 1 -6  15 21 o 89.723   12.927  79.826     19.667  79.707     22.349  80.234     41.410  87.822  15.120  75.168  25.960  12.65379       30.04255 
1 1 1 -6  15 22 o 66.243   14.385  45.370     16.162  54.675     18.090  8.5689     35.976  72.603  14.772  46.591  20.988  26.01210       25.66544 
1 1 1 -6  15 23 o 31.667   12.963  5.6820     11.406  3.2746     12.439  18.399     28.589  30.982  13.169  47.318  20.031  -16.33630      23.97166 
1 1 1 -6  15 24 o 66.362   17.495  49.204     20.559  60.631     24.783  23.983     36.818  72.148  19.297  51.286  22.236  20.86188       29.44142 
1 1 1 -6  15 25 o 48.014   17.055  24.533     17.954  33.535     21.361  2.8715     33.136  54.198  18.650  43.390  19.781  10.80774       27.18649 
1 1 1 -6  15 26 o 79.569   16.877  69.369     22.720  59.319     27.419  91.390     40.587  69.101  20.925  79.366  25.675  -10.26497      33.12249 
1 1 1 -5  0  1  o 541.743  34.118  2606.67    319.801 2606.67    319.801 2606.67    319.801 541.743 34.118  541.743 34.118  0.000000       0.000000 
1 1 1 -5  0  2  o 127.283  21.371  153.124    43.473  153.124    43.473  153.124    43.473  127.283 21.371  127.283 21.371  0.000000       0.000000 
1 1 1 -5  0  3  o 142.881  21.052  189.811    49.175  189.811    49.175  189.811    49.175  142.881 21.052  142.881 21.052  0.000000       0.000000 
1 1 1 -5  0  4  o 309.879  24.532  856.379    130.821 856.379    130.821 856.379    130.821 309.879 24.532  309.879 24.532  0.000000       0.000000 
1 1 1 -5  0  5  f 511.311  32.740  2322.25    289.550 2322.25    289.550 2322.25    289.550 511.311 32.740  511.311 32.740  0.000000       0.000000 
1 1 1 -5  0  6  o 173.251  21.008  273.940    61.065  273.940    61.065  273.940    61.065  173.251 21.008  173.251 21.008  0.000000       0.000000 
1 1 1 -5  0  7  o 151.651  20.912  212.343    52.375  212.343    52.375  212.343    52.375  151.651 20.912  151.651 20.912  0.000000       0.000000 
1 1 1 -5  0  8  o 90.597   22.857  84.121     31.270  84.121     31.270  84.121     31.270  90.597  22.857  90.597  22.857  0.000000       0.000000 
1 1 1 -5  0  9  o 165.181  20.928  249.958    57.721  249.958    57.721  249.958    57.721  165.181 20.928  165.181 20.928  0.000000       0.000000 
1 1 1 -5  0  10 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -5  0  11 f 166.463  20.943  253.746    58.257  253.746    58.257  253.746    58.257  166.463 20.943  166.463 20.943  0.000000       0.000000 
1 1 1 -5  0  12 o 724.843  42.974  4685.77    539.518 4685.77    539.518 4685.77    539.518 724.843 42.974  724.843 42.974  0.000000       0.000000 
1 1 1 -5  0  13 f 531.753  33.716  2515.93    310.161 2515.93    310.161 2515.93    310.161 531.753 33.716  531.753 33.716  0.000000       0.000000 
1 1 1 -5  0  14 o 272.645  23.302  665.394    109.069 665.394    109.069 665.394    109.069 272.645 23.302  272.645 23.302  0.000000       0.000000 
1 1 1 -5  0  15 f 512.216  32.853  2336.32    291.054 2336.32    291.054 2336.32    291.054 512.216 32.853  512.216 32.853  0.000000       0.000000 
1 1 1 -5  0  16 o 73.105   23.088  58.871     25.908  58.871     25.908  58.871     25.908  73.105  23.088  73.105  23.088  0.000000       0.000000 
1 1 1 -5  0  17 o 917.283  53.180  7591.53    845.199 7591.53    845.199 7591.53    845.199 917.283 53.180  917.283 53.180  0.000000       0.000000 
1 1 1 -5  0  18 o 205.237  21.461  381.125    74.982  381.125    74.982  381.125    74.982  205.237 21.461  205.237 21.461  0.000000       0.000000 
1 1 1 -5  0  19 o 80.241   23.095  68.727     28.063  68.727     28.063  68.727     28.063  80.241  23.095  80.241  23.095  0.000000       0.000000 
1 1 1 -5  0  20 o 205.518  21.481  382.385    75.155  382.385    75.155  382.385    75.155  205.518 21.481  205.518 21.481  0.000000       0.000000 
1 1 1 -5  0  21 o 109.542  22.061  117.089    37.398  117.089    37.398  117.089    37.398  109.542 22.061  109.542 22.061  0.000000       0.000000 
1 1 1 -5  0  22 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -5  0  23 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -5  0  24 o 159.856  14.129  228.872    38.728  228.872    38.728  228.872    38.728  159.856 14.129  159.856 14.129  0.000000       0.000000 
1 1 1 -5  0  25 o 568.634  24.762  2863.78    244.798 2863.78    244.798 2863.78    244.798 568.634 24.762  568.634 24.762  0.000000       0.000000 
1 1 1 -5  0  26 o 302.463  16.926  809.557    88.748  809.557    88.748  809.557    88.748  302.463 16.926  302.463 16.926  0.000000       0.000000 
1 1 1 -5  0  27 o 267.805  16.124  635.372    74.771  635.372    74.771  635.372    74.771  267.805 16.124  267.805 16.124  0.000000       0.000000 
1 1 1 -5  0  28 o 462.686  21.427  1893.98    172.259 1893.98    172.259 1893.98    172.259 462.686 21.427  462.686 21.427  0.000000       0.000000 
1 1 1 -5  0  29 o 600.249  25.877  3194.14    270.066 3194.14    270.066 3194.14    270.066 600.249 25.877  600.249 25.877  0.000000       0.000000 
1 1 1 -5  0  30 o 766.821  31.608  5233.10    421.578 5233.10    421.578 5233.10    421.578 766.821 31.608  766.821 31.608  0.000000       0.000000 
1 1 1 -5  0  31 o 571.955  24.894  2896.55    247.537 2896.55    247.537 2896.55    247.537 571.955 24.894  571.955 24.894  0.000000       0.000000 
1 1 1 -5  0  32 o 457.108  30.562  1870.46    241.430 1870.46    241.430 1870.46    241.430 457.108 30.562  457.108 30.562  0.000000       0.000000 
1 1 1 -5  0  33 o 372.517  26.995  1240.97    173.465 1240.97    173.465 1240.97    173.465 372.517 26.995  372.517 26.995  0.000000       0.000000 
1 1 1 -5  0  34 o ?        ?       -20.2253   2.0937  -20.2253   2.0937  -20.2253   2.0937  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 -5  0  35 o 747.359  44.528  5034.01    576.341 5034.01    576.341 5034.01    576.341 747.359 44.528  747.359 44.528  0.000000       0.000000 
1 1 1 -5  0  36 o 82.382   15.224  65.095     19.698  65.095     19.698  65.095     19.698  82.382  15.224  82.382  15.224  0.000000       0.000000 
1 1 1 -5  0  37 o 117.932  14.067  126.759    27.878  126.759    27.878  126.759    27.878  117.932 14.067  117.932 14.067  0.000000       0.000000 
1 1 1 -5  0  38 o 46.444   17.267  25.335     13.019  25.335     13.019  25.335     13.019  46.444  17.267  46.444  17.267  0.000000       0.000000 
1 1 1 -5  0  39 o 454.614  21.208  1824.99    167.514 1824.99    167.514 1824.99    167.514 454.614 21.208  454.614 21.208  0.000000       0.000000 
1 1 1 -5  0  40 o 1061.47  42.350  10082.19   782.089 10082.19   782.089 10082.19   782.089 1061.47 42.350  1061.47 42.350  0.000000       0.000000 
1 1 1 -5  0  41 o 261.484  16.010  605.382    72.469  605.382    72.469  605.382    72.469  261.484 16.010  261.484 16.010  0.000000       0.000000 
1 1 1 -5  0  42 o 657.943  27.558  3833.83    315.324 3833.83    315.324 3833.83    315.324 657.943 27.558  657.943 27.558  0.000000       0.000000 
1 1 1 -5  0  43 o 922.154  36.998  7587.58    593.548 7587.58    593.548 7587.58    593.548 922.154 36.998  922.154 36.998  0.000000       0.000000 
1 1 1 -5  0  44 o 522.495  23.046  2413.88    209.320 2413.88    209.320 2413.88    209.320 522.495 23.046  522.495 23.046  0.000000       0.000000 
1 1 1 -5  0  45 o 231.662  22.443  484.732    88.827  484.732    88.827  484.732    88.827  231.662 22.443  231.662 22.443  0.000000       0.000000 
1 1 1 -5  0  46 o 327.870  25.411  963.928    143.464 963.928    143.464 963.928    143.464 327.870 25.411  327.870 25.411  0.000000       0.000000 
1 1 1 -5  0  47 o 201.770  21.870  370.260    74.754  370.260    74.754  370.260    74.754  201.770 21.870  201.770 21.870  0.000000       0.000000 
1 1 1 -5  0  48 o 383.128  19.179  1298.78    127.571 1298.78    127.571 1298.78    127.571 383.128 19.179  383.128 19.179  0.000000       0.000000 
1 1 1 -5  0  49 o 614.175  38.213  3414.54    406.160 3414.54    406.160 3414.54    406.160 614.175 38.213  614.175 38.213  0.000000       0.000000 
1 1 1 -5  0  50 o 31.993   18.887  10.132     18.083  10.132     18.083  10.132     18.083  31.993  18.887  31.993  18.887  0.000000       0.000000 
1 1 1 -5  0  51 o 929.697  37.013  7792.98    598.679 7792.98    598.679 7792.98    598.679 929.697 37.013  929.697 37.013  0.000000       0.000000 
1 1 1 -5  0  52 f 383.290  19.201  1302.70    127.766 1302.70    127.766 1302.70    127.766 383.290 19.201  383.290 19.201  0.000000       0.000000 
1 1 1 -5  0  53 o 189.575  16.052  322.383    52.259  322.383    52.259  322.383    52.259  189.575 16.052  189.575 16.052  0.000000       0.000000 
1 1 1 -5  0  54 o 399.426  19.822  1417.90    137.465 1417.90    137.465 1417.90    137.465 399.426 19.822  399.426 19.822  0.000000       0.000000 
1 1 1 -5  0  55 o 185.738  16.097  310.223    51.301  310.223    51.301  310.223    51.301  185.738 16.097  185.738 16.097  0.000000       0.000000 
1 1 1 -5  0  56 o 401.266  19.973  1435.25    139.150 1435.25    139.150 1435.25    139.150 401.266 19.973  401.266 19.973  0.000000       0.000000 
1 1 1 -5  0  57 o 31.437   20.548  -2.8803    27.774  -2.8803    27.774  -2.8803    27.774  31.437  20.548  31.437  20.548  0.000000       0.000000 
1 1 1 -5  0  58 o 59.806   29.139  47.584     35.813  47.584     35.813  47.584     35.813  59.806  29.139  59.806  29.139  0.000000       0.000000 
1 1 1 -5  0  59 o 77.626   29.184  73.001     36.980  73.001     36.980  73.001     36.980  77.626  29.184  77.626  29.184  0.000000       0.000000 
1 1 1 -5  0  60 o 258.364  16.640  599.472    74.355  599.472    74.355  599.472    74.355  258.364 16.640  258.364 16.640  0.000000       0.000000 
1 1 1 -5  0  61 o 49.808   24.021  32.987     24.252  32.987     24.252  32.987     24.252  49.808  24.021  49.808  24.021  0.000000       0.000000 
1 1 1 -5  0  62 o 57.448   24.985  42.747     25.961  42.747     25.961  42.747     25.961  57.448  24.985  57.448  24.985  0.000000       0.000000 
1 1 1 -5  0  63 o 121.943  17.679  140.975    35.339  140.975    35.339  140.975    35.339  121.943 17.679  121.943 17.679  0.000000       0.000000 
1 1 1 -5  0  64 o 60.451   24.813  46.610     25.871  46.610     25.871  46.610     25.871  60.451  24.813  60.451  24.813  0.000000       0.000000 
1 1 1 -5  0  65 o 154.466  15.991  220.867    42.069  220.867    42.069  220.867    42.069  154.466 15.991  154.466 15.991  0.000000       0.000000 
1 1 1 -5  0  66 o 80.088   24.375  72.928     29.764  72.928     29.764  72.928     29.764  80.088  24.375  80.088  24.375  0.000000       0.000000 
1 1 1 -5  0  67 o 78.178   24.235  70.326     28.969  70.326     28.969  70.326     28.969  78.178  24.235  78.178  24.235  0.000000       0.000000 
1 1 1 -5  0  68 o 111.895  30.689  144.361    51.843  144.361    51.843  144.361    51.843  111.895 30.689  111.895 30.689  0.000000       0.000000 
1 1 1 -5  0  69 o 48.766   27.647  34.299     36.391  34.299     36.391  34.299     36.391  48.766  27.647  48.766  27.647  0.000000       0.000000 
1 1 1 -5  0  70 o 28.398   19.271  -10.5024   28.696  -10.5024   28.696  -10.5024   28.696  28.398  19.271  28.398  19.271  0.000000       0.000000 
1 1 1 -5  0  71 o 57.147   24.769  45.217     25.517  45.217     25.517  45.217     25.517  57.147  24.769  57.147  24.769  0.000000       0.000000 
1 1 1 -5  0  72 o 29.436   18.783  4.9148     21.433  4.9148     21.433  4.9148     21.433  29.436  18.783  29.436  18.783  0.000000       0.000000 
1 1 1 -5  0  73 o 43.283   23.128  28.158     23.854  28.158     23.854  28.158     23.854  43.283  23.128  43.283  23.128  0.000000       0.000000 
1 1 1 -5  0  74 o 130.630  17.040  169.274    37.036  169.274    37.036  169.274    37.036  130.630 17.040  130.630 17.040  0.000000       0.000000 
1 1 1 -5  0  75 o 149.378  16.656  220.465    42.061  220.465    42.061  220.465    42.061  149.378 16.656  149.378 16.656  0.000000       0.000000 
1 1 1 -5  0  76 f 29.075   18.721  5.5215     21.886  5.5215     21.886  5.5215     21.886  29.075  18.721  29.075  18.721  0.000000       0.000000 
1 1 1 -5  1  1  o 220.569  12.108  426.659    46.453  438.751    80.560  420.636    56.858  222.702 20.964  218.739 14.977  3.962769       25.76442 
1 1 1 -5  1  2  o 741.473  24.626  4829.66    318.821 4935.21    552.243 4776.89    390.465 743.777 42.702  736.225 30.374  7.551453       52.40303 
1 1 1 -5  1  3  o 307.843  11.804  828.534    63.449  796.272    89.730  860.797    89.732  301.068 17.140  313.138 16.469  -12.07028      23.77019 
1 1 1 -5  1  4  o 639.212  19.003  3580.41    212.097 3574.42    299.950 3586.40    299.951 637.487 26.947  638.562 26.902  -1.074646      38.07721 
1 1 1 -5  1  5  o 795.589  22.554  5555.08    313.304 5413.69    443.075 5696.48    443.084 783.222 32.399  803.634 31.577  -20.41180      45.24118 
1 1 1 -5  1  6  o 1078.93  34.292  10287.80   646.033 10257.40   1118.99 10303.00   791.217 1062.23 60.582  1076.42 42.097  -14.19153      73.77244 
1 1 1 -5  1  7  o 513.676  18.556  2312.03    166.428 2218.84    288.277 2358.62    203.826 500.159 33.198  518.380 22.519  -18.22079      40.11510 
1 1 1 -5  1  8  o 476.488  15.015  1986.96    124.921 1907.07    176.658 2066.86    176.673 466.195 21.702  485.429 20.844  -19.23380      30.09075 
1 1 1 -5  1  9  o 719.305  20.764  4538.58    260.792 4770.84    368.822 4306.33    368.810 735.897 28.704  698.812 30.226  37.08508       41.68338 
1 1 1 -5  1  10 o 491.446  15.530  2114.33    133.267 2068.59    188.468 2160.06    188.469 485.407 22.237  496.081 21.758  -10.67453      31.11087 
1 1 1 -5  1  11 o 898.835  25.124  7105.55    394.308 7119.13    557.642 7091.96    557.630 896.368 35.629  894.631 35.698  1.737549       50.43571 
1 1 1 -5  1  12 o 638.811  21.822  3583.40    243.401 3583.40    243.401 0.0000     0.0000  638.811 21.822  ?       ?       0.000000       21.82167 
1 1 1 -5  1  13 o 882.338  35.619  6906.54    548.757 6906.54    548.757 0.0000     0.0000  882.338 35.619  ?       ?       0.000000       35.61904 
1 1 1 -5  1  14 o 499.823  22.441  2195.81    195.847 2195.81    195.847 0.0000     0.0000  499.823 22.441  ?       ?       0.000000       22.44077 
1 1 1 -5  1  15 o 459.083  14.625  1845.62    117.233 1531.12    234.454 1950.46    135.371 414.402 32.667  471.753 16.434  -57.35123      36.56788 
1 1 1 -5  1  16 o 256.793  10.835  576.726    48.581  618.871    97.182  562.686    56.092  264.513 21.220  253.565 12.669  10.94725       24.71445 
1 1 1 -5  1  17 o 219.191  11.908  421.640    45.403  422.672    78.652  421.124    55.603  218.287 20.891  218.765 14.641  -0.4778900     25.51047 
1 1 1 -5  1  18 f 239.090  12.304  501.668    51.192  546.621    88.688  479.208    62.689  248.485 20.628  233.302 15.477  15.18306       25.78819 
1 1 1 -5  1  19 o 474.481  17.634  1976.55    146.094 2020.10    178.920 1889.41    253.062 479.049 21.390  460.011 31.700  19.03860       38.24157 
1 1 1 -5  1  20 o 392.673  13.331  1350.78    91.405  1293.29    129.259 1408.27    129.272 383.016 19.391  400.310 18.495  -17.29440      26.79664 
1 1 1 -5  1  21 o 188.679  11.617  312.833    38.085  312.276    46.636  313.948    65.990  188.194 14.299  187.742 20.462  0.4523010      24.96298 
1 1 1 -5  1  22 o 665.503  27.970  3932.38    325.019 3913.82    459.609 3950.95    459.685 656.974 40.260  660.213 40.066  -3.238647      56.79919 
1 1 1 -5  1  23 o 221.212  15.012  431.362    57.640  440.546    81.476  422.161    81.555  222.514 21.228  217.678 21.748  4.835800       30.39102 
1 1 1 -5  1  24 o 801.415  32.770  5750.81    458.563 5604.62    648.466 5897.04    648.547 778.961 47.909  800.240 46.617  -21.27844      66.84636 
1 1 1 -5  1  25 o 623.567  26.542  3453.60    288.987 3409.39    408.652 3497.82    408.726 612.820 38.384  621.057 37.872  -8.236877      53.92265 
1 1 1 -5  1  26 o 323.435  14.084  917.823    79.537  915.231    97.416  923.006    137.752 322.103 17.385  321.798 24.705  0.3051758      30.20880 
1 1 1 -5  1  27 o 129.333  10.981  147.521    24.564  149.900    30.101  142.778    42.499  130.054 13.450  125.744 20.028  4.310768       24.12529 
1 1 1 -5  1  28 o 775.085  25.935  5331.44    350.996 5311.11    429.889 5372.09    607.919 770.368 31.959  763.857 45.791  6.511902       55.84082 
1 1 1 -5  1  29 o 92.880   10.758  76.523     17.124  90.346     20.994  49.049     29.598  100.829 12.171  73.878  21.588  26.95108       24.78274 
1 1 1 -5  1  30 o 250.933  12.746  553.134    55.663  525.958    68.182  607.440    96.384  244.222 16.079  261.614 21.284  -17.39189      26.67510 
1 1 1 -5  1  31 o 424.517  14.215  1580.04    105.364 1523.16    149.008 1636.92    149.007 415.852 20.521  431.233 19.789  -15.38187      28.50875 
1 1 1 -5  1  32 o 447.144  14.653  1752.87    114.401 1803.38    161.793 1702.37    161.781 452.639 20.471  439.674 21.073  12.96539       29.37960 
1 1 1 -5  1  33 o 638.232  21.997  3587.19    245.140 3592.25    300.222 3577.06    424.626 637.297 26.980  630.543 38.756  6.754272       47.22211 
1 1 1 -5  1  34 o 616.150  18.453  3333.36    198.531 3291.06    280.752 3375.68    280.778 610.429 26.341  618.317 26.007  -7.887756      37.01600 
1 1 1 -5  1  35 o 696.995  20.301  4269.52    247.066 4113.69    349.386 4425.39    349.421 681.698 29.353  707.399 28.289  -25.70068      40.76612 
1 1 1 -5  1  36 o 418.065  16.225  1532.18    118.438 1502.69    205.128 1546.92    145.061 411.255 28.747  419.651 19.797  -8.395142      34.90422 
1 1 1 -5  1  37 o 394.053  15.317  1360.54    105.388 1226.97    182.364 1427.52    129.134 371.553 28.323  403.321 18.337  -31.76749      33.74078 
1 1 1 -5  1  38 o 681.928  22.752  4092.00    270.903 4454.69    469.324 3910.77    331.749 705.504 38.242  665.154 28.564  40.35046       47.73202 
1 1 1 -5  1  39 o 708.479  23.857  4420.44    295.130 4482.50    511.250 4389.43    361.434 706.069 41.653  704.414 29.386  1.655396       50.97586 
1 1 1 -5  1  40 o 337.901  12.165  999.105    71.774  1059.08    101.534 939.201    101.475 347.540 16.732  326.702 17.856  20.83752       24.47044 
1 1 1 -5  1  41 o 269.952  12.893  637.891    60.771  730.841    105.220 591.364    74.443  287.562 21.103  259.182 16.536  28.38028       26.81008 
1 1 1 -5  1  42 o 489.931  17.899  2106.45    153.118 2150.97    265.184 2084.18    187.540 491.605 31.053  486.681 22.069  4.924072       38.09649 
1 1 1 -5  1  43 o 280.049  13.159  686.663    64.347  702.777    111.385 678.591    78.833  281.603 22.850  277.710 16.329  3.893555       28.08522 
1 1 1 -5  1  44 o 212.390  12.275  396.141    45.329  445.723    78.591  371.425    55.489  224.270 20.289  205.251 15.600  19.01817       25.59329 
1 1 1 -5  1  45 o 901.042  29.190  7194.23    459.247 7643.27    562.494 6296.47    795.343 925.864 34.794  825.609 55.494  100.2548       65.49999 
1 1 1 -5  1  46 o 209.841  10.042  385.133    36.793  410.965    52.112  359.456    51.956  216.143 13.882  201.968 14.837  14.17424       20.31809 
1 1 1 -5  1  47 o 160.365  9.7811  225.759    27.257  231.016    38.764  220.617    38.334  161.787 13.856  158.054 14.037  3.733231       19.72319 
1 1 1 -5  1  48 o 404.126  15.824  1432.92    111.662 1474.12    136.960 1351.24    192.834 409.423 19.158  389.275 28.570  20.14844       34.39883 
1 1 1 -5  1  49 o 516.286  18.417  2343.61    166.026 2485.71    203.468 2060.47    287.206 530.923 21.948  478.702 34.594  52.22095       40.96900 
1 1 1 -5  1  50 o 437.644  16.695  1682.47    127.577 1748.77    156.384 1550.56    220.589 445.569 20.101  416.094 30.576  29.47510       36.59165 
1 1 1 -5  1  51 o 728.177  23.883  4691.50    303.665 4336.40    371.660 5404.59    526.677 697.148 30.532  772.046 39.198  -74.89795      49.68614 
1 1 1 -5  1  52 o 282.275  11.715  698.041    57.739  540.270    80.805  862.632    82.532  246.952 18.883  313.438 15.080  -66.48615      24.16551 
1 1 1 -5  1  53 o 109.005  14.853  106.251    27.534  87.428     33.179  147.886    49.346  97.785  20.104  127.349 23.040  -29.56352      30.57782 
1 1 1 -5  1  54 o 216.737  15.766  415.278    59.257  399.837    83.201  431.174    84.417  211.176 22.933  219.527 22.334  -8.350601      32.01154 
1 1 1 -5  1  55 o 443.710  17.075  1735.20    132.288 1766.68    161.980 1672.17    229.240 446.706 20.767  430.063 30.730  16.64258       37.08931 
1 1 1 -5  1  56 o 185.038  12.607  302.012    40.489  281.549    49.458  343.596    70.503  178.042 16.083  195.771 20.950  -17.72838      26.41169 
1 1 1 -5  1  57 o 424.367  14.270  1585.27    105.734 1559.75    149.345 1610.91    149.719 419.140 20.406  426.056 20.125  -6.915527      28.66109 
1 1 1 -5  1  58 o 364.896  13.116  1171.61    83.569  1169.19    118.240 1174.02    118.131 362.585 18.740  363.356 18.683  -0.7709351     26.46209 
1 1 1 -5  1  59 f 27.559   12.887  -15.1595   15.421  -25.3677   18.299  9.8588     28.647  27.763  13.288  50.852  20.647  -23.08889      24.55351 
1 1 1 -5  1  60 o 432.474  20.845  1674.08    157.406 1670.15    222.708 1678.01    222.504 425.372 30.181  426.457 30.074  -1.084900      42.60672 
1 1 1 -5  1  61 f 112.139  13.900  112.799    26.634  140.497    47.374  99.999     32.205  122.968 22.907  104.449 18.327  18.51872       29.33627 
1 1 1 -5  1  62 o 230.110  12.995  469.402    51.997  443.441    90.551  482.174    63.512  219.671 23.999  232.413 15.744  -12.74290      28.70169 
1 1 1 -5  1  63 o 308.606  12.102  841.413    65.212  925.971    92.307  757.159    92.141  321.725 16.487  290.028 18.289  31.69614       24.62319 
1 1 1 -5  1  64 o 20.508   10.098  -27.0384   12.782  12.235     25.917  -39.6621   14.694  49.685  19.825  20.194  10.091  29.49072       22.24489 
1 1 1 -5  1  65 o 194.223  12.574  335.955    42.412  410.043    73.323  298.705    51.992  211.585 20.088  181.762 16.564  29.82265       26.03626 
1 1 1 -5  1  66 o 226.431  12.945  457.493    50.968  536.173    88.669  418.668    62.287  240.921 21.298  215.025 16.721  25.89568       27.07756 
1 1 1 -5  1  67 f 99.527   14.590  90.497     24.602  101.614    42.139  84.748     30.302  102.394 23.989  94.910  18.949  7.484161       30.57007 
1 1 1 -5  1  68 o 161.712  11.143  233.268    31.270  235.100    44.417  231.467    44.031  160.546 16.060  159.295 16.049  1.251755       22.70473 
1 1 1 -5  1  69 o 61.546   15.708  35.590     16.937  22.647     25.137  46.351     22.920  54.274  20.053  69.816  18.504  -15.54152      27.28616 
1 1 1 -5  1  70 o 37.993   14.898  8.2001     14.402  -2.1546    19.869  19.665     20.907  37.329  16.259  50.171  18.328  -12.84211      24.50028 
1 1 1 -5  1  71 o 116.558  13.817  124.209    27.572  135.134    33.697  102.076    47.962  120.567 16.435  99.961  26.891  20.60614       31.51575 
1 1 1 -5  1  72 o 49.371   17.853  19.684     19.765  14.747     23.869  30.454     35.256  48.701  19.153  62.148  23.583  -13.44730      30.38083 
1 1 1 -5  1  73 o 102.716  15.172  98.325     26.391  92.773     31.908  110.349    46.956  97.887  19.354  103.399 26.027  -5.511963      32.43433 
1 1 1 -5  1  74 o 170.798  11.389  263.318    33.771  214.634    46.728  316.548    48.861  150.365 18.166  185.003 15.262  -34.63811      23.72638 
1 1 1 -5  1  75 o 85.549   17.030  70.482     24.544  65.449     29.394  82.073     44.606  80.859  20.724  87.987  26.700  -7.127144      33.79888 
1 1 1 -5  2  1  o 126.649  10.881  141.260    23.829  143.336    41.327  140.226    29.165  126.423 19.336  125.887 13.478  0.5360336      23.56996 
1 1 1 -5  2  2  o 526.937  18.888  2434.16    173.780 2393.25    301.027 2454.60    212.825 519.187 33.383  528.610 23.058  -9.423157      40.57235 
1 1 1 -5  2  3  o 327.334  11.631  936.914    66.478  959.108    94.016  914.720    94.013  330.940 16.270  322.733 16.741  8.207001       23.34454 
1 1 1 -5  2  4  o 154.519  8.7175  209.296    23.424  151.424    33.107  267.301    33.146  130.706 14.765  174.515 10.933  -43.80928      18.37234 
1 1 1 -5  2  5  o 733.664  20.976  4723.62    268.705 4655.21    380.002 4792.03    380.011 726.383 29.961  737.092 29.526  -10.70905      42.06517 
1 1 1 -5  2  6  o 345.552  13.835  1044.84    83.472  966.723    102.205 1201.33    144.657 331.675 17.712  369.155 22.550  -37.47940      28.67474 
1 1 1 -5  2  7  o 681.840  22.972  4084.80    273.487 4119.97    334.932 4014.43    473.752 683.700 28.056  670.248 40.673  13.45227       49.41130 
1 1 1 -5  2  8  o 404.144  15.103  1429.99    106.576 1317.11    130.498 1656.07    184.681 387.520 19.286  433.243 24.514  -45.72314      31.19115 
1 1 1 -5  2  9  o 221.528  11.873  430.435    45.758  432.176    56.025  426.947    79.301  221.719 14.552  219.547 20.941  2.172073       25.50059 
1 1 1 -5  2  10 o 541.312  22.685  2575.44    214.411 2795.46    303.334 2355.75    303.112 561.491 31.060  514.514 33.930  46.97699       46.00021 
1 1 1 -5  2  11 o 610.344  20.905  3271.56    222.789 3307.39    272.897 3199.96    385.779 612.794 25.505  598.763 37.082  14.03082       45.00626 
1 1 1 -5  2  12 o 171.691  10.865  258.815    32.402  303.043    39.718  170.812    56.027  185.702 12.319  137.314 24.255  48.38783       27.20398 
1 1 1 -5  2  13 o 453.879  16.626  1806.01    131.766 1891.21    161.413 1635.82    228.129 464.042 19.921  428.782 30.673  35.25937       36.57466 
1 1 1 -5  2  14 o 329.870  13.612  952.760    78.404  1013.17    135.830 922.573    96.015  338.471 23.122  323.893 17.037  14.57874       28.72075 
1 1 1 -5  2  15 o 462.605  14.137  1874.54    114.193 2088.41    228.455 1803.31    131.845 485.415 27.062  453.440 16.653  31.97510       31.77497 
1 1 1 -5  2  16 o 241.932  10.315  511.948    43.575  576.729    87.221  490.401    50.302  255.412 19.710  236.383 12.229  19.02838       23.19562 
1 1 1 -5  2  17 o 434.768  13.794  1656.01    104.713 1676.91    209.474 1649.05    120.903 434.353 27.765  433.596 15.969  0.7563477      32.03020 
1 1 1 -5  2  18 o 181.206  14.035  289.470    44.059  303.068    62.373  275.928    62.246  184.607 19.652  175.875 20.663  8.731400       28.51640 
1 1 1 -5  2  19 o 495.016  17.870  2153.38    154.453 2114.77    189.179 2230.58    267.482 489.705 22.125  499.707 30.806  -10.00204      37.92786 
1 1 1 -5  2  20 o 731.018  23.950  4723.68    305.706 4584.90    374.424 5001.18    529.464 717.741 29.877  742.388 41.004  -24.64673      50.73435 
1 1 1 -5  2  21 o 976.680  31.404  8514.75    535.542 8412.50    655.916 8719.25    927.547 965.137 38.922  965.131 55.271  0.6469727E-02  67.60038 
1 1 1 -5  2  22 o 703.497  23.200  4376.01    284.978 4194.78    349.036 4738.41    493.563 686.281 29.128  722.640 39.264  -36.35925      48.88825 
1 1 1 -5  2  23 o 600.779  20.764  3184.63    217.817 3157.56    266.785 3238.75    377.228 596.585 25.611  598.446 36.272  -1.861145      44.40250 
1 1 1 -5  2  24 o 170.083  11.427  254.520    33.737  236.731    41.335  290.016    58.389  163.585 14.626  180.505 18.802  -16.92010      23.82077 
1 1 1 -5  2  25 o 436.127  14.381  1669.35    109.513 1539.04    154.866 1799.71    154.885 416.914 21.345  451.809 19.633  -34.89478      29.00155 
1 1 1 -5  2  26 f 593.369  17.932  3098.95    185.793 3024.70    262.746 3173.21    262.754 583.701 25.780  598.095 25.160  -14.39380      36.02298 
1 1 1 -5  2  27 o 143.946  10.837  182.443    27.037  167.235    33.077  213.063    46.934  137.370 13.985  154.636 17.701  -17.26576      22.55925 
1 1 1 -5  2  28 o 698.138  29.123  4340.35    355.013 4304.42    501.992 4376.29    502.136 686.844 42.060  692.826 41.703  -5.982056      59.22992 
1 1 1 -5  2  29 o 444.179  20.533  1738.83    159.248 1677.26    225.126 1800.51    225.296 432.980 29.962  449.049 28.887  -16.06924      41.61992 
1 1 1 -5  2  30 o 389.108  18.824  1331.83    127.890 1259.68    180.771 1404.13    180.957 375.800 27.745  397.302 26.233  -21.50143      38.18340 
1 1 1 -5  2  31 o 429.685  16.445  1620.54    123.384 1673.70    151.137 1514.31    213.643 436.145 19.846  411.804 29.917  24.34070       35.90086 
1 1 1 -5  2  32 o 834.178  27.389  6158.27    398.933 6027.50    488.587 6419.81    690.985 822.259 34.031  839.346 47.341  -17.08679      58.30351 
1 1 1 -5  2  33 o 464.590  17.164  1893.89    139.240 1822.24    170.527 2037.23    241.189 455.075 21.461  478.797 28.986  -23.72156      36.06635 
1 1 1 -5  2  34 o 462.111  15.036  1871.29    121.320 1993.34    171.585 1749.28    171.558 476.162 20.638  445.843 22.038  30.31915       30.19232 
1 1 1 -5  2  35 o 757.489  21.764  5047.34    287.862 5302.73    407.113 4791.97    407.084 773.755 30.133  734.979 31.721  38.77612       43.75209 
1 1 1 -5  2  36 o 557.484  24.361  2738.62    237.129 2892.12    335.319 2585.07    335.384 569.491 33.874  537.590 35.937  31.90149       49.38545 
1 1 1 -5  2  37 o 714.742  24.103  4500.26    300.800 4706.01    520.974 4397.36    368.413 723.520 41.410  704.814 29.936  18.70557       51.09802 
1 1 1 -5  2  38 o 260.349  12.502  593.199    56.833  648.368    98.549  565.708    69.566  270.789 21.007  253.576 15.790  17.21274       26.27993 
1 1 1 -5  2  39 o 176.911  11.701  275.020    35.940  273.054    62.565  275.987    43.908  175.035 20.883  176.937 14.335  -1.901764      25.33024 
1 1 1 -5  2  40 o 88.364   11.474  69.453     17.285  66.019     31.605  70.919     20.647  85.004  21.329  88.964  13.734  -3.960442      25.36828 
1 1 1 -5  2  41 o 243.426  12.643  520.070    53.554  522.705    93.336  518.776    65.388  242.708 22.273  242.801 15.505  -0.9286499E-01 27.13790 
1 1 1 -5  2  42 o 62.405   12.431  35.292     13.069  45.632     25.458  31.591     15.229  71.045  19.788  58.906  14.820  12.13949       24.72246 
1 1 1 -5  2  43 o 672.753  19.543  3977.25    229.570 4300.29    324.740 3654.53    324.581 697.587 26.661  642.391 28.938  55.19568       39.34695 
1 1 1 -5  2  44 o 421.875  14.077  1559.27    103.697 1602.65    146.796 1516.07    146.503 426.990 19.689  415.221 20.207  11.76926       28.21354 
1 1 1 -5  2  45 o 74.920   10.554  50.067     13.424  58.691     20.167  43.206     17.987  80.563  14.885  68.856  15.353  11.70699       21.38374 
1 1 1 -5  2  46 o 445.603  14.299  1740.27    111.256 1918.85    157.502 1562.42    157.179 467.163 19.309  420.665 21.471  46.49872       28.87584 
1 1 1 -5  2  47 o 348.951  12.719  1066.49    77.495  996.286    109.517 1136.89    109.673 336.130 18.734  359.776 17.458  -23.64557      25.60816 
1 1 1 -5  2  48 o 451.494  14.368  1787.32    113.273 1717.72    160.102 1857.08    160.282 441.585 20.764  459.301 19.986  -17.71539      28.82012 
1 1 1 -5  2  49 o 130.281  12.363  150.007    27.787  153.406    33.805  142.926    48.789  131.391 15.004  125.285 23.156  6.106056       27.59174 
1 1 1 -5  2  50 o 282.410  13.625  699.317    67.185  711.970    82.288  674.017    116.358 284.172 16.657  274.888 24.499  9.283295       29.62556 
1 1 1 -5  2  51 o 300.666  24.869  806.620    129.386 806.620    129.386 0.0000     0.0000  300.666 24.869  ?       ?       0.000000       24.86895 
1 1 1 -5  2  52 o 711.276  27.437  4506.15    340.750 4506.15    340.750 0.0000     0.0000  711.276 27.437  ?       ?       0.000000       27.43692 
1 1 1 -5  2  53 o 241.174  12.975  511.751    54.437  472.074    66.198  594.624    95.671  231.042 16.518  258.409 21.396  -27.36732      27.03050 
1 1 1 -5  2  54 o 712.155  23.737  4507.34    295.166 4289.44    361.388 4943.97    511.571 691.126 29.947  733.005 40.122  -41.87830      50.06633 
1 1 1 -5  2  55 o 408.554  13.894  1467.12    99.116  1344.70    139.844 1590.70    140.500 389.030 20.661  424.180 18.970  -35.14984      28.04894 
1 1 1 -5  2  56 o 106.191  11.321  100.050    20.667  81.558     27.952  122.352    30.697  94.616  17.566  116.855 15.422  -22.23914      23.37485 
1 1 1 -5  2  57 o 315.576  12.022  874.984    66.244  835.615    93.290  915.023    94.081  306.835 17.485  321.318 16.827  -14.48288      24.26720 
1 1 1 -5  2  58 o 158.743  10.654  222.219    29.361  225.353    40.486  218.744    42.641  159.148 14.737  156.552 15.816  2.596344       21.61785 
1 1 1 -5  2  59 o 246.436  11.263  533.958    48.463  525.941    67.547  542.464    69.571  243.209 15.995  246.952 16.225  -3.742676      22.78357 
1 1 1 -5  2  60 o 99.258   11.559  87.878     19.658  56.491     25.532  133.574    30.807  78.045  18.930  122.009 14.761  -43.96421      24.00491 
1 1 1 -5  2  61 o 203.681  12.906  367.842    45.663  367.448    77.653  368.050    56.455  200.468 22.578  202.889 16.067  -2.421616      27.71113 
1 1 1 -5  2  62 o 142.323  16.949  183.185    41.291  0.0000     0.0000  183.185    41.291  ?       ?       142.323 16.949  0.000000       16.94894 
1 1 1 -5  2  63 o 246.791  16.713  547.044    71.595  0.0000     0.0000  547.044    71.595  ?       ?       246.791 16.713  0.000000       16.71314 
1 1 1 -5  2  64 o 105.393  19.465  103.411    34.500  0.0000     0.0000  103.411    34.500  ?       ?       105.393 19.465  0.000000       19.46458 
1 1 1 -5  2  65 f 319.720  14.605  913.117    81.531  856.064    140.760 941.922    100.016 300.423 27.126  322.499 17.831  -22.07550      32.46202 
1 1 1 -5  2  66 o 157.644  11.347  221.416    31.026  228.810    42.881  213.293    44.945  158.855 15.664  152.765 17.146  6.090012       23.22348 
1 1 1 -5  2  67 o 53.267   16.791  25.543     17.445  29.702     23.680  20.608     25.796  58.288  19.642  53.640  20.216  4.648090       28.18665 
1 1 1 -5  2  68 o 196.964  11.309  346.121    38.729  377.912    54.068  312.623    55.501  204.070 15.285  184.447 17.440  19.62386       23.19044 
1 1 1 -5  2  69 o 83.107   14.545  63.978     20.337  49.020     27.003  83.583     30.915  71.538  20.539  93.485  19.567  -21.94708      28.36755 
1 1 1 -5  2  70 o 172.987  11.432  268.312    34.337  268.541    47.755  268.068    49.407  170.839 16.203  170.349 16.831  0.4900970      23.36252 
1 1 1 -5  2  71 o 109.611  12.893  109.526    24.205  115.995    33.800  102.717    34.678  110.701 18.113  103.209 19.965  7.492081       26.95710 
1 1 1 -5  2  72 f 69.995   18.291  47.346     22.603  46.613     26.429  49.345     43.613  69.292  20.443  73.139  26.509  -3.846497      33.47593 
1 1 1 -5  2  73 o 173.059  16.137  278.535    48.198  278.535    48.198  0.0000     0.0000  173.059 16.137  ?       ?       0.000000       16.13659 
1 1 1 -5  2  74 o 63.064   20.565  38.021     26.011  38.021     26.011  0.0000     0.0000  63.064  20.565  ?       ?       0.000000       20.56492 
1 1 1 -5  2  75 o 32.821   15.022  -10.9576   19.354  -10.9576   19.354  0.0000     0.0000  32.821  15.022  ?       ?       0.000000       15.02197 
1 1 1 -5  3  1  o 537.529  33.908  2575.56    316.620 0.0000     0.0000  2575.56    316.620 ?       ?       537.529 33.908  0.000000       33.90823 
1 1 1 -5  3  2  o 470.085  21.459  1942.50    176.137 1943.12    249.017 1941.88    249.174 467.539 30.673  467.379 30.704  0.1596680      43.40039 
1 1 1 -5  3  3  o 366.983  18.017  1181.49    115.447 1103.64    163.171 1259.52    163.363 352.696 26.694  377.273 24.940  -24.57672      36.53147 
1 1 1 -5  3  4  o 646.848  26.774  3692.30    302.402 3557.43    427.550 3827.32    427.773 630.019 39.059  654.171 37.609  -24.15143      54.22181 
1 1 1 -5  3  5  o 582.164  24.741  2986.43    251.493 0.0000     0.0000  2986.43    251.493 ?       ?       582.164 24.741  0.000000       24.74102 
1 1 1 -5  3  6  o 384.821  18.079  1299.41    121.477 0.0000     0.0000  1299.41    121.477 ?       ?       384.821 18.079  0.000000       18.07892 
1 1 1 -5  3  7  o 99.160   11.701  87.219     19.869  0.0000     0.0000  87.219     19.869  ?       ?       99.160  11.701  0.000000       11.70098 
1 1 1 -5  3  8  o 261.244  12.696  597.386    57.911  547.055    100.231 622.606    70.952  248.154 23.409  266.106 15.335  -17.95198      27.98478 
1 1 1 -5  3  9  o 525.246  23.195  2430.06    212.730 2376.13    300.845 2483.99    300.847 515.862 33.583  527.750 32.810  -11.88885      46.95030 
1 1 1 -5  3  10 o 495.948  22.111  2165.32    191.477 2165.32    191.477 0.0000     0.0000  495.948 22.111  ?       ?       0.000000       22.11146 
1 1 1 -5  3  11 o 295.964  16.247  770.593    83.638  770.593    83.638  0.0000     0.0000  295.964 16.247  ?       ?       0.000000       16.24674 
1 1 1 -5  3  12 o 360.407  15.570  1139.05    97.984  1139.05    97.984  0.0000     0.0000  360.407 15.570  ?       ?       0.000000       15.57043 
1 1 1 -5  3  13 o 427.813  16.706  1606.30    124.790 1606.30    124.790 0.0000     0.0000  427.813 16.706  ?       ?       0.000000       16.70564 
1 1 1 -5  3  14 o 186.513  11.342  305.593    36.763  305.593    36.763  0.0000     0.0000  186.513 11.342  ?       ?       0.000000       11.34238 
1 1 1 -5  3  15 o 315.583  16.934  877.120    92.971  790.987    131.436 963.372    131.525 297.950 25.510  329.607 22.997  -31.65698      34.34616 
1 1 1 -5  3  16 o 270.080  16.040  642.592    75.302  677.345    106.494 607.840    106.492 276.192 22.272  261.264 23.599  14.92786       32.44901 
1 1 1 -5  3  17 o 292.308  16.572  752.957    84.236  796.323    119.131 709.595    119.125 299.385 22.964  282.185 24.418  17.20050       33.52011 
1 1 1 -5  3  18 o 621.544  21.374  3408.82    231.967 3398.30    401.834 3414.08    284.081 612.704 37.744  620.364 26.226  -7.659790      45.96135 
1 1 1 -5  3  19 f 1180.28  40.074  12637.47   825.866 11517.69   1430.48 13197.31   1011.46 1072.33 76.910  1195.80 48.443  -123.4680      90.89487 
1 1 1 -5  3  20 o 375.700  15.669  1239.92    102.791 1152.29    178.090 1283.70    125.876 358.524 28.689  381.745 18.885  -23.22116      34.34636 
1 1 1 -5  3  21 o 253.935  12.854  566.795    56.807  551.303    98.449  574.528    69.554  248.592 22.940  255.247 15.682  -6.654846      27.78778 
1 1 1 -5  3  22 o 339.735  14.502  1013.23    86.026  976.536    149.061 1031.55    105.339 330.543 26.038  341.885 17.707  -11.34192      31.48801 
1 1 1 -5  3  23 o 406.806  13.642  1451.89    96.899  1388.53    137.031 1515.26    137.042 396.763 19.780  414.652 18.928  -17.88983      27.37732 
1 1 1 -5  3  24 o 183.209  9.8621  294.631    31.433  303.502    44.444  285.754    44.461  185.482 13.822  179.883 14.273  5.599182       19.86863 
1 1 1 -5  3  25 o 818.447  23.268  5928.51    332.513 5930.33    470.243 5926.68    470.245 812.930 33.129  812.672 33.140  0.2574463      46.85884 
1 1 1 -5  3  26 o 411.849  13.910  1487.79    100.030 1440.59    141.459 1535.00    141.468 404.250 20.041  417.410 19.410  -13.16031      27.89986 
1 1 1 -5  3  27 o 495.028  15.655  2151.60    135.316 2160.33    191.393 2142.87    191.340 494.627 22.161  492.603 22.246  2.023926       31.40022 
1 1 1 -5  3  28 o 326.267  12.194  932.398    69.467  952.856    98.281  911.973    98.202  328.858 17.175  321.641 17.552  7.217010       24.55759 
1 1 1 -5  3  29 o 423.116  13.684  1569.01    101.094 1591.97    143.003 1546.07    142.934 425.399 19.252  419.176 19.529  6.223633       27.42326 
1 1 1 -5  3  30 o 490.268  18.202  2111.71    155.818 2161.48    269.826 2086.81    190.859 491.965 31.578  486.570 22.465  5.395142       38.75367 
1 1 1 -5  3  31 o 555.164  24.624  2719.98    238.698 2978.76    337.510 2461.00    337.631 577.383 33.624  523.269 37.196  54.11401       50.14047 
1 1 1 -5  3  32 o 300.792  16.800  796.154    87.884  797.604    124.297 794.704    124.277 299.859 23.940  299.302 23.982  0.5570679      33.88550 
1 1 1 -5  3  33 o 270.341  15.939  642.944    74.905  714.356    105.989 571.687    105.874 284.164 21.521  253.544 24.209  30.61974       32.39199 
1 1 1 -5  3  34 o 495.871  22.337  2164.12    193.396 2204.19    273.449 2124.01    273.557 497.474 31.645  488.111 32.279  9.363647       45.20372 
1 1 1 -5  3  35 o 404.037  15.787  1430.91    111.371 1691.59    192.962 1300.69    136.379 437.209 25.386  384.170 20.404  53.03873       32.56968 
1 1 1 -5  3  36 o 252.646  12.591  558.673    55.543  580.347    68.156  515.817    95.839  256.900 15.263  240.975 23.059  15.92538       27.65283 
1 1 1 -5  3  37 o 538.523  19.353  2547.10    181.979 2545.89    222.922 2549.52    315.073 537.582 23.749  534.457 33.938  3.124695       41.42270 
1 1 1 -5  3  38 o 451.919  21.423  1796.32    169.046 1654.13    239.281 1938.01    238.854 430.564 32.057  466.984 29.444  -36.41986      43.52731 
1 1 1 -5  3  39 o 473.396  15.288  1964.08    126.372 1993.58    178.763 1934.61    178.672 476.040 21.507  468.894 21.823  7.145844       30.63963 
1 1 1 -5  3  40 o 300.120  13.517  788.795    70.835  870.318    86.826  626.541    122.491 314.672 15.854  264.971 26.846  49.70026       31.17757 
1 1 1 -5  3  41 o 647.217  19.138  3680.22    216.273 3878.64    305.900 3481.91    305.813 662.542 26.443  627.314 27.920  35.22852       38.45396 
1 1 1 -5  3  42 o 481.974  15.179  2036.34    127.743 2266.83    180.731 1806.24    180.582 507.689 20.388  452.179 22.947  55.50998       30.69583 
1 1 1 -5  3  43 o 474.597  17.181  1977.08    142.380 1976.65    246.783 1977.29    174.318 471.002 30.166  473.982 21.063  -2.980499      36.79171 
1 1 1 -5  3  44 o 147.351  11.433  191.162    29.186  161.959    51.376  205.078    35.465  133.729 22.822  152.415 13.465  -18.68585      26.49766 
1 1 1 -5  3  45 o 473.316  21.660  1973.91    179.005 1971.03    253.463 1976.77    252.842 469.737 31.078  470.466 30.952  -0.7292175     43.86222 
1 1 1 -5  3  46 o 328.034  14.073  943.264    80.606  1013.80    98.880  803.523    139.171 339.802 16.666  300.020 26.850  39.78253       31.60202 
1 1 1 -5  3  47 o 610.349  20.701  3282.33    220.616 3516.64    270.321 2814.96    381.775 630.587 24.551  557.286 39.490  73.30078       46.49975 
1 1 1 -5  3  48 o 461.995  21.504  1883.00    173.464 1883.00    173.464 0.0000     0.0000  461.995 21.504  ?       ?       0.000000       21.50353 
1 1 1 -5  3  49 o 243.128  10.966  517.562    46.553  493.631    65.691  541.707    65.983  236.524 16.000  247.929 15.317  -11.40485      22.14991 
1 1 1 -5  3  50 o 370.532  13.027  1203.86    84.279  1123.65    119.075 1284.38    119.301 356.566 19.196  381.987 17.887  -25.42099      26.23819 
1 1 1 -5  3  51 o 254.200  11.237  566.107    49.875  630.859    70.297  500.475    70.772  267.551 15.109  237.859 17.156  29.69164       22.86059 
1 1 1 -5  3  52 o 416.083  13.985  1520.30    101.605 1401.68    143.279 1640.29    144.105 397.625 20.709  431.095 19.145  -33.47079      28.20216 
1 1 1 -5  3  53 o 443.667  14.331  1730.04    111.015 1607.18    156.476 1854.56    157.527 425.983 21.037  457.997 19.698  -32.01422      28.82016 
1 1 1 -5  3  54 o 180.159  12.481  286.292    39.020  285.209    46.975  288.702    70.079  179.384 15.139  178.776 22.982  0.6081238      27.52037 
1 1 1 -5  3  55 o 196.352  12.375  339.975    42.210  330.653    50.943  360.392    75.393  193.131 15.230  200.126 21.935  -6.994827      26.70414 
1 1 1 -5  3  56 o 114.895  13.243  117.658    26.081  104.665    31.485  146.070    46.558  107.455 17.374  126.291 21.908  -18.83589      27.96079 
1 1 1 -5  3  57 o 543.139  23.851  2649.53    226.194 0.0000     0.0000  2649.53    226.194 ?       ?       543.139 23.851  0.000000       23.85102 
1 1 1 -5  3  58 o 198.786  12.311  349.249    42.520  334.193    72.306  357.208    52.570  191.895 21.976  200.430 15.133  -8.535034      26.68243 
1 1 1 -5  3  59 o ?        ?       -40.7384   4.2554  -42.4005   5.4646  -38.1776   6.7830  ?       ?       ?       ?       0.000000       ?        
1 1 1 -5  3  60 o 458.617  16.721  1872.79    133.895 1687.73    230.988 1966.44    164.317 424.115 31.415  467.909 20.112  -43.79428      37.30187 
1 1 1 -5  3  61 o 237.809  15.872  505.677    65.527  439.718    91.326  575.665    94.073  218.182 24.390  251.335 21.648  -33.15224      32.61085 
1 1 1 -5  3  62 o 90.363   14.106  74.172     21.529  86.534     36.578  67.619     26.631  95.674  22.307  85.188  18.438  10.48604       28.94073 
1 1 1 -5  3  63 o 128.776  10.958  147.509    24.406  162.251    35.074  133.671    33.981  133.992 15.264  121.104 16.499  12.88798       22.47708 
1 1 1 -5  3  64 o 127.947  13.173  147.073    29.009  147.614    54.363  146.857    34.301  123.564 26.019  127.081 15.799  -3.517242      30.44043 
1 1 1 -5  3  65 o 166.773  12.378  248.607    35.788  193.253    60.466  278.452    44.400  141.665 25.377  175.775 14.598  -34.11049      29.27623 
1 1 1 -5  3  66 o 86.079   14.778  68.288     21.412  51.226     34.092  79.402     27.516  73.956  23.490  92.046  17.764  -18.08996      29.45092 
1 1 1 -5  3  67 o 127.966  13.116  147.990    28.892  142.600    48.472  150.961    35.982  121.178 23.758  128.037 16.477  -6.858810      28.91270 
1 1 1 -5  3  68 o 120.324  17.360  134.821    35.417  136.567    54.306  133.528    46.720  116.328 27.219  116.789 23.720  -0.4616623     36.10454 
1 1 1 -5  3  69 o 241.913  15.633  534.791    65.681  705.487    95.583  382.082    90.407  274.099 20.112  195.728 27.188  78.37029       33.81807 
1 1 1 -5  3  70 o 154.030  12.474  214.529    33.260  248.419    42.249  159.290    53.939  164.674 14.853  125.905 25.412  38.76880       29.43416 
1 1 1 -5  3  71 o 28.403   12.983  -8.7830    14.391  -14.7589   21.590  -4.0060    19.304  33.944  15.656  35.783  15.791  -1.838615      22.23696 
1 1 1 -5  3  72 o 98.440   13.054  89.143     21.884  124.448    33.310  62.334     29.027  114.683 17.162  79.329  20.727  35.35432       26.91013 
1 1 1 -5  3  73 o 111.469  12.186  113.542    23.332  137.981    35.526  95.003     30.941  120.430 17.399  99.001  18.582  21.42841       25.45596 
1 1 1 -5  3  74 o 105.376  12.631  102.240    22.776  119.694    33.630  87.450     30.957  111.452 17.886  94.131  19.477  17.32145       26.44381 
1 1 1 -5  4  1  o 728.976  23.983  4695.57    305.268 4993.04    528.819 4546.90    373.848 742.238 40.962  714.955 29.947  27.28339       50.74192 
1 1 1 -5  4  2  o 172.496  10.686  261.386    32.027  278.102    55.626  253.096    39.172  176.938 18.268  169.429 13.349  7.509659       22.62556 
1 1 1 -5  4  3  o 353.389  13.917  1094.71    85.871  1238.64    148.855 1022.92    105.127 373.934 22.909  340.724 17.732  33.21069       28.96955 
1 1 1 -5  4  4  o 369.728  13.255  1197.85    85.571  1158.11    121.013 1237.59    121.020 362.316 19.197  375.161 18.475  -12.84467      26.64274 
1 1 1 -5  4  5  o 461.511  15.123  1868.53    121.864 1999.58    172.350 1737.50    172.334 476.413 20.719  443.227 22.340  33.18552       30.46863 
1 1 1 -5  4  6  o 513.089  15.758  2310.60    141.171 2326.11    199.655 2295.10    199.636 513.454 22.270  509.984 22.419  3.469788       31.60001 
1 1 1 -5  4  7  o 116.578  8.7787  119.519    17.738  105.895    25.089  133.136    25.082  109.104 13.455  122.737 11.851  -13.63273      17.92992 
1 1 1 -5  4  8  o 386.378  12.903  1308.17    87.048  1390.18    100.541 1062.64    173.955 398.118 14.463  344.466 29.197  53.65149       32.58270 
1 1 1 -5  4  9  o 432.420  14.107  1639.83    106.515 1669.80    123.016 1550.06    212.908 436.049 16.157  416.301 29.481  19.74731       33.61803 
1 1 1 -5  4  10 o 148.086  10.432  192.881    26.801  192.881    26.801  0.0000     0.0000  148.086 10.432  ?       ?       0.000000       10.43177 
1 1 1 -5  4  11 o 476.024  16.957  1991.82    140.940 1991.82    140.940 0.0000     0.0000  476.024 16.957  ?       ?       0.000000       16.95676 
1 1 1 -5  4  12 o 102.589  7.9684  92.578     14.162  92.578     14.162  0.0000     0.0000  102.589 7.9684  ?       ?       0.000000       7.968438 
1 1 1 -5  4  13 o 218.785  8.1030  418.579    30.955  361.636    37.831  533.948    53.847  202.955 10.713  246.506 12.552  -43.55069      16.50235 
1 1 1 -5  4  14 o 409.797  19.676  1480.64    140.792 1448.51    199.080 1512.78    199.140 402.216 28.532  411.306 27.894  -9.089600      39.90158 
1 1 1 -5  4  15 o 607.913  25.896  3283.07    274.871 3054.62    388.693 3511.60    388.760 579.139 38.660  622.853 35.899  -43.71454      52.75713 
1 1 1 -5  4  16 o 567.409  24.681  2856.64    244.528 2779.74    345.793 2933.55    345.836 553.712 35.961  569.459 34.950  -15.74707      50.14664 
1 1 1 -5  4  17 o 856.591  35.076  6620.79    524.622 6450.83    741.906 6790.76    741.949 828.862 51.518  852.106 50.088  -23.24341      71.85318 
1 1 1 -5  4  18 o 595.803  25.476  3154.60    265.028 2913.26    374.769 3396.03    374.844 565.264 38.195  612.401 35.203  -47.13666      51.94347 
1 1 1 -5  4  19 o 165.382  13.995  241.768    40.034  251.873    56.745  231.755    56.490  167.833 19.741  160.721 20.604  7.112747       28.53476 
1 1 1 -5  4  20 f 160.136  13.811  226.696    38.240  249.295    54.214  204.322    53.945  167.127 18.911  150.657 21.084  16.46924       28.32270 
1 1 1 -5  4  21 o 182.064  14.284  292.747    45.044  299.877    63.819  285.670    63.585  183.232 20.288  178.690 20.767  4.542862       29.03209 
1 1 1 -5  4  22 o 378.925  18.722  1265.03    123.868 1328.84    175.233 1201.30    175.119 385.863 26.163  366.345 27.579  19.51791       38.01476 
1 1 1 -5  4  23 f 384.703  17.082  1301.55    114.746 0.0000     0.0000  1301.55    114.746 ?       ?       384.703 17.082  0.000000       17.08247 
1 1 1 -5  4  24 o 446.752  29.997  1787.84    232.639 0.0000     0.0000  1787.84    232.639 ?       ?       446.752 29.997  0.000000       29.99715 
1 1 1 -5  4  25 o 498.584  22.513  2195.62    195.992 0.0000     0.0000  2195.62    195.992 ?       ?       498.584 22.513  0.000000       22.51321 
1 1 1 -5  4  26 o 429.289  16.473  1618.43    123.480 1500.83    213.770 1677.31    151.269 409.555 30.104  436.449 19.850  -26.89471      36.05921 
1 1 1 -5  4  27 o 498.657  18.237  2185.50    158.786 2144.13    274.931 2206.20    194.507 489.414 32.355  500.192 22.271  -10.77844      39.27893 
1 1 1 -5  4  28 o 373.981  15.077  1226.30    98.452  1086.99    170.430 1296.07    120.612 349.153 28.196  384.126 17.983  -34.97284      33.44239 
1 1 1 -5  4  29 o 617.657  18.585  3351.46    200.434 3305.91    283.471 3397.00    283.441 611.471 26.550  619.945 26.185  -8.474182      37.29016 
1 1 1 -5  4  30 o 364.792  13.038  1165.25    83.043  1198.37    117.471 1132.16    117.410 369.418 18.212  358.514 18.822  10.90427       26.19006 
1 1 1 -5  4  31 o 349.014  12.869  1066.46    78.423  1074.17    110.954 1058.77    110.859 349.305 18.255  346.767 18.375  2.537872       25.90141 
1 1 1 -5  4  32 o 636.407  18.902  3557.18    210.038 3679.60    297.085 3434.84    296.992 645.444 26.361  623.350 27.287  22.09418       37.94010 
1 1 1 -5  4  33 o 380.933  13.478  1270.69    89.648  1279.15    126.849 1262.26    126.713 381.627 19.036  378.598 19.231  3.028961       27.05975 
1 1 1 -5  4  34 o 517.086  18.619  2347.76    168.104 2416.58    205.892 2210.15    291.145 523.919 22.507  497.390 33.723  26.52942       40.54350 
1 1 1 -5  4  35 o 267.665  13.054  627.262    61.010  656.304    74.816  569.617    105.406 273.166 15.753  253.086 24.145  20.07982       28.82954 
1 1 1 -5  4  36 o 457.152  17.319  1833.79    138.248 1876.11    169.342 1749.22    239.387 461.850 20.999  442.959 31.149  18.89059       37.56638 
1 1 1 -5  4  37 o 292.331  11.640  747.811    59.415  744.459    84.113  751.149    83.939  290.855 16.631  292.178 16.521  -1.323547      23.44252 
1 1 1 -5  4  38 o 224.213  12.328  441.383    48.078  431.103    82.867  446.599    59.029  220.242 21.837  225.223 15.098  -4.981415      26.54753 
1 1 1 -5  4  39 o 297.737  16.185  779.819    83.825  702.620    117.924 858.672    119.180 281.203 24.254  311.502 22.055  -30.29886      32.78218 
1 1 1 -5  4  40 o 238.295  15.416  499.960    63.799  514.971    90.214  484.942    90.236  240.885 21.681  233.568 22.401  7.316452       31.17472 
1 1 1 -5  4  41 o 266.974  13.048  624.257    60.825  640.075    74.604  592.899    105.043 269.662 15.915  258.213 23.558  11.44897       28.42988 
1 1 1 -5  4  42 o 39.438   13.123  12.857     10.573  10.472     13.328  16.905     17.364  39.381  14.592  47.276  16.775  -7.894508      22.23308 
1 1 1 -5  4  43 o 663.038  22.792  3878.26    263.871 3755.99    323.196 4122.70    456.979 650.623 28.449  675.938 38.883  -25.31531      48.17949 
1 1 1 -5  4  44 o 382.374  13.505  1281.35    90.169  1253.89    127.435 1308.89    127.602 376.998 19.425  385.749 18.945  -8.751282      27.13383 
1 1 1 -5  4  45 o 155.665  11.778  213.397    31.776  154.632    54.877  243.039    38.974  130.070 25.072  165.966 13.568  -35.89613      28.50775 
1 1 1 -5  4  46 o 118.807  12.411  125.001    25.366  109.273    44.230  132.710    30.965  109.090 23.883  122.099 14.829  -13.00876      28.11159 
1 1 1 -5  4  47 o 368.151  15.318  1190.04    98.470  1099.47    170.432 1235.42    120.644 350.461 28.088  374.626 18.444  -24.16522      33.60172 
1 1 1 -5  4  48 o 381.755  19.248  1287.70    127.889 1157.03    180.833 1418.45    180.891 359.034 29.096  398.764 26.124  -39.73041      39.10310 
1 1 1 -5  4  49 o 397.117  13.644  1383.88    94.604  1374.49    133.678 1393.31    133.901 394.737 19.395  397.451 19.295  -2.713898      27.35787 
1 1 1 -5  4  50 o 263.110  11.383  606.710    52.294  587.234    73.684  626.475    74.228  257.803 16.455  266.388 16.033  -8.584930      22.97448 
1 1 1 -5  4  51 o 416.268  14.231  1522.70    103.438 1496.04    146.236 1549.39    146.332 411.208 20.367  418.569 20.022  -7.361023      28.56050 
1 1 1 -5  4  52 o 351.619  12.758  1085.59    78.326  1011.47    110.574 1160.24    110.966 337.764 18.824  362.589 17.527  -24.82523      25.72029 
1 1 1 -5  4  53 o 472.856  17.333  1974.89    143.112 1822.73    247.290 2051.51    175.484 447.160 31.881  480.678 20.908  -33.51773      38.12572 
1 1 1 -5  4  54 f 289.466  13.321  737.166    67.329  666.182    115.030 774.158    83.040  271.694 24.512  295.685 16.145  -23.99188      29.35094 
1 1 1 -5  4  55 o 89.406   14.172  72.147     21.386  103.207    33.674  51.149     27.687  106.312 18.829  74.622  20.582  31.69046       27.89544 
1 1 1 -5  4  56 o 464.398  20.888  1927.54    169.374 1735.50    238.735 2122.17    240.334 433.133 31.789  481.605 28.710  -48.47174      42.83491 
1 1 1 -5  4  57 o 514.313  18.199  2355.81    163.432 2107.93    199.810 2856.87    284.078 483.209 23.682  557.036 29.310  -73.82690      37.68212 
1 1 1 -5  4  58 o 297.238  13.535  780.945    70.246  698.233    85.599  951.527    122.929 279.341 17.640  324.255 21.839  -44.91452      28.07389 
1 1 1 -5  4  59 o 109.809  10.995  107.265    20.797  110.437    28.272  103.524    30.702  110.569 15.034  106.478 17.092  4.090912       22.76273 
1 1 1 -5  4  60 o 193.994  10.764  332.751    36.318  313.777    50.736  352.693    52.012  187.038 15.680  198.550 15.116  -11.51180      21.77996 
1 1 1 -5  4  61 o 332.382  12.579  978.819    73.004  970.303    103.000 987.416    103.489 327.951 18.057  330.883 17.980  -2.932343      25.48200 
1 1 1 -5  4  62 o 100.643  11.856  90.902     20.434  57.149     27.758  130.831    30.191  77.831  20.237  120.243 14.685  -42.41211      25.00358 
1 1 1 -5  4  63 o 203.601  10.861  367.820    38.473  344.600    53.999  391.760    54.829  195.227 15.981  208.582 15.158  -13.35513      22.02644 
1 1 1 -5  4  64 o 134.733  10.953  161.915    25.545  150.560    35.103  174.699    37.244  128.348 16.012  138.505 15.676  -10.15685      22.40816 
1 1 1 -5  4  65 o 71.207   18.494  48.082     23.200  48.428     32.593  47.728     33.032  71.985  22.979  71.642  23.162  0.3422089      32.62686 
1 1 1 -5  4  66 o 63.740   17.530  38.345     20.119  25.838     25.106  60.788     33.631  56.144  20.144  79.188  22.976  -23.04420      30.55588 
1 1 1 -5  4  67 o 67.891   22.958  42.285     32.352  0.0000     0.0000  42.285     32.352  ?       ?       67.891  22.958  0.000000       22.95776 
1 1 1 -5  4  68 o 47.622   19.599  9.2996     26.253  0.0000     0.0000  9.2996     26.253  ?       ?       47.622  19.599  0.000000       19.59949 
1 1 1 -5  4  69 o 126.956  13.066  146.831    28.551  86.402     47.903  180.125    35.557  91.455  27.650  139.971 14.772  -48.51641      31.34876 
1 1 1 -5  4  70 o 43.418   15.844  14.699     15.619  6.7978     22.696  21.808     21.527  43.654  18.118  51.469  18.629  -7.815708      25.98642 
1 1 1 -5  4  71 o 46.617   15.971  18.888     15.660  0.8833     21.238  40.336     23.181  39.578  17.024  64.533  19.173  -24.95456      25.63963 
1 1 1 -5  4  72 o 40.652   15.737  10.842     15.910  6.2611     22.929  15.095     22.095  43.300  18.111  47.365  18.486  -4.064465      25.87929 
1 1 1 -5  4  73 o 37.416   15.304  6.0180     15.884  8.4124     23.105  3.8725     21.871  44.309  18.327  41.222  17.489  3.086864       25.33218 
1 1 1 -5  5  1  o 144.228  11.238  183.370    28.078  154.689    48.625  197.718    34.391  130.448 22.140  149.520 13.312  -19.07196      25.83368 
1 1 1 -5  5  2  o 191.193  11.395  321.467    37.868  364.696    65.651  299.914    46.356  202.507 18.781  184.218 14.530  18.28938       23.74483 
1 1 1 -5  5  3  o 176.750  11.592  274.967    35.576  249.872    61.727  287.449    43.535  166.694 21.724  180.417 13.927  -13.72284      25.80506 
1 1 1 -5  5  4  o 230.983  15.399  471.035    61.749  0.0000     0.0000  471.035    61.749  ?       ?       230.983 15.399  0.000000       15.39878 
1 1 1 -5  5  5  o 451.192  14.226  1787.73    112.076 1762.98    158.480 1812.49    158.518 446.702 20.319  453.004 20.041  -6.302460      28.53900 
1 1 1 -5  5  6  o 171.225  11.831  258.212    35.154  227.006    43.089  320.323    60.790  159.936 15.629  189.714 18.590  -29.77751      24.28748 
1 1 1 -5  5  7  o 415.850  13.911  1518.31    101.011 1537.54    116.667 1460.73    201.873 418.100 15.981  403.200 28.865  14.90012       32.99400 
1 1 1 -5  5  8  o 391.983  13.520  1348.63    92.533  1315.22    106.874 1448.68    184.928 386.714 15.828  402.414 26.466  -15.70084      30.83813 
1 1 1 -5  5  9  o 328.926  14.111  950.112    81.046  926.281    99.294  997.677    140.281 323.778 17.630  334.343 24.193  -10.56525      29.93513 
1 1 1 -5  5  10 o 201.221  9.4792  354.435    33.305  374.581    38.517  294.745    66.299  206.510 10.719  181.321 21.350  25.18842       23.88979 
1 1 1 -5  5  11 o 572.694  20.250  2898.28    202.495 2997.20    248.042 2700.62    350.627 580.782 24.460  544.031 37.133  36.75122       44.46501 
1 1 1 -5  5  12 o 112.264  10.291  111.296    19.948  112.984    24.589  108.048    34.117  112.786 12.707  109.220 18.553  3.566032       22.48781 
1 1 1 -5  5  13 o 581.508  27.251  3017.17    276.692 3463.63    391.197 2570.24    391.407 616.863 36.482  526.936 42.914  89.92755       56.32529 
1 1 1 -5  5  14 o 52.823   13.623  25.415     12.647  28.431     17.452  22.080     18.352  56.395  16.605  51.644  17.292  4.750408       23.97394 
1 1 1 -5  5  15 o 191.585  11.438  322.800    38.088  208.500    53.584  439.523    54.149  152.252 20.692  223.315 13.957  -71.06300      24.95946 
1 1 1 -5  5  16 o 179.565  20.547  288.458    63.262  0.0000     0.0000  288.458    63.262  ?       ?       179.565 20.547  0.000000       20.54709 
1 1 1 -5  5  17 o 772.820  46.945  5547.93    630.479 0.0000     0.0000  5547.93    630.479 ?       ?       772.820 46.945  0.000000       46.94520 
1 1 1 -5  5  18 o 201.428  21.032  362.167    72.880  0.0000     0.0000  362.167    72.880  ?       ?       201.428 21.032  0.000000       21.03201 
1 1 1 -5  5  19 o 296.973  23.947  786.314    123.119 0.0000     0.0000  786.314    123.119 ?       ?       296.973 23.947  0.000000       23.94721 
1 1 1 -5  5  20 o 98.674   19.649  88.796     32.663  0.0000     0.0000  88.796     32.663  ?       ?       98.674  19.649  0.000000       19.64869 
1 1 1 -5  5  21 o 286.727  16.335  724.655    81.444  771.093    115.279 678.378    115.078 294.554 22.586  275.814 24.138  18.73996       33.05754 
1 1 1 -5  5  22 o 404.698  19.358  1442.08    136.790 1560.46    193.523 1323.88    193.378 418.604 26.615  384.710 29.001  33.89413       39.36293 
1 1 1 -5  5  23 o 546.011  23.730  2634.12    226.234 2853.98    320.000 2414.43    319.886 564.492 32.605  517.788 35.598  46.70428       48.27315 
1 1 1 -5  5  24 o 666.541  27.964  3939.84    325.458 4054.12    460.297 3825.58    460.238 669.923 39.526  650.020 40.756  19.90295       56.77462 
1 1 1 -5  5  25 o 488.274  21.992  2100.85    187.499 2184.01    265.222 2017.76    265.106 494.731 30.857  475.010 32.153  19.72037       44.56381 
1 1 1 -5  5  26 o 117.909  12.954  123.211    26.230  94.230     46.250  136.953    31.848  101.343 26.007  124.094 15.003  -22.75117      30.02428 
1 1 1 -5  5  27 o 234.625  12.126  483.165    49.506  498.976    86.129  475.365    60.499  237.207 21.012  232.391 14.990  4.816666       25.81103 
1 1 1 -5  5  28 o 442.407  14.546  1715.19    112.362 1720.54    158.945 1709.85    158.864 442.263 20.583  440.878 20.637  1.385162       29.14673 
1 1 1 -5  5  29 o 631.257  19.140  3501.39    210.966 3719.65    298.388 3283.23    298.315 648.778 26.340  609.037 28.052  39.74023       38.48051 
1 1 1 -5  5  30 o 534.027  17.160  2502.57    160.011 2424.69    226.319 2580.42    226.261 524.209 24.726  540.958 23.954  -16.74811      34.42647 
1 1 1 -5  5  31 o 460.709  15.181  1860.51    122.122 1831.34    172.741 1889.65    172.672 456.132 21.689  463.398 21.340  -7.265503      30.42751 
1 1 1 -5  5  32 o 182.569  10.161  292.423    32.263  291.363    45.493  293.496    45.762  181.783 14.452  182.448 14.484  -0.6645660     20.46089 
1 1 1 -5  5  33 o 250.552  10.554  549.142    46.170  522.955    65.152  575.560    65.437  243.756 15.387  255.852 14.710  -12.09589      21.28679 
1 1 1 -5  5  34 o 509.353  18.349  2278.72    163.190 2170.07    199.907 2495.76    282.537 496.194 23.074  529.357 30.700  -33.16318      38.40379 
1 1 1 -5  5  35 o 162.130  11.503  231.194    32.352  215.741    39.657  261.942    55.940  156.206 14.713  171.622 18.986  -15.41667      24.01949 
1 1 1 -5  5  36 o 390.797  18.817  1342.12    128.398 1342.12    128.398 0.0000     0.0000  390.797 18.817  ?       ?       0.000000       18.81681 
1 1 1 -5  5  37 o 343.798  18.000  1041.05    107.678 1041.05    107.678 0.0000     0.0000  343.798 18.000  ?       ?       0.000000       17.99996 
1 1 1 -5  5  38 o 386.471  18.862  1313.01    127.285 1313.01    127.285 0.0000     0.0000  386.471 18.862  ?       ?       0.000000       18.86246 
1 1 1 -5  5  39 o 141.601  10.106  176.298    24.823  186.632    34.894  165.709    35.322  145.268 13.927  136.644 15.054  8.624329       20.50842 
1 1 1 -5  5  40 o 314.831  11.985  867.913    65.886  770.133    93.048  966.232    93.305  295.461 18.124  331.790 16.106  -36.32944      24.24587 
1 1 1 -5  5  41 o 256.703  11.220  576.852    50.289  566.974    70.909  586.848    71.332  253.634 16.095  258.086 15.907  -4.452362      22.62879 
1 1 1 -5  5  42 o 203.530  12.926  364.443    45.698  393.384    55.647  304.501    80.084  211.193 15.192  183.721 25.665  27.47131       29.82439 
1 1 1 -5  5  43 o 453.793  19.544  1813.77    154.856 1562.48    218.120 2069.16    219.890 417.659 30.112  482.323 26.208  -64.66473      39.91972 
1 1 1 -5  5  44 o 641.266  27.147  3654.59    303.960 3623.18    429.405 3686.13    430.326 631.456 39.139  637.107 38.869  -5.650696      55.16022 
1 1 1 -5  5  45 o 473.380  19.807  1976.10    163.719 1641.19    230.480 2317.20    232.603 427.247 31.109  510.070 26.205  -82.82312      40.67539 
1 1 1 -5  5  46 o 108.839  12.961  105.344    24.147  82.206     28.878  159.122    44.026  95.078  18.055  132.943 19.550  -37.86514      26.61188 
1 1 1 -5  5  47 o 543.548  24.042  2622.55    228.176 2771.03    322.790 2474.26    322.589 553.504 33.558  521.772 35.621  31.73254       48.93867 
1 1 1 -5  5  48 o 291.826  17.076  752.743    86.634  747.531    122.324 757.989    122.715 288.958 24.475  291.013 24.375  -2.054932      34.54180 
1 1 1 -5  5  49 o 231.730  15.997  475.037    64.331  0.0000     0.0000  475.037    64.331  ?       ?       231.730 15.997  0.000000       15.99720 
1 1 1 -5  5  50 o 294.320  13.208  761.096    67.876  641.400    116.161 823.153    83.641  266.851 25.230  305.282 15.745  -38.43060      29.73952 
1 1 1 -5  5  51 f 407.633  15.636  1464.93    111.292 1314.28    191.811 1541.39    136.645 380.582 29.085  417.244 18.756  -36.66248      34.60786 
1 1 1 -5  5  52 o 276.992  13.085  674.948    63.284  609.692    108.122 708.952    78.049  259.896 24.100  282.953 15.862  -23.05719      28.85155 
1 1 1 -5  5  53 o 159.883  10.380  225.294    28.820  203.585    39.951  248.851    41.616  151.072 15.359  167.377 14.380  -16.30428      21.03959 
1 1 1 -5  5  54 o 109.327  11.339  106.196    21.330  114.883    28.601  95.309     32.019  113.093 14.842  101.989 18.668  11.10385       23.84922 
1 1 1 -5  5  55 o 75.009   15.424  51.612     19.526  39.845     32.609  58.190     24.381  68.409  23.049  79.324  18.014  -10.91520      29.25324 
1 1 1 -5  5  56 o 227.133  10.918  454.092    43.300  437.898    60.749  470.815    61.733  221.527 15.809  229.843 15.473  -8.316254      22.12081 
1 1 1 -5  5  57 o 253.449  10.762  565.773    47.624  501.916    66.636  632.446    68.089  236.883 16.208  266.576 14.685  -29.69238      21.87125 
1 1 1 -5  5  58 o 364.994  14.827  1184.71    94.496  1090.01    115.425 1377.18    164.556 347.547 19.094  386.817 24.490  -39.27051      31.05394 
1 1 1 -5  5  59 o 54.818   16.197  27.334     16.579  27.619     18.613  26.242     36.468  55.553  17.318  62.440  23.915  -6.886936      29.52717 
1 1 1 -5  5  60 o 303.134  13.411  817.264    70.983  706.495    86.409  1047.15    124.481 279.385 17.806  337.934 21.204  -58.54898      27.68843 
1 1 1 -5  5  61 o 142.809  12.246  182.383    30.241  186.005    36.493  174.445    54.025  143.468 14.779  135.417 23.713  8.050446       27.94143 
1 1 1 -5  5  62 o 146.240  12.542  191.749    31.715  209.113    38.609  155.722    55.614  152.030 14.729  126.308 26.081  25.72228       29.95245 
1 1 1 -5  5  63 o 79.420   14.482  58.299     19.343  49.652     22.802  80.491     36.530  72.399  18.089  91.014  22.982  -18.61479      29.24701 
1 1 1 -5  5  64 o 86.855   14.374  69.565     21.037  69.276     24.851  70.295     39.518  85.788  17.189  84.654  25.005  1.134445       30.34295 
1 1 1 -5  5  65 o 85.465   12.262  66.595     17.774  39.342     22.959  107.362    28.080  64.495  19.061  107.838 15.346  -43.34208      24.47109 
1 1 1 -5  5  66 o 141.479  10.489  179.174    25.726  146.379    35.090  217.290    37.829  125.539 16.400  154.368 14.194  -28.82903      21.68948 
1 1 1 -5  5  67 o 52.229   16.387  25.070     16.636  27.600     22.532  22.039     24.665  55.840  19.157  53.222  19.824  2.617207       27.56840 
1 1 1 -5  5  68 o 155.064  11.115  216.450    29.895  198.522    41.382  236.021    43.236  145.839 16.544  159.630 15.716  -13.79163      22.81831 
1 1 1 -5  5  69 o 45.244   17.019  15.141     18.266  -17.4118   26.967  42.741     24.831  37.841  17.469  66.296  19.877  -28.45444      26.46241 
1 1 1 -5  5  70 o 52.539   18.110  24.615     20.148  36.753     31.585  16.287     26.163  63.340  22.608  50.353  19.973  12.98666       30.16670 
1 1 1 -5  5  71 o 47.200   17.322  18.047     18.707  -7.1090    27.883  38.641     25.228  41.566  18.620  63.048  20.227  -21.48185      27.49236 
1 1 1 -5  5  72 o 52.236   17.443  25.275     18.673  -2.2158    21.018  128.270    40.681  37.694  16.562  112.630 21.470  -74.93564      27.11535 
1 1 1 -5  6  1  o 373.140  15.241  1224.67    99.299  1206.47    121.654 1261.01    171.885 369.143 18.938  374.983 26.421  -5.840576      32.50721 
1 1 1 -5  6  2  o 190.585  11.346  319.533    37.587  336.485    46.106  285.944    64.899  195.276 13.607  178.488 21.241  16.78857       25.22610 
1 1 1 -5  6  3  o 126.502  11.150  141.338    24.377  131.534    29.937  160.630    41.995  121.513 14.389  133.696 18.484  -12.18252      23.42431 
1 1 1 -5  6  4  o 405.393  19.097  1451.24    135.179 1556.56    191.364 1346.35    190.981 416.909 26.425  386.831 28.475  30.07816       38.84730 
1 1 1 -5  6  5  o 601.439  26.458  3226.56    277.848 3064.27    393.086 3388.61    392.788 577.698 39.201  609.157 37.106  -31.45825      53.97762 
1 1 1 -5  6  6  o 431.978  20.121  1649.33    151.764 1709.28    214.806 1589.58    214.449 436.285 28.351  420.224 29.412  16.06128       40.85197 
1 1 1 -5  6  7  o 293.229  16.751  759.440    85.409  746.414    120.977 772.385    120.598 288.888 24.206  294.052 23.689  -5.163452      33.86935 
1 1 1 -5  6  8  o 325.246  13.806  928.775    78.406  930.028    96.077  926.277    135.666 324.559 17.013  322.045 24.305  2.513977       29.66798 
1 1 1 -5  6  9  o 372.179  12.782  1215.09    83.066  1265.27    95.958  1065.09    165.912 379.530 14.480  344.352 27.832  35.17755       31.37325 
1 1 1 -5  6  10 o 117.574  8.4677  121.557    17.267  130.286    20.032  96.315     34.063  121.635 9.5074  102.789 19.696  18.84548       21.87075 
1 1 1 -5  6  11 o 536.819  16.517  2535.18    154.818 2609.40    178.804 2312.91    309.449 544.000 18.824  504.816 35.330  39.18488       40.03171 
1 1 1 -5  6  12 o 192.917  10.199  326.751    34.232  326.927    48.458  326.576    48.365  192.415 14.530  192.314 14.510  0.1012268      20.53468 
1 1 1 -5  6  13 o 395.238  13.458  1370.41    92.877  1440.10    131.354 1300.74    131.341 404.274 18.608  383.519 19.680  20.75433       27.08420 
1 1 1 -5  6  14 o 374.489  12.677  1229.49    82.896  1392.90    117.271 1066.30    117.194 397.960 16.877  347.255 19.406  50.70465       25.71792 
1 1 1 -5  6  15 f 157.843  9.3266  218.742    25.590  254.406    36.287  183.456    36.094  169.942 12.312  143.853 14.571  26.08929       19.07635 
1 1 1 -5  6  16 o 156.495  11.135  215.523    30.229  215.523    30.229  0.0000     0.0000  156.495 11.135  ?       ?       0.000000       11.13546 
1 1 1 -5  6  17 o 146.883  11.401  190.041    29.010  223.951    35.560  122.562    50.163  159.344 12.891  115.423 25.564  43.92080       28.63051 
1 1 1 -5  6  18 o 169.266  11.194  251.909    32.898  234.255    40.274  287.311    57.030  162.821 14.311  179.823 18.423  -17.00194      23.32896 
1 1 1 -5  6  19 o 94.537   11.658  79.426     18.835  91.090     23.076  56.144     32.603  101.079 13.405  78.834  22.549  22.24499       26.23265 
1 1 1 -5  6  20 o 203.936  11.130  365.091    39.483  373.335    48.341  348.571    68.432  205.969 13.517  198.011 20.070  7.958160       24.19737 
1 1 1 -5  6  21 o 518.065  22.776  2367.47    206.031 2601.33    291.434 2133.80    291.309 539.838 31.049  487.499 34.445  52.33899       46.37316 
1 1 1 -5  6  22 o 166.178  13.885  243.669    39.920  274.160    56.721  213.742    56.193  175.624 18.788  154.344 21.429  21.27946       28.49951 
1 1 1 -5  6  23 o 635.065  26.883  3569.71    298.095 3656.20    421.595 3483.24    421.543 637.326 38.059  621.531 39.042  15.79517       54.52296 
1 1 1 -5  6  24 o 110.070  13.962  107.844    26.230  104.285    37.519  111.247    36.685  107.059 20.821  110.857 19.673  -3.798775      28.64479 
1 1 1 -5  6  25 o 479.248  16.374  2015.27    137.017 2061.02    237.430 1992.42    167.772 481.454 28.369  475.904 20.190  5.550049       34.81991 
1 1 1 -5  6  26 o 278.215  11.210  677.338    54.459  806.397    94.616  613.401    66.596  302.483 17.996  264.158 14.494  38.32501       23.10645 
1 1 1 -5  6  27 o 476.631  15.183  1991.85    126.358 2032.06    178.660 1951.62    178.734 480.424 21.298  470.736 21.745  9.688171       30.43792 
1 1 1 -5  6  28 o 445.124  16.052  1738.12    124.757 1929.37    152.877 1356.85    215.858 468.574 18.685  389.270 32.043  79.30417       37.09282 
1 1 1 -5  6  29 o 340.384  14.775  1015.68    87.813  995.092    107.648 1056.62    151.816 336.042 18.417  344.901 25.388  -8.859314      31.36405 
1 1 1 -5  6  30 o 441.981  16.720  1714.55    129.036 1768.04    158.110 1607.87    223.291 448.276 20.200  424.416 30.331  23.86087       36.44192 
1 1 1 -5  6  31 f 409.387  16.113  1470.55    115.182 1484.11    141.141 1443.52    199.295 410.765 19.679  402.499 28.543  8.266541       34.66897 
1 1 1 -5  6  32 o 129.689  10.776  148.183    24.182  158.456    29.902  128.768    41.109  133.882 12.953  119.315 20.470  14.56662       24.22380 
1 1 1 -5  6  33 o 222.597  9.8835  433.429    38.414  452.071    54.272  414.712    54.379  226.713 13.775  217.025 14.433  9.687302       19.95141 
1 1 1 -5  6  34 o 679.289  19.660  4060.21    233.191 4092.76    329.773 4027.66    329.790 679.359 27.801  673.848 28.029  5.510986       39.47802 
1 1 1 -5  6  35 o 367.032  12.447  1179.89    79.767  1173.05    112.791 1186.73    112.824 365.370 17.680  367.507 17.582  -2.137054      24.93421 
1 1 1 -5  6  36 o 315.151  11.655  869.623    64.136  902.822    90.702  836.425    90.702  320.265 16.273  308.127 16.924  12.13773       23.47824 
1 1 1 -5  6  37 o 259.095  13.225  589.844    59.631  583.571    72.823  602.610    103.885 257.285 16.294  260.214 23.105  -2.928925      28.27259 
1 1 1 -5  6  38 o 468.771  18.460  1933.31    151.096 2018.89    184.948 1761.56    262.007 478.228 22.149  442.141 34.204  36.08740       40.74932 
1 1 1 -5  6  39 o 430.597  17.130  1629.90    128.795 1634.77    157.590 1620.12    223.509 430.505 20.965  425.208 30.303  5.296875       36.84792 
1 1 1 -5  6  40 o 746.886  21.688  4926.19    282.841 4782.15    399.949 5070.29    400.045 731.384 31.318  753.605 30.402  -22.22113      43.64761 
1 1 1 -5  6  41 o 274.947  11.518  662.217    55.295  718.651    77.998  605.199    78.400  285.585 15.702  261.739 17.252  23.84607       23.32749 
1 1 1 -5  6  42 o 314.442  12.522  866.835    68.751  827.423    97.026  906.576    97.431  305.962 18.245  320.469 17.478  -14.50623      25.26562 
1 1 1 -5  6  43 o 183.409  10.522  295.559    33.555  237.541    46.786  357.016    48.152  163.489 16.620  201.216 13.789  -37.72720      21.59546 
1 1 1 -5  6  44 o 145.884  15.963  189.399    39.998  257.191    55.795  117.731    57.368  169.662 19.171  112.613 29.000  57.04917       34.76375 
1 1 1 -5  6  45 o 49.788   17.659  18.917     19.241  26.256     28.896  13.070     25.791  59.645  21.583  50.608  19.907  9.036404       29.36235 
1 1 1 -5  6  46 o 225.508  12.664  447.796    49.663  426.224    84.819  459.050    61.262  217.946 22.618  227.857 15.490  -9.911469      27.41368 
1 1 1 -5  6  47 o 109.033  13.064  105.910    24.376  122.325    40.113  96.300     30.693  115.810 20.592  103.024 17.700  12.78554       27.15350 
1 1 1 -5  6  48 o 223.150  15.758  441.187    61.003  0.0000     0.0000  441.187    61.003  ?       ?       223.150 15.758  0.000000       15.75778 
1 1 1 -5  6  49 o 121.949  15.930  133.432    33.109  0.0000     0.0000  133.432    33.109  ?       ?       121.949 15.930  0.000000       15.92976 
1 1 1 -5  6  50 o 25.538   12.128  -18.2163   14.646  0.0000     0.0000  -18.2163   14.646  ?       ?       25.538  12.128  0.000000       12.12826 
1 1 1 -5  6  51 o 225.278  15.661  451.024    61.220  368.400    86.590  533.601    86.566  200.565 25.288  243.652 20.539  -43.08702      32.57823 
1 1 1 -5  6  52 o 163.750  12.132  237.425    34.442  253.351    42.186  205.589    59.646  168.698 14.462  149.320 23.666  19.37834       27.73500 
1 1 1 -5  6  53 o 259.763  13.267  597.495    59.976  611.488    73.508  569.630    103.733 261.917 16.152  249.634 24.098  12.28322       29.01054 
1 1 1 -5  6  54 o 149.878  10.105  198.471    26.291  185.092    36.720  212.543    37.660  143.711 14.848  154.276 14.138  -10.56464      20.50180 
1 1 1 -5  6  55 o 98.159   11.179  86.041     18.819  90.957     25.903  80.546     27.386  100.033 15.318  93.494  17.417  6.538460       23.19428 
1 1 1 -5  6  56 o 71.693   13.023  46.911     15.702  44.206     20.681  50.592     24.126  68.919  17.232  73.580  18.730  -4.660812      25.45090 
1 1 1 -5  6  57 o 72.715   13.706  48.490     16.763  41.431     19.962  65.376     30.874  66.673  17.073  83.131  21.203  -16.45789      27.22246 
1 1 1 -5  6  58 o 95.716   12.996  82.867     21.158  83.659     25.327  81.037     38.497  95.442  15.747  91.828  23.811  3.614189       28.54660 
1 1 1 -5  6  59 o 86.351   13.954  68.196     20.321  72.813     23.999  56.502     38.195  88.690  16.090  77.760  24.882  10.92940       29.63090 
1 1 1 -5  6  60 o 196.361  15.191  348.841    51.679  348.841    51.679  0.0000     0.0000  196.361 15.191  ?       ?       0.000000       15.19109 
1 1 1 -5  6  61 o 36.130   14.354  6.5616     13.533  6.5616     13.533  0.0000     0.0000  36.130  14.354  ?       ?       0.000000       14.35390 
1 1 1 -5  6  62 o 153.675  11.625  211.752    30.962  170.142    36.897  310.808    56.928  136.098 15.822  183.231 18.027  -47.13292      23.98548 
1 1 1 -5  6  63 o 108.865  11.340  106.849    21.240  99.239     29.053  115.586    31.130  103.004 16.727  111.419 16.500  -8.415199      23.49599 
1 1 1 -5  6  64 o 166.475  10.556  247.987    30.526  214.390    42.149  285.052    44.271  152.291 16.095  176.698 14.476  -24.40767      21.64703 
1 1 1 -5  6  65 o 114.612  11.177  118.636    22.083  100.646    29.964  140.022    32.671  103.130 17.249  122.795 15.589  -19.66524      23.24962 
1 1 1 -5  6  66 o 206.215  10.683  381.523    38.334  333.827    53.357  432.405    55.111  189.512 16.283  217.072 14.625  -27.56059      21.88686 
1 1 1 -5  6  67 o 60.536   15.631  35.075     16.636  18.071     18.764  97.566     35.971  47.464  17.359  98.940  21.441  -51.47598      27.58719 
1 1 1 -5  6  68 o 97.477   14.013  88.580     23.165  87.807     26.565  91.034     47.328  95.949  16.448  91.996  27.410  3.952477       31.96636 
1 1 1 -5  6  69 o 236.102  16.986  527.343    69.558  486.862    97.354  569.561    99.420  215.657 26.405  236.031 24.479  -20.37395      36.00684 
1 1 1 -5  6  70 o 110.258  18.591  119.234    34.518  0.0000     0.0000  119.234    34.518  ?       ?       110.258 18.591  0.000000       18.59111 
1 1 1 -5  7  1  o 475.373  17.350  1988.21    144.011 1983.93    249.262 1990.35    176.438 470.164 30.528  474.707 21.287  -4.542542      37.21674 
1 1 1 -5  7  2  o 247.283  12.315  535.923    53.175  518.329    91.869  544.787    65.209  241.194 22.058  248.629 15.092  -7.434891      26.72722 
1 1 1 -5  7  3  o 339.953  12.208  1012.76    72.463  1056.31    83.718  882.677    144.695 347.001 13.817  314.092 26.634  32.90897       30.00519 
1 1 1 -5  7  4  o 474.188  15.306  1974.57    126.732 1987.10    146.368 1937.02    253.308 475.237 17.639  464.345 31.428  10.89175       36.03919 
1 1 1 -5  7  5  o 351.505  12.500  1082.84    76.722  1103.28    88.626  1021.72    153.260 354.595 14.314  338.303 26.148  16.29263       29.80996 
1 1 1 -5  7  6  o 410.746  13.688  1479.61    98.166  1508.71    113.386 1392.52    196.160 414.475 15.667  394.486 28.675  19.98926       32.67566 
1 1 1 -5  7  7  o 267.553  10.857  626.725    50.722  625.119    58.613  631.512    101.217 267.083 12.568  266.549 21.943  0.5338745      25.28725 
1 1 1 -5  7  8  f 422.792  15.802  1569.78    116.658 1663.50    142.974 1383.10    201.782 434.695 18.837  392.931 29.629  41.76422       35.10961 
1 1 1 -5  7  9  o 477.024  17.413  2000.53    145.039 2045.41    177.732 1911.06    250.943 481.552 21.138  461.672 31.315  19.88052       37.78157 
1 1 1 -5  7  10 o 683.670  22.704  4128.51    271.028 4259.28    332.030 3867.41    469.181 692.557 27.457  651.783 41.442  40.77399       49.71230 
1 1 1 -5  7  11 o 593.320  20.042  3101.07    207.630 3258.15    254.379 2787.56    359.385 606.983 24.002  555.323 37.280  51.65997       44.33833 
1 1 1 -5  7  12 o 317.273  13.786  882.512    76.370  907.359    93.607  833.052    132.067 320.958 16.761  305.828 24.949  15.12982       30.05666 
1 1 1 -5  7  13 o 309.045  11.516  836.235    62.141  947.174    87.966  725.723    87.796  328.541 15.334  286.819 17.616  41.72256       23.35521 
1 1 1 -5  7  14 o 297.403  13.549  775.227    70.357  906.602    121.842 709.506    86.177  319.873 21.948  283.620 17.487  36.25244       28.06253 
1 1 1 -5  7  15 o 507.915  17.732  2267.18    157.259 2493.64    192.662 1815.12    272.212 532.032 20.739  448.948 35.002  83.08466       40.68501 
1 1 1 -5  7  16 o 152.557  11.073  204.773    29.296  203.253    35.521  208.007    51.805  151.694 13.554  152.461 19.938  -0.7676849     24.10868 
1 1 1 -5  7  17 o 578.887  19.473  2948.60    196.826 2842.72    240.986 3160.74    341.126 567.161 24.335  594.178 33.010  -27.01721      41.01045 
1 1 1 -5  7  18 o 362.923  12.860  1153.80    81.493  1099.16    94.001  1319.10    163.501 353.988 15.208  385.618 24.409  -31.63016      28.75903 
1 1 1 -5  7  19 o 496.112  18.013  2162.95    156.038 2162.95    156.038 0.0000     0.0000  496.112 18.013  ?       ?       0.000000       18.01314 
1 1 1 -5  7  20 f 177.896  11.292  278.112    34.894  278.112    34.894  0.0000     0.0000  177.896 11.292  ?       ?       0.000000       11.29218 
1 1 1 -5  7  21 o 524.975  18.492  2422.72    169.502 2422.72    169.502 0.0000     0.0000  524.975 18.492  ?       ?       0.000000       18.49155 
1 1 1 -5  7  22 o 384.582  15.350  1297.41    103.074 1297.41    103.074 0.0000     0.0000  384.582 15.350  ?       ?       0.000000       15.34969 
1 1 1 -5  7  23 o 429.992  15.271  1621.84    114.656 1621.84    114.656 0.0000     0.0000  429.992 15.271  ?       ?       0.000000       15.27128 
1 1 1 -5  7  24 o 175.803  11.094  271.575    33.881  271.575    33.881  0.0000     0.0000  175.803 11.094  ?       ?       0.000000       11.09423 
1 1 1 -5  7  25 o 374.329  14.377  1228.55    93.970  1228.55    93.970  0.0000     0.0000  374.329 14.377  ?       ?       0.000000       14.37717 
1 1 1 -5  7  26 o 299.044  11.025  782.717    57.567  753.212    66.327  872.810    115.901 293.212 12.955  314.005 21.264  -20.79309      24.90013 
1 1 1 -5  7  27 o 294.581  11.411  759.693    58.696  755.222    82.952  764.177    83.065  292.850 16.287  294.598 16.211  -1.748260      22.97929 
1 1 1 -5  7  28 f 300.191  11.647  789.020    61.050  845.051    86.292  732.869    86.384  309.862 16.004  288.310 17.239  21.55194       23.52232 
1 1 1 -5  7  29 o 295.868  12.014  766.637    62.067  791.510    87.773  741.760    87.779  299.713 16.841  290.018 17.415  9.695160       24.22559 
1 1 1 -5  7  30 o 226.274  10.259  448.035    40.532  462.166    57.253  433.838    57.388  229.113 14.385  221.882 14.899  7.230804       20.71004 
1 1 1 -5  7  31 o 78.989   11.266  55.722     15.098  23.799     21.135  88.982     21.574  54.303  18.555  99.991  12.639  -45.68833      22.45077 
1 1 1 -5  7  32 o 220.970  10.292  427.326    39.710  400.339    56.074  454.477    56.243  213.044 15.173  227.187 14.250  -14.14333      20.81579 
1 1 1 -5  7  33 o 328.167  12.293  943.568    70.439  908.627    99.567  978.578    99.665  320.918 17.839  333.200 17.189  -12.28189      24.77328 
1 1 1 -5  7  34 o 160.948  9.6447  227.475    26.979  210.713    38.012  244.492    38.299  154.326 14.268  166.465 13.287  -12.13889      19.49680 
1 1 1 -5  7  35 o 312.810  12.157  857.436    66.401  901.448    93.820  813.264    93.990  319.758 16.864  303.494 17.815  16.26352       24.53041 
1 1 1 -5  7  36 o 720.295  25.208  4604.25    317.036 4778.13    388.233 4256.20    549.280 731.071 30.414  677.969 46.685  53.10248       55.71780 
1 1 1 -5  7  37 o 412.251  16.529  1494.67    118.977 1469.53    145.541 1545.30    206.570 407.467 20.522  415.218 28.668  -7.751007      35.25651 
1 1 1 -5  7  38 o 408.694  28.515  1498.28    202.209 1498.28    202.209 0.0000     0.0000  408.694 28.515  ?       ?       0.000000       28.51467 
1 1 1 -5  7  39 o 361.781  19.076  1158.02    120.077 1263.91    169.169 1050.49    170.467 375.946 25.930  341.594 28.850  34.35175       38.79027 
1 1 1 -5  7  40 o 208.807  12.863  384.023    46.671  552.524    80.477  298.637    57.288  249.568 18.602  183.149 18.153  66.41933       25.99173 
1 1 1 -5  7  41 o 716.920  24.138  4572.55    302.154 5077.92    523.117 4319.52    370.143 742.083 40.526  692.890 30.594  49.19275       50.77742 
1 1 1 -5  7  42 o 55.469   18.009  26.289     19.955  0.0000     0.0000  26.289     19.955  ?       ?       55.469  18.009  0.000000       18.00868 
1 1 1 -5  7  43 o 179.259  10.002  282.446    31.180  270.634    43.994  294.369    44.199  174.791 14.547  182.441 13.981  -7.649109      20.17633 
1 1 1 -5  7  44 o 298.855  10.838  783.395    56.557  788.354    79.774  778.385    80.196  298.718 15.346  296.776 15.530  1.942139       21.83320 
1 1 1 -5  7  45 o 205.143  9.9931  368.987    35.795  393.590    50.592  344.327    50.651  211.023 13.807  197.124 14.824  13.89919       20.25807 
1 1 1 -5  7  46 o 135.307  10.567  161.636    24.767  162.687    35.158  160.600    34.895  134.956 15.184  134.079 15.172  0.8775330      21.46495 
1 1 1 -5  7  47 o 134.402  10.214  159.455    23.791  147.129    33.248  172.387    34.057  128.201 15.145  139.091 14.223  -10.89079      20.77682 
1 1 1 -5  7  48 o 99.732   10.872  88.435     18.625  72.006     25.690  106.641    27.043  88.620  17.223  108.933 14.584  -20.31268      22.56787 
1 1 1 -5  7  49 o 141.040  12.240  176.581    29.843  164.153    51.714  182.786    36.542  133.189 23.073  142.971 14.855  -9.781754      27.44114 
1 1 1 -5  7  50 o 293.706  13.324  762.354    68.330  653.798    118.267 816.748    83.716  266.557 25.730  302.837 15.888  -36.27960      30.23985 
1 1 1 -5  7  51 o 194.118  12.105  333.898    40.825  316.147    70.547  342.836    50.059  185.671 22.201  196.022 14.733  -10.35170      26.64515 
1 1 1 -5  7  52 o 257.798  16.305  595.375    73.016  606.893    103.772 584.082    102.756 256.903 23.390  251.855 23.643  5.047928       33.25800 
1 1 1 -5  7  53 f 56.196   16.884  28.623     17.903  39.888     23.787  13.901     27.191  65.834  19.386  51.369  20.366  14.46519       28.11761 
1 1 1 -5  7  54 o 112.698  15.524  115.550    29.736  125.350    40.821  104.469    43.406  115.697 20.979  104.394 24.272  11.30283       32.08228 
1 1 1 -5  7  55 o 164.354  14.942  243.524    42.413  242.812    59.463  244.262    60.512  161.404 21.645  161.726 22.000  -0.3220978     30.86238 
1 1 1 -5  7  56 o 44.743   15.089  16.910     13.975  18.391     16.841  13.634     25.043  47.440  16.546  49.520  19.573  -2.080246      25.62910 
1 1 1 -5  7  57 o 93.118   13.483  79.021     21.285  89.607     25.991  57.463     37.089  98.624  15.613  77.861  24.474  20.76270       29.03032 
1 1 1 -5  7  58 o 128.042  12.695  147.843    28.009  146.968    34.019  149.683    49.348  126.605 15.728  124.320 23.597  2.285210       28.35806 
1 1 1 -5  7  59 o 144.646  10.643  186.928    26.692  165.231    37.186  209.989    38.338  133.917 16.235  151.869 14.639  -17.95224      21.86024 
1 1 1 -5  7  60 o 34.891   13.940  5.9181     12.831  8.6307     17.022  2.3484     19.526  40.453  16.090  39.105  16.554  1.348083       23.08486 
1 1 1 -5  7  61 o 166.443  12.310  250.042    35.522  224.476    43.044  304.627    62.895  155.889 16.043  178.916 20.503  -23.02725      26.03340 
1 1 1 -5  7  62 o 51.396   16.286  24.199     16.395  -0.6006    19.206  90.790     31.472  37.230  16.101  96.951  19.270  -59.72029      25.11143 
1 1 1 -5  7  63 o 211.570  12.674  405.917    46.603  347.457    56.665  528.114    81.925  192.833 17.004  235.002 20.161  -42.16824      26.37375 
1 1 1 -5  7  64 o 31.172   13.442  -0.3954    13.309  -0.0921    15.143  -1.4246    27.895  33.341  14.358  43.848  19.177  -10.50699      23.95618 
1 1 1 -5  7  65 o 208.769  12.622  397.138    45.794  330.133    77.236  433.463    56.869  179.473 25.352  216.169 15.163  -36.69577      29.54070 
1 1 1 -5  7  66 o 42.698   17.490  8.4842     20.785  0.0000     0.0000  8.4842     20.785  ?       ?       42.698  17.490  0.000000       17.49043 
1 1 1 -5  7  67 o 112.591  17.997  123.280    34.190  0.0000     0.0000  123.280    34.190  ?       ?       112.591 17.997  0.000000       17.99721 
1 1 1 -5  7  68 o 129.330  11.155  152.764    24.944  132.663    34.065  176.000    36.626  117.027 17.183  136.077 15.703  -19.05070      23.27739 
1 1 1 -5  8  1  o 588.200  23.857  3061.59    245.026 3061.59    245.026 0.0000     0.0000  588.200 23.857  ?       ?       0.000000       23.85744 
1 1 1 -5  8  2  o 292.097  12.197  747.510    62.205  747.510    62.205  0.0000     0.0000  292.097 12.197  ?       ?       0.000000       12.19653 
1 1 1 -5  8  3  o 195.361  9.4577  333.907    32.262  362.366    37.378  250.784    63.882  203.190 10.572  167.050 22.471  36.14041       24.83404 
1 1 1 -5  8  4  o 540.316  16.637  2565.28    156.959 2584.69    181.286 2507.17    313.685 541.786 19.163  527.678 34.230  14.10791       39.22961 
1 1 1 -5  8  5  o 536.653  16.060  2529.42    150.492 2639.33    173.821 2200.41    300.733 547.729 18.175  493.861 35.104  53.86871       39.52966 
1 1 1 -5  8  6  o 862.006  24.729  6578.97    372.208 6526.62    429.820 6735.95    744.255 856.475 28.741  852.625 50.214  3.849915       57.85749 
1 1 1 -5  8  7  o 547.241  19.335  2637.03    184.754 2744.10    226.340 2423.23    319.824 557.177 23.265  518.235 35.560  38.94250       42.49417 
1 1 1 -5  8  8  o 517.030  18.227  2351.59    164.551 2479.15    201.610 2097.06    284.795 530.008 21.785  482.638 34.012  47.37091       40.39108 
1 1 1 -5  8  9  o 339.252  13.885  1009.23    82.248  1096.54    100.838 835.687    142.161 353.324 16.345  305.747 26.903  47.57697       31.47913 
1 1 1 -5  8  10 o 361.740  14.764  1148.09    93.253  1206.16    114.269 1032.31    161.353 370.380 17.669  339.920 27.419  30.45917       32.61892 
1 1 1 -5  8  11 o 283.903  13.269  706.488    65.779  714.443    80.638  690.667    113.718 284.754 16.286  278.551 23.603  6.202881       28.67639 
1 1 1 -5  8  12 o 327.022  13.990  937.797    79.885  991.765    97.916  830.372    138.147 335.986 16.691  304.970 26.197  31.01648       31.06245 
1 1 1 -5  8  13 o 499.126  21.328  2197.38    185.872 2466.04    263.087 1929.62    262.638 525.831 28.763  463.499 32.661  62.33142       43.52118 
1 1 1 -5  8  14 o 232.942  14.905  478.028    60.304  523.433    85.611  433.312    84.958  242.887 20.375  220.440 22.383  22.44704       30.26780 
1 1 1 -5  8  15 o 230.867  14.526  469.376    58.258  532.378    82.808  407.631    81.977  245.129 19.508  213.760 22.292  31.36885       29.62257 
1 1 1 -5  8  16 o 809.150  33.171  5859.23    468.657 5859.23    468.657 0.0000     0.0000  809.150 33.171  ?       ?       0.000000       33.17138 
1 1 1 -5  8  17 o 581.016  20.370  2975.15    206.652 2890.26    253.014 3145.27    358.166 571.189 25.369  591.125 34.855  -19.93567      43.11000 
1 1 1 -5  8  18 o 539.730  19.425  2565.30    183.061 2541.88    224.124 2612.26    317.296 536.063 23.945  538.951 33.890  -2.888550      41.49544 
1 1 1 -5  8  19 o 368.664  14.549  1192.39    93.654  1118.05    114.521 1342.48    162.727 355.985 18.488  388.817 24.088  -32.83185      30.36477 
1 1 1 -5  8  20 o 164.151  9.3258  236.480    26.619  236.399    30.506  236.738    54.501  163.987 10.713  162.809 19.564  1.178146       22.30466 
1 1 1 -5  8  21 o 209.266  10.235  383.262    37.397  350.748    42.999  484.220    75.769  199.698 12.393  233.817 18.716  -34.11861      22.44696 
1 1 1 -5  8  22 o 146.934  9.6702  189.717    24.671  184.878    28.346  204.833    50.103  144.867 11.295  151.294 19.414  -6.427216      22.46077 
1 1 1 -5  8  23 o 521.533  15.921  2389.05    144.981 2353.78    167.324 2495.31    290.405 517.115 18.531  527.434 31.680  -10.31940      36.70238 
1 1 1 -5  8  24 f 422.279  15.389  1565.74    113.464 1487.95    138.727 1722.93    197.204 410.977 19.332  439.987 25.782  -29.01025      32.22465 
1 1 1 -5  8  25 o 85.922   11.482  65.801     16.796  76.328     19.777  38.561     31.812  92.484  12.573  68.032  22.767  24.45216       26.00764 
1 1 1 -5  8  26 o 150.459  9.5450  198.881    24.946  209.212    28.655  166.544    50.696  154.212 10.708  135.587 22.181  18.62494       24.63041 
1 1 1 -5  8  27 o 327.781  11.341  941.073    64.906  877.495    74.783  1135.18    130.670 316.295 13.541  357.989 20.997  -41.69385      24.98424 
1 1 1 -5  8  28 o 366.164  14.889  1177.29    95.194  1177.29    95.194  0.0000     0.0000  366.164 14.889  ?       ?       0.000000       14.88921 
1 1 1 -5  8  29 o 415.856  15.933  1520.01    115.695 1445.73    141.513 1669.74    200.911 404.780 20.022  432.447 26.739  -27.66711      33.40449 
1 1 1 -5  8  30 o 259.804  11.230  591.314    50.944  607.604    71.988  574.972    72.103  262.455 15.782  255.202 16.266  7.253052       22.66387 
1 1 1 -5  8  31 o 423.826  14.509  1577.51    107.372 1840.43    131.697 1056.28    185.429 457.392 16.490  341.799 31.422  115.5928       35.48621 
1 1 1 -5  8  32 o 319.139  16.895  899.001    93.811  1100.67    132.818 698.230    132.521 352.024 21.714  278.459 27.620  73.56494       35.13388 
1 1 1 -5  8  33 o 86.329   17.729  68.044     25.829  100.105    34.159  25.234     39.471  104.878 19.367  64.678  24.855  40.19958       31.50922 
1 1 1 -5  8  34 o 291.105  23.993  757.935    120.867 757.935    120.867 0.0000     0.0000  291.105 23.993  ?       ?       0.000000       23.99290 
1 1 1 -5  8  35 o 591.920  25.652  3124.38    265.119 3110.14    374.405 3138.70    375.467 583.015 36.970  585.747 36.900  -2.731995      52.23410 
1 1 1 -5  8  36 o ?        ?       -289.9182  10.861  0.0000     0.0000  -289.9182  10.861  ?       ?       ?       ?       0.000000       ?        
1 1 1 -5  8  37 o 388.835  16.835  1333.34    114.299 1287.45    139.644 1426.49    198.956 380.441 21.105  397.388 28.871  -16.94733      35.76197 
1 1 1 -5  8  38 o 201.206  12.774  357.024    44.643  344.551    54.087  383.689    79.080  197.109 15.849  206.583 22.276  -9.474457      27.33884 
1 1 1 -5  8  39 o 211.067  10.535  390.662    38.824  390.273    54.818  391.053    54.993  209.955 15.053  210.159 15.087  -0.2042084     21.31221 
1 1 1 -5  8  40 o 173.807  10.731  266.030    32.408  231.843    45.322  301.798    46.358  161.247 16.322  184.544 14.504  -23.29614      21.83499 
1 1 1 -5  8  41 o 293.498  13.511  758.336    69.237  762.232    119.198 756.352    85.058  290.879 23.674  292.003 16.753  -1.124329      29.00221 
1 1 1 -5  8  42 o 162.252  10.437  232.014    29.410  246.537    41.294  217.062    41.898  166.602 14.335  155.994 15.591  10.60741       21.17949 
1 1 1 -5  8  43 o 321.400  14.158  911.570    79.452  859.174    97.035  1018.16    138.400 310.523 17.974  335.664 23.768  -25.14151      29.79847 
1 1 1 -5  8  44 o 179.676  10.306  284.522    32.198  288.283    45.118  280.617    45.964  180.050 14.474  177.511 14.969  2.538879       20.82220 
1 1 1 -5  8  45 o 308.690  11.405  838.885    61.470  938.551    86.959  739.347    86.904  325.432 15.304  287.729 17.379  37.70313       23.15694 
1 1 1 -5  8  46 o 341.703  11.756  1029.29    70.139  1060.99    99.153  997.547    99.229  345.336 16.444  334.207 17.061  11.12900       23.69564 
1 1 1 -5  8  47 o 137.315  11.066  167.213    26.306  216.108    32.913  80.738     43.771  155.984 12.181  92.404  26.022  63.57993       28.73168 
1 1 1 -5  8  48 o 92.783   15.968  78.808     24.936  84.300     37.906  74.618     33.110  94.346  23.177  89.013  21.536  5.332878       31.63856 
1 1 1 -5  8  49 o 187.669  15.161  315.911    49.255  305.450    70.367  325.960    68.967  181.578 22.690  188.247 21.360  -6.669617      31.16218 
1 1 1 -5  8  50 o 95.888   15.863  84.308     25.631  87.233     37.708  81.796     34.945  95.668  22.882  92.827  21.912  2.840858       31.68138 
1 1 1 -5  8  51 o 244.866  12.479  533.768    53.177  465.078    91.989  568.244    65.170  222.777 24.029  251.652 14.898  -28.87447      28.27244 
1 1 1 -5  8  52 o 30.970   12.715  2.9715     11.015  -36.1236   22.324  15.551     12.664  29.174  14.140  42.862  14.364  -13.68815      20.15591 
1 1 1 -5  8  53 o 122.844  10.101  134.378    21.474  136.491    30.281  132.240    30.456  122.598 14.422  120.532 14.781  2.065216       20.65086 
1 1 1 -5  8  54 o 135.083  9.8868  162.364    23.158  189.112    32.601  135.123    32.900  144.885 13.026  121.306 15.917  23.57911       20.56795 
1 1 1 -5  8  55 o 44.146   13.223  17.703     10.993  26.031     16.240  10.660     14.935  53.226  16.101  40.236  15.330  12.98936       22.23156 
1 1 1 -5  8  56 o 113.245  9.9813  114.691    19.535  121.234    27.611  108.132    27.642  115.173 14.019  108.328 15.018  6.844353       20.54417 
1 1 1 -5  8  57 o 159.504  12.105  229.303    33.461  200.794    40.162  294.001    60.503  147.559 15.835  176.244 20.016  -28.68517      25.52217 
1 1 1 -5  8  58 o 126.469  14.064  146.687    30.531  80.666     39.668  242.636    47.821  89.281  24.640  161.244 17.253  -71.96284      30.07975 
1 1 1 -5  8  59 o 18.811   9.2059  -19.1786   10.123  -24.2178   11.176  3.8433     23.889  18.924  9.3414  43.159  18.292  -24.23526      20.53948 
1 1 1 -5  8  60 o 79.168   14.464  58.894     19.257  39.883     30.058  72.129     25.080  65.040  22.128  86.717  17.171  -21.67750      28.00942 
1 1 1 -5  8  61 o 79.685   24.724  65.244     37.986  0.0000     0.0000  65.244     37.986  ?       ?       79.685  24.724  0.000000       24.72351 
1 1 1 -5  8  62 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -5  8  63 o 29.548   13.494  -8.6823    15.506  -8.6823    15.506  0.0000     0.0000  29.548  13.494  ?       ?       0.000000       13.49438 
1 1 1 -5  8  64 o 55.451   16.112  29.715     16.528  26.231     19.082  40.178     33.069  52.968  17.631  64.611  23.125  -11.64305      29.07955 
1 1 1 -5  8  65 f 78.744   13.240  58.494     17.557  48.454     23.642  70.841     26.217  69.302  18.980  84.276  18.338  -14.97440      26.39124 
1 1 1 -5  8  66 o 55.312   16.222  29.934     16.685  24.185     19.597  45.081     31.812  51.235  17.850  66.350  22.763  -15.11500      28.92696 
1 1 1 -5  9  1  f 248.512  12.768  543.019    55.216  513.514    67.657  601.866    95.547  241.124 16.163  260.109 21.223  -18.98573      26.67679 
1 1 1 -5  9  2  o 265.629  11.151  618.117    51.718  620.652    59.802  610.597    103.009 266.021 12.875  261.646 22.775  4.375000       26.16193 
1 1 1 -5  9  3  o 232.564  11.038  473.771    44.824  448.697    51.845  547.998    89.201  225.783 13.208  248.234 20.771  -22.45065      24.61493 
1 1 1 -5  9  4  o 479.441  17.429  2023.46    145.905 2023.46    145.905 0.0000     0.0000  479.441 17.429  ?       ?       0.000000       17.42900 
1 1 1 -5  9  5  f 837.390  27.821  6250.96    406.779 6250.96    406.779 0.0000     0.0000  837.390 27.821  ?       ?       0.000000       27.82068 
1 1 1 -5  9  6  o 180.964  11.123  287.936    34.976  287.936    34.976  0.0000     0.0000  180.964 11.123  ?       ?       0.000000       11.12306 
1 1 1 -5  9  7  o 269.723  12.995  638.048    61.203  638.048    61.203  0.0000     0.0000  269.723 12.995  ?       ?       0.000000       12.99546 
1 1 1 -5  9  8  o 387.298  13.629  1316.14    92.166  1306.65    106.487 1344.46    184.007 385.566 15.817  387.611 27.364  -2.044891      31.60631 
1 1 1 -5  9  9  o 97.319   9.6759  83.709     16.224  81.251     18.915  90.553     31.559  95.609  11.565  99.774  18.805  -4.164581      22.07702 
1 1 1 -5  9  10 o 297.845  10.747  776.905    55.892  852.263    64.662  554.232    111.151 311.848 11.875  248.415 26.011  63.43285       28.59374 
1 1 1 -5  9  11 o 543.403  17.150  2598.52    162.724 2598.15    187.951 2599.63    325.170 542.640 19.837  535.857 34.945  6.782410       40.18253 
1 1 1 -5  9  12 f 318.022  12.046  886.457    66.893  932.350    94.461  840.292    94.741  325.146 16.695  308.443 17.665  16.70297       24.30559 
1 1 1 -5  9  13 o 119.495  9.7156  125.803    20.096  153.089    27.951  96.610     28.913  131.580 12.309  103.549 16.548  28.03188       20.62434 
1 1 1 -5  9  14 o 778.835  22.183  5367.10    301.668 5451.41    426.585 5282.75    426.660 779.787 31.330  767.297 31.846  12.49042       44.67406 
1 1 1 -5  9  15 o 68.975   10.546  42.615     12.298  46.280     16.913  38.502     17.914  71.387  14.069  64.904  15.927  6.482918       21.25050 
1 1 1 -5  9  16 o 177.152  10.167  275.669    31.317  266.612    35.866  304.731    64.248  174.012 11.875  184.711 20.253  -10.69907      23.47775 
1 1 1 -5  9  17 o 715.216  20.543  4518.67    256.547 4308.28    296.165 5151.04    513.461 696.723 24.345  751.162 39.285  -54.43890      46.21648 
1 1 1 -5  9  18 o 132.550  9.7037  154.615    22.302  148.181    25.467  175.781    46.193  129.551 11.374  139.855 19.442  -10.30374      22.52452 
1 1 1 -5  9  19 o 288.002  11.471  726.868    57.686  675.451    66.475  883.642    116.077 277.405 13.724  315.438 21.198  -38.03317      25.25296 
1 1 1 -5  9  20 o 217.474  10.340  414.180    39.262  389.105    45.226  490.884    79.100  210.289 12.372  235.061 19.447  -24.77249      23.04873 
1 1 1 -5  9  21 o 138.333  11.646  168.904    27.867  170.496    34.007  165.651    48.619  138.615 14.254  135.278 21.287  3.337555       25.61840 
1 1 1 -5  9  22 o 488.922  18.042  2107.23    154.024 2116.38    188.574 2088.89    266.964 488.809 22.094  480.902 31.975  7.906555       38.86617 
1 1 1 -5  9  23 o 244.352  12.847  525.315    54.621  525.787    66.621  524.349    95.402  243.998 15.721  242.138 22.834  1.859924       27.72298 
1 1 1 -5  9  24 o 535.061  24.253  2545.02    226.589 2730.34    320.139 2359.00    320.754 548.801 33.570  508.343 36.377  40.45810       49.50032 
1 1 1 -5  9  25 o 352.977  18.024  1101.72    110.717 1026.93    155.954 1177.73    157.209 338.208 26.624  362.910 24.961  -24.70175      36.49523 
1 1 1 -5  9  26 o 199.828  15.450  353.370    53.490  402.894    74.933  301.914    76.380  212.440 20.454  182.637 24.575  29.80264       31.97323 
1 1 1 -5  9  27 o 386.351  17.991  1317.27    121.368 1068.42    170.838 1570.85    172.453 344.023 28.702  419.650 23.632  -75.62674      37.17900 
1 1 1 -5  9  28 o 620.548  26.967  3446.19    292.195 3611.96    412.987 3280.04    413.465 626.893 37.908  595.625 39.988  31.26764       55.10025 
1 1 1 -5  9  29 o 260.508  15.810  599.893    71.573  460.954    100.375 743.604    102.085 225.717 25.940  289.036 20.358  -63.31841      32.97424 
1 1 1 -5  9  30 o 115.283  14.032  118.558    27.663  158.305    32.933  23.304     50.983  133.396 14.366  69.663  27.802  63.73356       31.29433 
1 1 1 -5  9  31 o 347.053  15.293  1060.97    92.675  1145.27    113.356 891.057    160.937 359.496 18.117  312.912 29.816  46.58374       34.88908 
1 1 1 -5  9  32 o 47.561   18.873  10.784     23.369  -52.3583   30.631  98.720     36.148  33.889  16.457  103.693 20.690  -69.80335      26.43711 
1 1 1 -5  9  33 o 660.822  22.695  3894.91    261.865 3711.33    320.530 4263.37    454.096 641.054 28.636  677.079 38.570  -36.02411      48.03796 
1 1 1 -5  9  34 o 379.579  13.176  1267.53    87.328  1278.07    123.413 1256.96    123.587 379.716 18.614  376.509 18.799  3.206879       26.45529 
1 1 1 -5  9  35 o 291.960  11.683  748.933    59.556  747.699    84.126  750.173    84.326  290.310 16.666  290.788 16.678  -0.4784241     23.57755 
1 1 1 -5  9  36 o 196.607  10.769  340.407    36.830  329.076    51.967  351.843    52.205  192.379 15.605  199.068 15.133  -6.689163      21.73734 
1 1 1 -5  9  37 o 122.491  10.644  132.753    22.538  125.040    31.650  140.689    32.102  117.899 15.770  125.346 14.963  -7.446571      21.73902 
1 1 1 -5  9  38 o 72.051   11.689  46.819     14.202  52.956     20.204  40.826     19.966  75.987  15.745  66.580  17.089  9.406593       23.23637 
1 1 1 -5  9  39 o 188.467  10.000  312.872    32.791  279.683    46.252  346.409    46.494  177.129 15.099  197.630 13.556  -20.50076      20.29122 
1 1 1 -5  9  40 o 378.286  13.418  1264.30    88.626  1311.23    125.266 1217.26    125.408 383.099 18.727  368.251 19.574  14.84821       27.08922 
1 1 1 -5  9  41 o 330.583  14.777  969.147    85.298  1004.23    104.614 899.571    147.331 334.830 17.959  311.687 27.348  23.14291       32.71780 
1 1 1 -5  9  42 o 124.932  12.092  139.062    26.049  142.330    32.241  132.920    44.203  125.743 14.980  119.451 22.004  6.292023       26.61901 
1 1 1 -5  9  43 o 291.031  13.849  751.510    70.373  785.153    86.360  685.014    121.413 295.926 16.783  271.440 25.933  24.48611       30.88934 
1 1 1 -5  9  44 o 192.007  12.209  327.548    40.720  338.704    50.239  306.181    69.526  194.445 14.911  181.952 22.354  12.49307       26.87091 
1 1 1 -5  9  45 o 181.131  12.227  291.975    38.443  307.284    47.146  261.600    66.408  185.069 14.711  167.245 23.380  17.82382       27.62314 
1 1 1 -5  9  46 o 37.744   13.741  10.472     11.738  14.602     15.796  5.3803     17.541  44.018  15.953  39.290  16.078  4.728004       22.64968 
1 1 1 -5  9  47 o 230.964  10.885  472.210    43.898  461.533    61.836  483.056    62.328  226.143 15.759  231.496 15.510  -5.352356      22.11066 
1 1 1 -5  9  48 o 188.081  10.646  314.254    34.818  282.616    48.827  346.986    49.663  176.397 16.028  196.210 14.601  -19.81270      21.68109 
1 1 1 -5  9  49 o 214.846  12.272  412.630    45.847  380.934    78.985  428.736    56.303  200.685 22.954  217.825 14.893  -17.14015      27.36164 
1 1 1 -5  9  50 o 158.466  12.080  225.243    33.174  216.083    56.822  229.980    40.861  150.556 22.288  159.053 14.886  -8.497726      26.80248 
1 1 1 -5  9  51 o 76.927   14.994  55.210     19.417  71.181     32.214  46.098     24.334  85.523  21.574  69.474  19.345  16.04887       28.97735 
1 1 1 -5  9  52 f 57.748   18.591  30.530     21.299  45.062     28.124  10.986     32.615  68.774  21.262  52.487  21.747  16.28630       30.41390 
1 1 1 -5  9  53 o 130.853  12.690  155.358    28.630  156.062    34.419  153.778    51.577  129.989 15.468  124.130 24.666  5.858955       29.11489 
1 1 1 -5  9  54 o 118.111  12.996  127.345    26.358  126.924    31.651  128.298    47.610  116.665 15.956  112.564 24.885  4.100365       29.56122 
1 1 1 -5  9  55 o 69.544   14.690  45.716     17.279  50.303     31.127  43.673     20.774  71.571  22.409  67.253  17.517  4.318428       28.44276 
1 1 1 -5  9  56 o 65.395   18.313  41.560     21.742  0.0000     0.0000  41.560     21.742  ?       ?       65.395  18.313  0.000000       18.31301 
1 1 1 -5  9  57 o 78.903   17.665  60.591     23.730  0.0000     0.0000  60.591     23.730  ?       ?       78.903  17.665  0.000000       17.66465 
1 1 1 -5  9  58 o 182.020  14.604  307.431    46.023  0.0000     0.0000  307.431    46.023  ?       ?       182.020 14.604  0.000000       14.60391 
1 1 1 -5  9  59 o 216.998  10.641  424.427    40.318  431.867    56.641  416.786    57.404  214.994 15.186  210.706 15.716  4.287842       21.85401 
1 1 1 -5  9  60 o 95.854   11.825  84.718     19.373  76.972     25.849  94.642     29.260  88.736  17.305  98.416  17.677  -9.680275      24.73764 
1 1 1 -5  9  61 o 51.495   15.304  25.458     14.768  27.029     19.017  23.072     23.440  53.372  17.593  52.042  19.337  1.329491       26.14264 
1 1 1 -5  9  62 o 29.653   12.921  -1.0206    12.561  -3.1228    14.059  7.2958     27.963  30.244  13.405  46.315  19.716  -16.07080      23.84148 
1 1 1 -5  9  63 o 109.596  16.722  117.599    30.986  109.954    41.427  127.308    46.684  100.369 23.969  106.938 25.382  -6.569191      34.91085 
1 1 1 -5  10 1  o 277.962  11.114  677.491    53.939  710.646    62.417  579.710    107.190 284.509 12.564  253.898 24.482  30.61102       27.51790 
1 1 1 -5  10 2  o 308.436  12.334  835.005    66.424  809.718    76.819  909.929    132.232 303.420 14.500  318.789 23.931  -15.36902      27.98059 
1 1 1 -5  10 3  o 455.662  14.614  1826.28    116.268 1900.86    134.355 1603.85    232.021 464.379 16.570  420.100 31.868  44.27872       35.91863 
1 1 1 -5  10 4  o 429.530  14.204  1622.11    106.526 1665.30    123.113 1493.43    212.499 434.748 16.218  406.152 30.180  28.59561       34.26169 
1 1 1 -5  10 5  o 210.408  10.585  388.988    38.763  392.719    44.975  378.209    76.439  211.189 12.249  205.382 21.641  5.807053       24.86720 
1 1 1 -5  10 6  o 612.125  18.783  3311.55    200.752 3238.58    231.855 3530.12    401.264 603.985 21.985  620.096 37.233  -16.11090      43.23911 
1 1 1 -5  10 7  o 802.902  23.095  5732.90    323.771 5648.29    373.896 5986.53    647.345 794.326 26.958  797.196 46.710  -2.869324      53.93089 
1 1 1 -5  10 8  o 633.002  18.915  3541.95    209.057 3463.68    241.447 3776.39    417.856 624.541 22.141  641.185 37.487  -16.64386      43.53700 
1 1 1 -5  10 9  o 160.922  12.050  228.484    33.613  228.484    33.613  0.0000     0.0000  160.922 12.050  ?       ?       0.000000       12.05027 
1 1 1 -5  10 10 o 253.259  12.953  564.718    57.087  564.718    57.087  0.0000     0.0000  253.259 12.953  ?       ?       0.000000       12.95287 
1 1 1 -5  10 11 o 332.311  14.562  971.332    84.496  971.332    84.496  0.0000     0.0000  332.311 14.562  ?       ?       0.000000       14.56220 
1 1 1 -5  10 12 o 59.714   14.508  32.612     14.978  32.612     14.978  0.0000     0.0000  59.714  14.508  ?       ?       0.000000       14.50809 
1 1 1 -5  10 13 o 609.326  20.720  3291.34    220.444 3139.18    269.806 3596.89    382.333 592.453 26.082  627.343 35.044  -34.89001      43.68451 
1 1 1 -5  10 14 o 809.430  25.615  5855.91    362.021 5673.68    626.785 5947.14    443.474 775.261 46.518  811.067 31.315  -35.80688      56.07610 
1 1 1 -5  10 15 o 454.454  16.484  1821.02    130.806 1682.94    226.061 1890.51    160.382 430.946 30.234  462.011 19.881  -31.06448      36.18505 
1 1 1 -5  10 16 o 334.394  13.831  983.154    80.754  875.174    98.430  1205.47    141.236 314.231 18.015  367.644 22.104  -53.41299      28.51566 
1 1 1 -5  10 17 o 266.417  16.239  628.063    75.179  628.063    75.179  0.0000     0.0000  266.417 16.239  ?       ?       0.000000       16.23865 
1 1 1 -5  10 18 o 121.492  11.832  130.761    24.780  144.463    29.505  97.957     45.653  127.501 13.456  102.672 25.564  24.82898       28.88948 
1 1 1 -5  10 19 o 138.108  13.153  169.132    31.335  173.892    37.750  158.584    56.188  139.596 15.763  131.028 25.477  8.567780       29.95935 
1 1 1 -5  10 20 o 155.038  12.734  212.596    34.167  224.579    41.157  186.030    61.281  158.990 15.003  142.109 25.641  16.88104       29.70737 
1 1 1 -5  10 21 o 291.585  11.640  746.354    59.261  750.747    68.184  732.786    119.824 292.187 13.365  285.363 24.279  6.824219       27.71423 
1 1 1 -5  10 22 o 502.262  16.288  2226.70    142.842 2263.69    164.861 2115.29    286.095 505.548 18.676  479.515 34.399  26.03339       39.14171 
1 1 1 -5  10 23 o 146.727  12.699  190.634    32.213  190.634    32.213  0.0000     0.0000  146.727 12.699  ?       ?       0.000000       12.69882 
1 1 1 -5  10 24 o 486.780  15.040  2089.29    127.831 1948.20    147.401 2517.34    256.741 469.059 17.997  527.299 27.986  -58.23981      33.27311 
1 1 1 -5  10 25 o 226.618  11.755  452.359    46.355  455.329    53.046  442.767    95.347  227.054 13.440  220.734 25.190  6.319931       28.55099 
1 1 1 -5  10 26 f 181.744  10.918  291.020    34.487  297.627    39.342  269.100    71.663  183.573 12.346  171.537 24.633  12.03557       27.55367 
1 1 1 -5  10 27 o 304.158  13.846  815.250    73.533  815.832    89.588  814.046    128.730 303.097 16.996  299.938 24.803  3.159576       30.06755 
1 1 1 -5  10 28 o 89.452   11.326  71.414     17.294  69.664     19.280  78.624     39.127  88.041  12.926  91.874  24.093  -3.833755      27.34196 
1 1 1 -5  10 29 o 231.615  10.923  471.337    44.174  451.356    50.783  533.459    89.544  226.008 12.922  243.396 21.284  -17.38887      24.89950 
1 1 1 -5  10 30 o 61.006   13.784  34.124     14.337  39.504     15.798  9.0005     34.141  65.659  14.193  54.197  22.333  11.46192       26.46194 
1 1 1 -5  10 31 o 581.911  16.743  3005.54    170.123 2839.20    196.299 3507.47    340.988 563.646 19.946  614.872 31.870  -51.22571      37.59706 
1 1 1 -5  10 32 o 144.367  10.540  184.187    26.386  175.495    30.017  213.730    55.340  140.579 12.354  152.955 21.299  -12.37553      24.62286 
1 1 1 -5  10 33 o 139.905  10.251  172.994    24.867  172.267    28.276  175.475    52.245  139.346 11.731  137.847 22.481  1.499176       25.35765 
1 1 1 -5  10 34 o 96.191   13.197  83.253     21.580  79.745     25.645  91.765     39.945  93.399  16.319  98.697  23.514  -5.297531      28.62205 
1 1 1 -5  10 35 o 67.366   13.607  41.584     15.455  43.013     19.830  39.372     24.667  68.134  16.779  65.796  19.830  2.338440       25.97631 
1 1 1 -5  10 36 o 169.179  12.060  254.102    35.392  249.300    43.720  263.231    60.280  166.758 15.182  169.515 20.802  -2.757446      25.75315 
1 1 1 -5  10 37 o 342.773  14.542  1044.91    87.036  1087.23    106.775 961.108    150.251 347.737 17.643  320.649 27.090  27.08795       32.32875 
1 1 1 -5  10 38 o 192.490  15.023  332.266    50.092  329.099    71.498  335.319    70.202  188.723 22.117  190.827 21.440  -2.104187      30.80310 
1 1 1 -5  10 39 o 157.211  12.215  220.310    33.266  206.891    40.978  246.247    56.970  151.288 15.743  163.412 20.412  -12.12408      25.77757 
1 1 1 -5  10 40 o 129.602  10.278  149.231    23.069  126.899    32.208  172.755    33.056  117.922 16.060  138.578 13.847  -20.65559      21.20525 
1 1 1 -5  10 41 o 49.007   14.237  21.919     12.906  19.960     17.684  24.152     18.879  49.096  16.964  52.781  17.535  -3.685280      24.39796 
1 1 1 -5  10 42 o 216.178  10.943  415.165    41.170  370.626    57.996  460.408    58.453  201.954 16.594  226.054 14.893  -24.10072      22.29661 
1 1 1 -5  10 43 o 139.402  10.563  173.165    25.520  168.421    36.116  177.896    36.064  135.904 15.497  139.901 14.998  -3.997299      21.56575 
1 1 1 -5  10 44 o 88.574   11.716  70.997     17.675  89.449     24.772  51.864     25.226  98.661  14.839  73.744  19.349  24.91789       24.38412 
1 1 1 -5  10 45 o 208.907  12.672  391.943    46.005  380.619    56.591  414.009    78.999  204.179 16.002  209.094 21.966  -4.915070      27.17675 
1 1 1 -5  10 46 o 152.258  11.838  208.329    31.223  179.249    53.984  222.947    38.275  135.572 23.666  156.605 14.150  -21.03265      27.57386 
1 1 1 -5  10 47 o 128.760  15.485  152.889    34.117  102.129    46.771  210.610    49.875  100.164 26.378  149.186 19.623  -49.02218      32.87619 
1 1 1 -5  10 48 o 49.703   17.809  20.271     19.617  9.6881     25.695  35.059     30.374  47.323  19.423  62.876  22.199  -15.55326      29.49696 
1 1 1 -5  10 49 o 92.186   17.450  81.053     27.060  63.643     36.537  102.203    40.271  79.678  24.161  100.904 23.324  -21.22599      33.58253 
1 1 1 -5  10 50 o 79.494   17.361  60.858     23.422  0.0000     0.0000  60.858     23.422  ?       ?       79.494  17.361  0.000000       17.36076 
1 1 1 -5  10 51 o 101.206  17.353  97.963     29.561  0.0000     0.0000  97.963     29.561  ?       ?       101.206 17.353  0.000000       17.35277 
1 1 1 -5  10 52 o 41.342   16.729  8.6008     18.736  0.0000     0.0000  8.6008     18.736  ?       ?       41.342  16.729  0.000000       16.72892 
1 1 1 -5  10 53 o 163.759  15.620  251.439    44.121  0.0000     0.0000  251.439    44.121  ?       ?       163.759 15.620  0.000000       15.61981 
1 1 1 -5  10 54 o 87.559   11.852  70.737     17.655  63.809     23.822  79.178     26.297  80.734  17.411  90.211  17.324  -9.476273      24.56142 
1 1 1 -5  10 55 o 51.180   14.802  25.038     13.978  35.429     18.593  11.530     21.199  60.143  16.968  44.396  17.854  15.74664       24.63070 
1 1 1 -5  10 56 o 182.101  10.509  300.770    33.273  243.570    46.356  361.552    47.786  159.129 16.945  196.937 13.988  -37.80836      21.97213 
1 1 1 -5  10 57 o 26.750   11.880  -3.0151    11.094  -5.2893    14.205  0.5419     17.765  29.376  13.215  35.796  15.483  -6.420605      20.35531 
1 1 1 -5  10 58 o 42.758   16.275  13.945     16.823  16.016     20.180  9.2255     30.461  45.949  17.741  48.351  20.580  -2.402283      27.17146 
1 1 1 -5  10 59 o 85.470   14.219  70.209     20.475  87.859     28.025  50.003     29.986  93.587  17.801  68.596  22.056  24.99036       28.34328 
1 1 1 -5  10 60 f 199.651  12.103  370.500    41.992  389.175    58.087  350.057    60.774  199.101 16.867  186.131 18.965  12.97052       25.38045 
1 1 1 -5  11 1  o 198.620  17.054  351.974    58.569  256.087    86.688  432.506    79.444  164.827 31.265  219.182 21.016  -54.35422      37.67162 
1 1 1 -5  11 2  o 168.226  23.933  258.835    68.317  258.835    68.317  0.0000     0.0000  168.226 23.933  ?       ?       0.000000       23.93303 
1 1 1 -5  11 3  o 437.616  22.294  1718.08    169.785 1495.53    241.528 1935.49    238.722 400.493 34.887  459.714 29.903  -59.22116      45.94896 
1 1 1 -5  11 4  o 418.984  17.108  1555.26    125.161 1446.77    153.657 1769.17    215.761 401.647 21.994  440.609 28.193  -38.96176      35.75702 
1 1 1 -5  11 5  o 123.467  14.751  136.395    31.170  82.609     39.905  220.573    49.922  94.132  24.158  156.539 18.630  -62.40708      30.50694 
1 1 1 -5  11 6  o 251.465  13.423  558.628    58.723  571.536    72.758  534.507    99.462  253.602 16.521  242.937 23.752  10.66492       28.93249 
1 1 1 -5  11 7  o 413.149  17.234  1512.63    124.322 1483.07    152.571 1571.05    214.466 406.868 21.553  414.025 29.867  -7.156555      36.83177 
1 1 1 -5  11 8  o 404.104  15.695  1443.53    110.741 1578.18    136.051 1179.18    190.635 421.521 18.485  357.844 30.811  63.67691       35.93030 
1 1 1 -5  11 9  o 359.878  12.708  1140.03    79.852  1403.22    98.567  637.451    136.207 398.872 14.153  262.651 30.253  136.2209       33.39962 
1 1 1 -5  11 10 o 564.252  16.544  2818.80    162.991 2797.82    188.291 2881.51    325.537 560.780 19.230  557.677 33.588  3.103577       38.70336 
1 1 1 -5  11 11 o 337.215  11.842  1000.01    69.727  977.272    80.683  1067.09    138.587 332.908 13.880  344.108 23.201  -11.19952      27.03609 
1 1 1 -5  11 12 o ?        ?       -168.3798  5.3124  -133.8142  7.7862  -198.4835  7.2663  ?       ?       ?       ?       0.000000       ?        
1 1 1 -5  11 13 o 111.463  11.962  110.519    22.917  158.945    31.418  55.458     33.502  133.589 13.662  77.927  23.024  55.66208       26.77217 
1 1 1 -5  11 14 o 178.231  10.889  280.137    33.725  317.746    46.956  240.068    48.467  189.204 14.320  163.656 17.219  25.54810       22.39555 
1 1 1 -5  11 15 o 284.710  13.723  715.035    68.222  694.813    82.938  757.344    119.966 279.371 17.084  289.079 23.984  -9.708160      29.44669 
1 1 1 -5  11 16 o 47.376   14.877  19.632     13.707  17.700     15.115  28.577     32.524  46.354  15.692  62.325  22.845  -15.97132      27.71573 
1 1 1 -5  11 17 o 397.905  15.703  1401.91    109.104 1305.29    133.217 1598.75    190.138 381.777 20.055  419.058 26.115  -37.28094      32.92725 
1 1 1 -5  11 18 o 267.385  12.971  630.374    60.557  574.851    73.505  747.674    106.839 254.010 16.665  288.050 21.395  -34.03941      27.11977 
1 1 1 -5  11 19 o 408.713  16.074  1481.21    114.714 1396.22    140.198 1653.37    199.541 394.465 20.425  425.130 27.021  -30.66525      33.87239 
1 1 1 -5  11 20 o 123.606  12.392  135.972    26.386  141.189    31.379  123.381    48.750  125.529 14.589  114.588 25.063  10.94083       28.99956 
1 1 1 -5  11 21 o 136.394  12.503  165.381    29.446  168.555    35.226  158.018    53.647  137.189 14.948  130.126 24.511  7.063736       28.70901 
1 1 1 -5  11 22 o 167.377  12.047  248.191    34.973  234.076    42.155  279.361    62.642  161.846 15.091  175.219 20.886  -13.37338      25.76787 
1 1 1 -5  11 23 f 177.253  12.270  278.447    37.742  280.762    45.618  273.426    67.193  177.378 14.866  172.529 22.868  4.848892       27.27563 
1 1 1 -5  11 24 o 214.398  10.675  404.625    39.961  393.064    45.879  440.965    81.342  210.627 12.532  220.164 21.431  -9.537521      24.82622 
1 1 1 -5  11 25 o 361.253  15.311  1159.70    96.579  1152.72    117.998 1173.87    168.097 358.044 18.942  355.881 27.259  2.163147       33.19389 
1 1 1 -5  11 26 f 63.535   14.632  37.241     15.897  30.832     18.219  57.687     32.541  58.161  16.921  78.681  22.535  -20.51998      28.18019 
1 1 1 -5  11 27 o 249.309  13.265  552.135    57.538  552.135    57.538  0.0000     0.0000  249.309 13.265  ?       ?       0.000000       13.26544 
1 1 1 -5  11 28 o 203.102  13.912  367.919    49.038  367.919    49.038  0.0000     0.0000  203.102 13.912  ?       ?       0.000000       13.91185 
1 1 1 -5  11 29 o 203.471  12.252  367.775    43.325  367.775    43.325  0.0000     0.0000  203.471 12.252  ?       ?       0.000000       12.25202 
1 1 1 -5  11 30 o 126.348  12.097  142.611    26.362  142.611    26.362  0.0000     0.0000  126.348 12.097  ?       ?       0.000000       12.09717 
1 1 1 -5  11 31 o 39.389   13.758  12.369     11.646  12.369     11.646  0.0000     0.0000  39.389  13.758  ?       ?       0.000000       13.75795 
1 1 1 -5  11 32 o 191.975  11.899  327.979    39.690  327.979    39.690  0.0000     0.0000  191.975 11.899  ?       ?       0.000000       11.89933 
1 1 1 -5  11 33 o 121.668  11.138  132.162    23.400  120.448    26.556  172.844    49.490  115.519 13.415  135.632 21.623  -20.11252      25.44688 
1 1 1 -5  11 34 o 234.594  10.621  487.211    43.506  474.483    49.911  527.474    88.771  230.602 12.442  238.197 21.578  -7.594666      24.90804 
1 1 1 -5  11 35 o 289.773  13.658  751.080    69.105  712.800    84.315  829.419    120.618 279.776 17.345  296.935 23.455  -17.15900      29.17184 
1 1 1 -5  11 36 o 172.270  9.9176  263.488    29.706  245.708    33.855  322.981    61.928  165.768 11.773  186.713 19.273  -20.94504      22.58416 
1 1 1 -5  11 37 o 60.145   14.730  33.852     15.347  15.359     27.270  42.424     18.565  51.544  20.408  67.146  16.053  -15.60220      25.96497 
1 1 1 -5  11 38 o 148.013  11.661  196.510    29.894  167.705    51.309  211.312    36.782  131.630 23.170  152.663 13.953  -21.03340      27.04706 
1 1 1 -5  11 39 o 255.174  11.047  580.170    49.220  511.605    69.672  648.486    69.545  235.848 17.033  267.167 14.968  -31.31938      22.67538 
1 1 1 -5  11 40 o 87.296   11.715  69.287     17.406  76.482     24.556  62.022     24.676  90.310  16.166  80.540  18.000  9.770721       24.19370 
1 1 1 -5  11 41 o 220.334  12.353  437.449    47.331  397.861    81.993  457.234    57.964  201.964 23.702  223.696 14.926  -21.73184      28.00968 
1 1 1 -5  11 42 o 148.715  15.560  204.456    39.807  194.615    56.039  214.479    56.555  140.153 23.748  148.057 22.592  -7.904739      32.77737 
1 1 1 -5  11 43 o 98.981   17.514  93.387     29.162  92.611     39.749  94.293     42.916  95.508  23.895  95.708  25.297  -0.2000809     34.79829 
1 1 1 -5  11 44 o 74.540   24.552  55.253     37.041  0.0000     0.0000  55.253     37.041  ?       ?       74.540  24.552  0.000000       24.55229 
1 1 1 -5  11 45 o 120.372  16.413  136.801    33.598  0.0000     0.0000  136.801    33.598  ?       ?       120.372 16.413  0.000000       16.41321 
1 1 1 -5  11 46 o 89.864   17.673  78.328     26.742  0.0000     0.0000  78.328     26.742  ?       ?       89.864  17.673  0.000000       17.67290 
1 1 1 -5  11 47 o 100.369  17.022  96.972     28.766  0.0000     0.0000  96.972     28.766  ?       ?       100.369 17.022  0.000000       17.02233 
1 1 1 -5  11 48 o 61.844   21.219  36.748     27.644  0.0000     0.0000  36.748     27.644  ?       ?       61.844  21.219  0.000000       21.21919 
1 1 1 -5  11 49 o 67.899   13.731  43.905     15.720  39.942     21.937  48.089     22.538  63.417  18.601  69.419  18.325  -6.001816      26.11127 
1 1 1 -5  11 50 o 31.438   12.740  4.5171     10.883  9.8639     14.169  -3.1775    16.997  38.324  14.846  33.385  14.771  4.938454       20.94260 
1 1 1 -5  11 51 o 108.388  11.059  107.836    20.637  108.659    28.470  106.925    29.957  106.212 15.835  104.646 16.977  1.565903       23.21559 
1 1 1 -5  11 52 o 73.284   13.215  51.100     16.288  46.390     22.788  56.018     23.288  67.519  18.692  74.471  18.089  -6.951950      26.01196 
1 1 1 -5  11 53 o 137.943  11.031  174.844    26.348  179.228    37.234  170.448    37.288  136.099 15.972  132.266 16.505  3.832458       22.96791 
1 1 1 -5  11 54 o 40.998   14.716  14.382     13.399  24.775     19.125  4.3628     18.779  51.091  17.643  38.254  16.216  12.83699       23.96310 
1 1 1 -5  11 55 o 77.809   13.288  58.110     17.405  61.248     24.778  55.054     24.455  76.838  18.655  72.552  19.058  4.286484       26.66898 
1 1 1 -5  11 56 o 69.454   14.174  47.308     16.607  41.120     24.208  52.810     22.826  62.432  19.791  71.182  18.272  -8.749516      26.93600 
1 1 1 -5  12 1  o 340.123  12.992  1024.73    77.157  988.192    89.255  1132.78    153.485 333.056 15.348  349.884 25.294  -16.82767      29.58610 
1 1 1 -5  12 2  o 407.677  16.395  1484.61    116.702 1484.61    116.702 0.0000     0.0000  407.677 16.395  ?       ?       0.000000       16.39455 
1 1 1 -5  12 3  o 379.893  13.780  1280.53    91.405  1237.30    105.675 1408.96    182.145 372.255 16.258  388.974 26.985  -16.71890      31.50452 
1 1 1 -5  12 4  o 283.643  11.735  710.699    58.121  698.164    67.266  747.624    115.451 280.525 13.733  285.184 23.391  -4.659546      27.12432 
1 1 1 -5  12 5  o 116.955  12.765  122.464    25.644  104.680    32.212  153.239    42.374  106.701 17.925  129.124 19.394  -22.42310      26.40912 
1 1 1 -5  12 6  o 109.962  12.332  108.233    23.270  109.085    29.682  106.875    37.486  109.504 15.996  106.993 20.815  2.511093       26.25099 
1 1 1 -5  12 7  o 140.811  12.281  176.650    29.892  168.309    37.511  191.163    49.479  136.453 16.051  144.188 20.208  -7.735443      25.80682 
1 1 1 -5  12 8  o 58.566   14.285  31.675     14.478  61.805     20.224  0.0000     20.736  82.205  14.626  39.562  16.913  42.64334       22.35993 
1 1 1 -5  12 9  o 411.558  16.813  1515.87    120.817 1396.46    148.237 1752.14    208.512 391.250 21.785  432.733 27.742  -41.48282      35.27372 
1 1 1 -5  12 10 o 190.968  10.561  322.533    35.078  316.396    40.784  339.981    68.763  188.664 12.450  192.648 20.771  -3.984085      24.21645 
1 1 1 -5  12 11 o 357.352  13.209  1132.65    82.419  1111.99    95.329  1193.80    164.017 353.053 15.464  357.736 26.446  -4.682739      30.63504 
1 1 1 -5  12 12 o 214.816  11.190  408.616    41.825  377.074    48.577  499.019    82.239  205.639 13.606  233.849 20.344  -28.21042      24.47412 
1 1 1 -5  12 13 o 67.449   11.923  41.401     13.528  42.461     18.595  40.210     19.719  67.610  16.001  65.751  17.037  1.859039       23.37259 
1 1 1 -5  12 14 o 208.045  10.530  382.871    38.128  384.999    53.493  380.673    54.361  207.290 14.878  205.993 15.222  1.296524       21.28519 
1 1 1 -5  12 15 o 273.756  11.578  662.987    55.345  634.683    63.659  750.618    112.011 266.814 13.711  285.263 22.675  -18.44885      26.49800 
1 1 1 -5  12 16 o 218.514  10.773  421.787    41.103  382.638    47.133  546.084    83.985  207.159 13.098  244.541 19.840  -37.38182      23.77374 
1 1 1 -5  12 17 o 137.030  10.513  166.765    24.962  163.706    28.343  177.343    52.706  135.383 12.118  137.313 22.781  -1.929489      25.80378 
1 1 1 -5  12 18 o 42.800   13.882  15.863     11.859  15.863     11.859  0.0000     0.0000  42.800  13.882  ?       ?       0.000000       13.88206 
1 1 1 -5  12 19 o 205.076  12.817  375.233    45.664  375.233    45.664  0.0000     0.0000  205.076 12.817  ?       ?       0.000000       12.81691 
1 1 1 -5  12 20 o 187.851  12.099  314.488    39.473  314.488    39.473  0.0000     0.0000  187.851 12.099  ?       ?       0.000000       12.09883 
1 1 1 -5  12 21 o 300.804  17.956  822.821    93.879  822.821    93.879  0.0000     0.0000  300.804 17.956  ?       ?       0.000000       17.95588 
1 1 1 -5  12 22 o 104.328  12.174  97.997     21.759  97.997     21.759  0.0000     0.0000  104.328 12.174  ?       ?       0.000000       12.17374 
1 1 1 -5  12 23 o 178.215  12.359  283.999    38.219  283.999    38.219  0.0000     0.0000  178.215 12.359  ?       ?       0.000000       12.35859 
1 1 1 -5  12 24 o 158.307  12.065  224.269    33.099  224.269    33.099  0.0000     0.0000  158.307 12.065  ?       ?       0.000000       12.06530 
1 1 1 -5  12 25 o 156.620  10.576  218.432    28.753  211.256    32.880  241.758    59.280  153.462 12.376  160.037 21.780  -6.575653      25.05023 
1 1 1 -5  12 26 o 88.453   11.529  70.721     17.383  68.631     19.559  78.577     37.922  86.618  13.362  89.628  23.823  -3.010040      27.31449 
1 1 1 -5  12 27 o 31.932   12.659  5.0986     10.506  10.820     11.398  -27.2012   27.082  37.638  13.566  35.691  16.812  1.946709       21.60228 
1 1 1 -5  12 28 o 133.962  11.545  161.089    26.741  133.189    31.703  229.887    49.784  120.391 15.437  157.160 18.496  -36.76889      24.09168 
1 1 1 -5  12 29 o 175.297  11.944  275.820    36.340  237.630    43.648  362.102    65.607  161.030 15.724  196.854 19.337  -35.82448      24.92322 
1 1 1 -5  12 30 o 130.179  12.444  153.204    27.940  146.096    33.252  170.278    51.534  125.948 15.444  132.172 23.175  -6.224030      27.84954 
1 1 1 -5  12 31 o 157.329  12.006  222.977    32.732  196.066    39.305  283.866    59.123  145.891 15.676  173.261 19.905  -27.37007      25.33612 
1 1 1 -5  12 32 o 37.907   14.330  9.8285     12.986  12.363     14.564  0.0000     28.683  41.059  15.246  45.343  19.642  -4.283852      24.86475 
1 1 1 -5  12 33 o 108.596  13.308  108.049    24.706  119.075    29.207  80.316     46.322  113.328 15.138  88.367  27.283  24.96156       31.20115 
1 1 1 -5  12 34 o 96.405   13.018  85.399     21.353  79.758     24.885  101.148    41.581  91.948  16.086  99.876  24.116  -7.928108      28.98870 
1 1 1 -5  12 35 o 25.042   10.842  -0.8492    8.7286  -0.9328    9.4113  -0.3353    23.345  25.963  11.249  40.843  17.707  -14.87988      20.97808 
1 1 1 -5  12 36 f 145.562  11.939  192.358    30.077  176.366    35.789  230.818    55.499  137.761 15.127  153.612 21.262  -15.85141      26.09424 
1 1 1 -5  12 37 o 37.017   15.326  4.7387     16.183  19.708     21.445  -15.0587   24.662  49.788  18.497  36.463  16.788  13.32410       24.97924 
1 1 1 -5  12 38 o 93.886   25.545  93.351     42.991  0.0000     0.0000  93.351     42.991  ?       ?       93.886  25.545  0.000000       25.54482 
1 1 1 -5  12 39 o 91.336   25.565  89.073     42.381  0.0000     0.0000  89.073     42.381  ?       ?       91.336  25.565  0.000000       25.56466 
1 1 1 -5  12 40 o 102.345  16.600  100.652    28.649  0.0000     0.0000  100.652    28.649  ?       ?       102.345 16.600  0.000000       16.60046 
1 1 1 -5  12 41 o 56.452   18.369  30.552     20.757  0.0000     0.0000  30.552     20.757  ?       ?       56.452  18.369  0.000000       18.36882 
1 1 1 -5  12 42 o 41.331   16.047  11.691     16.582  0.0000     0.0000  11.691     16.582  ?       ?       41.331  16.047  0.000000       16.04699 
1 1 1 -5  12 43 o 100.991  11.277  93.855     19.546  63.975     27.295  125.309    28.005  79.088  19.808  115.243 14.219  -36.15505      24.38315 
1 1 1 -5  12 44 o 74.454   13.063  52.543     16.363  50.374     22.899  54.807     23.390  70.543  18.399  73.661  18.274  -3.117744      25.93200 
1 1 1 -5  12 45 o 50.491   14.667  24.669     13.698  47.323     19.460  2.4212     19.285  69.039  16.388  37.895  16.259  31.14357       23.08510 
1 1 1 -5  12 46 o 71.824   13.254  49.333     16.009  37.668     22.515  61.261     22.767  60.911  19.056  78.196  17.147  -17.28565      25.63522 
1 1 1 -5  12 47 o 127.696  10.993  150.309    24.271  98.173     33.939  204.883    34.723  96.645  20.733  147.190 13.667  -50.54448      24.83232 
1 1 1 -5  12 48 o 25.148   11.578  -7.5407    11.732  4.0955     15.694  -22.2834   17.665  35.457  14.916  26.956  12.942  8.501499       19.74777 
1 1 1 -5  12 49 o 73.391   14.210  52.634     17.552  38.454     24.074  68.725     25.645  60.723  19.783  81.418  18.464  -20.69463      27.06143 
1 1 1 -5  12 50 o 84.141   12.979  67.924     18.454  44.278     25.613  93.451     26.612  64.210  20.358  96.611  16.360  -32.40072      26.11644 
1 1 1 -5  12 51 o 49.533   15.440  24.387     14.795  29.892     20.509  18.413     21.364  54.196  18.279  46.920  18.215  7.276382       25.80533 
1 1 1 -5  13 1  o 276.796  17.042  703.854    81.965  714.080    116.702 693.899    115.147 271.368 24.908  267.445 24.946  3.923248       35.25155 
1 1 1 -5  13 2  o 342.681  13.106  1054.75    78.417  1000.03    90.639  1217.60    156.366 331.702 15.650  354.068 25.463  -22.36603      29.88737 
1 1 1 -5  13 3  o 52.619   14.355  25.823     13.554  38.437     16.874  2.8802     22.757  63.887  15.324  42.163  17.861  21.72403       23.53367 
1 1 1 -5  13 4  o 250.740  11.413  560.826    49.967  555.768    58.082  575.227    98.010  248.253 13.450  245.127 23.174  3.125763       26.79394 
1 1 1 -5  13 5  o 108.446  11.030  105.768    20.595  114.644    24.740  85.733     37.169  112.388 12.838  93.351  22.962  19.03717       26.30671 
1 1 1 -5  13 6  o 72.420   14.404  48.898     17.573  40.382     22.947  60.976     27.326  65.254  18.991  79.516  19.767  -14.26182      27.41169 
1 1 1 -5  13 7  o 46.589   14.515  19.599     13.078  13.435     17.561  27.277     19.597  44.022  16.658  54.965  17.847  -10.94321      24.41318 
1 1 1 -5  13 8  o 69.577   14.029  45.108     16.455  44.088     20.231  47.103     28.283  68.113  17.050  70.200  21.251  -2.086761      27.24581 
1 1 1 -5  13 9  o 81.702   13.376  61.470     18.422  44.916     22.519  94.968     32.032  68.559  18.419  99.829  19.072  -31.27029      26.51398 
1 1 1 -5  13 10 o 82.161   13.336  62.146     18.476  57.835     22.663  70.687     31.902  78.061  17.100  85.069  21.475  -7.008347      27.45149 
1 1 1 -5  13 11 o 119.992  11.999  130.043    24.803  141.595    30.583  107.845    42.395  124.401 14.342  104.323 23.800  20.07860       27.78768 
1 1 1 -5  13 12 o 264.228  16.828  642.325    77.236  571.990    109.513 711.932    108.945 240.477 26.523  272.211 23.141  -31.73459      35.19862 
1 1 1 -5  13 13 o 63.005   15.879  37.587     17.462  55.025     26.266  23.775     23.376  75.405  19.724  53.850  19.424  21.55513       27.68262 
1 1 1 -5  13 14 o 172.289  15.167  271.888    45.162  242.290    64.576  300.223    63.183  157.022 24.341  177.628 20.764  -20.60588      31.99403 
1 1 1 -5  13 15 o 54.584   15.938  27.860     16.138  29.777     18.863  22.627     31.170  56.571  17.401  56.764  22.012  -0.1936340     28.05870 
1 1 1 -5  13 16 o 169.182  12.576  258.742    36.886  259.642    44.737  256.832    65.187  168.056 15.418  161.812 23.782  6.243240       28.34192 
1 1 1 -5  13 17 o 133.898  12.296  162.398    28.426  136.187    34.218  220.762    51.061  120.692 16.684  152.377 19.649  -31.68475      25.77655 
1 1 1 -5  13 18 o 129.995  10.618  151.811    23.890  142.588    27.282  182.143    49.475  125.220 12.651  137.097 21.364  -11.87702      24.82898 
1 1 1 -5  13 19 o 102.315  11.084  94.719     19.485  89.242     22.018  114.497    41.841  98.595  13.115  107.152 23.048  -8.557228      26.51796 
1 1 1 -5  13 20 o 132.689  10.863  158.533    24.948  148.669    28.432  191.541    52.011  127.660 12.934  139.907 22.019  -12.24727      25.53624 
1 1 1 -5  13 21 o 62.987   13.375  37.239     14.255  35.006     15.960  46.049     31.699  60.670  15.120  69.095  22.711  -8.424957      27.28328 
1 1 1 -5  13 22 o 113.586  10.935  116.657    21.420  114.409    24.447  124.088    44.445  111.795 12.752  110.788 23.693  1.006386       26.90643 
1 1 1 -5  13 23 o 147.773  10.703  196.687    27.430  207.459    31.447  162.417    56.088  151.193 12.011  124.867 26.543  26.32629       29.13411 
1 1 1 -5  13 24 o 48.065   14.510  21.489     13.199  15.335     14.740  46.395     29.653  43.255  15.444  68.745  21.916  -25.49017      26.81062 
1 1 1 -5  13 25 o 181.375  10.764  296.472    33.938  289.649    38.978  317.855    69.002  178.243 12.605  178.852 22.600  -0.6093445     25.87776 
1 1 1 -5  13 26 f 38.513   14.016  11.578     12.211  13.915     13.568  1.6121     28.017  41.345  14.811  44.892  19.430  -3.546753      24.43153 
1 1 1 -5  13 27 o 75.563   12.984  53.373     16.513  62.911     18.538  16.715     36.342  82.013  13.409  55.502  22.972  26.51133       26.59919 
1 1 1 -5  13 28 o 91.415   12.981  77.672     20.137  70.725     23.393  97.552     39.571  85.756  16.217  96.746  23.629  -10.98950      28.65841 
1 1 1 -5  13 29 o 188.457  11.004  321.967    36.053  295.553    41.254  407.354    74.173  179.027 13.292  202.359 21.313  -23.33186      25.11812 
1 1 1 -5  13 30 o 147.044  12.623  199.096    32.094  210.814    38.485  172.337    58.156  149.843 14.907  125.552 27.306  24.29111       31.10993 
1 1 1 -5  13 31 o 61.639   15.081  36.838     16.098  25.428     18.345  75.040     33.567  52.096  17.284  84.700  22.366  -32.60369      28.26647 
1 1 1 -5  13 32 o 37.479   14.534  9.3182     13.591  6.0028     15.332  21.482     29.368  36.688  15.024  53.615  21.194  -16.92694      25.97932 
1 1 1 -5  13 33 o 154.385  12.780  220.912    34.142  217.882    41.109  227.649    61.299  151.044 15.822  145.828 24.972  5.215744       29.56277 
1 1 1 -5  13 34 o 39.271   16.328  6.2257     18.478  -3.5934    23.853  20.960     29.219  39.114  17.392  52.975  21.077  -13.86066      27.32670 
1 1 1 -5  13 35 o 60.199   23.025  33.288     33.774  0.0000     0.0000  33.288     33.774  ?       ?       60.199  23.025  0.000000       23.02480 
1 1 1 -5  13 36 o 102.062  17.061  102.883    29.330  78.847     39.378  132.835    43.958  83.718  25.015  110.949 23.426  -27.23129      34.27150 
1 1 1 -5  13 37 o 123.562  13.054  143.585    27.737  135.962    32.803  162.706    51.956  117.880 16.380  120.602 25.472  -2.721939      30.28382 
1 1 1 -5  13 38 o 112.073  11.103  116.200    21.442  105.344    24.185  156.070    46.349  105.303 13.462  120.279 22.906  -14.97545      26.56870 
1 1 1 -5  13 39 o 34.877   14.745  3.4417     15.462  10.866     18.222  -15.6427   29.216  41.302  16.573  38.787  18.003  2.514587       24.47009 
1 1 1 -5  13 40 o 137.369  13.086  178.608    31.008  182.695    38.173  170.680    53.167  136.055 16.399  121.735 25.814  14.32000       30.58227 
1 1 1 -5  13 41 f 80.101   16.111  64.380     21.752  49.405     26.144  98.065     39.210  67.691  20.418  92.486  24.054  -24.79572      31.55116 
1 1 1 -5  13 42 o 46.964   16.699  20.596     17.217  16.073     20.393  31.820     32.125  45.232  17.730  57.356  22.317  -12.12378      28.50253 
1 1 1 -5  13 43 f 56.336   16.750  32.607     17.687  20.698     20.645  65.465     34.292  47.985  18.085  74.867  23.534  -26.88168      29.67999 
1 1 1 -5  13 44 o 54.008   15.224  29.571     14.975  30.410     21.149  28.728     21.206  54.334  18.561  53.182  18.566  1.152744       26.25261 
1 1 1 -5  13 45 o 96.343   14.106  91.299     23.026  21.240     38.939  128.970    28.554  53.818  23.097  114.252 14.651  -60.43396      27.35141 
1 1 1 -5  14 1  o 110.552  12.926  113.616    24.481  113.163    30.061  114.510    42.186  108.416 16.391  104.045 23.745  4.371017       28.85295 
1 1 1 -5  14 2  o 77.490   15.474  57.993     20.204  57.993     20.204  0.0000     0.0000  77.490  15.474  ?       ?       0.000000       15.47398 
1 1 1 -5  14 3  o 63.226   16.722  39.316     18.744  39.316     18.744  0.0000     0.0000  63.226  16.722  ?       ?       0.000000       16.72208 
1 1 1 -5  14 4  o 61.235   22.452  34.820     31.416  34.820     31.416  0.0000     0.0000  61.235  22.452  ?       ?       0.000000       22.45201 
1 1 1 -5  14 5  o 213.195  24.967  477.249    91.181  477.249    91.181  0.0000     0.0000  213.195 24.967  ?       ?       0.000000       24.96694 
1 1 1 -5  14 6  o 175.858  24.222  322.490    72.404  322.490    72.404  0.0000     0.0000  175.858 24.222  ?       ?       0.000000       24.22239 
1 1 1 -5  14 7  o 129.379  13.451  155.852    29.942  124.798    37.452  210.854    49.843  111.619 19.949  145.483 20.163  -33.86433      28.36396 
1 1 1 -5  14 8  f 126.210  10.876  145.234    23.733  145.512    27.732  144.474    45.876  125.294 12.859  117.748 23.139  7.545677       26.47145 
1 1 1 -5  14 9  o 204.189  11.111  379.379    39.466  369.039    45.883  408.782    77.371  199.702 13.234  200.044 22.544  -0.3417816     26.14103 
1 1 1 -5  14 10 o 89.845   11.854  74.747     18.142  67.902     21.562  91.338     33.569  84.049  15.254  94.415  20.914  -10.36646      25.88562 
1 1 1 -5  14 11 o 256.445  11.684  599.744    52.316  592.586    60.768  620.239    102.831 252.445 13.839  243.127 24.560  9.318008       28.19041 
1 1 1 -5  14 12 o 189.549  10.874  326.865    35.838  323.398    41.731  336.605    69.951  187.054 12.855  180.935 22.637  6.118378       26.03230 
1 1 1 -5  14 13 o 141.410  10.898  182.457    26.702  175.163    31.364  201.666    50.901  137.138 13.264  140.714 21.390  -3.575974      25.16917 
1 1 1 -5  14 14 o 87.630   13.709  72.661     20.289  72.661     20.289  0.0000     0.0000  87.630  13.709  ?       ?       0.000000       13.70923 
1 1 1 -5  14 15 o 197.146  11.154  354.866    38.237  340.924    43.873  398.920    77.986  191.560 13.197  195.603 23.292  -4.042450      26.77083 
1 1 1 -5  14 16 o 39.778   13.980  13.532     12.033  8.7157     13.205  37.120     29.221  36.638  14.293  61.533  21.769  -24.89455      26.04177 
1 1 1 -5  14 17 o 55.839   14.492  30.320     14.253  35.656     15.938  9.0151     31.848  60.355  15.148  49.133  20.982  11.22200       25.87813 
1 1 1 -5  14 18 o 62.867   13.536  38.016     14.419  22.033     16.089  103.218    32.496  48.531  16.191  101.088 19.111  -52.55673      25.04731 
1 1 1 -5  14 19 o 159.456  11.064  233.056    30.614  224.542    35.182  259.607    62.129  155.028 13.120  156.429 23.471  -1.401535      26.88887 
1 1 1 -5  14 20 o 30.210   13.283  -1.8878    13.542  -4.3322    15.671  5.3187     26.908  31.317  13.999  44.579  19.168  -13.26260      23.73548 
1 1 1 -5  14 21 o 55.045   16.710  29.949     17.469  9.7128     20.727  79.562     32.454  42.542  17.451  86.434  21.573  -43.89130      27.74735 
1 1 1 -5  14 22 o 120.844  18.023  145.856    36.865  133.366    54.507  156.386    50.049  105.073 28.836  118.727 24.936  -13.65372      38.12254 
1 1 1 -5  14 23 o 156.864  17.084  242.233    46.035  183.855    66.626  295.563    63.680  120.636 31.345  167.049 22.396  -46.41272      38.52413 
1 1 1 -5  14 24 o 58.706   19.882  34.869     24.263  50.938     36.753  22.457     32.302  68.405  24.391  54.068  21.935  14.33730       32.80315 
1 1 1 -5  14 25 o 81.667   20.212  70.691     28.667  2.2421     41.937  130.729    39.276  51.033  22.850  111.278 20.984  -60.24436      31.02350 
1 1 1 -5  14 26 f 94.174   19.105  91.921     30.341  60.635     43.604  121.286    42.245  72.394  26.465  104.233 23.742  -31.83927      35.55418 
1 1 1 -5  14 27 o 73.017   20.184  57.141     26.593  44.877     38.560  68.264     36.723  64.912  24.656  76.943  24.374  -12.03120      34.66972 
1 1 1 -5  14 28 o 74.010   15.666  54.790     19.614  38.758     23.289  93.897     36.374  60.819  19.426  91.631  22.821  -30.81235      29.96924 
1 1 1 -5  14 29 o 103.201  16.790  107.122    29.216  86.861     39.092  132.758    43.972  85.940  24.724  108.168 23.917  -22.22772      34.39880 
1 1 1 -5  14 30 o 90.649   18.137  85.157     27.705  86.415     37.045  83.561     41.734  86.321  23.806  82.715  25.956  3.606392       35.21997 
1 1 1 -5  14 31 o 61.644   18.471  40.152     21.447  32.763     29.080  48.963     31.756  57.002  21.468  65.977  22.737  -8.975445      31.27029 
1 1 1 -5  14 32 o 28.023   11.957  1.2194     10.326  -4.9797    11.097  41.266     28.204  25.380  11.523  61.511  21.414  -36.13061      24.31762 
1 1 1 -5  14 33 o 25.760   11.365  -1.6418    9.9942  -4.4186    10.991  11.621     24.020  25.500  11.533  44.351  18.543  -18.85101      21.83662 
1 1 1 -5  14 34 o 66.566   13.608  43.850     15.283  32.553     16.947  93.047     35.366  56.075  16.321  89.708  22.591  -33.63342      27.87033 
1 1 1 -5  14 35 o 107.171  11.865  109.414    21.830  108.018    24.620  114.551    47.215  105.031 13.755  93.437  27.256  11.59351       30.53007 
1 1 1 -5  14 36 o 104.623  11.934  104.699    21.411  98.283     24.085  128.883    46.759  99.555  14.263  100.421 26.340  -0.8649979     29.95402 
1 1 1 -5  14 37 f 97.648   12.446  92.289     20.738  98.960     23.338  67.253     45.208  100.160 13.704  70.610  26.726  29.54958       30.03473 
1 1 1 -5  14 38 o 44.904   15.336  19.966     14.437  21.163     16.034  14.842     33.182  46.145  16.142  48.627  21.096  -2.481510      26.56289 
1 1 1 -5  15 1  o 152.504  11.058  218.008    29.245  175.923    33.743  345.076    58.631  133.473 14.724  181.038 18.823  -47.56557      23.89751 
1 1 1 -5  15 2  o 135.365  11.339  172.492    26.553  142.572    30.796  259.196    52.425  119.785 15.057  155.605 19.739  -35.82092      24.82612 
1 1 1 -5  15 3  o 65.588   15.063  43.660     16.887  59.859     19.506  -4.8193    33.744  77.130  15.024  43.581  19.905  33.54820       24.93814 
1 1 1 -5  15 4  f 36.509   14.263  9.6233     13.163  -7.5741    15.508  53.954     24.898  29.222  13.401  70.033  19.592  -40.81139      23.73703 
1 1 1 -5  15 5  o 69.615   14.417  48.492     16.948  48.355     20.562  48.782     29.932  67.725  17.320  65.288  22.082  2.437325       28.06420 
1 1 1 -5  15 6  o 158.605  11.046  235.497    30.399  236.369    35.431  233.065    59.175  156.840 13.057  140.243 25.086  16.59694       28.28086 
1 1 1 -5  15 7  o 137.988  11.203  178.819    26.758  177.697    31.343  181.837    51.387  135.528 13.421  124.218 24.563  11.30992       27.99022 
1 1 1 -5  15 8  o 75.946   15.586  58.632     19.976  58.632     19.976  0.0000     0.0000  75.946  15.586  ?       ?       0.000000       15.58641 
1 1 1 -5  15 9  o 69.898   16.736  50.935     20.156  50.935     20.156  0.0000     0.0000  69.898  16.736  ?       ?       0.000000       16.73626 
1 1 1 -5  15 10 o 92.975   24.707  105.112    40.795  105.112    40.795  0.0000     0.0000  92.975  24.707  ?       ?       0.000000       24.70725 
1 1 1 -5  15 11 o 46.737   19.040  16.627     24.461  16.627     24.461  0.0000     0.0000  46.737  19.040  ?       ?       0.000000       19.04008 
1 1 1 -5  15 12 o 73.630   23.499  65.284     34.086  65.284     34.086  0.0000     0.0000  73.630  23.499  ?       ?       0.000000       23.49944 
1 1 1 -5  15 13 f 82.393   18.841  73.292     26.515  73.292     26.515  0.0000     0.0000  82.393  18.841  ?       ?       0.000000       18.84069 
1 1 1 -5  15 14 o 174.199  13.814  295.606    41.673  295.606    41.673  0.0000     0.0000  174.199 13.814  ?       ?       0.000000       13.81424 
1 1 1 -5  15 15 o 68.340   19.134  51.404     23.737  51.404     23.737  0.0000     0.0000  68.340  19.134  ?       ?       0.000000       19.13382 
1 1 1 -5  15 16 o 45.207   17.163  18.363     18.679  18.363     18.679  0.0000     0.0000  45.207  17.163  ?       ?       0.000000       17.16306 
1 1 1 -5  15 17 o 69.510   16.520  50.634     19.755  42.086     23.762  69.762     35.545  61.559  19.618  75.046  24.002  -13.48737      30.99904 
1 1 1 -5  15 18 o 32.647   13.696  4.1960     13.173  -2.8545    15.017  27.733     27.438  30.616  13.694  52.854  20.608  -22.23809      24.74274 
1 1 1 -5  15 19 o 82.073   12.626  65.641     17.514  64.726     19.775  68.968     37.719  80.087  14.683  73.439  24.789  6.647964       28.81118 
1 1 1 -5  15 20 o 132.625  10.935  165.998    25.098  164.502    28.714  170.840    51.659  130.273 12.788  116.199 26.099  14.07437       29.06380 
1 1 1 -5  15 21 o 66.686   14.216  45.055     16.047  38.867     18.015  68.826     35.307  60.448  16.573  73.821  23.954  -13.37331      29.12834 
1 1 1 -5  15 22 o 31.650   12.975  5.2191     11.448  6.8562     12.407  -4.1623    29.701  33.626  13.611  40.786  18.646  -7.159790      23.08516 
1 1 1 -5  15 23 o 78.892   18.375  68.345     24.841  49.341     32.417  95.377     38.663  63.505  22.879  86.386  24.502  -22.88044      33.52286 
1 1 1 -5  15 24 o 41.833   16.441  14.623     17.577  7.8180     22.144  26.212     28.897  40.602  17.421  51.615  20.814  -11.01385      27.14254 
1 1 1 -5  15 25 o 62.654   18.711  44.327     22.036  23.279     29.057  72.816     33.806  50.142  20.626  75.735  23.295  -25.59281      31.11409 
1 1 1 -5  15 26 o 56.006   14.776  32.774     14.659  21.683     16.429  76.067     32.460  46.222  16.326  78.170  22.541  -31.94858      27.83206 
1 1 1 -5  15 27 o 38.884   14.161  13.923     12.468  10.693     13.750  28.866     29.575  37.001  14.542  52.377  21.080  -15.37603      25.60873 
1 1 1 -5  15 28 o 61.822   14.341  39.698     15.180  29.221     16.957  81.996     34.070  51.948  16.574  79.926  23.107  -27.97746      28.43596 
1 1 1 -5  15 29 o 60.871   15.068  39.282     15.929  34.065     18.312  55.511     32.297  55.381  17.163  65.106  22.902  -9.725353      28.61896 
1 1 1 -5  16 1  o 86.369   22.338  98.891     33.939  30.756     49.586  158.942    46.552  52.357  23.993  104.949 25.626  -52.59280      35.10495 
1 1 1 -5  16 2  o 61.542   21.367  50.801     28.071  70.998     47.165  39.722     34.932  64.050  26.305  54.593  22.553  9.457756       34.64961 
1 1 1 -5  16 3  o 80.666   17.129  73.708     23.380  82.479     30.520  61.250     36.374  79.741  21.451  63.761  24.010  15.97998       32.19688 
1 1 1 -5  16 4  o 58.252   18.416  40.918     20.972  35.935     28.588  46.725     30.860  53.364  20.969  58.432  22.090  -5.068924      30.45774 
1 1 1 -5  16 5  o 37.552   15.388  10.870     16.095  21.251     23.323  1.4328     22.238  45.694  18.601  36.600  16.493  9.094296       24.85950 
1 1 1 -5  16 6  o 24.174   11.149  -5.6443    10.943  -7.7603    13.132  -0.8370    19.794  25.759  11.994  34.216  15.476  -8.456427      19.57977 
1 1 1 -5  16 7  o 102.662  12.203  105.661    21.447  101.610    25.059  116.754    41.466  97.363  15.240  88.916  25.429  8.446602       29.64590 
1 1 1 -5  16 8  f 37.794   14.509  13.062     13.443  9.0864     15.322  26.351     28.012  36.052  14.919  48.824  20.185  -12.77185      25.09981 
1 1 1 -5  16 9  o 50.647   15.987  28.768     15.810  13.835     18.696  66.244     29.617  40.385  16.571  70.142  21.842  -29.75714      27.41647 
1 1 1 -5  16 10 o 85.095   14.977  77.562     21.441  77.682     25.981  77.304     37.962  80.851  18.765  70.717  24.832  10.13364       31.12474 
1 1 1 -5  16 11 o 114.880  13.516  136.109    26.593  118.749    32.349  172.288    46.702  99.957  19.233  111.474 24.648  -11.51618      31.26422 
1 1 1 -5  16 12 o 144.123  16.568  229.797    40.935  229.797    40.935  0.0000     0.0000  144.123 16.568  ?       ?       0.000000       16.56788 
1 1 1 -5  16 13 o 16.815   8.3060  -17.8748   8.8848  -17.8748   8.8848  0.0000     0.0000  16.815  8.3060  ?       ?       0.000000       8.305980 
1 1 1 -4  0  1  o 43.567   16.069  22.188     11.321  22.188     11.321  22.188     11.321  43.567  16.069  43.567  16.069  0.000000       0.000000 
1 1 1 -4  0  2  o 770.765  31.486  5232.29    422.137 5232.29    422.137 5232.29    422.137 770.765 31.486  770.765 31.486  0.000000       0.000000 
1 1 1 -4  0  3  o 159.850  14.105  228.414    38.663  228.414    38.663  228.414    38.663  159.850 14.105  159.850 14.105  0.000000       0.000000 
1 1 1 -4  0  4  o 31.141   14.186  12.306     8.3689  12.306     8.3689  12.306     8.3689  31.141  14.186  31.141  14.186  0.000000       0.000000 
1 1 1 -4  0  5  o 257.562  15.829  586.260    70.571  586.260    70.571  586.260    70.571  257.562 15.829  257.562 15.829  0.000000       0.000000 
1 1 1 -4  0  6  o 120.077  21.499  137.538    40.774  137.538    40.774  137.538    40.774  120.077 21.499  120.077 21.499  0.000000       0.000000 
1 1 1 -4  0  7  o 361.243  18.410  1149.69    115.436 1149.69    115.436 1149.69    115.436 361.243 18.410  361.243 18.410  0.000000       0.000000 
1 1 1 -4  0  8  o 174.160  14.285  270.329    42.767  270.329    42.767  270.329    42.767  174.160 14.285  174.160 14.285  0.000000       0.000000 
1 1 1 -4  0  9  o 834.948  33.673  6144.65    489.100 6144.65    489.100 6144.65    489.100 834.948 33.673  834.948 33.673  0.000000       0.000000 
1 1 1 -4  0  10 o 318.998  24.834  906.745    136.397 906.745    136.397 906.745    136.397 318.998 24.834  318.998 24.834  0.000000       0.000000 
1 1 1 -4  0  11 o 218.255  12.984  420.579    49.082  420.579    49.082  420.579    49.082  218.255 12.984  218.255 12.984  0.000000       0.000000 
1 1 1 -4  0  12 o 443.038  20.237  1727.51    155.807 1727.51    155.807 1727.51    155.807 443.038 20.237  443.038 20.237  0.000000       0.000000 
1 1 1 -4  0  13 o 1096.41  43.120  10635.92   822.591 10635.92   822.591 10635.92   822.591 1096.41 43.120  1096.41 43.120  0.000000       0.000000 
1 1 1 -4  0  14 o 503.493  22.590  2232.08    197.682 2232.08    197.682 2232.08    197.682 503.493 22.590  503.493 22.590  0.000000       0.000000 
1 1 1 -4  0  15 o 1390.27  54.204  17208.07   1311.27 17208.07   1311.27 17208.07   1311.27 1390.27 54.204  1390.27 54.204  0.000000       0.000000 
1 1 1 -4  0  16 o 444.713  20.812  1742.01    160.797 1742.01    160.797 1742.01    160.797 444.713 20.812  444.713 20.812  0.000000       0.000000 
1 1 1 -4  0  17 o 395.905  27.800  1394.64    189.996 1394.64    189.996 1394.64    189.996 395.905 27.800  395.905 27.800  -0.000000      0.000000 
1 1 1 -4  0  18 o 1172.74  66.734  12458.35   1356.38 12458.35   1356.38 12458.35   1356.38 1172.74 66.734  1172.74 66.734  0.000000       0.000000 
1 1 1 -4  0  19 o 273.402  23.321  669.083    109.468 669.083    109.468 669.083    109.468 273.402 23.321  273.402 23.321  0.000000       0.000000 
1 1 1 -4  0  20 o 907.936  52.567  7418.04    826.972 7418.04    826.972 7418.04    826.972 907.936 52.567  907.936 52.567  -0.000000      0.000000 
1 1 1 -4  0  21 o 75.806   23.119  62.524     26.729  62.524     26.729  62.524     26.729  75.806  23.119  75.806  23.119  -0.000000      0.000000 
1 1 1 -4  0  22 o 194.026  21.318  341.692    70.001  341.692    70.001  341.692    70.001  194.026 21.318  194.026 21.318  0.000000       0.000000 
1 1 1 -4  0  23 o 878.977  51.339  6987.86    781.785 6987.86    781.785 6987.86    781.785 878.977 51.339  878.977 51.339  0.000000       0.000000 
1 1 1 -4  0  24 o 110.607  22.031  119.124    37.777  119.124    37.777  119.124    37.777  110.607 22.031  110.607 22.031  -0.000000      0.000000 
1 1 1 -4  0  25 o 156.819  20.977  226.969    54.556  226.969    54.556  226.969    54.556  156.819 20.977  156.819 20.977  -0.000000      0.000000 
1 1 1 -4  0  26 o 553.071  34.944  2743.50    334.364 2743.50    334.364 2743.50    334.364 553.071 34.944  553.071 34.944  -0.000000      0.000000 
1 1 1 -4  0  27 o 3.9066   2.8881  -5.1632    1.5390  -5.1632    1.5390  -5.1632    1.5390  3.9066  2.8881  3.9066  2.8881  0.000000       0.000000 
1 1 1 -4  0  28 o 326.184  25.237  953.842    141.756 953.842    141.756 953.842    141.756 326.184 25.237  326.184 25.237  -0.000000      0.000000 
1 1 1 -4  0  29 o 269.944  16.093  645.390    75.237  645.390    75.237  645.390    75.237  269.944 16.093  269.944 16.093  -0.000000      0.000000 
1 1 1 -4  0  30 o 852.138  34.777  6487.98    515.492 6487.98    515.492 6487.98    515.492 852.138 34.777  852.138 34.777  0.000000       0.000000 
1 1 1 -4  0  31 o 666.608  28.146  3946.54    326.275 3946.54    326.275 3946.54    326.275 666.608 28.146  666.608 28.146  0.000000       0.000000 
1 1 1 -4  0  32 o 297.684  24.251  795.378    124.127 795.378    124.127 795.378    124.127 297.684 24.251  297.684 24.251  -0.000000      0.000000 
1 1 1 -4  0  33 o 308.599  24.641  854.089    130.827 854.089    130.827 854.089    130.827 308.599 24.641  308.599 24.641  -0.000000      0.000000 
1 1 1 -4  0  34 o 1382.00  82.501  18345.99   1974.57 18345.99   1974.57 18345.99   1974.57 1382.00 82.501  1382.00 82.501  0.000000       0.000000 
1 1 1 -4  0  35 o 944.401  55.292  8155.12    904.611 8155.12    904.611 8155.12    904.611 944.401 55.292  944.401 55.292  0.000000       0.000000 
1 1 1 -4  0  36 o ?        ?       -11.7506   1.9761  -11.7506   1.9761  -11.7506   1.9761  ?       ?       ?       ?       -0.000000      0.000000 
1 1 1 -4  0  37 o 298.528  16.637  787.636    86.105  787.636    86.105  787.636    86.105  298.528 16.637  298.528 16.637  -0.000000      0.000000 
1 1 1 -4  0  38 o 58.229   17.153  36.421     15.157  36.421     15.157  36.421     15.157  58.229  17.153  58.229  17.153  0.000000       0.000000 
1 1 1 -4  0  39 o 309.909  17.119  848.784    91.988  848.784    91.988  848.784    91.988  309.909 17.119  309.909 17.119  -0.000000      0.000000 
1 1 1 -4  0  40 o 54.818   17.136  32.957     14.387  32.957     14.387  32.957     14.387  54.818  17.136  54.818  17.136  -0.000000      0.000000 
1 1 1 -4  0  41 o 359.333  18.427  1140.34    114.922 1140.34    114.922 1140.34    114.922 359.333 18.427  359.333 18.427  -0.000000      0.000000 
1 1 1 -4  0  42 o 460.147  21.115  1869.52    168.838 1869.52    168.838 1869.52    168.838 460.147 21.115  460.147 21.115  0.000000       0.000000 
1 1 1 -4  0  43 o 64.978   18.541  44.911     18.231  44.911     18.231  44.911     18.231  64.978  18.541  64.978  18.541  -0.000000      0.000000 
1 1 1 -4  0  44 o 598.705  37.141  3217.76    384.839 3217.76    384.839 3217.76    384.839 598.705 37.141  598.705 37.141  -0.000000      0.000000 
1 1 1 -4  0  45 o 236.480  22.402  504.271    90.595  504.271    90.595  504.271    90.595  236.480 22.402  236.480 22.402  -0.000000      0.000000 
1 1 1 -4  0  46 o 181.745  21.362  301.779    65.337  301.779    65.337  301.779    65.337  181.745 21.362  181.745 21.362  0.000000       0.000000 
1 1 1 -4  0  47 o 216.993  21.936  426.229    81.166  426.229    81.166  426.229    81.166  216.993 21.936  216.993 21.936  -0.000000      0.000000 
1 1 1 -4  0  48 o 16.548   10.823  -1.0640    7.7242  -1.0640    7.7242  -1.0640    7.7242  16.548  10.823  16.548  10.823  -0.000000      0.000000 
1 1 1 -4  0  49 o 72.057   17.918  53.091     19.508  53.091     19.508  53.091     19.508  72.057  17.918  72.057  17.918  -0.000000      0.000000 
1 1 1 -4  0  50 o 349.853  18.229  1083.25    110.662 1083.25    110.662 1083.25    110.662 349.853 18.229  349.853 18.229  0.000000       0.000000 
1 1 1 -4  0  51 o 66.913   23.749  51.815     25.264  51.815     25.264  51.815     25.264  66.913  23.749  66.913  23.749  -0.000000      0.000000 
1 1 1 -4  0  52 o 354.095  18.507  1110.99    113.711 1110.99    113.711 1110.99    113.711 354.095 18.507  354.095 18.507  0.000000       0.000000 
1 1 1 -4  0  53 f ?        ?       -124.9712  5.9269  -124.9712  5.9269  -124.9712  5.9269  ?       ?       ?       ?       -0.000000      0.000000 
1 1 1 -4  0  54 o 675.070  28.670  4077.78    336.555 4077.78    336.555 4077.78    336.555 675.070 28.670  675.070 28.670  0.000000       0.000000 
1 1 1 -4  0  55 f 465.151  21.726  1924.74    175.576 1924.74    175.576 1924.74    175.576 465.151 21.726  465.151 21.726  -0.000000      0.000000 
1 1 1 -4  0  56 o 91.711   31.588  97.292     45.525  97.292     45.525  97.292     45.525  91.711  31.588  91.711  31.588  0.000000       0.000000 
1 1 1 -4  0  57 o 84.107   31.434  84.873     43.031  84.873     43.031  84.873     43.031  84.107  31.434  84.107  31.434  0.000000       0.000000 
1 1 1 -4  0  58 o 302.613  25.370  835.362    131.883 835.362    131.883 835.362    131.883 302.613 25.370  302.613 25.370  0.000000       0.000000 
1 1 1 -4  0  59 o 23.912   16.083  -7.8083    19.140  -7.8083    19.140  -7.8083    19.140  23.912  16.083  23.912  16.083  0.000000       0.000000 
1 1 1 -4  0  60 o 19.107   13.467  -20.5890   17.803  -20.5890   17.803  -20.5890   17.803  19.107  13.467  19.107  13.467  -0.000000      0.000000 
1 1 1 -4  0  61 o 441.899  21.324  1761.90    163.664 1761.90    163.664 1761.90    163.664 441.899 21.324  441.899 21.324  0.000000       0.000000 
1 1 1 -4  0  62 o 161.836  16.124  239.251    44.525  239.251    44.525  239.251    44.525  161.836 16.124  161.836 16.124  0.000000       0.000000 
1 1 1 -4  0  63 o 112.214  17.949  120.387    32.471  120.387    32.471  120.387    32.471  112.214 17.949  112.214 17.949  0.000000       0.000000 
1 1 1 -4  0  64 o 88.932   21.333  81.977     28.733  81.977     28.733  81.977     28.733  88.932  21.333  88.932  21.333  -0.000000      0.000000 
1 1 1 -4  0  65 o 55.236   24.189  39.942     24.328  39.942     24.328  39.942     24.328  55.236  24.189  55.236  24.189  -0.000000      0.000000 
1 1 1 -4  0  66 o 64.496   23.593  50.438     24.509  50.438     24.509  50.438     24.509  64.496  23.593  64.496  23.593  0.000000       0.000000 
1 1 1 -4  0  67 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -4  0  68 o 65.417   30.943  61.708     40.045  61.708     40.045  61.708     40.045  65.417  30.943  65.417  30.943  -0.000000      0.000000 
1 1 1 -4  0  69 o 126.079  28.783  173.612    55.210  173.612    55.210  173.612    55.210  126.079 28.783  126.079 28.783  -0.000000      0.000000 
1 1 1 -4  0  70 o 44.989   22.802  28.671     22.334  28.671     22.334  28.671     22.334  44.989  22.802  44.989  22.802  -0.000000      0.000000 
1 1 1 -4  0  71 o 126.881  16.808  155.571    35.414  155.571    35.414  155.571    35.414  126.881 16.808  126.881 16.808  0.000000       0.000000 
1 1 1 -4  0  72 o 99.334   20.307  102.902    31.144  102.902    31.144  102.902    31.144  99.334  20.307  99.334  20.307  -0.000000      0.000000 
1 1 1 -4  0  73 o 65.268   24.297  55.055     25.760  55.055     25.760  55.055     25.760  65.268  24.297  65.268  24.297  -0.000000      0.000000 
1 1 1 -4  0  74 o 26.756   17.515  0.4804     20.298  0.4804     20.298  0.4804     20.298  26.756  17.515  26.756  17.515  0.000000       0.000000 
1 1 1 -4  0  75 o 29.065   18.631  5.0072     21.383  5.0072     21.383  5.0072     21.383  29.065  18.631  29.065  18.631  0.000000       0.000000 
1 1 1 -4  0  76 o 136.471  17.785  188.035    40.390  188.035    40.390  188.035    40.390  136.471 17.785  136.471 17.785  0.000000       0.000000 
1 1 1 -4  1  1  o 394.402  15.566  1360.71    107.197 1397.65    131.300 1286.86    185.640 399.538 18.821  381.700 28.050  17.83829       33.77954 
1 1 1 -4  1  2  o 111.255  10.847  109.191    20.802  79.919     25.480  167.704    36.025  94.273  16.054  137.629 15.247  -43.35597      22.14083 
1 1 1 -4  1  3  o 454.149  17.039  1804.88    135.118 1706.39    165.489 2001.82    234.019 441.280 21.478  476.490 28.254  -35.20920      35.49053 
1 1 1 -4  1  4  o 509.476  18.482  2272.38    164.411 2149.73    201.367 2517.63    284.755 495.135 23.292  534.116 30.662  -38.98096      38.50512 
1 1 1 -4  1  5  o 501.607  18.079  2202.49    158.346 2249.42    193.945 2108.64    274.230 506.608 21.925  488.340 32.344  18.26840       39.07498 
1 1 1 -4  1  6  o 424.592  15.967  1577.17    118.376 1669.71    144.994 1392.19    204.995 436.681 19.016  396.799 29.805  39.88263       35.35493 
1 1 1 -4  1  7  o 442.355  16.607  1712.22    128.273 1693.99    157.109 1748.66    222.153 439.737 20.462  445.128 28.736  -5.391449      35.27694 
1 1 1 -4  1  8  o 254.884  12.344  567.895    54.937  622.267    67.297  459.285    95.114  266.348 14.525  227.529 24.318  38.81874       28.32571 
1 1 1 -4  1  9  o 894.574  28.823  7035.74    450.208 6935.85    551.401 7235.50    779.752 886.569 35.620  899.664 49.832  -13.09576      61.25388 
1 1 1 -4  1  10 o 417.075  15.700  1521.90    114.332 1616.24    140.041 1333.33    197.988 429.619 18.669  388.261 29.423  41.35864       34.84602 
1 1 1 -4  1  11 o 508.802  17.768  2266.41    157.848 2349.29    273.457 2225.00    193.303 515.748 30.502  503.761 21.976  11.98660       37.59399 
1 1 1 -4  1  12 o 725.242  23.219  4614.45    294.028 0.0000     0.0000  4614.45    294.028 ?       ?       725.242 23.219  0.000000       23.21895 
1 1 1 -4  1  13 o 925.381  29.173  7535.50    471.375 0.0000     0.0000  7535.50    471.375 ?       ?       925.381 29.173  0.000000       29.17315 
1 1 1 -4  1  14 o 1041.29  28.337  9539.87    515.213 8833.37    728.614 10246.41   728.629 997.448 41.835  1075.53 38.799  -78.07764      57.05774 
1 1 1 -4  1  15 o 619.535  18.223  3362.18    197.131 3582.46    278.788 3141.91    278.782 638.566 25.004  597.749 26.711  40.81689       36.58746 
1 1 1 -4  1  16 o 487.199  15.176  2077.36    129.104 2074.69    182.578 2080.04    182.583 486.283 21.503  486.914 21.476  -0.6307373     30.39035 
1 1 1 -4  1  17 o 856.662  27.591  6462.35    412.702 6308.44    505.444 6770.21    714.851 844.433 34.280  868.444 47.321  -24.01013      58.43288 
1 1 1 -4  1  18 o 343.693  14.014  1033.72    84.103  957.207    102.990 1186.88    145.710 329.996 17.942  366.856 22.861  -36.85986      29.06072 
1 1 1 -4  1  19 o 297.881  13.417  776.503    69.784  772.563    85.461  784.388    120.891 296.482 16.575  297.768 23.441  -1.285583      28.70907 
1 1 1 -4  1  20 o 724.785  24.341  4625.00    308.046 4769.48    533.581 4552.78    377.267 728.827 42.108  717.507 30.113  11.31989       51.76795 
1 1 1 -4  1  21 o 621.741  21.151  3398.20    229.620 3784.95    397.761 3204.89    281.210 651.361 35.103  602.563 26.728  48.79803       44.12030 
1 1 1 -4  1  22 o 316.229  13.842  875.844    76.428  967.228    132.419 830.195    93.590  330.594 23.085  307.090 17.527  23.50433       28.98453 
1 1 1 -4  1  23 o 277.561  15.796  677.775    76.238  843.831    107.851 511.928    107.783 309.132 20.090  239.296 26.226  69.83594       33.03613 
1 1 1 -4  1  24 o 394.122  15.494  1362.45    106.627 1284.82    130.574 1517.83    184.730 381.693 19.659  413.538 25.711  -31.84573      32.36531 
1 1 1 -4  1  25 o 386.147  15.547  1308.38    104.823 1344.60    128.378 1235.91    181.567 391.001 18.804  372.163 28.149  18.83771       33.85204 
1 1 1 -4  1  26 o 199.525  11.768  349.832    40.818  387.040    49.997  275.463    70.683  209.671 13.732  175.000 23.745  34.67097       27.43034 
1 1 1 -4  1  27 o 389.637  19.103  1336.74    129.961 1360.48    183.794 1313.01    183.792 390.515 27.123  383.453 27.636  7.062500       38.72186 
1 1 1 -4  1  28 o 194.432  14.426  333.509    48.627  255.236    68.759  411.828    68.780  168.166 24.106  215.530 18.454  -47.36404      30.35921 
1 1 1 -4  1  29 f 164.199  14.017  238.222    39.801  239.082    56.294  237.362    56.281  163.470 20.149  162.856 20.228  0.6140747      28.55081 
1 1 1 -4  1  30 o 743.901  30.566  4942.15    397.028 5383.82    561.509 4500.57    561.456 767.795 42.044  698.545 46.294  69.25000       62.53677 
1 1 1 -4  1  31 o 403.531  15.833  1430.09    111.560 1475.41    136.649 1339.50    193.180 409.322 19.120  386.907 28.801  22.41492       34.57000 
1 1 1 -4  1  32 o 328.697  14.242  947.559    81.740  916.440    100.119 1009.76    141.553 322.351 17.858  337.033 24.215  -14.68149      30.08777 
1 1 1 -4  1  33 o 256.478  12.567  576.229    56.279  626.474    68.956  475.983    97.400  266.839 14.859  230.763 24.550  36.07646       28.69635 
1 1 1 -4  1  34 o 337.751  12.455  998.985    73.450  1013.41    103.866 984.556    103.883 339.216 17.597  334.294 17.862  4.921600       25.07366 
1 1 1 -4  1  35 o 118.799  9.5533  124.211    19.649  140.492    27.757  107.859    27.818  126.026 12.791  109.943 14.873  16.08272       19.61679 
1 1 1 -4  1  36 f 249.361  12.561  545.674    54.515  463.638    94.325  586.822    66.803  228.113 24.044  258.356 14.871  -30.24263      28.27115 
1 1 1 -4  1  37 o 398.987  15.800  1395.40    110.073 1369.87    190.641 1408.17    134.816 392.680 27.988  400.414 19.283  -7.734283      33.98722 
1 1 1 -4  1  38 o 333.360  14.484  973.383    84.306  885.508    146.380 1017.00    103.128 315.608 26.817  340.059 17.427  -24.45068      31.98171 
1 1 1 -4  1  39 o 210.464  10.352  387.350    38.043  390.754    53.897  383.969    53.704  210.698 14.743  208.842 14.824  1.855606       20.90702 
1 1 1 -4  1  40 o 440.395  16.763  1700.53    128.903 1697.89    223.207 1701.85    157.895 437.160 29.413  440.092 20.548  -2.931519      35.87929 
1 1 1 -4  1  41 o 441.635  16.753  1710.17    129.187 1680.66    223.646 1724.94    158.260 434.849 29.632  443.069 20.457  -8.220337      36.00722 
1 1 1 -4  1  42 o 416.076  16.056  1517.51    116.649 1382.48    201.924 1585.14    142.907 394.181 29.553  424.871 19.263  -30.69000      35.27697 
1 1 1 -4  1  43 o 395.107  15.448  1368.11    106.571 1164.43    184.447 1470.18    130.571 361.547 29.474  409.269 18.272  -47.72180      34.67811 
1 1 1 -4  1  44 o 132.584  9.4557  154.471    21.747  140.866    30.939  167.755    30.573  126.008 14.316  137.837 12.851  -11.82928      19.23812 
1 1 1 -4  1  45 o 493.328  17.914  2136.25    154.311 2184.64    267.167 2112.03    189.030 495.289 31.050  489.834 22.101  5.454926       38.11263 
1 1 1 -4  1  46 o 486.702  17.701  2079.35    150.423 2140.98    260.493 2048.51    184.247 490.321 30.579  482.389 21.875  7.931915       37.59748 
1 1 1 -4  1  47 o 189.732  11.618  316.219    38.303  347.944    47.148  254.640    65.688  198.835 13.663  168.481 22.924  30.35364       26.68713 
1 1 1 -4  1  48 o 266.632  12.646  622.536    58.872  676.130    72.279  516.896    101.478 277.304 14.983  240.767 24.479  36.53688       28.70066 
1 1 1 -4  1  49 o 268.820  12.648  632.888    59.368  696.077    72.910  508.562    102.270 281.361 14.894  238.648 24.910  42.71248       29.02314 
1 1 1 -4  1  50 o 232.505  12.614  474.893    51.017  491.259    62.936  443.530    87.125  236.143 15.347  223.090 22.682  13.05324       27.38624 
1 1 1 -4  1  51 o 602.796  17.924  3194.77    188.654 3118.50    266.738 3271.11    266.855 593.341 25.746  607.890 25.141  -14.54816      35.98564 
1 1 1 -4  1  52 o 565.253  19.874  2815.37    196.150 2834.42    240.259 2777.29    339.670 565.870 24.317  554.954 35.237  10.91577       42.81258 
1 1 1 -4  1  53 o 21.660   10.590  -25.5444   13.305  -18.5634   15.176  -48.7239   27.654  26.146  12.396  31.997  15.561  -5.851233      19.89477 
1 1 1 -4  1  54 o 283.750  13.144  706.230    65.124  718.569    79.791  681.611    112.710 285.444 16.075  276.369 23.582  9.074951       28.53976 
1 1 1 -4  1  55 o 12.762   6.3859  -16.7709   5.9818  -11.8330   6.2586  -68.9322   20.341  14.936  7.2945  21.833  11.034  -6.896837      13.22740 
1 1 1 -4  1  56 o 449.540  14.263  1776.04    111.958 1596.23    158.033 1957.21    158.633 423.904 21.420  470.618 19.305  -46.71469      28.83580 
1 1 1 -4  1  57 o 252.911  11.361  561.048    50.171  546.676    71.004  575.379    70.902  248.487 16.458  255.049 16.002  -6.562286      22.95513 
1 1 1 -4  1  58 o 243.024  12.857  520.529    54.363  544.310    94.015  508.583    66.632  246.316 22.095  239.586 16.020  6.730240       27.29140 
1 1 1 -4  1  59 o 360.430  14.956  1145.90    94.121  1131.93    163.189 1152.86    115.215 353.417 26.641  360.137 18.383  -6.720459      32.36792 
1 1 1 -4  1  60 o 350.017  14.589  1081.50    89.161  1016.22    154.496 1114.10    109.177 334.041 26.712  354.349 17.646  -20.30765      32.01381 
1 1 1 -4  1  61 o 270.323  13.359  644.701    63.053  602.497    108.587 666.171    77.448  257.146 24.480  273.635 16.283  -16.48840      29.40075 
1 1 1 -4  1  62 o 119.250  11.374  126.329    23.396  132.823    33.439  120.102    32.746  121.273 16.196  115.074 16.792  6.199043       23.32993 
1 1 1 -4  1  63 o 386.287  13.394  1320.22    90.339  1379.15    127.835 1261.44    127.682 392.375 18.659  374.300 19.605  18.07425       27.06467 
1 1 1 -4  1  64 o 45.105   17.474  11.986     19.629  19.503     33.624  8.1003     24.177  58.023  22.760  46.418  18.922  11.60580       29.59814 
1 1 1 -4  1  65 o 70.715   18.119  46.689     22.473  31.645     37.198  55.335     28.201  65.296  24.341  76.758  20.608  -11.46177      31.89307 
1 1 1 -4  1  66 o 157.029  17.000  224.166    45.868  0.0000     0.0000  224.166    45.868  ?       ?       157.029 17.000  0.000000       17.00027 
1 1 1 -4  1  67 o 125.226  12.297  140.602    26.542  121.016    37.479  160.307    37.592  113.797 19.568  132.437 16.623  -18.63957      25.67524 
1 1 1 -4  1  68 o 335.437  12.914  1003.78    75.635  936.204    106.770 1071.84    107.159 319.324 19.239  342.807 17.965  -23.48315      26.32275 
1 1 1 -4  1  69 f 148.767  13.647  199.949    35.055  177.249    42.952  245.232    60.665  138.174 18.249  160.774 22.202  -22.59995      28.74010 
1 1 1 -4  1  70 o 78.590   17.564  58.593     23.496  57.455     28.421  61.051     41.763  77.161  20.676  79.674  26.062  -2.512764      33.26746 
1 1 1 -4  1  71 o 74.707   17.757  53.308     22.823  33.850     27.542  95.953     40.772  61.630  21.178  98.229  23.981  -36.59936      31.99366 
1 1 1 -4  1  72 o 49.983   16.979  21.776     17.697  18.467     23.361  26.232     27.110  50.541  19.192  56.800  20.852  -6.259167      28.33989 
1 1 1 -4  1  73 o 107.548  12.642  105.582    23.286  100.943    31.053  111.544    35.200  102.956 17.925  107.602 19.451  -4.645927      26.45083 
1 1 1 -4  1  74 o 56.325   17.947  29.607     19.887  32.264     23.226  22.305     38.501  58.926  19.443  59.425  24.003  -0.4989586     30.89028 
1 1 1 -4  1  75 o 56.186   21.067  25.685     27.943  68.655     37.036  -31.0965   42.574  81.735  24.223  45.589  21.348  36.14638       32.28784 
1 1 1 -4  1  76 o 42.198   16.993  9.5566     19.232  10.120     22.707  8.1265     36.176  44.933  18.329  52.260  22.341  -7.327644      28.89746 
1 1 1 -4  2  1  f 466.431  14.906  1903.09    121.399 2015.66    171.690 1790.53    171.679 479.609 20.502  451.927 21.756  27.68259       29.89430 
1 1 1 -4  2  2  o 704.053  20.196  4343.12    248.270 3815.43    351.090 4870.91    351.123 658.381 30.541  744.554 27.008  -86.17358      40.76998 
1 1 1 -4  2  3  o 373.786  13.449  1221.72    87.776  1337.86    124.140 1105.61    124.127 390.891 18.188  354.666 20.127  36.22516       27.12774 
1 1 1 -4  2  4  o 441.210  14.780  1702.80    113.862 1755.94    161.031 1649.67    161.021 447.634 20.603  433.825 21.257  13.80945       29.60296 
1 1 1 -4  2  5  o 536.233  16.240  2516.27    152.055 2564.63    215.041 2467.92    215.036 540.749 22.775  530.407 23.219  10.34125       32.52419 
1 1 1 -4  2  6  f 680.449  20.010  4056.78    237.748 3923.44    336.226 4190.12    336.226 667.888 28.831  690.377 27.892  -22.48926      40.11509 
1 1 1 -4  2  7  f 836.344  26.143  6144.53    381.765 5979.63    467.545 6474.41    661.292 823.658 32.510  852.398 44.586  -28.73956      55.17974 
1 1 1 -4  2  8  o 1388.80  42.738  17121.60   1036.37 17121.60   1036.37 0.0000     0.0000  1388.80 42.738  ?       ?       0.000000       42.73796 
1 1 1 -4  2  9  o 830.862  25.662  6064.10    372.284 6064.10    372.284 0.0000     0.0000  830.862 25.662  ?       ?       0.000000       25.66155 
1 1 1 -4  2  10 o 547.266  16.582  2621.63    158.449 2621.63    158.449 0.0000     0.0000  547.266 16.582  ?       ?       0.000000       16.58161 
1 1 1 -4  2  11 o 900.867  24.299  7126.37    382.212 6465.33    468.081 8448.97    662.099 856.441 31.301  976.540 38.830  -120.0997      49.87534 
1 1 1 -4  2  12 o 466.936  21.327  1912.28    173.884 1971.63    245.906 1852.92    245.913 472.142 29.984  457.450 30.970  14.69263       43.10669 
1 1 1 -4  2  13 o 528.747  23.207  2454.64    214.251 2371.31    302.984 2537.99    303.009 517.008 33.748  535.227 32.578  -18.21881      46.90704 
1 1 1 -4  2  14 f 1384.44  54.359  17279.90   1314.03 16678.91   1858.31 17880.90   1858.33 1333.71 80.170  1384.53 77.177  -50.81738      111.2816 
1 1 1 -4  2  15 o 793.143  25.987  5535.33    359.887 5440.63    623.375 5582.67    440.759 778.580 46.060  794.997 31.752  -16.41681      55.94355 
1 1 1 -4  2  16 o 1157.73  36.862  11897.67   745.157 11588.44   1290.68 12052.27   912.615 1120.55 66.261  1160.53 45.037  -39.98242      80.11801 
1 1 1 -4  2  17 o 678.991  22.978  4053.10    272.422 4090.78    471.890 4034.27    333.632 676.225 40.146  676.211 28.257  0.1477051E-01  49.09286 
1 1 1 -4  2  18 o 279.321  11.242  682.385    54.829  573.923    77.528  790.913    77.552  255.241 17.502  300.516 14.780  -45.27415      22.90717 
1 1 1 -4  2  19 o 626.105  18.666  3440.69    204.063 3419.87    288.590 3461.51    288.588 622.515 26.550  626.334 26.388  -3.818909      37.43333 
1 1 1 -4  2  20 o 760.300  21.776  5086.20    289.088 4899.06    408.830 5273.34    408.835 743.028 31.512  771.338 30.356  -28.30963      43.75465 
1 1 1 -4  2  21 o 340.737  14.446  1017.35    85.948  1034.38    105.276 983.309    148.833 342.822 17.647  332.687 25.824  10.13452       31.27743 
1 1 1 -4  2  22 o 706.941  23.773  4410.02    293.449 4262.79    359.414 4704.42    508.229 692.977 29.704  721.878 40.485  -28.90149      50.21276 
1 1 1 -4  2  23 o 473.880  17.720  1973.12    146.619 1808.16    179.581 2302.93    253.924 452.133 22.821  508.555 28.713  -56.42215      36.67766 
1 1 1 -4  2  24 o 417.691  16.253  1531.91    118.536 1476.46    145.189 1642.75    205.275 409.406 20.310  429.416 27.523  -20.00995      34.20525 
1 1 1 -4  2  25 o 287.978  16.454  730.855    82.394  730.855    82.394  0.0000     0.0000  287.978 16.454  ?       ?       0.000000       16.45425 
1 1 1 -4  2  26 o 558.738  17.051  2744.59    166.353 2667.87    235.249 2821.31    235.268 548.833 24.549  564.617 23.864  -15.78412      34.23635 
1 1 1 -4  2  27 o 173.235  11.655  264.062    35.048  272.072    42.900  247.986    60.777  175.540 14.116  166.266 21.434  9.273941       25.66450 
1 1 1 -4  2  28 o 96.775   10.265  82.896     17.080  69.422     20.894  110.033    29.653  87.869  14.095  110.831 15.768  -22.96175      21.14914 
1 1 1 -4  2  29 o 480.200  17.870  2029.15    149.837 2028.33    183.495 2030.80    259.575 479.147 21.933  475.523 31.440  3.624298       38.33457 
1 1 1 -4  2  30 o 423.168  14.187  1570.90    104.825 1591.58    148.248 1550.21    148.241 424.944 19.980  419.332 20.246  5.612579       28.44497 
1 1 1 -4  2  31 o 470.822  17.605  1949.00    144.732 1832.96    250.715 2006.99    177.248 451.902 31.981  477.002 21.281  -25.10049      38.41427 
1 1 1 -4  2  32 o 574.566  20.204  2907.62    202.693 3267.09    351.049 2727.85    248.257 603.604 33.439  555.043 25.616  48.56140       42.12295 
1 1 1 -4  2  33 o 191.391  14.818  323.112    49.132  372.492    69.373  273.416    69.595  204.845 19.636  174.497 23.434  30.34776       30.57312 
1 1 1 -4  2  34 o 421.571  16.279  1559.16    119.829 1521.32    207.484 1578.11    146.784 413.296 28.934  423.624 19.844  -10.32852      35.08517 
1 1 1 -4  2  35 o 317.238  13.961  881.570    77.332  933.949    133.899 855.356    94.727  324.653 23.786  311.710 17.475  12.94370       29.51553 
1 1 1 -4  2  36 o 370.538  18.684  1208.57    120.492 1235.43    170.348 1181.68    170.455 373.158 26.313  364.764 26.954  8.394745       37.66822 
1 1 1 -4  2  37 o 327.619  17.343  944.166    98.859  892.630    139.727 995.823    139.889 317.131 25.448  335.349 24.050  -18.21851      35.01442 
1 1 1 -4  2  38 o 390.909  18.829  1341.51    128.522 1193.90    181.679 1489.39    181.835 366.376 28.627  410.175 25.515  -43.79904      38.34782 
1 1 1 -4  2  39 o 707.564  29.429  4429.75    363.585 0.0000     0.0000  4429.75    363.585 ?       ?       707.564 29.429  0.000000       29.42915 
1 1 1 -4  2  40 o 834.326  27.182  6147.44    395.986 6641.63    686.028 5900.52    484.926 857.022 46.013  814.738 34.087  42.28412       57.26366 
1 1 1 -4  2  41 o 503.392  18.179  2223.91    159.787 2403.13    276.983 2134.51    195.620 519.928 30.646  492.444 22.751  27.48395       38.16747 
1 1 1 -4  2  42 o 801.869  22.997  5661.64    321.985 5734.47    455.377 5588.82    455.334 803.636 32.453  793.190 32.877  10.44604       46.19586 
1 1 1 -4  2  43 o 533.833  16.559  2499.29    154.352 2561.49    218.347 2437.15    218.226 539.262 23.189  525.893 23.765  13.36859       33.20438 
1 1 1 -4  2  44 o 346.440  12.504  1050.61    75.641  1123.33    107.146 978.362    106.799 357.811 17.150  333.298 18.423  24.51239       25.16993 
1 1 1 -4  2  45 o 171.945  10.288  259.515    30.747  243.497    43.766  275.126    43.205  165.973 15.273  176.653 14.125  -10.68031      20.80392 
1 1 1 -4  2  46 o 368.508  15.049  1190.44    96.830  1221.43    118.681 1128.74    167.461 372.917 18.227  356.203 27.129  16.71436       32.68310 
1 1 1 -4  2  47 o 510.630  15.899  2287.25    141.755 2370.58    200.515 2203.98    200.429 518.693 22.140  499.962 22.959  18.73169       31.89525 
1 1 1 -4  2  48 o 526.132  16.473  2429.63    151.333 2587.29    213.982 2271.87    214.053 541.658 22.625  507.210 24.170  34.44763       33.10685 
1 1 1 -4  2  49 o 176.777  12.211  274.960    37.461  269.495    45.186  286.969    66.989  174.658 14.961  179.126 21.872  -4.468018      26.49979 
1 1 1 -4  2  50 o 459.186  21.424  1859.31    171.771 1859.31    171.771 0.0000     0.0000  459.186 21.424  ?       ?       0.000000       21.42389 
1 1 1 -4  2  51 o 326.048  17.708  937.572    100.433 937.572    100.433 0.0000     0.0000  326.048 17.708  ?       ?       0.000000       17.70778 
1 1 1 -4  2  52 f 86.787   18.300  68.772     26.857  68.772     26.857  0.0000     0.0000  86.787  18.300  ?       ?       0.000000       18.29957 
1 1 1 -4  2  53 o 400.828  13.732  1409.73    96.108  1334.60    135.078 1486.77    136.772 388.414 19.985  410.676 19.074  -22.26233      27.62608 
1 1 1 -4  2  54 o ?        ?       -101.3505  5.5352  -99.7389   5.6677  -134.6104  25.748  ?       ?       ?       ?       0.000000       ?        
1 1 1 -4  2  55 o 169.292  10.845  252.169    31.889  234.996    43.625  271.873    46.729  162.713 15.544  175.139 15.439  -12.42574      21.90829 
1 1 1 -4  2  56 o 359.486  12.808  1134.74    80.395  1028.20    113.001 1243.94    114.403 340.491 19.084  375.464 17.450  -34.97321      25.85938 
1 1 1 -4  2  57 o 163.782  10.423  236.130    29.652  274.217    40.816  193.565    43.149  176.111 13.373  147.097 17.120  29.01472       21.72403 
1 1 1 -4  2  58 o 23.050   10.909  -13.8197   11.649  -29.5352   14.021  21.200     20.931  21.560  10.608  52.219  18.429  -30.65922      21.26407 
1 1 1 -4  2  59 o 397.459  13.631  1392.03    94.599  1398.08    133.952 1386.01    133.616 396.467 19.350  394.737 19.386  1.729797       27.39043 
1 1 1 -4  2  60 o 145.608  17.469  190.836    43.527  170.423    63.241  209.211    60.000  134.550 27.837  150.827 23.553  -16.27686      36.46382 
1 1 1 -4  2  61 o 216.827  16.438  419.798    61.771  0.0000     0.0000  419.798    61.771  ?       ?       216.827 16.438  0.000000       16.43823 
1 1 1 -4  2  62 f 619.422  27.371  3530.21    296.030 0.0000     0.0000  3530.21    296.030 ?       ?       619.422 27.371  0.000000       27.37068 
1 1 1 -4  2  63 o 280.625  17.412  706.796    84.897  0.0000     0.0000  706.796    84.897  ?       ?       280.625 17.412  0.000000       17.41208 
1 1 1 -4  2  64 o 93.179   14.138  78.810     22.279  53.055     31.048  106.147    31.988  75.494  22.125  107.473 17.659  -31.97966      28.30882 
1 1 1 -4  2  65 o 127.429  12.222  145.161    26.860  142.613    38.115  147.675    37.859  124.618 18.042  127.017 17.538  -2.398788      25.16135 
1 1 1 -4  2  66 o 264.551  11.817  620.639    54.588  620.865    77.403  620.415    76.997  261.933 17.016  261.885 16.929  0.4772949E-01  24.00298 
1 1 1 -4  2  67 f 48.629   16.612  19.893     16.940  19.984     27.632  19.838     21.441  54.388  20.821  50.906  18.566  3.482365       27.89606 
1 1 1 -4  2  68 o 178.256  10.715  282.810    33.197  326.768    48.503  244.072    45.532  190.095 14.728  163.547 16.156  26.54813       21.86122 
1 1 1 -4  2  69 o 120.271  11.636  130.034    24.131  132.032    35.570  128.331    32.844  119.062 17.644  117.841 16.408  1.221069       24.09385 
1 1 1 -4  2  70 o 200.094  10.843  357.461    37.741  366.831    54.303  348.705    52.491  200.347 15.647  195.381 15.514  4.965408       22.03472 
1 1 1 -4  2  71 o 41.793   17.064  7.2982     19.704  20.994     23.893  -21.8168   34.837  52.363  19.510  43.123  19.889  9.240322       27.86113 
1 1 1 -4  2  72 o 41.521   17.861  0.8007     23.386  0.8007     23.386  0.0000     0.0000  41.521  17.861  ?       ?       0.000000       17.86150 
1 1 1 -4  2  73 o 137.257  17.330  177.339    40.607  177.339    40.607  0.0000     0.0000  137.257 17.330  ?       ?       0.000000       17.32974 
1 1 1 -4  2  74 o 22.877   11.358  -40.6246   17.407  -40.6246   17.407  0.0000     0.0000  22.877  11.358  ?       ?       0.000000       11.35757 
1 1 1 -4  2  75 o 71.476   15.672  49.018     19.020  66.472     28.780  35.481     25.344  81.563  20.291  61.116  20.318  20.44722       28.71473 
1 1 1 -4  2  76 o 41.977   16.201  12.083     16.825  47.050     27.285  -9.3687    21.371  68.537  20.901  35.261  16.002  33.27584       26.32325 
1 1 1 -4  3  1  o 899.789  24.630  7113.48    386.961 7147.31    547.244 7079.64    547.246 899.065 34.860  894.744 35.028  4.321167       49.41872 
1 1 1 -4  3  2  o 202.028  10.230  357.640    35.969  395.864    50.878  319.443    50.859  212.281 13.801  190.426 15.429  21.85532       20.70080 
1 1 1 -4  3  3  o 600.037  17.837  3153.86    186.877 3004.73    264.276 3303.00    264.291 584.599 25.890  613.124 24.687  -28.52466      35.77379 
1 1 1 -4  3  4  o 354.774  12.670  1100.71    78.488  1144.58    111.006 1056.85    110.991 361.491 17.587  346.826 18.394  14.66519       25.44839 
1 1 1 -4  3  5  o 705.434  20.287  4363.65    249.885 4412.41    353.393 4314.88    353.389 707.840 28.593  699.904 28.917  7.936035       40.66629 
1 1 1 -4  3  6  o 187.693  9.5169  308.650    31.087  232.118    38.032  462.726    53.963  162.335 13.541  229.599 13.520  -67.26357      19.13542 
1 1 1 -4  3  7  o 640.747  22.227  3603.75    248.670 3603.75    248.670 0.0000     0.0000  640.747 22.227  ?       ?       0.000000       22.22667 
1 1 1 -4  3  8  o 684.076  20.816  4105.33    248.631 4105.33    248.631 0.0000     0.0000  684.076 20.816  ?       ?       0.000000       20.81554 
1 1 1 -4  3  9  f 1209.53  29.875  12903.60   630.944 12903.60   630.944 0.0000     0.0000  1209.53 29.875  ?       ?       0.000000       29.87515 
1 1 1 -4  3  10 o 418.645  19.747  1537.21    144.345 1446.58    204.106 1627.90    204.164 404.006 29.129  429.054 27.395  -25.04883      39.98768 
1 1 1 -4  3  11 o 379.802  18.777  1264.83    124.520 1320.10    176.093 1209.56    176.103 386.343 26.260  369.506 27.492  16.83719       38.01797 
1 1 1 -4  3  12 f 374.533  18.576  1230.07    121.481 1175.95    171.788 1284.20    171.813 364.300 27.203  381.023 25.980  -16.72296      37.61600 
1 1 1 -4  3  13 o 400.279  27.757  1419.85    192.801 1419.85    192.801 0.0000     0.0000  400.279 27.757  ?       ?       0.000000       27.75706 
1 1 1 -4  3  14 o 538.081  33.901  2578.95    316.883 2578.95    316.883 0.0000     0.0000  538.081 33.901  ?       ?       0.000000       33.90113 
1 1 1 -4  3  15 o 593.123  36.568  3144.63    376.860 3144.63    376.860 0.0000     0.0000  593.123 36.568  ?       ?       0.000000       36.56757 
1 1 1 -4  3  16 o 641.884  39.026  3697.47    435.314 3697.47    435.314 0.0000     0.0000  641.884 39.026  ?       ?       0.000000       39.02559 
1 1 1 -4  3  17 o 712.917  18.945  4464.42    235.826 6396.20    333.742 2538.03    333.276 852.289 22.426  532.149 36.081  320.1395       42.48300 
1 1 1 -4  3  18 o 369.418  17.253  1197.82    111.289 1332.17    157.506 1063.88    157.267 388.044 23.355  345.992 26.227  42.05231       35.11869 
1 1 1 -4  3  19 o 949.142  39.509  8100.64    654.775 7681.80    926.079 8519.33    925.904 906.877 58.801  958.513 55.561  -51.63666      80.89875 
1 1 1 -4  3  20 o 159.464  11.220  223.670    31.042  272.412    53.854  199.418    37.987  175.181 17.856  150.096 14.682  25.08447       23.11742 
1 1 1 -4  3  21 o 892.838  29.449  7090.96    459.099 7182.34    795.252 7045.28    562.255 880.224 51.973  885.664 36.358  -5.440125      63.42814 
1 1 1 -4  3  22 o 313.239  13.974  860.434    76.429  843.814    93.627  893.629    132.318 309.341 17.405  316.961 24.089  -7.620789      29.71853 
1 1 1 -4  3  23 o 304.206  11.799  810.614    62.673  756.143    88.625  865.105    88.642  292.726 17.418  313.383 16.255  -20.65695      23.82480 
1 1 1 -4  3  24 o 399.686  13.447  1400.96    93.844  1443.50    132.715 1358.43    132.714 404.847 18.774  392.628 19.359  12.21884       26.96733 
1 1 1 -4  3  25 o 24.082   8.5300  4.3732     4.4881  -3.4224    6.3578  12.117     6.3365  19.522  8.8059  36.576  9.7459  -17.05394      13.13493 
1 1 1 -4  3  26 o 273.807  11.417  656.724    54.582  611.549    77.176  701.934    77.205  263.169 16.884  282.219 15.730  -19.05045      23.07616 
1 1 1 -4  3  27 o 114.394  9.5332  115.301    18.868  114.444    26.700  116.156    26.668  113.398 13.767  114.276 13.635  -0.8774109     19.37593 
1 1 1 -4  3  28 o 455.025  14.778  1817.38    117.410 1914.67    166.044 1720.10    166.042 465.909 20.411  441.344 21.547  24.56512       29.67917 
1 1 1 -4  3  29 f 233.759  10.558  478.313    43.093  456.630    61.015  499.892    60.870  227.543 15.449  238.233 14.705  -10.69031      21.32840 
1 1 1 -4  3  30 o 645.040  22.327  3673.34    251.462 3755.08    307.966 3509.84    435.576 650.462 27.116  621.580 40.352  28.88257       48.61581 
1 1 1 -4  3  31 o 184.936  20.690  304.956    65.667  0.0000     0.0000  304.956    65.667  ?       ?       184.936 20.690  0.000000       20.69040 
1 1 1 -4  3  32 o 602.503  37.250  3266.21    389.948 0.0000     0.0000  3266.21    389.948 ?       ?       602.503 37.250  0.000000       37.24954 
1 1 1 -4  3  33 o 36.172   11.143  11.414     7.7323  10.575     12.467  11.939     9.8571  38.751  14.153  38.037  12.672  0.7137032      18.99747 
1 1 1 -4  3  34 o 945.694  38.369  8005.10    633.565 0.0000     0.0000  8005.10    633.565 ?       ?       945.694 38.369  0.000000       38.36875 
1 1 1 -4  3  35 o 543.569  19.465  2595.78    184.747 2711.88    319.935 2537.70    226.288 551.299 33.394  536.548 24.154  14.75049       41.21366 
1 1 1 -4  3  36 o 410.624  14.172  1476.84    101.609 1521.09    143.766 1432.68    143.627 416.088 19.788  403.219 20.467  12.86917       28.46906 
1 1 1 -4  3  37 o 1363.24  44.025  16728.96   1047.92 16924.46   1814.99 16631.21   1283.46 1326.30 78.726  1348.45 54.511  -22.15149      95.75593 
1 1 1 -4  3  38 f 715.229  24.104  4507.49    301.027 4348.60    521.316 4586.96    368.709 694.259 43.219  719.917 29.332  -25.65857      52.23261 
1 1 1 -4  3  39 o 397.907  19.357  1390.61    134.486 1409.44    190.129 1371.76    190.253 398.466 27.495  392.982 27.908  5.484650       39.17730 
1 1 1 -4  3  40 o 878.136  35.830  6873.49    549.371 7313.72    776.864 6433.12    776.992 896.032 49.852  837.637 53.403  58.39465       73.05543 
1 1 1 -4  3  41 o 283.451  16.447  706.945    81.049  713.347    114.946 700.615    114.299 283.610 23.421  281.034 23.509  2.575470       33.18454 
1 1 1 -4  3  42 o 103.849  14.485  96.302     25.551  106.827    36.752  86.455     35.547  108.539 20.134  97.251  21.505  11.28723       29.45871 
1 1 1 -4  3  43 o 391.394  19.458  1346.28    132.978 1229.83    188.241 1462.29    187.879 371.444 29.261  405.897 26.658  -34.45273      39.58327 
1 1 1 -4  3  44 o 456.483  14.626  1826.25    116.575 1798.81    164.745 1853.76    164.978 452.140 20.868  459.043 20.583  -6.903015      29.31085 
1 1 1 -4  3  45 o 340.331  14.485  1015.17    86.077  1056.75    105.500 932.383    148.870 346.486 17.495  323.617 26.581  22.86844       31.82144 
1 1 1 -4  3  46 o 398.093  15.581  1390.11    108.304 1388.22    132.692 1393.87    187.455 397.350 19.125  395.814 27.290  1.536316       33.32459 
1 1 1 -4  3  47 o 205.712  12.164  371.845    43.498  369.895    53.372  375.703    75.067  204.824 15.028  205.442 21.233  -0.6181946     26.01309 
1 1 1 -4  3  48 o 389.245  15.365  1329.42    104.428 1381.63    128.000 1225.50    180.586 396.369 18.495  370.537 28.122  25.83273       33.65834 
1 1 1 -4  3  49 o 385.689  13.506  1304.03    90.958  1331.12    128.569 1276.89    128.699 388.906 18.933  380.335 19.445  8.571442       27.13974 
1 1 1 -4  3  50 o 237.534  10.976  494.008    45.522  483.182    64.009  505.087    64.754  234.041 15.755  239.336 15.580  -5.295013      22.15760 
1 1 1 -4  3  51 o 204.818  10.838  368.359    38.621  357.234    54.268  379.777    54.976  201.068 15.579  207.396 15.289  -6.327835      21.82803 
1 1 1 -4  3  52 o 415.191  15.976  1515.52    115.816 1584.41    141.651 1376.60    201.150 423.881 19.139  391.348 29.658  32.53314       35.29676 
1 1 1 -4  3  53 o 115.016  14.175  117.908    27.864  128.387    33.147  92.670     51.443  119.723 16.279  100.419 28.186  19.30451       32.54953 
1 1 1 -4  3  54 o 208.681  12.400  383.425    44.979  354.485    54.688  443.931    79.075  200.085 15.782  223.063 20.533  -22.97829      25.89720 
1 1 1 -4  3  55 f 286.772  11.463  721.357    57.396  642.459    80.983  800.993    81.360  269.288 17.315  301.208 15.523  -31.92041      23.25416 
1 1 1 -4  3  56 o 253.687  11.069  564.620    49.030  483.016    68.992  647.888    69.692  233.257 17.058  270.838 14.793  -37.58125      22.57881 
1 1 1 -4  3  57 o 316.671  13.916  883.134    76.947  813.956    132.417 918.403    94.548  299.975 25.524  321.851 16.883  -21.87585      30.60224 
1 1 1 -4  3  58 o 164.316  12.129  238.746    34.554  247.958    58.198  233.731    42.942  165.568 20.575  161.950 15.370  3.618454       25.68184 
1 1 1 -4  3  59 o 247.661  12.888  541.999    55.540  554.268    95.505  535.729    68.272  247.537 22.337  245.421 16.020  2.115860       27.48782 
1 1 1 -4  3  60 o 103.415  12.633  95.687     22.337  103.940    36.773  90.861     28.120  105.976 20.615  99.841  16.722  6.135590       26.54381 
1 1 1 -4  3  61 o 168.135  10.473  249.701    30.592  272.105    43.657  228.086    42.882  174.658 14.445  159.514 15.596  15.14384       21.25759 
1 1 1 -4  3  62 o 80.497   13.377  58.854     18.142  61.542     26.587  56.512     24.819  81.206  19.075  77.872  18.523  3.334236       26.58865 
1 1 1 -4  3  63 o 210.515  12.469  393.679    45.627  472.253    80.744  356.819    55.304  227.433 20.555  199.253 16.032  28.18002       26.06752 
1 1 1 -4  3  64 o 104.975  13.938  99.706     24.915  78.286     46.939  108.108    29.398  90.517  27.372  108.826 15.944  -18.30891      31.67691 
1 1 1 -4  3  65 o 161.765  12.916  234.157    36.177  214.572    63.755  243.457    43.935  149.831 25.269  164.101 15.517  -14.26981      29.65282 
1 1 1 -4  3  66 o 153.892  12.890  212.458    34.318  211.548    58.778  212.928    42.271  149.230 23.321  152.949 16.068  -3.719421      28.32068 
1 1 1 -4  3  67 o 141.083  12.984  179.248    31.627  198.397    39.037  142.669    53.953  147.616 15.371  120.164 26.433  27.45181       30.57732 
1 1 1 -4  3  68 f 152.386  16.011  212.740    41.965  283.072    61.338  150.854    57.538  173.480 20.656  122.502 27.566  50.97865       34.44632 
1 1 1 -4  3  69 o 86.781   16.034  70.507     23.401  92.019     29.286  32.507     38.923  98.837  17.616  64.950  24.747  33.88719       30.37643 
1 1 1 -4  3  70 o 47.186   17.218  17.401     18.444  -6.6201    23.116  59.484     30.596  38.370  17.088  77.926  21.690  -39.55600      27.61226 
1 1 1 -4  3  71 o 57.028   17.610  30.399     19.298  19.975     23.818  50.317     32.924  51.566  19.427  72.053  23.106  -20.48688      30.18781 
1 1 1 -4  3  72 o 99.742   12.926  91.315     21.981  90.516     31.110  92.111     31.063  96.691  19.104  97.654  18.900  -0.9632568     26.87374 
1 1 1 -4  3  73 o 40.077   15.896  9.0956     16.572  15.977     23.914  2.7373     22.987  49.037  19.206  41.819  17.841  7.217270       26.21389 
1 1 1 -4  3  74 o 56.207   18.680  29.389     21.425  28.744     26.565  30.590     36.236  57.264  20.699  61.527  23.768  -4.263302      31.51769 
1 1 1 -4  3  75 o 57.551   18.860  31.472     21.867  36.256     26.315  20.798     39.307  61.501  20.706  58.242  23.978  3.258545       31.68054 
1 1 1 -4  4  1  o 269.577  22.885  643.791    106.704 0.0000     0.0000  643.791    106.704 ?       ?       269.577 22.885  0.000000       22.88544 
1 1 1 -4  4  2  o 441.444  19.590  1710.84    151.000 1504.78    213.430 1917.36    213.664 411.439 29.914  465.548 26.393  -54.10898      39.89272 
1 1 1 -4  4  3  o 360.721  18.560  1144.72    116.505 1189.33    164.679 1100.03    164.847 366.399 25.908  352.077 27.021  14.32159       37.43486 
1 1 1 -4  4  4  o 579.196  25.164  2956.28    254.490 0.0000     0.0000  2956.28    254.490 ?       ?       579.196 25.164  0.000000       25.16416 
1 1 1 -4  4  5  o 181.018  14.127  288.661    44.297  0.0000     0.0000  288.661    44.297  ?       ?       181.018 14.127  0.000000       14.12679 
1 1 1 -4  4  6  o 399.658  19.210  1402.37    134.051 1430.08    189.648 1374.69    189.507 401.563 27.208  393.550 27.756  8.013306       38.86748 
1 1 1 -4  4  7  o 352.203  18.413  1091.69    112.844 1033.16    159.646 1150.14    159.525 341.017 27.033  360.238 25.527  -19.22177      37.18065 
1 1 1 -4  4  8  o 523.482  18.577  2405.66    169.805 2545.26    207.989 2126.64    294.054 537.832 22.148  487.680 34.760  50.15262       41.21638 
1 1 1 -4  4  9  o 113.211  13.796  113.896    26.708  113.896    26.708  0.0000     0.0000  113.211 13.796  ?       ?       0.000000       13.79647 
1 1 1 -4  4  10 o 499.505  17.520  2189.69    152.809 2094.33    187.117 2380.63    264.770 487.780 21.970  517.581 29.419  -29.80127      36.71698 
1 1 1 -4  4  11 o 228.031  10.890  454.915    43.361  471.878    53.078  420.881    75.184  231.760 13.171  217.899 19.983  13.86028       23.93344 
1 1 1 -4  4  12 o 512.640  22.788  2316.21    203.977 2250.64    288.449 2381.79    288.485 501.683 33.115  516.502 32.148  -14.81845      46.15274 
1 1 1 -4  4  13 f 315.867  17.119  878.424    94.066  844.477    133.009 912.392    133.050 308.227 24.928  320.673 23.935  -12.44656      34.55822 
1 1 1 -4  4  14 o 321.467  17.192  910.055    96.150  839.393    135.947 980.779    136.006 307.057 25.589  332.530 23.577  -25.47296      34.79511 
1 1 1 -4  4  15 o 154.788  13.669  211.609    36.564  179.911    51.661  243.428    51.758  141.286 21.630  165.428 18.221  -24.14241      28.28154 
1 1 1 -4  4  16 o 604.650  25.911  3238.77    273.562 3239.63    386.867 3237.91    386.883 599.116 37.165  598.951 37.177  0.1654053      52.56797 
1 1 1 -4  4  17 o 240.250  15.354  508.669    64.072  492.289    90.587  525.066    90.635  235.099 22.336  243.019 21.584  -7.919891      31.06076 
1 1 1 -4  4  18 o 288.189  16.137  731.810    80.874  621.133    114.313 842.722    114.434 263.617 25.139  308.300 21.390  -44.68298      33.00793 
1 1 1 -4  4  19 o 403.957  15.630  1433.23    110.245 1396.41    134.985 1507.00    191.053 398.084 19.420  411.021 26.767  -12.93719      33.06985 
1 1 1 -4  4  20 o 202.991  14.666  363.570    51.631  376.713    73.004  350.417    73.032  205.614 20.612  198.060 21.461  7.553360       29.75629 
1 1 1 -4  4  21 o 476.349  17.438  1996.85    145.040 1889.12    251.282 2050.68    177.614 458.185 31.603  481.837 21.111  -23.65198      38.00532 
1 1 1 -4  4  22 o 266.912  12.410  624.532    57.837  712.227    100.282 580.823    70.798  283.338 20.407  256.586 15.881  26.75296       25.85783 
1 1 1 -4  4  23 o 251.754  14.422  558.218    63.134  643.179    89.582  474.372    88.992  269.438 19.166  230.511 22.393  38.92700       29.47536 
1 1 1 -4  4  24 o 361.638  12.515  1146.53    79.026  1143.84    111.794 1149.22    111.725 360.456 17.762  361.312 17.709  -0.8564453     25.08240 
1 1 1 -4  4  25 o 51.904   10.519  24.439     9.2065  21.254     13.287  27.381     12.768  48.895  14.513  54.793  13.446  -5.897884      19.78460 
1 1 1 -4  4  26 o 526.343  18.894  2439.98    173.643 2303.45    300.653 2508.32    212.706 505.306 34.279  532.579 22.874  -27.27341      41.20959 
1 1 1 -4  4  27 o 272.085  12.708  648.781    60.372  587.021    104.380 679.827    74.007  256.586 23.561  277.865 15.313  -21.27866      28.10027 
1 1 1 -4  4  28 o 915.614  30.306  7470.64    484.515 6910.16    839.114 7750.97    593.439 858.062 56.319  928.318 36.611  -70.25702      67.17332 
1 1 1 -4  4  29 o 86.370   11.182  66.381     16.467  70.780     27.927  64.037     20.389  88.069  18.737  84.300  14.367  3.768555       23.61090 
1 1 1 -4  4  30 o 602.343  21.121  3195.06    222.140 3258.71    384.690 3163.22    272.088 602.036 36.772  597.990 26.059  4.045898       45.06888 
1 1 1 -4  4  31 o 393.523  13.623  1356.58    93.606  1250.16    132.420 1462.87    132.338 376.477 20.218  408.057 18.574  -31.58035      27.45483 
1 1 1 -4  4  32 o 59.185   11.357  31.682     11.310  52.058     14.256  -2.9233    18.578  76.357  11.011  36.416  15.792  39.94113       19.25152 
1 1 1 -4  4  33 o 361.685  14.794  1146.33    93.431  1189.20    114.474 1060.81    161.703 368.077 17.812  345.418 27.026  22.65881       32.36777 
1 1 1 -4  4  34 o 313.426  13.888  860.411    76.005  897.497    93.151  786.542    131.464 319.442 16.759  297.468 25.559  21.97372       30.56344 
1 1 1 -4  4  35 o 276.265  11.421  667.763    55.090  725.011    77.917  610.537    77.902  287.177 15.597  263.272 17.038  23.90457       23.09907 
1 1 1 -4  4  36 o 291.471  11.540  743.327    58.730  770.364    83.049  716.279    83.065  295.980 16.131  285.287 16.749  10.69299       23.25329 
1 1 1 -4  4  37 o 529.158  16.360  2455.48    151.161 2429.27    213.783 2481.68    213.765 525.126 23.316  530.811 23.064  -5.684937      32.79576 
1 1 1 -4  4  38 o 202.202  10.222  358.488    35.973  392.876    50.856  324.055    50.889  211.342 13.858  191.674 15.334  19.66890       20.66829 
1 1 1 -4  4  39 o 336.640  12.409  992.010    72.941  979.871    102.992 1004.22    103.318 333.649 17.743  337.806 17.577  -4.157654      24.97506 
1 1 1 -4  4  40 o 638.325  18.642  3579.10    207.778 3342.44    293.757 3816.05    293.929 614.697 27.369  657.340 25.609  -42.64301      37.48186 
1 1 1 -4  4  41 o 477.127  17.664  1998.66    147.158 1989.39    180.183 2017.25    255.022 475.339 21.709  475.663 30.872  -0.3241577     37.74128 
1 1 1 -4  4  42 f 363.358  14.973  1157.46    94.999  1100.29    116.251 1272.39    164.824 353.341 18.911  378.760 25.064  -25.41992      31.39818 
1 1 1 -4  4  43 o 260.780  23.061  604.305    103.925 0.0000     0.0000  604.305    103.925 ?       ?       260.780 23.061  0.000000       23.06119 
1 1 1 -4  4  44 o 138.553  21.897  173.211    51.213  0.0000     0.0000  173.211    51.213  ?       ?       138.553 21.897  0.000000       21.89660 
1 1 1 -4  4  45 o 658.495  27.741  3845.90    318.966 0.0000     0.0000  3845.90    318.966 ?       ?       658.495 27.741  0.000000       27.74147 
1 1 1 -4  4  46 o 198.911  12.248  347.843    42.334  331.909    51.362  381.598    74.758  193.897 15.295  207.056 20.967  -13.15839      25.95291 
1 1 1 -4  4  47 o 347.683  15.038  1060.79    91.294  1084.09    111.425 1013.19    159.236 350.591 18.265  336.768 27.315  13.82248       32.85942 
1 1 1 -4  4  48 o 315.274  17.574  876.880    96.359  876.880    96.359  0.0000     0.0000  315.274 17.574  ?       ?       0.000000       17.57398 
1 1 1 -4  4  49 o 144.122  12.309  183.355    30.678  145.943    35.842  285.838    59.323  127.822 16.441  179.090 19.274  -51.26795      25.33365 
1 1 1 -4  4  50 o 843.785  23.612  6310.55    347.882 5937.36    491.685 6684.64    492.274 811.418 34.704  862.521 32.687  -51.10309      47.67393 
1 1 1 -4  4  51 o ?        ?       -108.1453  6.3835  -107.3044  6.7617  -115.0373  19.359  ?       ?       ?       ?       0.000000       ?        
1 1 1 -4  4  52 o 52.361   15.792  24.303     15.639  15.789     19.489  39.700     26.208  47.801  17.658  66.920  20.499  -19.11884      27.05551 
1 1 1 -4  4  53 o 762.534  24.785  5185.50    330.003 4553.38    571.006 5502.53    404.374 694.172 47.393  781.985 29.616  -87.81323      55.88549 
1 1 1 -4  4  54 o ?        ?       -33.2126   4.9746  -35.0519   5.0475  29.030     29.362  ?       ?       61.349  21.809  0.000000       21.80864 
1 1 1 -4  4  55 o 201.926  14.890  361.275    52.128  321.662    71.833  405.341    75.763  188.730 22.224  212.573 20.674  -23.84332      30.35317 
1 1 1 -4  4  56 o 429.204  18.798  1635.82    140.877 1302.80    198.163 1976.12    200.315 376.909 30.369  468.364 24.580  -91.45496      39.06971 
1 1 1 -4  4  57 o 382.485  13.434  1289.79    89.720  1239.52    126.591 1340.52    127.177 372.463 19.533  388.139 18.765  -15.67627      27.08659 
1 1 1 -4  4  58 o 363.719  12.937  1166.79    82.163  1079.96    115.809 1254.78    116.586 347.334 19.170  375.496 17.782  -28.16135      26.14719 
1 1 1 -4  4  59 o 303.384  11.900  811.393    63.035  728.442    88.629  896.306    89.671  285.207 17.888  317.151 16.247  -31.94424      24.16510 
1 1 1 -4  4  60 o 167.126  12.048  247.803    34.921  208.299    56.831  271.767    44.263  150.159 22.358  174.409 14.671  -24.24982      26.74141 
1 1 1 -4  4  61 o 379.689  15.622  1284.99    103.568 1224.15    179.042 1315.59    126.966 361.059 28.635  382.294 19.021  -21.23468      34.37629 
1 1 1 -4  4  62 o 182.967  12.623  298.072    40.082  256.310    68.395  319.916    49.466  165.206 24.449  188.798 15.133  -23.59149      28.75284 
1 1 1 -4  4  63 o 85.300   13.304  66.170     19.169  44.983     26.659  88.848     27.581  69.544  20.536  98.185  16.685  -28.64119      26.46030 
1 1 1 -4  4  64 o 36.266   14.552  5.8870     14.049  20.940     19.080  -11.9372   20.762  50.490  17.611  34.488  15.698  16.00155       23.59196 
1 1 1 -4  4  65 o 27.612   13.079  -19.3786   16.812  -22.6667   20.938  -13.4112   28.207  31.141  14.703  40.762  18.452  -9.620865      23.59379 
1 1 1 -4  4  66 o 166.078  15.478  251.120    44.367  227.281    61.378  277.208    64.207  153.882 23.596  171.158 21.993  -17.27542      32.25647 
1 1 1 -4  4  67 o 82.390   19.346  65.104     27.355  75.827     37.558  52.988     39.922  87.720  23.880  75.272  25.503  12.44815       34.93763 
1 1 1 -4  4  68 o 147.929  11.121  196.229    28.515  202.608    40.167  189.747    40.488  148.416 15.740  143.231 16.490  5.184448       22.79667 
1 1 1 -4  4  69 o 164.860  11.224  244.048    32.117  200.319    44.566  291.295    46.324  146.209 17.826  178.296 15.020  -32.08665      23.31019 
1 1 1 -4  4  70 o 73.708   15.788  51.570     19.707  61.903     27.160  40.084     28.637  79.594  19.659  65.243  21.593  14.35101       29.20136 
1 1 1 -4  4  71 o 52.402   16.687  25.340     17.196  17.744     24.096  33.224     24.548  50.213  19.386  59.854  19.999  -9.640705      27.85307 
1 1 1 -4  4  72 o 76.660   15.225  55.822     19.661  52.743     26.669  59.489     29.101  72.924  20.233  77.120  21.031  -4.196472      29.18341 
1 1 1 -4  4  73 o 96.840   12.959  86.794     21.363  69.375     29.152  107.000    31.397  83.246  20.250  105.337 17.698  -22.09106      26.89400 
1 1 1 -4  4  74 o 32.704   14.164  -0.4929    14.907  -7.8110    20.183  8.2917     22.113  34.700  15.667  43.436  17.944  -8.735935      23.82135 
1 1 1 -4  5  1  o 86.665   10.855  66.770     16.066  77.775     27.900  61.310     19.650  92.504  17.921  82.467  14.157  10.03714       22.83789 
1 1 1 -4  5  2  o 369.106  14.246  1194.86    91.812  1312.24    159.120 1136.28    112.412 384.535 23.816  359.469 17.910  25.06616       29.79861 
1 1 1 -4  5  3  o 271.237  13.283  644.854    62.907  570.759    109.014 681.845    77.026  252.718 25.034  278.220 15.922  -25.50189      29.66842 
1 1 1 -4  5  4  f 269.668  11.170  636.682    52.595  651.486    60.747  592.357    105.113 272.667 12.759  257.810 23.613  14.85657       26.83958 
1 1 1 -4  5  5  o 378.342  14.990  1256.13    99.026  1346.33    121.305 1075.93    171.452 391.287 17.755  346.713 28.576  44.57422       33.64234 
1 1 1 -4  5  6  o 37.322   9.8163  12.629     6.4826  18.570     8.0393  1.5850     10.961  45.165  10.408  30.158  12.560  15.00771       16.31201 
1 1 1 -4  5  7  f 121.325  10.998  129.924    23.044  127.745    28.250  134.258    39.839  119.924 13.739  122.013 19.345  -2.089180      23.72739 
1 1 1 -4  5  8  o 216.153  11.986  410.549    45.058  405.105    55.205  421.415    77.987  214.342 14.842  217.623 20.776  -3.281158      25.53283 
1 1 1 -4  5  9  o 376.826  12.865  1244.71    84.646  1443.31    119.713 1046.16    119.701 405.180 16.921  343.916 20.020  61.26364       26.21315 
1 1 1 -4  5  10 o 592.378  20.215  3094.76    209.087 3318.45    256.106 2647.69    362.072 612.165 23.960  539.506 38.693  72.65936       45.51064 
1 1 1 -4  5  11 o 336.638  14.185  994.426    83.381  1045.95    102.149 891.539    144.342 344.873 16.963  315.728 26.426  29.14490       31.40185 
1 1 1 -4  5  12 o 208.087  13.283  381.280    48.012  460.637    68.051  302.630    67.747  228.192 17.206  183.875 21.508  44.31688       27.54311 
1 1 1 -4  5  13 o 627.688  26.774  3505.19    293.441 3490.85    414.973 3519.52    415.005 619.162 38.576  621.814 38.412  -2.651184      54.43843 
1 1 1 -4  5  14 o 216.531  14.900  413.712    55.992  413.712    55.992  0.0000     0.0000  216.531 14.900  ?       ?       0.000000       14.90028 
1 1 1 -4  5  15 o 508.291  22.119  2286.12    196.313 2286.12    196.313 0.0000     0.0000  508.291 22.119  ?       ?       0.000000       22.11945 
1 1 1 -4  5  16 o 181.132  13.273  289.371    41.686  289.371    41.686  0.0000     0.0000  181.132 13.273  ?       ?       0.000000       13.27299 
1 1 1 -4  5  17 o 218.202  12.948  419.092    49.111  419.092    49.111  0.0000     0.0000  218.202 12.948  ?       ?       0.000000       12.94798 
1 1 1 -4  5  18 o 326.566  14.742  936.801    84.060  713.414    118.656 1161.87    119.103 282.512 24.290  362.497 18.882  -79.98514      30.76643 
1 1 1 -4  5  19 o 220.233  12.494  426.659    47.846  303.503    67.413  551.671    67.920  184.082 21.371  250.037 15.636  -65.95494      26.48024 
1 1 1 -4  5  20 o 285.421  15.902  718.393    78.937  0.0000     0.0000  718.393    78.937  ?       ?       285.421 15.902  0.000000       15.90233 
1 1 1 -4  5  21 o 172.673  14.689  263.669    43.865  0.0000     0.0000  263.669    43.865  ?       ?       172.673 14.689  0.000000       14.68853 
1 1 1 -4  5  22 o 564.861  24.333  2828.32    239.995 0.0000     0.0000  2828.32    239.995 ?       ?       564.861 24.333  0.000000       24.33310 
1 1 1 -4  5  23 o 319.395  14.331  895.178    79.924  905.675    138.341 889.919    97.920  318.658 25.066  317.544 17.731  1.113983       30.70337 
1 1 1 -4  5  24 o 330.001  11.535  953.762    66.466  942.947    94.023  964.566    93.972  327.174 16.512  331.350 16.242  -4.176300      23.16158 
1 1 1 -4  5  25 o 338.129  12.853  1001.88    75.885  1002.89    107.373 1000.88    107.263 337.168 18.307  336.828 18.307  0.3396301      25.88992 
1 1 1 -4  5  26 o 637.233  18.967  3571.99    211.041 3735.61    298.489 3408.45    298.426 649.404 26.324  619.882 27.572  29.52167       38.12023 
1 1 1 -4  5  27 o 507.931  16.449  2264.41    145.883 2444.02    206.359 2084.96    206.261 526.488 22.448  485.251 24.422  41.23712       33.17122 
1 1 1 -4  5  28 o 188.461  10.298  311.625    33.759  320.562    47.940  302.835    47.546  190.695 14.507  185.276 14.821  5.419357       20.73904 
1 1 1 -4  5  29 o 306.229  11.946  820.841    63.873  861.902    90.479  780.047    90.183  312.980 16.616  297.584 17.432  15.39612       24.08266 
1 1 1 -4  5  30 o 544.398  16.933  2600.65    160.961 2655.14    227.689 2546.21    227.578 548.720 23.764  537.233 24.261  11.48688       33.96083 
1 1 1 -4  5  31 o 419.025  14.338  1538.43    104.906 1446.50    148.415 1630.21    148.305 404.935 21.064  430.653 19.723  -25.71774      28.85574 
1 1 1 -4  5  32 o 318.510  14.108  888.745    78.462  983.598    96.155  699.733    135.735 334.869 16.445  279.832 28.163  55.03699       32.61234 
1 1 1 -4  5  33 o 491.867  17.581  2123.47    150.995 1955.13    184.796 2461.61    261.914 471.177 22.462  526.542 28.595  -55.36484      36.36240 
1 1 1 -4  5  34 o 246.618  13.009  534.019    55.820  543.562    68.233  514.708    97.063  248.486 15.809  240.561 23.404  7.925018       28.24325 
1 1 1 -4  5  35 o 707.521  24.365  4415.99    301.006 4455.99    368.587 4335.89    521.552 708.912 29.777  692.135 43.375  16.77643       52.61284 
1 1 1 -4  5  36 o 604.784  21.423  3219.49    226.227 3036.48    277.089 3585.36    391.786 585.916 27.084  632.765 35.605  -46.84906      44.73584 
1 1 1 -4  5  37 o 461.614  17.442  1870.67    140.581 1914.41    172.205 1783.28    243.415 466.374 21.147  446.906 31.393  19.46741       37.85118 
1 1 1 -4  5  38 o 311.931  17.575  857.031    95.333  857.031    95.333  0.0000     0.0000  311.931 17.575  ?       ?       0.000000       17.57494 
1 1 1 -4  5  39 o 692.072  23.676  4226.28    286.109 4122.63    350.442 4433.46    495.466 681.563 29.447  700.565 40.680  -19.00208      50.21934 
1 1 1 -4  5  40 o 932.164  26.207  7688.32    426.554 7368.44    603.206 8008.27    603.271 905.858 38.137  945.443 36.544  -39.58441      52.81912 
1 1 1 -4  5  41 o 113.947  10.733  114.620    21.103  113.499    29.613  115.777    30.081  112.712 15.454  113.843 15.539  -1.130508      21.91508 
1 1 1 -4  5  42 o 203.436  10.621  363.153    37.596  377.155    52.958  348.926    53.381  206.857 14.759  198.823 15.499  8.033203       21.40206 
1 1 1 -4  5  43 o 268.027  11.494  628.981    53.792  597.137    75.910  661.100    76.239  260.199 16.798  273.956 16.008  -13.75729      23.20372 
1 1 1 -4  5  44 o 342.488  14.375  1028.87    85.965  1011.96    148.857 1037.33    105.299 337.060 25.481  343.044 17.639  -5.984894      30.99084 
1 1 1 -4  5  45 o 552.278  19.672  2687.48    189.704 2569.80    328.626 2746.29    232.321 533.505 35.480  557.080 23.884  -23.57410      42.77013 
1 1 1 -4  5  46 o 196.617  12.595  340.224    43.012  322.888    74.496  348.893    52.679  189.732 22.954  198.744 15.298  -9.012024      27.58437 
1 1 1 -4  5  47 o 390.496  19.415  1344.68    132.376 1300.31    187.144 1389.11    187.272 380.876 28.343  394.063 27.387  -13.18674      39.41337 
1 1 1 -4  5  48 o 111.050  18.314  111.481    34.272  52.300     45.161  191.851    52.628  79.570  27.123  145.829 21.297  -66.25900      34.48519 
1 1 1 -4  5  49 o 56.842   19.250  26.506     22.745  -9.0320    34.867  52.833     30.010  48.447  21.308  76.249  21.573  -27.80192      30.32169 
1 1 1 -4  5  50 o 389.383  15.306  1333.95    104.062 1203.43    179.002 1400.57    127.894 365.468 28.271  398.310 18.389  -32.84177      33.72536 
1 1 1 -4  5  51 o 482.448  22.326  2068.60    188.075 2190.64    265.728 1946.09    266.230 491.523 31.123  461.971 33.227  29.55258       45.52643 
1 1 1 -4  5  52 o 71.269   18.288  46.626     22.870  34.379     30.633  62.051     34.377  64.937  22.334  82.266  23.024  -17.32945      32.07639 
1 1 1 -4  5  53 o 233.708  12.905  481.771    52.456  474.008    64.076  497.547    91.340  231.185 15.971  235.113 22.525  -3.928238      27.61300 
1 1 1 -4  5  54 o 46.851   15.214  18.754     14.242  22.832     18.940  13.450     21.602  52.341  17.567  47.681  18.371  4.659443       25.41782 
1 1 1 -4  5  55 o 253.263  11.293  563.924    49.940  506.072    70.144  623.394    71.118  238.305 16.968  265.050 15.434  -26.74521      22.93745 
1 1 1 -4  5  56 o 262.370  13.337  609.082    60.900  583.610    74.218  661.583    106.551 255.842 16.706  270.117 22.805  -14.27530      28.26889 
1 1 1 -4  5  57 o 191.583  12.768  325.435    42.467  313.514    51.452  350.913    75.218  187.238 15.888  195.986 22.382  -8.748611      27.44731 
1 1 1 -4  5  58 o 346.275  14.622  1064.09    88.411  941.777    107.924 1313.65    154.156 323.352 19.201  379.352 23.387  -55.99930      30.25971 
1 1 1 -4  5  59 o 142.760  10.846  180.726    26.833  154.956    36.679  210.395    39.356  130.769 16.426  153.103 14.911  -22.33424      22.18494 
1 1 1 -4  5  60 o 221.616  10.820  433.583    41.869  405.473    58.071  464.013    60.421  212.455 15.767  227.530 15.297  -15.07513      21.96809 
1 1 1 -4  5  61 o 132.345  12.650  156.853    28.876  144.529    34.648  184.879    52.251  126.002 16.118  140.525 22.018  -14.52351      27.28699 
1 1 1 -4  5  62 o 250.512  12.830  559.903    55.931  526.311    67.879  630.941    98.709  241.324 16.203  260.799 21.879  -19.47429      27.22532 
1 1 1 -4  5  63 o 125.964  12.569  142.691    27.275  123.316    32.498  188.868    50.170  115.756 16.550  141.848 20.881  -26.09280      26.64390 
1 1 1 -4  5  64 o 118.257  16.649  129.125    33.426  144.138    43.764  108.105    51.785  123.176 21.107  103.694 27.962  19.48278       35.03428 
1 1 1 -4  5  65 o 110.826  12.097  110.923    23.028  110.808    31.831  111.049    33.356  108.946 17.312  108.706 18.218  0.2394638      25.13183 
1 1 1 -4  5  66 o 38.734   15.161  8.7045     14.895  7.5327     20.854  9.9249     21.281  42.894  17.539  44.506  17.892  -1.612858      25.05485 
1 1 1 -4  5  67 o 60.772   17.296  35.033     19.232  -0.9158    31.674  56.026     24.205  47.150  20.533  76.271  18.390  -29.12088      27.56405 
1 1 1 -4  5  68 o 117.236  13.863  126.248    27.828  93.282     45.622  145.783    35.119  94.986  26.502  124.864 16.513  -29.87820      31.22577 
1 1 1 -4  5  69 o 30.603   13.676  -5.2194    14.945  20.105     20.615  -33.2768   21.698  49.857  18.201  28.877  13.983  20.97918       22.95214 
1 1 1 -4  5  70 o 162.858  11.122  239.447    31.438  240.821    44.381  238.063    44.540  160.534 16.048  159.494 16.219  1.040115       22.81676 
1 1 1 -4  5  71 o 124.905  11.684  142.135    25.185  145.553    35.862  138.807    35.378  123.620 17.070  120.544 17.305  3.076385       24.30694 
1 1 1 -4  5  72 o 90.133   13.321  75.815     20.332  86.957     28.571  64.382     28.941  94.357  17.998  79.737  20.630  14.61982       27.37779 
1 1 1 -4  5  73 o 40.585   16.503  8.3280     18.335  68.028     35.421  -13.5246   21.430  80.208  23.668  33.752  15.578  46.45664       28.33445 
1 1 1 -4  6  1  o 406.826  13.195  1452.85    93.729  1389.23    132.532 1516.51    132.574 396.629 19.137  414.599 18.313  -17.97006      26.48775 
1 1 1 -4  6  2  o 148.112  11.616  193.498    29.801  196.710    51.373  191.869    36.586  147.795 20.455  147.075 14.433  0.7200775      25.03447 
1 1 1 -4  6  3  o 163.456  10.601  235.050    30.094  254.213    36.928  197.159    51.927  169.766 12.547  147.921 20.669  21.84494       24.17935 
1 1 1 -4  6  4  o 248.274  15.721  544.403    67.801  528.795    96.041  559.910    95.731  243.108 22.895  250.412 22.122  -7.304123      31.83653 
1 1 1 -4  6  5  o 458.092  16.834  1848.21    134.650 1926.73    164.974 1691.53    233.043 466.814 20.240  432.716 31.050  34.09772       37.06465 
1 1 1 -4  6  6  o 389.756  15.078  1335.59    102.614 1403.52    125.755 1200.25    177.510 398.939 18.053  365.355 28.040  33.58356       33.34868 
1 1 1 -4  6  7  o 319.349  17.916  901.957    99.496  804.683    140.833 998.890    140.585 299.013 27.274  334.391 24.243  -35.37747      36.49119 
1 1 1 -4  6  8  o 395.187  15.158  1373.15    104.592 1470.32    128.145 1179.22    181.030 408.346 17.973  361.808 28.897  46.53827       34.02981 
1 1 1 -4  6  9  o 529.699  18.869  2476.48    174.514 2620.22    302.210 2404.56    213.756 538.371 32.298  520.387 23.525  17.98401       39.95730 
1 1 1 -4  6  10 o 502.628  18.036  2227.63    158.292 2547.17    274.124 2067.77    193.883 532.273 29.612  482.766 23.001  49.50610       37.49556 
1 1 1 -4  6  11 o 294.199  13.164  759.626    67.622  806.566    117.061 736.118    82.842  300.854 22.446  288.719 16.501  12.13501       27.85856 
1 1 1 -4  6  12 o 144.955  11.026  185.169    27.698  207.198    47.884  174.091    33.955  152.211 18.390  140.104 14.070  12.10747       23.15520 
1 1 1 -4  6  13 f 332.062  13.954  968.204    80.907  1038.84    140.059 932.826    99.117  341.365 23.644  324.941 17.534  16.42331       29.43588 
1 1 1 -4  6  14 o 574.972  24.578  2936.36    246.749 2834.94    348.822 3037.94    349.089 558.520 35.960  579.024 34.688  -20.50494      49.96376 
1 1 1 -4  6  15 o 500.931  17.562  2209.71    153.610 2024.85    188.058 2580.31    266.275 478.199 22.523  536.854 28.508  -58.65454      36.33171 
1 1 1 -4  6  16 o 442.375  13.337  1716.83    103.017 1633.37    118.922 1967.75    206.197 431.067 15.800  470.034 25.216  -38.96692      29.75724 
1 1 1 -4  6  17 o 340.815  12.230  1018.11    72.777  1041.72    84.016  947.144    145.658 344.537 13.966  325.533 25.838  19.00467       29.37101 
1 1 1 -4  6  18 o 531.537  15.739  2482.34    146.070 2532.25    168.644 2332.46    292.258 536.329 18.009  508.777 33.078  27.55164       37.66264 
1 1 1 -4  6  19 o 835.952  23.041  6181.42    336.312 6220.96    388.315 6062.75    672.751 836.823 26.576  809.480 47.810  27.34338       54.69970 
1 1 1 -4  6  20 o 220.334  10.089  424.852    38.814  432.803    44.811  400.965    77.670  222.001 11.601  212.154 21.253  9.846802       24.21284 
1 1 1 -4  6  21 f 324.139  14.219  921.385    80.473  972.781    98.573  818.685    139.341 332.305 17.046  302.738 26.631  29.56680       31.61947 
1 1 1 -4  6  22 o 202.375  10.113  358.329    35.735  356.422    50.650  360.218    50.426  201.091 14.523  202.183 14.377  -1.092194      20.43585 
1 1 1 -4  6  23 o 201.148  10.000  353.951    35.122  410.192    49.774  298.178    49.566  215.972 13.263  183.705 15.600  32.26747       20.47643 
1 1 1 -4  6  24 o 482.868  15.316  2044.99    129.132 2266.31    182.656 1823.85    182.583 507.379 20.618  454.114 23.103  53.26523       30.96505 
1 1 1 -4  6  25 o 104.475  9.0363  96.154     16.322  116.100    23.439  77.375     22.742  114.551 11.892  92.860  14.500  21.69138       18.75287 
1 1 1 -4  6  26 o 258.505  11.167  584.769    50.406  673.674    71.418  496.526    71.151  276.823 14.829  237.196 17.299  39.62633       22.78512 
1 1 1 -4  6  27 o 784.442  22.152  5421.23    303.420 5706.88    429.104 5135.59    429.096 801.532 30.660  759.616 32.352  41.91602       44.57243 
1 1 1 -4  6  28 o 888.545  25.193  6973.26    390.855 7195.14    552.739 6751.35    552.765 897.611 35.267  868.833 36.437  28.77789       50.70912 
1 1 1 -4  6  29 o 803.261  23.165  5688.44    324.902 5939.10    459.466 5437.75    459.496 817.067 32.206  781.134 33.689  35.93286       46.60670 
1 1 1 -4  6  30 o 357.157  15.244  1118.41    95.063  1106.56    116.498 1142.02    164.456 354.362 18.896  358.438 26.464  -4.076172      32.51800 
1 1 1 -4  6  31 o 483.507  17.686  2052.81    149.313 2126.07    182.960 1906.71    258.367 491.417 21.323  461.844 32.241  29.57272       38.65434 
1 1 1 -4  6  32 o 689.211  28.718  4211.26    345.591 4211.26    345.591 0.0000     0.0000  689.211 28.718  ?       ?       0.000000       28.71754 
1 1 1 -4  6  33 o 793.840  33.169  5617.28    459.751 5617.28    459.751 0.0000     0.0000  793.840 33.169  ?       ?       0.000000       33.16859 
1 1 1 -4  6  34 o 513.032  23.375  2322.28    209.388 2322.28    209.388 0.0000     0.0000  513.032 23.375  ?       ?       0.000000       23.37461 
1 1 1 -4  6  35 o 237.826  13.103  496.968    54.200  514.942    66.198  460.416    94.403  241.762 15.768  227.096 24.179  14.66632       28.86648 
1 1 1 -4  6  36 o 316.209  11.570  875.300    63.881  918.550    90.397  832.155    90.287  323.528 16.002  307.392 16.886  16.13586       23.26414 
1 1 1 -4  6  37 o 309.588  11.372  839.007    61.474  890.265    86.987  787.867    86.887  318.524 15.640  299.082 16.705  19.44199       22.88388 
1 1 1 -4  6  38 o 559.866  17.302  2754.06    169.143 2753.75    239.189 2754.37    239.219 558.039 24.548  558.101 24.548  -0.6231689E-01 34.71622 
1 1 1 -4  6  39 o 304.354  11.374  811.014    60.445  864.916    85.489  757.132    85.474  313.912 15.597  293.110 16.771  20.80173       22.90244 
1 1 1 -4  6  40 o 563.979  20.188  2802.78    198.804 2770.98    243.386 2866.54    344.617 559.419 24.917  564.086 35.164  -4.666565      43.09692 
1 1 1 -4  6  41 o 571.442  20.545  2879.51    204.998 2895.49    250.973 2847.48    355.341 571.612 25.146  561.221 36.459  10.39111       44.28983 
1 1 1 -4  6  42 o 316.592  12.350  878.368    68.272  851.912    96.396  904.995    96.707  310.649 17.847  320.306 17.356  -9.656555      24.89444 
1 1 1 -4  6  43 o 468.861  17.560  1934.66    143.757 2048.68    176.113 1706.99    248.858 481.668 20.940  434.886 33.019  46.78192       39.09945 
1 1 1 -4  6  44 o 64.761   17.798  38.081     20.747  62.652     28.603  10.799     30.140  82.628  20.033  52.612  21.243  30.01591       29.19888 
1 1 1 -4  6  45 o 25.630   12.362  -25.9429   16.558  0.0000     0.0000  -25.9429   16.558  ?       ?       25.630  12.362  0.000000       12.36227 
1 1 1 -4  6  46 o 413.618  20.253  1512.65    146.272 0.0000     0.0000  1512.65    146.272 ?       ?       413.618 20.253  0.000000       20.25339 
1 1 1 -4  6  47 o ?        ?       -176.0208  6.8342  0.0000     0.0000  -176.0208  6.8342  ?       ?       ?       ?       0.000000       ?        
1 1 1 -4  6  48 o 370.009  18.475  1210.00    119.360 0.0000     0.0000  1210.00    119.360 ?       ?       370.009 18.475  0.000000       18.47499 
1 1 1 -4  6  49 o 379.511  13.392  1266.29    88.740  1205.51    125.243 1327.56    125.752 368.343 19.543  387.328 18.594  -18.98550      26.97539 
1 1 1 -4  6  50 o 151.149  10.740  201.442    28.161  194.403    39.170  208.972    40.516  147.691 15.417  153.194 15.353  -5.502884      21.75777 
1 1 1 -4  6  51 o 172.617  10.653  262.524    31.952  250.283    44.603  275.427    45.794  167.685 15.406  176.047 15.042  -8.361588      21.53152 
1 1 1 -4  6  52 o 368.462  13.279  1196.39    85.431  1132.46    120.434 1261.15    121.204 356.098 19.443  376.686 18.428  -20.58813      26.78841 
1 1 1 -4  6  53 o 340.708  18.093  1035.84    107.248 0.0000     0.0000  1035.84    107.248 ?       ?       340.708 18.093  0.000000       18.09262 
1 1 1 -4  6  54 o 230.140  15.919  472.262    63.576  0.0000     0.0000  472.262    63.576  ?       ?       230.140 15.919  0.000000       15.91899 
1 1 1 -4  6  55 o 158.853  12.133  223.945    33.398  166.805    55.188  256.962    41.952  133.426 24.595  169.715 14.290  -36.28961      28.44475 
1 1 1 -4  6  56 o 273.724  13.458  663.812    64.323  654.438    78.615  682.797    111.882 270.225 16.744  272.553 23.747  -2.327911      29.05646 
1 1 1 -4  6  57 o 142.610  15.186  183.168    37.233  183.168    37.233  0.0000     0.0000  142.610 15.186  ?       ?       0.000000       15.18636 
1 1 1 -4  6  58 o 114.133  16.080  118.772    31.157  118.772    31.157  0.0000     0.0000  114.133 16.080  ?       ?       0.000000       16.07989 
1 1 1 -4  6  59 o 194.481  15.498  341.003    52.191  341.003    52.191  0.0000     0.0000  194.481 15.498  ?       ?       0.000000       15.49804 
1 1 1 -4  6  60 o 55.867   16.751  28.574     17.634  6.6361     20.731  85.995     33.539  42.653  17.469  95.079  20.783  -52.42542      27.14950 
1 1 1 -4  6  61 o 167.725  10.847  250.521    31.598  232.070    43.717  270.703    45.722  159.608 15.898  172.736 15.318  -13.12827      22.07720 
1 1 1 -4  6  62 o 84.270   13.446  65.118     19.119  68.592     25.574  60.717     28.787  85.217  17.763  79.440  20.586  5.776817       27.19017 
1 1 1 -4  6  63 o 63.674   15.330  38.162     16.840  53.346     22.472  18.716     25.432  74.903  17.498  52.067  19.964  22.83593       26.54727 
1 1 1 -4  6  64 f 134.119  11.036  161.492    25.616  138.431    35.080  187.835    37.493  121.830 16.950  143.009 15.250  -21.17908      22.80071 
1 1 1 -4  6  65 o 182.735  10.906  299.310    34.640  259.257    48.319  341.663    49.687  167.066 16.792  193.197 14.843  -26.13135      22.41114 
1 1 1 -4  6  66 o 88.106   13.855  72.008     20.610  66.930     29.192  77.055     29.103  82.469  20.388  89.031  19.279  -6.562019      28.06011 
1 1 1 -4  6  67 o 87.743   14.098  71.773     20.868  67.352     29.935  75.953     29.105  82.321  20.814  88.069  19.447  -5.748543      28.48487 
1 1 1 -4  6  68 o 132.779  13.344  162.065    30.519  145.948    51.184  170.955    38.016  118.532 25.488  134.675 16.512  -16.14272      30.36952 
1 1 1 -4  6  69 o 103.757  19.218  105.604    33.535  0.0000     0.0000  105.604    33.535  ?       ?       103.757 19.218  0.000000       19.21834 
1 1 1 -4  6  70 o 63.732   20.511  39.971     25.928  0.0000     0.0000  39.971     25.928  ?       ?       63.732  20.511  0.000000       20.51134 
1 1 1 -4  6  71 o 101.373  20.167  103.560    34.440  81.704     51.410  121.355    46.388  85.042  28.939  105.984 25.399  -20.94218      38.50438 
1 1 1 -4  7  1  o 112.256  11.044  111.469    21.367  95.203     26.218  143.642    36.872  103.023 15.016  126.600 17.119  -23.57673      22.77198 
1 1 1 -4  7  2  o 191.298  11.766  321.991    39.109  315.138    47.936  335.633    67.630  188.835 14.653  193.880 20.278  -5.044922      25.01814 
1 1 1 -4  7  3  o 348.542  12.341  1065.32    75.106  1126.92    86.759  881.119    150.031 358.268 13.869  313.032 27.736  45.23627       31.01057 
1 1 1 -4  7  4  o 397.027  13.476  1383.45    93.421  1394.82    107.902 1349.41    186.696 398.314 15.515  387.897 27.748  10.41705       31.79084 
1 1 1 -4  7  5  o 442.837  13.934  1721.62    107.743 1812.30    124.453 1450.31    215.270 454.011 15.699  400.990 30.986  53.02124       34.73635 
1 1 1 -4  7  6  o 825.642  26.931  6073.35    388.241 6390.19    475.533 5439.95    672.353 843.200 32.299  760.656 50.917  82.54333       60.29705 
1 1 1 -4  7  7  o 266.169  12.387  621.160    57.569  678.682    70.604  507.053    99.440  277.611 14.617  237.873 24.282  39.73750       28.34229 
1 1 1 -4  7  8  o 148.027  10.035  192.703    25.783  240.442    31.747  100.207    44.190  165.310 11.062  104.222 24.667  61.08739       27.03365 
1 1 1 -4  7  9  f 551.480  22.463  2691.07    216.306 3105.82    306.081 2277.28    305.726 588.745 29.872  501.392 35.144  87.35229       46.12409 
1 1 1 -4  7  10 o 230.355  14.964  467.895    59.861  489.939    84.923  446.126    84.392  234.656 20.947  223.633 21.893  11.02354       30.29983 
1 1 1 -4  7  11 o 79.691   13.839  57.301     18.557  62.027     26.794  52.945     25.726  82.292  19.027  76.064  19.330  6.227425       27.12370 
1 1 1 -4  7  12 o 301.071  16.426  798.891    86.025  859.863    121.854 738.311    121.462 311.112 22.586  287.732 24.406  23.37939       33.25331 
1 1 1 -4  7  13 o 45.663   12.167  18.905     9.8756  12.770     18.304  21.425     11.729  45.004  17.013  48.687  13.383  -3.683449      21.64560 
1 1 1 -4  7  14 o 244.555  12.486  525.352    53.140  532.829    65.104  510.424    91.984  245.930 15.236  239.450 22.255  6.480331       26.97111 
1 1 1 -4  7  15 o 712.859  20.641  4478.67    256.925 4567.10    296.658 4213.26    513.923 718.810 23.636  679.242 43.562  39.56787       49.56113 
1 1 1 -4  7  16 o 662.090  22.782  3870.17    263.371 3870.17    263.371 0.0000     0.0000  662.090 22.782  ?       ?       0.000000       22.78186 
1 1 1 -4  7  17 f 101.358  11.259  91.034     19.590  91.034     19.590  0.0000     0.0000  101.358 11.259  ?       ?       0.000000       11.25921 
1 1 1 -4  7  18 o 343.135  12.408  1031.23    74.340  1090.26    85.846  854.230    148.656 352.670 13.941  309.119 27.841  43.55093       31.13589 
1 1 1 -4  7  19 o 255.311  10.730  570.420    47.835  586.665    55.240  521.716    95.646  258.830 12.223  242.115 22.897  16.71568       25.95482 
1 1 1 -4  7  20 o 462.987  17.174  1882.55    138.837 1820.20    169.951 2007.65    240.723 454.509 21.415  474.630 29.188  -20.12048      36.20176 
1 1 1 -4  7  21 o 213.172  11.992  399.122    44.456  375.243    54.256  447.906    77.549  206.294 15.169  224.743 19.970  -18.44870      25.07768 
1 1 1 -4  7  22 o 243.254  12.290  519.460    52.031  512.006    63.627  534.504    90.399  241.148 15.189  245.432 21.306  -4.283752      26.16561 
1 1 1 -4  7  23 o 266.312  16.162  624.616    74.799  624.616    74.799  0.0000     0.0000  266.312 16.162  ?       ?       0.000000       16.16212 
1 1 1 -4  7  24 f 363.736  18.650  1165.97    118.051 1165.97    118.051 0.0000     0.0000  363.736 18.650  ?       ?       0.000000       18.65031 
1 1 1 -4  7  25 o 299.691  13.351  786.875    69.865  829.739    85.689  701.875    120.667 307.094 16.036  280.769 24.871  26.32565       29.59271 
1 1 1 -4  7  26 o 679.229  23.262  4071.12    275.888 4237.92    337.936 3737.78    477.731 691.356 27.994  641.406 42.904  49.95001       51.22942 
1 1 1 -4  7  27 o 455.627  17.504  1823.54    139.254 1850.61    170.600 1769.50    241.053 458.319 21.318  444.836 31.233  13.48254       37.81468 
1 1 1 -4  7  28 o 574.495  17.348  2899.05    174.015 2975.70    246.073 2822.37    246.116 580.350 24.284  565.014 24.947  15.33588       34.81438 
1 1 1 -4  7  29 o 323.642  13.723  918.015    77.550  880.153    94.844  994.385    134.701 316.082 17.250  334.863 23.180  -18.78146      28.89468 
1 1 1 -4  7  30 o 205.853  12.871  372.674    46.029  409.319    56.184  297.870    80.272  215.503 15.025  181.659 26.053  33.84380       30.07528 
1 1 1 -4  7  31 o 268.535  12.751  631.736    59.787  603.010    73.061  689.966    104.021 261.608 16.072  278.944 21.523  -17.33655      26.86210 
1 1 1 -4  7  32 o 422.209  16.856  1565.89    124.264 1611.11    152.096 1475.12    215.503 427.658 20.368  405.850 30.636  21.80835       36.78944 
1 1 1 -4  7  33 o 395.710  15.882  1374.72    109.733 1373.09    134.283 1377.99    190.380 394.921 19.474  392.958 27.929  1.963379       34.04754 
1 1 1 -4  7  34 o 301.136  14.074  795.271    74.004  797.257    90.472  791.255    128.645 300.678 17.306  297.943 24.958  2.735138       30.37109 
1 1 1 -4  7  35 o 240.723  10.996  507.340    46.220  516.444    65.256  498.174    65.476  242.046 15.522  237.655 15.870  4.390442       22.19897 
1 1 1 -4  7  36 o 535.465  19.334  2525.82    180.770 2437.10    221.272 2703.88    313.459 524.661 24.154  548.485 32.882  -23.82428      40.80011 
1 1 1 -4  7  37 o 220.113  10.234  424.093    39.335  429.969    55.565  418.190    55.690  220.877 14.488  217.781 14.732  3.095703       20.66213 
1 1 1 -4  7  38 o 403.361  13.090  1426.76    92.194  1525.89    130.371 1327.59    130.392 416.329 17.934  388.094 19.242  28.23523       26.30382 
1 1 1 -4  7  39 o 188.725  11.556  313.233    37.898  424.555    65.637  257.561    46.417  218.967 17.309  170.474 15.773  48.49350       23.41717 
1 1 1 -4  7  40 o 487.663  21.957  2104.64    186.967 2324.68    264.498 1884.88    264.324 508.786 29.905  456.372 33.403  52.41428       44.83339 
1 1 1 -4  7  41 o 212.113  15.039  397.392    55.338  500.340    78.410  295.228    78.111  237.368 19.080  180.475 25.497  56.89236       31.84572 
1 1 1 -4  7  42 o 40.569   15.640  9.4465     15.667  42.723     25.104  -11.7818   20.050  68.771  19.821  34.187  15.509  34.58431       25.16689 
1 1 1 -4  7  43 o 518.213  18.092  2370.19    163.703 2778.60    283.263 2165.38    200.594 555.512 29.307  493.567 23.276  61.94470       37.42564 
1 1 1 -4  7  44 o 28.644   12.121  0.3740     10.464  33.322     17.753  -17.1661   12.953  60.496  16.396  23.684  11.292  36.81209       19.90867 
1 1 1 -4  7  45 o 78.166   13.392  55.197     17.621  48.592     32.915  57.850     20.862  73.998  23.023  79.692  15.551  -5.694588      27.78277 
1 1 1 -4  7  46 o 370.182  13.906  1206.01    89.886  1167.07    155.874 1225.42    110.021 360.187 24.938  372.434 16.919  -12.24707      30.13544 
1 1 1 -4  7  47 o 267.438  12.403  628.782    57.916  613.008    100.524 636.619    70.858  261.180 22.255  268.220 15.192  -7.039612      26.94621 
1 1 1 -4  7  48 o 253.314  12.836  566.237    56.590  519.082    97.989  589.835    69.318  239.409 23.754  257.942 15.462  -18.53285      28.34344 
1 1 1 -4  7  49 o 178.567  10.710  281.129    33.239  269.421    47.119  292.726    46.896  173.812 15.695  181.403 14.938  -7.591309      21.66786 
1 1 1 -4  7  50 o 302.375  11.876  805.122    62.702  834.908    88.515  775.122    88.834  306.237 16.616  294.783 17.335  11.45404       24.01251 
1 1 1 -4  7  51 o 154.606  10.645  211.258    28.563  185.452    39.942  238.264    40.861  143.611 16.212  163.433 14.468  -19.82208      21.72964 
1 1 1 -4  7  52 o 114.592  10.914  116.687    21.575  98.741     30.001  135.907    31.048  103.931 17.129  122.929 14.760  -18.99764      22.61098 
1 1 1 -4  7  53 o 360.824  19.261  1174.76    120.908 1174.76    120.908 0.0000     0.0000  360.824 19.261  ?       ?       0.000000       19.26051 
1 1 1 -4  7  54 o 68.673   18.005  43.929     21.854  43.929     21.854  0.0000     0.0000  68.673  18.005  ?       ?       0.000000       18.00517 
1 1 1 -4  7  55 o 208.450  12.706  386.905    46.024  368.670    56.211  423.991    80.162  202.289 16.046  214.375 21.715  -12.08675      27.00044 
1 1 1 -4  7  56 o 131.233  12.600  154.348    28.517  147.056    34.632  169.703    50.257  127.080 15.960  134.278 22.212  -7.198380      27.35089 
1 1 1 -4  7  57 o 112.226  12.723  113.489    24.491  95.820     29.273  154.707    44.709  101.711 17.089  128.433 20.636  -26.72180      26.79316 
1 1 1 -4  7  58 o 146.645  15.350  195.624    38.722  195.729    52.873  195.502    56.867  143.907 21.718  142.866 23.622  1.041214       32.08858 
1 1 1 -4  7  59 o 71.437   17.756  48.395     22.052  36.007     28.404  67.193     34.988  63.538  21.511  83.098  23.217  -19.55997      31.65078 
1 1 1 -4  7  60 o 59.804   18.833  33.007     21.950  46.436     26.961  6.6087     37.801  69.762  20.665  54.072  22.969  15.69026       30.89701 
1 1 1 -4  7  61 o 102.407  16.774  98.248     28.955  106.548    38.934  87.977     43.313  104.406 22.048  93.349  25.741  11.05709       33.89290 
1 1 1 -4  7  62 o 120.913  12.840  133.053    26.694  130.912    32.184  137.771    47.782  118.660 15.937  117.531 24.093  1.128914       28.88666 
1 1 1 -4  7  63 o 18.640   9.1475  -20.2132   10.211  -19.8880   11.193  -21.8266   24.933  20.146  9.8200  34.902  16.341  -14.75582      19.06506 
1 1 1 -4  7  64 o 293.283  11.834  774.914    60.603  649.150    84.999  904.948    86.430  261.924 18.709  312.759 15.879  -50.83542      24.53872 
1 1 1 -4  7  65 o 70.813   17.005  48.570     20.761  40.109     31.209  55.286     27.806  65.168  22.536  74.490  20.657  -9.322311      30.57059 
1 1 1 -4  7  66 o 127.917  13.045  150.566    28.729  125.180    46.241  166.525    36.663  109.590 24.750  132.861 16.135  -23.27094      29.54502 
1 1 1 -4  7  67 o 203.709  16.901  393.634    59.574  364.485    84.772  422.075    83.738  185.298 26.994  203.068 24.086  -17.77017      36.17783 
1 1 1 -4  7  68 o 96.716   19.855  93.900     32.407  93.900     32.407  0.0000     0.0000  96.716  19.855  ?       ?       0.000000       19.85540 
1 1 1 -4  7  69 f 24.455   11.764  -20.3721   14.759  -18.0348   23.399  -21.9163   19.019  34.034  15.902  28.727  13.693  5.306826       20.98485 
1 1 1 -4  8  1  o 80.712   10.900  58.061     14.969  58.061     14.969  0.0000     0.0000  80.712  10.900  ?       ?       0.000000       10.90035 
1 1 1 -4  8  2  o 207.500  11.550  378.238    41.682  378.238    41.682  0.0000     0.0000  207.500 11.550  ?       ?       0.000000       11.55019 
1 1 1 -4  8  3  o 467.041  17.496  1917.97    142.677 1917.97    142.677 0.0000     0.0000  467.041 17.496  ?       ?       0.000000       17.49592 
1 1 1 -4  8  4  o 192.557  10.114  325.363    33.887  322.856    39.186  332.798    67.480  191.638 11.768  193.288 20.297  -1.649857      23.46210 
1 1 1 -4  8  5  o 589.146  18.032  3052.99    185.491 3011.29    214.212 3177.98    370.848 584.335 20.995  593.557 35.952  -9.221985      41.63346 
1 1 1 -4  8  6  o 282.723  11.226  699.856    55.419  647.979    64.001  855.304    110.789 271.870 13.482  310.843 20.528  -38.97296      24.55950 
1 1 1 -4  8  7  o 147.689  9.7449  191.664    24.988  179.576    28.859  227.883    49.954  142.726 11.682  159.952 18.211  -17.22601      21.63602 
1 1 1 -4  8  8  o 272.953  12.673  652.797    60.397  715.596    74.035  527.850    104.430 285.198 14.919  242.963 24.972  42.23573       29.08892 
1 1 1 -4  8  9  o 716.244  19.900  4518.51    248.874 4594.52    351.926 4442.47    351.995 719.135 28.027  706.920 28.517  12.21497       39.98421 
1 1 1 -4  8  10 o 42.318   10.891  16.269     8.0943  10.463     10.875  23.480     12.120  37.325  13.272  50.856  13.444  -13.53132      18.89169 
1 1 1 -4  8  11 o 298.418  11.422  779.707    59.514  794.678    84.059  764.661    84.272  300.423 16.083  294.620 16.447  5.803925       23.00393 
1 1 1 -4  8  12 o 274.515  11.020  659.659    52.822  620.282    74.575  699.303    74.827  265.304 16.176  281.894 15.259  -16.58957      22.23739 
1 1 1 -4  8  13 o 231.568  10.587  469.301    42.808  438.247    60.425  500.591    60.655  222.918 15.623  238.455 14.639  -15.53775      21.40957 
1 1 1 -4  8  14 o 407.166  16.017  1455.41    113.869 1455.41    113.869 0.0000     0.0000  407.166 16.017  ?       ?       0.000000       16.01663 
1 1 1 -4  8  15 o 478.473  17.467  2011.90    145.928 2011.90    145.928 0.0000     0.0000  478.473 17.467  ?       ?       0.000000       17.46703 
1 1 1 -4  8  16 o 752.177  25.425  5008.46    333.919 5008.46    333.919 0.0000     0.0000  752.177 25.425  ?       ?       0.000000       25.42484 
1 1 1 -4  8  17 o 278.187  12.886  678.052    62.590  678.052    62.590  0.0000     0.0000  278.187 12.886  ?       ?       0.000000       12.88557 
1 1 1 -4  8  18 o 149.250  14.133  197.041    36.391  197.041    36.391  0.0000     0.0000  149.250 14.133  ?       ?       0.000000       14.13277 
1 1 1 -4  8  19 o 471.526  21.527  1960.69    177.232 1960.69    177.232 0.0000     0.0000  471.526 21.527  ?       ?       0.000000       21.52657 
1 1 1 -4  8  20 o 257.037  15.944  582.208    71.205  582.208    71.205  0.0000     0.0000  257.037 15.944  ?       ?       0.000000       15.94414 
1 1 1 -4  8  21 o 479.589  21.884  2029.29    183.259 2044.37    259.052 2014.18    259.282 477.835 31.221  474.176 31.495  3.658600       44.34729 
1 1 1 -4  8  22 o 442.983  17.136  1724.43    132.543 1750.52    162.242 1672.06    229.827 445.625 20.851  432.103 30.661  13.52194       37.07884 
1 1 1 -4  8  23 o 346.438  14.801  1052.99    89.530  1048.91    109.527 1061.21    155.423 344.852 18.255  345.094 25.984  -0.2419128     31.75569 
1 1 1 -4  8  24 o 174.106  11.452  266.573    34.619  235.848    42.105  330.691    60.825  163.275 14.934  193.049 18.262  -29.77414      23.59072 
1 1 1 -4  8  25 o 89.894   15.124  72.836     22.896  67.459     31.591  78.785     33.230  85.781  21.211  92.714  21.012  -6.932526      29.85666 
1 1 1 -4  8  26 o 320.516  17.423  905.863    97.138  931.496    137.346 880.209    137.402 323.490 24.498  314.216 25.257  9.273956       35.18621 
1 1 1 -4  8  27 o 511.335  18.666  2301.60    166.655 2264.85    204.025 2375.29    288.895 506.134 23.086  514.304 32.335  -8.169830      39.73072 
1 1 1 -4  8  28 o 321.980  14.010  909.403    78.762  865.489    96.324  998.001    136.817 313.182 17.687  335.065 23.535  -21.88351      29.44014 
1 1 1 -4  8  29 o 343.673  14.815  1036.76    88.900  1062.98    108.746 983.934    154.362 347.089 18.005  331.723 26.882  15.36612       32.35450 
1 1 1 -4  8  30 o 129.204  10.103  147.005    22.612  165.076    31.788  128.496    32.171  136.533 13.511  119.935 15.743  16.59811       20.74586 
1 1 1 -4  8  31 o 560.735  16.630  2764.80    162.826 2831.64    230.229 2697.92    230.313 565.524 23.316  551.813 23.904  13.71112       33.39158 
1 1 1 -4  8  32 o 402.115  13.766  1418.83    96.651  1500.72    136.677 1336.92    136.693 412.621 18.971  388.696 20.210  23.92490       27.71899 
1 1 1 -4  8  33 o 127.606  10.888  143.655    24.028  144.683    34.328  142.667    33.644  127.345 15.776  126.478 15.563  0.8674164      22.16060 
1 1 1 -4  8  34 o 207.857  11.993  379.989    43.343  445.440    74.748  346.834    53.200  223.885 19.310  198.042 15.509  25.84238       24.76687 
1 1 1 -4  8  35 o 200.067  11.792  352.100    41.010  437.380    70.935  309.287    50.260  221.960 18.471  186.918 15.540  35.04211       24.13870 
1 1 1 -4  8  36 o 347.160  13.743  1058.35    83.304  1060.97    143.896 1057.03    102.165 344.732 24.057  346.429 16.890  -1.697388      29.39373 
1 1 1 -4  8  37 o 322.841  14.030  915.745    79.087  957.360    136.571 894.749    97.009  327.250 24.070  318.083 17.534  9.166931       29.77937 
1 1 1 -4  8  38 o ?        ?       -339.1218  7.3378  -285.3649  9.7547  -409.1855  11.136  ?       ?       ?       ?       0.000000       ?        
1 1 1 -4  8  39 o 397.524  14.298  1389.77    99.246  1363.38    140.097 1416.36    140.614 391.695 20.556  399.362 20.231  -7.667236      28.84170 
1 1 1 -4  8  40 o ?        ?       -162.9857  5.0590  -146.5173  8.6139  -171.6569  6.2505  ?       ?       ?       ?       0.000000       ?        
1 1 1 -4  8  41 o 144.223  10.562  183.386    26.412  166.575    36.769  201.307    37.965  136.573 15.705  150.501 14.632  -13.92850      21.46483 
1 1 1 -4  8  42 o 413.093  14.027  1502.63    101.174 1447.64    142.855 1557.97    143.309 403.078 20.364  418.935 19.591  -15.85626      28.25771 
1 1 1 -4  8  43 f 164.647  10.547  238.870    30.162  222.394    42.387  255.772    42.931  157.965 15.570  169.698 14.632  -11.73325      21.36619 
1 1 1 -4  8  44 o 206.463  11.712  375.953    42.047  348.003    72.989  389.835    51.441  196.195 21.668  209.779 14.126  -13.58386      25.86584 
1 1 1 -4  8  45 f 310.128  13.049  847.748    70.659  833.258    122.516 854.971    86.493  303.516 23.296  310.304 16.018  -6.788116      28.27144 
1 1 1 -4  8  46 o 171.622  11.707  260.496    34.871  251.486    60.659  264.944    42.618  166.134 21.409  172.553 14.273  -6.419037      25.73072 
1 1 1 -4  8  47 o 446.974  16.019  1774.70    125.018 1685.93    216.510 1819.10    153.125 426.351 29.261  450.693 19.458  -24.34195      35.13982 
1 1 1 -4  8  48 o 109.821  15.373  109.114    28.670  141.582    41.719  80.059     39.465  124.099 19.928  92.091  24.220  32.00867       31.36423 
1 1 1 -4  8  49 o 355.953  15.143  1127.07    94.115  1166.96    115.372 1047.72    162.717 360.178 18.407  334.749 28.099  25.42874       33.59076 
1 1 1 -4  8  50 o 138.777  11.831  171.454    28.394  174.694    34.996  165.211    48.575  139.403 14.594  133.287 21.612  6.115814       26.07779 
1 1 1 -4  8  51 o 70.485   14.561  45.839     17.328  48.508     21.875  41.344     28.391  72.054  17.550  67.560  21.434  4.494461       27.70247 
1 1 1 -4  8  52 o 116.816  10.600  121.543    21.385  134.925    30.606  108.777    29.893  122.087 14.650  108.994 16.200  13.09267       21.84182 
1 1 1 -4  8  53 o 48.512   13.720  21.573     12.141  46.507     18.722  3.4779     15.950  70.656  15.593  36.621  15.193  34.03541       21.77102 
1 1 1 -4  8  54 o 29.962   12.293  2.8217     10.289  2.6063     17.981  2.9265     12.545  38.045  15.983  32.666  13.507  5.379349       20.92604 
1 1 1 -4  8  55 o 132.730  11.018  157.499    25.303  162.888    35.760  152.097    35.808  133.457 15.643  128.657 16.306  4.800507       22.59580 
1 1 1 -4  8  56 o 69.094   14.214  44.456     16.575  60.441     23.072  27.404     23.829  80.020  17.035  56.584  19.685  23.43605       26.03224 
1 1 1 -4  8  57 o 103.029  13.580  97.072     23.834  94.750     28.521  102.447    43.396  100.599 16.832  101.310 24.745  -0.7115021     29.92697 
1 1 1 -4  8  58 o 46.600   16.197  18.270     16.131  16.879     18.401  22.889     33.532  46.785  17.178  58.012  22.737  -11.22706      28.49662 
1 1 1 -4  8  59 o 69.749   15.988  46.290     19.055  54.146     22.438  25.971     36.086  75.096  17.445  60.294  23.599  14.80241       29.34695 
1 1 1 -4  8  60 o 89.601   14.441  74.865     21.825  73.921     25.884  77.188     40.596  87.808  17.497  86.722  25.266  1.086441       30.73318 
1 1 1 -4  8  61 o 165.282  12.682  248.834    36.321  235.094    60.410  256.612    45.454  153.503 23.268  165.947 15.881  -12.44385      28.17110 
1 1 1 -4  8  62 o 151.333  15.913  214.615    41.419  230.987    56.651  195.814    60.709  152.679 21.875  136.836 26.365  15.84254       34.25870 
1 1 1 -4  8  63 o 157.033  15.551  231.180    42.080  219.199    57.626  244.867    61.592  147.027 23.218  155.316 23.441  -8.288605      32.99310 
1 1 1 -4  8  64 o 61.814   19.003  37.505     22.500  38.960     29.351  35.431     35.039  63.474  21.860  62.830  23.584  0.6434441      32.15691 
1 1 1 -4  8  65 o 151.066  16.431  217.926    42.642  219.962    59.822  215.822    60.800  144.670 24.560  142.498 25.366  2.172501       35.30775 
1 1 1 -4  8  66 o 97.156   18.837  94.428     30.801  112.360    42.815  75.193     44.344  102.059 24.364  82.002  26.857  20.05719       36.26120 
1 1 1 -4  8  67 o 53.938   18.572  27.642     21.185  33.720     27.010  17.926     34.152  58.994  20.923  53.644  22.242  5.349949       30.53610 
1 1 1 -4  9  1  o 458.597  17.206  1849.93    137.777 1828.31    168.768 1893.13    238.564 455.018 21.242  459.562 29.893  -4.543884      36.67161 
1 1 1 -4  9  2  o 509.624  18.350  2286.77    163.288 2298.32    200.023 2263.69    282.717 509.833 22.469  501.589 32.455  8.243713       39.47361 
1 1 1 -4  9  3  o 486.378  18.005  2082.20    152.908 2092.90    187.325 2060.83    264.699 486.641 22.046  478.784 31.844  7.856476       38.73090 
1 1 1 -4  9  4  o 108.472  11.342  104.170    21.165  102.669    26.011  107.111    36.409  107.244 14.243  108.558 19.943  -1.314453      24.50682 
1 1 1 -4  9  5  o 52.770   14.476  25.201     13.740  25.201     13.740  0.0000     0.0000  52.770  14.476  ?       ?       0.000000       14.47636 
1 1 1 -4  9  6  o 371.696  18.861  1219.97    122.011 1219.97    122.011 0.0000     0.0000  371.696 18.861  ?       ?       0.000000       18.86136 
1 1 1 -4  9  7  o 493.797  22.251  2155.18    191.845 2155.18    191.845 0.0000     0.0000  493.797 22.251  ?       ?       0.000000       22.25051 
1 1 1 -4  9  8  o 220.417  14.785  428.359    56.571  428.359    56.571  0.0000     0.0000  220.417 14.785  ?       ?       0.000000       14.78456 
1 1 1 -4  9  9  o 325.469  17.731  934.785    100.384 934.785    100.384 0.0000     0.0000  325.469 17.731  ?       ?       0.000000       17.73102 
1 1 1 -4  9  10 o 403.658  15.845  1431.49    111.675 1462.39    136.797 1369.74    193.359 407.389 19.231  391.154 28.507  16.23502       34.38740 
1 1 1 -4  9  11 o 220.233  10.248  424.563    39.408  388.781    55.521  460.893    55.945  209.868 15.256  228.769 14.074  -18.90173      20.75590 
1 1 1 -4  9  12 o 233.880  10.239  478.815    41.813  429.585    58.950  528.659    59.316  220.637 15.398  245.089 13.918  -24.45204      20.75621 
1 1 1 -4  9  13 o 374.490  12.991  1229.60    84.943  1232.68    120.040 1226.52    120.217 374.162 18.374  373.213 18.448  0.9487305      26.03699 
1 1 1 -4  9  14 o 134.059  9.6473  158.081    22.431  155.331    25.661  166.988    46.186  132.710 11.178  136.205 20.017  -3.495026      22.92677 
1 1 1 -4  9  15 o 407.206  13.498  1454.38    95.975  1424.33    110.747 1545.01    192.346 402.641 15.753  416.130 26.612  -13.48929      30.92442 
1 1 1 -4  9  16 o 995.893  27.690  8829.20    481.495 8438.81    555.942 10001.05   963.205 969.837 32.830  1031.77 53.650  -61.93646      62.89797 
1 1 1 -4  9  17 o 329.520  12.249  951.653    70.479  879.856    81.278  1169.28    141.506 316.576 14.704  362.944 22.439  -46.36804      26.82768 
1 1 1 -4  9  18 o 268.510  11.168  631.488    52.361  595.272    60.341  741.878    105.349 260.182 13.327  289.109 21.013  -28.92773      24.88284 
1 1 1 -4  9  19 o 546.525  15.798  2624.83    150.753 2457.76    173.993 3127.94    301.931 528.110 18.869  591.945 29.212  -63.83490      34.77620 
1 1 1 -4  9  20 o 629.818  18.510  3494.77    203.561 3372.90    234.981 3861.27    407.495 617.661 21.788  653.028 35.875  -35.36731      41.97330 
1 1 1 -4  9  21 o 270.293  11.441  640.088    53.997  624.725    62.217  686.977    108.697 266.522 13.412  277.717 22.612  -11.19504      26.29051 
1 1 1 -4  9  22 o 120.007  10.278  127.014    21.329  124.340    24.351  135.825    44.205  118.517 11.930  122.224 21.498  -3.707001      24.58657 
1 1 1 -4  9  23 o 274.548  11.249  660.389    53.927  636.960    62.138  731.884    108.548 269.455 13.207  286.837 21.837  -17.38245      25.52038 
1 1 1 -4  9  24 o 212.426  9.7849  395.027    36.293  410.941    41.716  345.476    73.612  216.298 11.083  196.440 21.830  19.85815       24.48257 
1 1 1 -4  9  25 f 82.207   10.454  60.132     14.666  65.222     16.468  40.624     32.240  85.540  11.303  69.300  22.910  16.24049       25.54610 
1 1 1 -4  9  26 o 220.488  10.402  425.789    40.045  415.178    46.020  458.879    81.264  217.257 12.181  226.908 20.740  -9.651215      24.05254 
1 1 1 -4  9  27 o 145.169  11.626  185.913    29.222  200.451    35.407  154.859    51.750  150.496 13.622  130.159 23.641  20.33733       27.28482 
1 1 1 -4  9  28 o 134.377  10.421  159.124    24.261  220.726    44.283  132.705    29.000  157.523 16.338  122.156 13.841  35.36761       21.41224 
1 1 1 -4  9  29 o 382.533  14.931  1286.72    99.732  1498.46    172.999 1181.32    122.055 409.730 24.290  365.191 19.209  44.53848       30.96731 
1 1 1 -4  9  30 o 501.362  17.767  2217.63    155.540 2400.35    269.559 2126.43    190.441 515.830 30.059  489.485 22.282  26.34521       37.41687 
1 1 1 -4  9  31 o 253.697  15.633  568.748    68.914  0.0000     0.0000  568.748    68.914  ?       ?       253.697 15.633  0.000000       15.63340 
1 1 1 -4  9  32 o 40.344   14.474  12.080     12.961  12.219     18.564  11.948     18.104  44.764  17.082  44.232  16.872  0.5319977      24.00961 
1 1 1 -4  9  33 o 237.595  12.192  496.875    50.410  361.783    86.106  567.320    62.179  199.722 25.256  253.587 14.098  -53.86560      28.92448 
1 1 1 -4  9  34 o 335.608  13.196  990.066    77.328  874.825    109.197 1105.99    109.521 313.469 20.056  353.294 17.811  -39.82501      26.82306 
1 1 1 -4  9  35 o 28.619   12.498  -2.5127    11.810  -0.2480    17.480  -4.4144    16.018  36.477  15.560  32.798  14.433  3.679218       21.22340 
1 1 1 -4  9  36 o 295.648  12.026  767.937    62.079  729.552    87.837  806.246    87.750  286.609 17.638  301.599 16.729  -14.99072      24.30902 
1 1 1 -4  9  37 o 388.874  13.316  1331.14    90.414  1360.34    127.842 1301.92    127.887 391.561 18.699  382.917 19.128  8.643372       26.74889 
1 1 1 -4  9  38 o 87.709   11.972  68.864     17.855  53.649     25.416  83.690     25.089  76.233  19.126  96.173  15.465  -19.94065      24.59614 
1 1 1 -4  9  39 o 248.825  11.271  544.200    48.969  526.091    69.211  562.353    69.295  243.210 16.394  251.635 15.852  -8.424942      22.80447 
1 1 1 -4  9  40 o 172.281  10.810  261.877    32.354  222.565    45.598  301.739    45.916  157.529 16.838  184.270 14.385  -26.74086      22.14614 
1 1 1 -4  9  41 o 158.749  10.378  222.431    28.608  233.578    40.408  211.230    40.507  161.893 14.447  153.695 15.297  8.197891       21.04076 
1 1 1 -4  9  42 o 143.956  11.815  183.842    29.437  213.536    51.234  169.209    35.966  153.248 19.596  137.323 15.258  15.92473       24.83521 
1 1 1 -4  9  43 o 250.216  16.229  559.524    70.523  490.918    99.953  627.533    99.517  230.538 25.243  262.630 21.901  -32.09164      33.41982 
1 1 1 -4  9  44 o 305.202  17.178  835.150    91.170  702.277    128.763 968.731    129.105 274.367 27.238  325.569 22.856  -51.20227      35.55701 
1 1 1 -4  9  45 o 60.729   17.904  33.704     20.278  10.332     29.394  54.928     28.011  51.182  20.864  76.569  20.530  -25.38643      29.27092 
1 1 1 -4  9  46 o 304.667  17.513  836.919    92.774  717.951    131.302 955.531    131.104 275.674 27.651  321.615 23.509  -45.94107      36.29377 
1 1 1 -4  9  47 f 170.381  10.312  257.178    30.533  224.183    42.590  292.066    43.794  157.499 15.696  180.543 14.002  -23.04434      21.03384 
1 1 1 -4  9  48 o 173.198  10.509  266.139    31.631  247.921    44.228  285.213    45.256  165.596 15.476  177.996 14.693  -12.39999      21.33943 
1 1 1 -4  9  49 o 224.773  12.711  451.334    49.683  410.473    60.358  537.197    87.495  212.729 16.376  240.726 21.027  -27.99673      26.65143 
1 1 1 -4  9  50 o 243.902  11.090  528.047    47.228  491.969    66.519  564.719    67.065  232.603 16.485  249.875 15.447  -17.27234      22.59138 
1 1 1 -4  9  51 o 76.859   12.122  53.888     15.729  53.494     22.208  54.285     22.282  75.229  17.272  75.800  17.226  -0.5708618     24.39367 
1 1 1 -4  9  52 o 55.547   13.892  28.832     13.439  36.883     19.083  20.911     18.929  62.504  17.024  50.081  17.537  12.42299       24.44137 
1 1 1 -4  9  53 o 40.374   13.875  13.596     11.822  9.4233     16.712  17.775     16.726  40.704  16.021  46.586  16.471  -5.882095      22.97686 
1 1 1 -4  9  54 o 94.962   10.753  81.411     17.516  80.470     25.097  82.305     24.458  92.600  16.107  93.920  15.452  -1.320053      22.32012 
1 1 1 -4  9  55 o 46.565   15.136  19.399     14.094  12.721     17.333  32.434     24.215  43.169  16.499  59.466  19.863  -16.29712      25.82152 
1 1 1 -4  9  56 o 54.012   16.710  27.246     17.366  26.343     26.759  27.903     22.826  56.345  20.712  55.897  19.276  0.4477997      28.29392 
1 1 1 -4  9  57 o 50.160   17.880  21.334     19.750  8.4231     25.444  40.906     31.327  46.175  19.176  65.731  22.587  -19.55627      29.62866 
1 1 1 -4  9  58 o 90.284   18.478  79.606     28.148  84.818     38.455  73.589     41.314  90.445  23.966  83.730  25.752  6.715149       35.17833 
1 1 1 -4  9  59 o 30.224   13.876  -10.3580   16.692  -9.2094    21.576  -12.0701   26.341  35.537  16.108  38.682  17.635  -3.144669      23.88477 
1 1 1 -4  9  60 o 200.515  15.794  378.418    54.848  280.175    76.629  481.621    78.539  160.256 28.426  220.948 20.595  -60.69199      35.10285 
1 1 1 -4  9  61 o 166.912  13.111  257.607    37.902  241.087    63.887  266.579    47.083  151.034 25.107  167.307 16.325  -16.27260      29.94796 
1 1 1 -4  9  62 o 157.177  12.899  228.958    35.087  185.621    59.299  252.305    43.524  129.462 27.102  163.021 15.476  -33.55922      31.20971 
1 1 1 -4  9  63 o 80.261   13.770  61.406     18.603  64.271     25.340  58.056     27.397  79.665  18.561  74.740  20.416  4.924690       27.59240 
1 1 1 -4  9  64 o 45.612   15.364  19.214     14.489  1.7167     19.056  43.193     22.307  37.286  16.081  64.983  18.671  -27.69693      24.64165 
1 1 1 -4  10 1  o 216.027  10.340  408.811    39.003  429.728    45.286  348.732    76.749  221.064 11.775  197.009 22.728  24.05469       25.59731 
1 1 1 -4  10 2  o 395.452  13.783  1373.50    95.172  1321.31    109.930 1529.66    190.159 387.414 16.251  413.219 26.495  -25.80472      31.08199 
1 1 1 -4  10 3  o 426.878  14.276  1601.13    106.406 1590.00    122.922 1634.42    212.527 424.920 16.568  426.270 28.721  -1.349792      33.15731 
1 1 1 -4  10 4  o 375.188  12.790  1235.28    83.787  1254.29    96.808  1178.50    167.271 377.758 14.677  362.475 26.615  15.28360       30.39361 
1 1 1 -4  10 5  o 481.478  15.597  2039.37    131.125 2000.76    151.446 2154.99    262.062 476.241 18.212  488.668 30.872  -12.42773      35.84373 
1 1 1 -4  10 6  o 258.841  10.850  587.089    49.038  613.636    56.738  508.714    97.490  264.491 12.286  238.166 23.760  26.32495       26.74871 
1 1 1 -4  10 7  o 183.961  10.238  297.336    32.754  293.340    37.961  308.978    64.798  182.504 11.979  185.863 20.297  -3.359894      23.56795 
1 1 1 -4  10 8  o 384.293  13.535  1296.76    90.819  1298.87    104.927 1290.47    181.337 384.236 15.640  379.011 27.591  5.224548       31.71504 
1 1 1 -4  10 9  o 174.751  9.9922  268.315    30.362  254.218    42.551  282.939    43.338  169.469 14.520  178.936 13.982  -9.467499      20.15772 
1 1 1 -4  10 10 o 195.465  10.460  335.663    35.570  317.599    50.003  354.168    50.609  189.435 15.246  200.219 14.576  -10.78403      21.09314 
1 1 1 -4  10 11 o 256.912  11.037  578.475    49.513  541.413    69.831  615.944    70.213  247.468 16.251  264.201 15.286  -16.73311      22.31038 
1 1 1 -4  10 12 o 422.353  16.272  1570.58    120.002 1493.63    146.785 1725.65    208.380 410.873 20.460  438.567 27.348  -27.69388      34.15468 
1 1 1 -4  10 13 o 196.193  12.173  338.937    41.495  332.919    50.338  351.695    73.298  194.010 14.975  198.114 21.536  -4.104630      26.23094 
1 1 1 -4  10 14 f 172.566  11.670  262.317    34.957  252.754    42.382  282.665    61.825  168.962 14.507  177.640 20.297  -8.678040      24.94791 
1 1 1 -4  10 15 o 260.457  12.539  595.318    57.025  568.851    69.558  649.568    99.585  253.743 15.778  269.956 21.300  -16.21327      26.50729 
1 1 1 -4  10 16 o 441.877  16.706  1720.52    128.897 1647.01    157.725 1868.32    223.653 431.198 20.949  455.776 28.243  -24.57773      35.16401 
1 1 1 -4  10 17 o 600.283  20.779  3191.81    217.788 3023.35    266.612 3529.65    377.566 581.740 26.247  622.310 34.888  -40.56989      43.65907 
1 1 1 -4  10 18 o 362.090  14.951  1153.41    94.525  1103.37    115.555 1254.62    164.332 352.881 18.822  374.200 25.300  -21.31851      31.53328 
1 1 1 -4  10 19 o 325.937  17.246  939.630    97.797  882.026    137.491 998.619    139.134 313.403 25.342  334.051 24.014  -20.64828      34.91273 
1 1 1 -4  10 20 o 159.773  11.101  224.907    30.778  200.540    37.013  279.517    55.410  150.355 14.270  176.994 18.188  -26.63977      23.11776 
1 1 1 -4  10 21 o 24.362   10.695  -2.3121    8.7488  -2.1324    9.3191  -3.6468    25.400  25.353  11.086  42.546  18.457  -17.19361      21.53096 
1 1 1 -4  10 22 o 292.234  13.080  750.325    66.742  760.489    81.361  729.413    116.702 293.336 15.945  285.180 23.650  8.156799       28.52321 
1 1 1 -4  10 23 o 701.814  23.658  4391.84    289.908 4139.44    354.887 4898.15    502.634 677.046 30.020  726.547 39.772  -49.50037      49.82977 
1 1 1 -4  10 24 o 530.498  19.486  2493.53    180.500 2374.98    220.841 2732.10    313.276 515.527 24.534  547.027 32.952  -31.50061      41.08250 
1 1 1 -4  10 25 o ?        ?       -93.0087   4.8265  -59.8706   5.7109  -175.8400  9.0290  ?       ?       ?       ?       0.000000       ?        
1 1 1 -4  10 26 o 422.847  13.239  1572.40    97.749  1346.94    112.607 2261.67    196.892 390.573 16.512  503.741 22.385  -113.1684      27.81612 
1 1 1 -4  10 27 o 432.553  12.450  1644.42    94.034  1588.12    108.352 1816.21    189.275 424.551 14.617  449.855 24.186  -25.30441      28.25922 
1 1 1 -4  10 28 o 27.725   12.022  -1.6411    10.766  3.4068     11.725  -28.7694   27.181  32.315  13.175  35.956  16.907  -3.641167      21.43473 
1 1 1 -4  10 29 o 21.928   9.6093  -1.7452    7.0347  0.3532     7.3050  -28.5387   26.102  24.015  10.143  34.996  16.491  -10.98114      19.36044 
1 1 1 -4  10 30 o 271.227  13.353  647.877    63.236  622.631    77.230  699.231    110.150 264.713 16.796  278.589 22.845  -13.87631      28.35513 
1 1 1 -4  10 31 o 124.594  10.387  137.213    22.390  150.152    32.541  125.579    30.856  129.633 14.633  118.274 15.300  11.35934       21.17075 
1 1 1 -4  10 32 o 246.087  12.936  534.953    55.387  506.547    67.624  592.848    96.540  238.613 16.329  256.447 21.765  -17.83379      27.20973 
1 1 1 -4  10 33 f 346.216  12.246  1055.53    74.026  1098.35    104.886 1013.03    104.494 351.744 17.078  337.118 17.815  14.62631       24.67845 
1 1 1 -4  10 34 o 231.192  10.644  469.900    42.967  520.652    60.999  419.920    60.532  242.226 14.489  217.020 16.089  25.20590       21.65144 
1 1 1 -4  10 35 o 505.977  15.906  2272.56    140.521 2359.11    198.697 2185.96    198.756 511.504 22.247  491.730 23.149  19.77460       32.10640 
1 1 1 -4  10 36 o 88.090   11.661  69.556     17.495  67.957     24.388  71.252     25.112  85.949  16.853  88.037  16.952  -2.087952      23.90361 
1 1 1 -4  10 37 o 105.768  23.252  105.345    41.772  105.345    41.772  0.0000     0.0000  105.768 23.252  ?       ?       0.000000       23.25206 
1 1 1 -4  10 38 o 211.309  15.400  399.434    56.429  425.422    80.264  374.035    79.349  215.676 21.604  201.516 22.961  14.16010       31.52699 
1 1 1 -4  10 39 o 189.708  14.933  322.288    49.063  367.317    70.105  279.060    68.689  200.563 20.298  173.336 23.284  27.22679       30.88956 
1 1 1 -4  10 40 f 197.291  15.456  349.591    52.818  316.565    75.437  381.350    73.977  184.086 24.044  203.736 21.101  -19.64983      31.98997 
1 1 1 -4  10 41 f 328.689  14.160  962.850    81.269  824.253    140.623 1032.35    99.583  294.801 27.642  338.924 16.828  -44.12271      32.36090 
1 1 1 -4  10 42 o 171.791  15.318  266.339    45.465  0.0000     0.0000  266.339    45.465  ?       ?       171.791 15.318  0.000000       15.31771 
1 1 1 -4  10 43 o 176.328  15.524  281.289    47.307  0.0000     0.0000  281.289    47.307  ?       ?       176.328 15.524  0.000000       15.52365 
1 1 1 -4  10 44 o 62.474   13.426  36.148     14.210  28.727     19.960  43.773     20.234  56.482  17.978  68.226  17.036  -11.74401      24.76765 
1 1 1 -4  10 45 o 116.686  10.780  121.790    21.715  123.850    30.526  119.679    30.898  116.263 15.418  114.074 15.948  2.189598       22.18225 
1 1 1 -4  10 46 o 113.476  10.903  115.445    21.336  105.098    30.003  126.030    30.348  106.364 16.706  117.239 15.181  -10.87508      22.57324 
1 1 1 -4  10 47 o 246.951  11.175  543.378    48.185  515.902    67.936  571.193    68.353  237.329 16.496  250.305 15.719  -12.97575      22.78675 
1 1 1 -4  10 48 o 91.846   13.152  77.289     20.489  88.390     25.541  57.250     34.318  97.504  15.523  76.629  23.454  20.87502       28.12549 
1 1 1 -4  10 49 o 58.358   14.330  32.078     14.495  41.134     19.376  20.567     21.845  65.655  16.825  51.010  18.719  14.64442       25.16906 
1 1 1 -4  10 50 o 88.113   12.181  71.044     18.240  61.650     24.416  82.905     27.436  80.011  17.922  93.273  17.489  -13.26196      25.04129 
1 1 1 -4  10 51 o 167.152  12.175  253.161    35.291  212.126    59.303  275.661    43.912  145.467 24.198  173.066 14.670  -27.59879      28.29741 
1 1 1 -4  10 52 o 66.393   18.294  42.931     21.886  31.915     28.217  59.567     34.674  59.842  21.368  76.767  23.589  -16.92538      31.82782 
1 1 1 -4  10 53 o 71.175   22.959  50.578     32.470  50.578     32.470  0.0000     0.0000  71.175  22.959  ?       ?       0.000000       22.95880 
1 1 1 -4  10 54 o 35.981   16.142  -6.7126    21.035  -6.7126    21.035  0.0000     0.0000  35.981  16.142  ?       ?       0.000000       16.14176 
1 1 1 -4  10 55 o 31.149   13.582  -1.3442    13.897  3.6834     21.403  -5.0089    18.273  40.645  17.275  33.977  15.158  6.667171       22.98192 
1 1 1 -4  10 56 o 103.994  16.882  104.626    29.603  60.370     40.095  157.661    43.893  75.565  25.558  125.223 20.805  -49.65738      32.95517 
1 1 1 -4  10 57 o 59.180   18.998  34.395     22.253  38.793     29.408  28.502     34.040  62.840  21.867  58.653  22.930  4.187035       31.68547 
1 1 1 -4  10 58 o 64.804   18.692  42.431     22.318  14.165     29.147  82.486     34.698  49.876  20.603  88.109  22.480  -38.23373      30.49313 
1 1 1 -4  10 59 o 43.172   17.061  12.587     19.027  19.153     24.359  2.3117     30.471  49.730  19.410  45.705  20.015  4.025150       27.88060 
1 1 1 -4  10 60 o 67.254   15.906  44.972     18.386  34.821     21.418  73.400     35.843  58.743  18.615  81.268  23.760  -22.52518      30.18332 
1 1 1 -4  10 61 o 33.951   14.021  4.8738     13.493  5.1279     15.893  4.2179     25.536  36.216  15.107  42.871  18.553  -6.655594      23.92540 
1 1 1 -4  11 1  o 372.424  15.878  1224.41    103.254 1088.82    126.612 1493.64    178.415 349.219 20.859  407.221 25.216  -58.00168      32.72570 
1 1 1 -4  11 2  o 272.316  13.702  654.373    64.943  620.302    79.786  721.266    111.794 264.249 17.389  283.353 22.789  -19.10358      28.66545 
1 1 1 -4  11 3  o 313.310  14.482  864.902    79.226  827.799    97.252  938.111    136.607 305.152 18.337  322.747 24.422  -17.59534      30.53978 
1 1 1 -4  11 4  o 378.076  15.079  1260.40    99.543  1313.37    122.277 1156.31    171.400 385.076 18.186  356.993 27.714  28.08206       33.14845 
1 1 1 -4  11 5  o 521.649  18.817  2412.65    171.397 2433.94    210.174 2370.38    296.146 521.942 23.062  507.681 33.598  14.26172       40.75143 
1 1 1 -4  11 6  o 198.710  10.430  347.316    36.060  355.327    42.000  324.849    70.339  200.750 12.038  189.808 21.609  10.94196       24.73536 
1 1 1 -4  11 7  o 169.873  12.028  254.786    35.446  248.315    43.625  267.358    60.806  167.147 15.111  172.227 20.631  -5.080536      25.57281 
1 1 1 -4  11 8  o 284.662  16.676  718.523    82.523  736.880    116.574 700.083    116.836 286.132 23.542  278.591 24.261  7.540497       33.80545 
1 1 1 -4  11 9  o 55.199   14.574  27.814     14.253  10.652     21.542  41.178     19.010  46.055  18.169  66.962  16.391  -20.90744      24.46985 
1 1 1 -4  11 10 f 608.284  21.045  3294.67    223.516 3190.49    386.651 3346.96    273.924 584.755 38.077  610.164 25.711  -25.40851      45.94438 
1 1 1 -4  11 11 o 73.332   15.067  49.135     18.647  85.071     29.619  25.539     24.001  96.459  18.255  56.634  19.752  39.82520       26.89576 
1 1 1 -4  11 12 o 189.678  12.804  317.868    42.158  336.900    71.397  307.680    52.236  193.283 21.521  185.923 16.254  7.360367       26.96925 
1 1 1 -4  11 13 o ?        ?       -101.6945  4.6642  -65.8693   5.0702  -298.9056  11.896  ?       ?       ?       ?       0.000000       ?        
1 1 1 -4  11 14 o 349.685  14.944  1078.79    91.246  1022.84    111.147 1194.45    159.802 338.956 18.854  363.625 25.327  -24.66873      31.57449 
1 1 1 -4  11 15 o 469.230  16.742  1948.04    137.166 1487.82    167.642 2880.16    238.582 406.741 23.708  566.530 24.119  -159.7890      33.81956 
1 1 1 -4  11 16 o 350.995  11.640  1082.67    71.338  981.711    82.243  1389.46    143.367 333.714 14.114  394.241 20.902  -60.52664      25.22087 
1 1 1 -4  11 17 o 525.632  16.181  2443.57    148.512 2468.22    171.439 2369.47    297.276 527.174 18.625  505.780 33.857  21.39456       38.64181 
1 1 1 -4  11 18 o 141.345  11.971  176.923    29.268  200.167    33.465  101.305    60.360  150.246 12.881  104.223 30.932  46.02306       33.50676 
1 1 1 -4  11 19 o 333.337  12.620  978.147    73.449  956.992    84.704  1042.27    147.463 329.218 14.735  339.146 25.080  -9.927673      29.08829 
1 1 1 -4  11 20 o 222.862  10.429  436.151    40.583  449.991    46.771  393.992    81.634  225.865 11.902  208.406 22.806  17.45908       25.72442 
1 1 1 -4  11 21 o 300.193  11.980  793.022    62.793  750.917    72.310  922.148    126.630 291.648 14.200  319.656 22.838  -28.00729      26.89256 
1 1 1 -4  11 22 o 145.243  10.242  186.185    25.807  203.105    29.363  128.744    54.102  151.581 11.173  116.810 27.057  34.77086       29.27332 
1 1 1 -4  11 23 f 181.992  11.953  292.841    37.773  263.187    45.501  358.585    67.749  171.775 15.331  199.469 19.710  -27.69395      24.97075 
1 1 1 -4  11 24 o 332.158  14.433  975.625    83.708  930.446    102.174 1067.86    145.985 322.684 18.209  342.616 24.566  -19.93225      30.57818 
1 1 1 -4  11 25 o 50.372   15.395  22.566     14.792  24.786     16.918  15.359     30.481  52.965  16.511  54.504  21.577  -1.538345      27.16943 
1 1 1 -4  11 26 o 403.155  15.700  1442.68    110.515 1301.97    135.044 1727.98    192.298 380.343 20.409  434.811 25.439  -54.46741      32.61449 
1 1 1 -4  11 27 o 148.890  12.001  196.751    30.934  183.215    37.087  227.701    56.080  142.954 15.086  157.829 20.861  -14.87511      25.74399 
1 1 1 -4  11 28 o 211.984  12.245  398.032    45.131  360.523    54.666  478.316    79.977  200.769 15.720  229.781 20.137  -29.01141      25.54604 
1 1 1 -4  11 29 o 220.280  14.992  433.094    57.319  400.258    79.378  468.870    82.857  209.070 22.078  226.851 21.163  -17.78110      30.58280 
1 1 1 -4  11 30 o 88.929   20.754  74.263     31.639  74.263     31.639  0.0000     0.0000  88.929  20.754  ?       ?       0.000000       20.75442 
1 1 1 -4  11 31 o 207.750  15.429  386.827    55.570  386.827    55.570  0.0000     0.0000  207.750 15.429  ?       ?       0.000000       15.42943 
1 1 1 -4  11 32 o 19.395   9.2087  -10.4331   8.4340  -10.4331   8.4340  0.0000     0.0000  19.395  9.2087  ?       ?       0.000000       9.208732 
1 1 1 -4  11 33 o 158.964  21.972  235.058    59.356  235.058    59.356  0.0000     0.0000  158.964 21.972  ?       ?       0.000000       21.97217 
1 1 1 -4  11 34 o 102.626  15.293  96.165     26.567  108.817    39.452  85.669     35.935  107.193 21.821  94.816  22.112  12.37657       31.06563 
1 1 1 -4  11 35 o 271.533  12.938  656.141    61.340  578.407    106.369 694.872    75.082  247.673 24.936  277.874 15.537  -30.20154      29.38014 
1 1 1 -4  11 36 o 267.592  13.568  640.841    63.188  540.342    109.785 690.625    77.270  237.258 26.981  276.466 16.076  -39.20868      31.40717 
1 1 1 -4  11 37 o 69.368   15.380  44.910     18.140  32.889     32.335  50.431     21.912  63.323  22.845  73.166  17.405  -9.843071      28.71964 
1 1 1 -4  11 38 o 201.239  10.387  359.813    36.374  328.956    51.630  390.220    51.253  190.281 15.679  208.055 14.193  -17.77385      21.14922 
1 1 1 -4  11 39 o 67.317   13.575  42.015     15.406  37.018     21.627  47.162     21.951  62.848  18.479  70.507  17.822  -7.658569      25.67267 
1 1 1 -4  11 40 o 194.327  10.495  336.431    35.479  247.374    49.817  428.095    50.540  163.442 17.741  217.973 13.343  -54.53113      22.19891 
1 1 1 -4  11 41 o 167.293  10.628  250.015    30.883  208.352    43.462  292.507    43.892  150.052 16.882  179.498 14.118  -29.44559      22.00721 
1 1 1 -4  11 42 o 51.800   14.972  24.976     14.306  32.463     19.358  15.966     21.236  58.793  17.533  47.890  18.272  10.90320       25.32299 
1 1 1 -4  11 43 o 201.534  10.758  363.620    37.721  362.499    53.101  364.763    53.593  198.655 15.430  199.215 15.530  -0.5599365     21.89204 
1 1 1 -4  11 44 o 143.070  10.645  183.895    26.403  186.678    37.095  181.038    37.588  142.133 15.182  139.695 15.681  2.437576       21.82614 
1 1 1 -4  11 45 f 254.323  13.049  587.672    57.750  504.806    99.646  629.581    70.865  223.179 26.062  261.076 15.617  -37.89755      30.38260 
1 1 1 -4  11 46 o 132.807  12.318  160.800    28.238  75.494     48.186  205.419    34.849  84.757  28.008  149.628 13.484  -64.87126      31.08425 
1 1 1 -4  11 47 o 79.905   18.456  62.667     25.231  42.606     33.735  88.136     38.010  66.818  23.411  92.460  23.496  -25.64258      33.16833 
1 1 1 -4  11 48 o 63.835   18.892  40.019     22.539  24.838     29.854  60.141     34.371  56.143  21.606  76.432  23.485  -20.28957      31.91162 
1 1 1 -4  11 49 o 65.758   15.648  41.889     17.707  65.498     29.397  28.447     22.182  80.236  20.808  55.410  19.008  24.82587       28.18291 
1 1 1 -4  11 50 o 22.926   10.982  -16.5705   12.556  0.0000     16.191  -41.5709   19.887  34.192  14.785  25.128  12.415  9.063841       19.30589 
1 1 1 -4  11 51 o 68.728   16.446  46.448     19.472  45.231     31.062  47.235     24.993  66.796  22.496  68.221  19.810  -1.424637      29.97521 
1 1 1 -4  11 52 f 34.288   14.446  2.9878     14.758  -5.6452    22.132  9.8997     19.803  36.994  16.579  42.308  17.171  -5.313774      23.86863 
1 1 1 -4  11 53 o 114.907  11.259  121.581    22.299  109.178    30.145  136.569    33.138  105.527 16.933  118.565 16.450  -13.03793      23.60762 
1 1 1 -4  11 54 o 43.918   15.920  16.504     15.730  11.510     18.313  30.556     30.718  41.999  16.694  57.814  21.995  -15.81486      27.61272 
1 1 1 -4  11 55 o 49.964   16.614  23.939     16.946  15.816     19.862  45.668     32.485  45.357  17.576  65.705  22.976  -20.34826      28.92763 
1 1 1 -4  11 56 o 66.389   16.246  44.404     18.679  43.083     21.987  47.831     35.412  64.428  18.544  66.453  23.915  -2.025070      30.26214 
1 1 1 -4  11 57 o 60.895   17.357  38.161     19.353  31.176     23.230  54.006     34.989  55.683  19.432  69.158  23.864  -13.47425      30.77489 
1 1 1 -4  12 1  o 235.697  12.820  492.105    52.563  524.726    64.899  429.906    89.616  242.645 15.398  216.270 24.144  26.37512       28.63576 
1 1 1 -4  12 2  o 39.440   14.487  11.047     13.088  15.066     18.438  6.9671     18.581  46.333  17.164  41.336  16.683  4.997398       23.93548 
1 1 1 -4  12 3  o 138.641  12.497  171.005    29.927  165.055    37.829  180.958    48.927  135.292 16.345  140.531 20.546  -5.238480      26.25464 
1 1 1 -4  12 4  o 297.543  11.999  780.852    62.339  780.782    72.211  781.056    123.514 297.006 13.924  292.054 24.446  4.952209       28.13330 
1 1 1 -4  12 5  o 117.265  12.853  122.866    25.885  122.866    25.885  0.0000     0.0000  117.265 12.853  ?       ?       0.000000       12.85273 
1 1 1 -4  12 6  o 98.045   11.252  85.763     18.913  86.506     22.300  83.860     35.700  98.046  13.375  94.572  22.029  3.473984       25.77165 
1 1 1 -4  12 7  o 323.509  14.923  928.395    84.294  767.328    103.388 1247.76    145.583 291.448 20.446  370.662 22.602  -79.21387      30.47761 
1 1 1 -4  12 8  o 344.886  15.056  1055.59    90.670  977.323    111.330 1209.76    156.255 329.555 19.433  363.489 24.767  -33.93396      31.48118 
1 1 1 -4  12 9  o 319.261  17.688  912.916    98.215  831.030    138.968 994.634    138.826 299.681 26.842  329.678 24.288  -29.99753      36.19951 
1 1 1 -4  12 10 o 178.141  12.076  281.303    37.340  260.007    64.082  292.252    45.946  168.160 22.381  180.952 14.668  -12.79201      26.75912 
1 1 1 -4  12 11 o 180.627  12.190  289.303    38.221  251.935    65.743  308.383    46.976  165.032 23.477  185.908 14.589  -20.87593      27.64052 
1 1 1 -4  12 12 o 171.722  12.068  261.572    35.955  207.071    61.776  289.493    44.216  148.867 24.627  180.176 14.169  -31.30801      28.41200 
1 1 1 -4  12 13 f 235.008  10.933  486.705    44.861  448.609    51.545  605.682    91.093  224.777 13.191  258.495 20.347  -33.71788      24.24865 
1 1 1 -4  12 14 o 37.918   13.465  11.037     11.191  12.461     12.224  3.6686     27.811  39.959  14.086  47.201  19.856  -7.241665      24.34496 
1 1 1 -4  12 15 o 139.299  10.375  171.833    25.054  161.469    28.493  207.155    52.604  134.628 12.255  150.180 20.604  -15.55243      23.97285 
1 1 1 -4  12 16 o 257.276  11.333  584.187    50.913  575.823    58.703  609.579    102.276 254.595 13.251  257.634 22.977  -3.039108      26.52409 
1 1 1 -4  12 17 o 168.482  10.476  251.140    30.666  255.556    35.238  237.356    62.257  169.622 11.975  159.839 22.967  9.783264       25.90115 
1 1 1 -4  12 18 f 264.270  11.377  616.850    52.497  603.380    60.571  657.512    105.240 260.474 13.363  267.415 22.755  -6.941620      26.38864 
1 1 1 -4  12 19 o 149.633  10.419  198.385    27.052  202.994    31.109  184.090    54.784  151.039 11.892  140.146 23.199  10.89288       26.06956 
1 1 1 -4  12 20 o 323.944  12.278  929.578    69.446  910.478    80.099  987.395    139.359 319.756 14.347  326.039 24.662  -6.283142      28.53124 
1 1 1 -4  12 21 f 244.121  12.878  530.381    54.700  490.075    66.539  614.395    96.066  233.236 16.444  258.572 21.472  -25.33607      27.04547 
1 1 1 -4  12 22 o 118.444  11.630  125.356    23.741  125.356    23.741  0.0000     0.0000  118.444 11.630  ?       ?       0.000000       11.62969 
1 1 1 -4  12 23 o 295.465  14.009  778.505    72.273  778.505    72.273  0.0000     0.0000  295.465 14.009  ?       ?       0.000000       14.00900 
1 1 1 -4  12 24 o 82.666   13.224  62.271     18.445  62.271     18.445  0.0000     0.0000  82.666  13.224  ?       ?       0.000000       13.22448 
1 1 1 -4  12 25 o 181.180  12.414  293.150    39.035  293.150    39.035  0.0000     0.0000  181.180 12.414  ?       ?       0.000000       12.41393 
1 1 1 -4  12 26 o 342.014  15.166  1050.68    90.566  1050.68    90.566  0.0000     0.0000  342.014 15.166  ?       ?       0.000000       15.16552 
1 1 1 -4  12 27 o 306.965  14.293  844.739    76.608  844.739    76.608  0.0000     0.0000  306.965 14.293  ?       ?       0.000000       14.29290 
1 1 1 -4  12 28 o 132.278  10.737  156.156    24.585  148.081    28.009  183.255    51.312  128.242 12.674  139.029 21.859  -10.78700      25.26756 
1 1 1 -4  12 29 o 156.362  10.577  217.844    28.709  191.626    32.737  305.139    59.736  145.848 12.991  181.355 19.154  -35.50748      23.14433 
1 1 1 -4  12 30 o 185.910  10.651  307.897    34.429  284.724    39.388  382.942    70.882  177.978 12.759  202.346 20.337  -24.36826      24.00856 
1 1 1 -4  12 31 o 158.729  10.183  224.488    28.072  199.759    31.978  307.576    58.617  148.959 12.408  181.854 18.728  -32.89465      22.46538 
1 1 1 -4  12 32 o 46.437   13.025  19.923     10.989  24.237     12.104  -0.3143    26.214  50.997  13.413  43.547  18.821  7.449905       23.11191 
1 1 1 -4  12 33 o 48.177   15.921  20.465     15.570  21.998     18.149  16.190     30.305  50.414  17.194  53.373  21.388  -2.958988      27.44265 
1 1 1 -4  12 34 o 84.845   10.908  65.234     15.785  47.867     17.601  136.627    35.685  71.437  14.603  120.656 17.445  -49.21935      22.75059 
1 1 1 -4  12 35 o 157.253  10.522  221.581    28.725  198.490    32.881  295.993    59.027  147.853 12.865  176.749 19.448  -28.89563      23.31794 
1 1 1 -4  12 36 o 51.331   14.740  24.677     13.907  23.014     21.514  25.870     18.226  52.276  18.659  53.177  17.206  -0.9008522     25.38109 
1 1 1 -4  12 37 o 232.010  11.005  482.687    44.584  443.896    63.155  521.224    62.948  218.258 16.699  237.824 15.239  -19.56567      22.60671 
1 1 1 -4  12 38 o 119.342  11.115  128.980    22.894  114.086    33.232  142.436    31.586  109.044 18.088  123.761 14.917  -14.71700      23.44539 
1 1 1 -4  12 39 o 67.718   13.958  43.349     15.955  54.293     23.156  33.457     22.015  74.522  17.998  59.270  18.882  15.25199       26.08598 
1 1 1 -4  12 40 o 182.331  12.657  303.840    40.046  302.255    69.334  304.633    49.057  172.848 23.589  180.411 15.730  -7.563583      28.35291 
1 1 1 -4  12 41 o 110.057  17.151  116.454    31.884  110.585    43.984  122.953    46.284  102.288 24.868  107.884 25.051  -5.595177      35.29860 
1 1 1 -4  12 42 o 65.416   19.313  42.607     23.580  37.943     31.876  48.243     35.043  63.280  22.699  69.288  23.884  -6.007813      32.94954 
1 1 1 -4  12 43 o 86.031   18.221  73.401     26.520  37.896     37.481  108.995    37.528  64.213  24.328  103.127 21.536  -38.91363      32.49081 
1 1 1 -4  12 44 o 128.131  10.747  149.717    23.821  101.318    32.418  206.516    35.119  100.628 19.150  148.760 13.674  -48.13182      23.53067 
1 1 1 -4  12 45 o 114.151  13.141  121.862    25.714  68.035     42.697  152.496    32.210  78.352  26.375  126.737 14.836  -48.38471      30.26138 
1 1 1 -4  12 46 o 87.745   14.699  73.997     21.724  59.557     35.766  82.438     27.346  74.119  24.112  90.859  17.874  -16.74086      30.01446 
1 1 1 -4  12 47 o 51.326   16.740  25.354     17.235  24.941     26.699  25.649     22.567  53.698  20.488  52.792  19.078  0.9064980      27.99516 
1 1 1 -4  12 48 o 35.801   14.494  6.7832     14.071  30.917     19.586  -18.9591   20.228  55.756  17.815  30.549  14.432  25.20706       22.92713 
1 1 1 -4  12 49 o 34.473   14.152  5.4427     13.645  4.1818     18.709  6.8757     19.945  38.013  16.153  40.304  16.878  -2.290878      23.36203 
1 1 1 -4  12 50 o 40.597   15.111  13.496     14.327  10.725     19.694  16.610     20.880  42.041  17.101  46.058  17.972  -4.017071      24.80768 
1 1 1 -4  12 51 o 32.806   14.231  0.5520     15.099  -5.5191    17.883  15.626     28.179  32.669  14.749  48.753  20.208  -16.08383      25.01776 
1 1 1 -4  12 52 f 41.400   16.111  13.102     16.745  16.685     20.016  4.7457     30.566  45.310  17.619  45.385  19.956  -0.7511520E-01 26.62105 
1 1 1 -4  13 1  o 84.222   17.634  66.767     25.100  66.767     25.100  0.0000     0.0000  84.222  17.634  ?       ?       0.000000       17.63373 
1 1 1 -4  13 2  o 292.988  11.838  763.942    60.563  736.204    69.914  847.326    121.218 286.552 13.973  299.753 23.344  -13.20084      27.20678 
1 1 1 -4  13 3  o 141.213  15.264  181.555    37.038  139.327    51.555  226.598    53.246  119.197 25.540  155.788 20.039  -36.59153      32.46280 
1 1 1 -4  13 4  o 256.497  16.444  597.982    73.261  585.020    103.456 611.020    103.757 248.136 24.186  254.061 23.661  -5.924896      33.83500 
1 1 1 -4  13 5  o 141.267  15.006  181.467    36.449  176.256    52.138  186.449    50.974  135.826 22.791  140.426 21.471  -4.600189      31.31250 
1 1 1 -4  13 6  o 31.182   13.320  0.0685     12.842  -14.0320   19.786  10.333     16.881  32.650  15.034  41.622  16.182  -8.972431      22.08800 
1 1 1 -4  13 7  o 156.410  10.421  217.752    28.298  212.276    32.891  233.352    55.517  153.829 12.350  157.742 20.652  -3.913025      24.06321 
1 1 1 -4  13 8  o 171.826  10.257  262.490    30.634  278.434    35.595  216.947    60.157  176.545 11.612  150.378 23.695  26.16716       26.38729 
1 1 1 -4  13 9  o 183.861  10.805  301.051    34.535  280.941    40.170  358.031    67.617  176.772 13.108  196.104 20.028  -19.33205      23.93638 
1 1 1 -4  13 10 o 162.912  12.069  237.817    34.086  208.324    41.868  295.790    58.700  150.884 16.142  178.528 19.129  -27.64409      25.02948 
1 1 1 -4  13 11 o 133.384  11.911  159.752    27.448  143.186    32.768  198.711    50.252  125.082 15.324  145.339 20.361  -20.25757      25.48313 
1 1 1 -4  13 12 o 323.481  18.290  961.997    102.881 961.997    102.881 0.0000     0.0000  323.481 18.290  ?       ?       0.000000       18.28975 
1 1 1 -4  13 13 o 251.204  13.382  567.480    58.486  567.480    58.486  0.0000     0.0000  251.204 13.382  ?       ?       0.000000       13.38223 
1 1 1 -4  13 14 f 126.614  12.199  144.431    26.636  144.431    26.636  0.0000     0.0000  126.614 12.199  ?       ?       0.000000       12.19917 
1 1 1 -4  13 15 o 83.794   13.775  64.650     19.454  64.650     19.454  0.0000     0.0000  83.794  13.775  ?       ?       0.000000       13.77478 
1 1 1 -4  13 16 o 89.444   17.732  75.662     26.715  75.662     26.715  0.0000     0.0000  89.444  17.732  ?       ?       0.000000       17.73228 
1 1 1 -4  13 17 o 186.437  16.091  318.647    51.869  318.647    51.869  0.0000     0.0000  186.437 16.091  ?       ?       0.000000       16.09125 
1 1 1 -4  13 18 o 266.655  16.238  651.020    75.245  651.020    75.245  0.0000     0.0000  266.655 16.238  ?       ?       0.000000       16.23824 
1 1 1 -4  13 19 f 219.062  15.724  439.266    59.744  439.266    59.744  0.0000     0.0000  219.062 15.724  ?       ?       0.000000       15.72406 
1 1 1 -4  13 20 o 188.994  12.329  321.760    40.462  288.067    49.558  389.120    70.073  176.792 16.236  203.021 20.028  -26.22903      25.78241 
1 1 1 -4  13 21 o 140.970  12.612  180.008    30.715  136.182    37.543  268.731    53.417  119.929 18.525  169.316 18.363  -49.38750      26.08397 
1 1 1 -4  13 22 o 51.629   16.310  24.393     16.452  8.3037     19.606  62.681     30.246  42.199  17.100  79.814  21.305  -37.61522      27.31841 
1 1 1 -4  13 23 o 210.180  12.579  399.343    45.952  347.201    56.096  505.704    80.118  193.363 16.781  230.741 20.086  -37.37784      26.17366 
1 1 1 -4  13 24 o 54.126   16.216  27.446     16.531  2.7682     19.594  88.387     30.791  39.177  16.584  95.610  19.112  -56.43299      25.30418 
1 1 1 -4  13 25 o 25.574   11.729  -7.8801    11.881  -11.0056   13.596  2.2159     24.435  26.469  12.284  42.835  18.337  -16.36615      22.07160 
1 1 1 -4  13 26 o 111.735  10.655  112.745    20.536  106.687    23.258  134.180    43.747  107.968 12.573  116.090 22.394  -8.122849      25.68167 
1 1 1 -4  13 27 o 142.573  11.083  183.632    27.372  181.014    31.247  192.270    56.756  140.740 12.857  137.629 24.516  3.110992       27.68322 
1 1 1 -4  13 28 o 168.329  10.957  255.693    32.028  257.692    36.857  249.527    64.727  168.089 12.651  156.822 24.434  11.26706       27.51509 
1 1 1 -4  13 29 o 98.175   11.341  87.966     19.083  88.203     21.527  87.096     41.236  97.687  12.939  91.024  25.123  6.662819       28.25909 
1 1 1 -4  13 30 o 134.890  10.978  164.986    25.632  165.240    29.180  164.130    53.629  134.216 12.599  125.226 25.396  8.990082       28.34936 
1 1 1 -4  13 31 o 163.846  10.865  243.117    30.906  221.777    35.300  313.180    63.960  155.167 13.153  177.894 20.996  -22.72684      24.77570 
1 1 1 -4  13 32 o 127.021  10.548  146.371    23.182  127.431    26.262  213.219    49.338  117.297 13.044  147.244 19.683  -29.94714      23.61250 
1 1 1 -4  13 33 o 143.897  12.955  191.400    32.202  184.223    38.678  207.615    58.136  139.011 16.241  140.649 24.567  -1.637878      29.44986 
1 1 1 -4  13 34 o 145.831  12.515  196.235    31.558  193.309    37.851  202.906    57.154  142.786 15.427  138.604 24.513  4.181992       28.96323 
1 1 1 -4  13 35 o 164.874  12.166  250.299    34.777  226.030    41.805  304.835    62.668  153.972 15.773  173.565 21.113  -19.59268      26.35428 
1 1 1 -4  13 36 o 59.257   20.295  34.371     25.285  15.202     37.623  50.161     34.145  54.301  22.982  69.243  23.585  -14.94212      32.93039 
1 1 1 -4  13 37 o 133.514  16.777  173.529    38.248  191.060    56.242  158.446    52.169  132.178 25.291  119.600 25.744  12.57767       36.08809 
1 1 1 -4  13 38 o 64.046   19.695  42.156     24.167  42.156     24.167  0.0000     0.0000  64.046  19.695  ?       ?       0.000000       19.69522 
1 1 1 -4  13 39 o 63.722   22.437  41.933     31.008  41.933     31.008  0.0000     0.0000  63.722  22.437  ?       ?       0.000000       22.43724 
1 1 1 -4  13 40 o 96.007   14.288  88.705     23.222  91.357     38.816  87.227     28.980  90.102  24.172  92.354  18.614  -2.252785      30.50866 
1 1 1 -4  13 41 o 43.264   16.024  15.768     16.068  21.535     25.748  12.089     20.565  50.985  19.940  43.414  17.540  7.571026       26.55683 
1 1 1 -4  13 42 o 65.999   17.147  44.642     19.940  34.154     23.972  68.192     35.922  57.817  19.761  77.075  24.063  -19.25829      31.13752 
1 1 1 -4  13 43 f 74.689   16.714  56.821     21.253  51.473     25.645  68.549     37.975  69.103  20.067  76.276  24.847  -7.172470      31.93841 
1 1 1 -4  13 44 o 36.015   14.926  6.0112     15.370  17.551     19.164  -14.7952   25.732  45.505  17.358  36.051  16.787  9.454288       24.14799 
1 1 1 -4  13 45 o 34.158   14.767  1.6460     16.145  -4.3774    19.449  14.998     28.957  34.333  15.452  48.331  20.293  -13.99745      25.50605 
1 1 1 -4  13 46 o 50.903   17.192  26.179     18.142  28.878     21.716  19.942     33.012  53.180  18.771  51.592  21.665  1.587616       28.66537 
1 1 1 -4  13 47 o 56.928   17.429  34.281     18.949  42.661     22.681  14.911     34.482  62.436  19.059  49.890  21.574  12.54591       28.78745 
1 1 1 -4  14 1  o 90.503   13.517  76.382     20.706  66.304     24.581  100.998    38.419  82.473  17.606  99.367  22.647  -16.89358      28.68540 
1 1 1 -4  14 2  o 92.336   13.598  79.497     21.267  71.078     25.411  99.180     38.853  85.468  17.614  98.218  23.051  -12.75036      29.01043 
1 1 1 -4  14 3  o 77.006   13.997  55.900     18.127  48.017     21.879  73.157     32.372  69.950  17.854  84.785  21.758  -14.83528      28.14545 
1 1 1 -4  14 4  o 77.051   17.329  57.857     22.749  57.857     22.749  0.0000     0.0000  77.051  17.329  ?       ?       0.000000       17.32911 
1 1 1 -4  14 5  o 62.358   17.570  37.886     19.949  37.886     19.949  0.0000     0.0000  62.358  17.570  ?       ?       0.000000       17.56977 
1 1 1 -4  14 6  o 63.199   17.213  38.918     19.508  38.918     19.508  0.0000     0.0000  63.199  17.213  ?       ?       0.000000       17.21295 
1 1 1 -4  14 7  o 151.687  15.092  214.906    39.440  214.906    39.440  0.0000     0.0000  151.687 15.092  ?       ?       0.000000       15.09153 
1 1 1 -4  14 8  o 141.097  15.018  186.118    36.430  186.118    36.430  0.0000     0.0000  141.097 15.018  ?       ?       0.000000       15.01789 
1 1 1 -4  14 9  o ?        ?       -38.7193   5.2002  -38.7193   5.2002  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 -4  14 10 o 108.852  15.629  112.182    28.853  103.981    39.520  121.542    42.222  100.412 23.031  108.852 22.938  -8.439880      32.50520 
1 1 1 -4  14 11 o 55.775   15.407  29.905     15.502  5.6911     23.246  49.296     20.803  43.047  18.133  71.022  17.001  -27.97438      24.85682 
1 1 1 -4  14 12 f 116.939  10.932  124.398    22.062  124.403    25.090  124.381    46.322  116.205 12.566  108.487 24.971  7.717659       27.95481 
1 1 1 -4  14 13 o 165.108  12.538  250.027    35.877  250.027    35.877  0.0000     0.0000  165.108 12.538  ?       ?       0.000000       12.53826 
1 1 1 -4  14 14 o 143.724  12.069  189.203    30.006  189.203    30.006  0.0000     0.0000  143.724 12.069  ?       ?       0.000000       12.06868 
1 1 1 -4  14 15 o 33.787   13.445  6.1978     11.892  6.1978     11.892  0.0000     0.0000  33.787  13.445  ?       ?       0.000000       13.44517 
1 1 1 -4  14 16 o 65.876   13.895  41.428     15.480  32.649     17.319  76.300     34.517  57.913  16.389  85.377  22.745  -27.46437      28.03471 
1 1 1 -4  14 17 o 202.459  11.171  372.809    39.338  339.093    45.254  477.072    79.581  191.189 13.646  218.402 21.132  -27.21397      25.15516 
1 1 1 -4  14 18 o 80.147   12.472  60.030     16.886  54.818     19.095  78.729     36.170  75.457  15.021  86.061  23.437  -10.60401      27.83772 
1 1 1 -4  14 19 o 37.883   13.723  11.538     11.686  10.662     13.000  15.225     26.673  38.057  14.349  49.310  19.958  -11.25356      24.58048 
1 1 1 -4  14 20 o 187.220  12.432  323.096    40.410  292.510    48.881  389.124    71.820  174.945 16.186  196.017 21.328  -21.07269      26.77440 
1 1 1 -4  14 21 o 78.069   12.537  57.253     16.512  59.001     18.645  50.896     35.547  78.581  14.107  69.810  24.056  8.770958       27.88730 
1 1 1 -4  14 22 o 96.726   12.132  87.050     20.039  86.410     22.807  89.215     41.962  95.361  14.125  89.371  25.587  5.990013       29.22712 
1 1 1 -4  14 23 o 156.110  10.533  222.255    28.543  204.566    32.655  279.521    58.755  148.294 12.735  165.675 20.767  -17.38124      24.36087 
1 1 1 -4  14 24 o 134.287  11.150  165.753    25.908  153.104    29.568  207.574    53.764  127.578 13.477  140.371 22.711  -12.79352      26.40929 
1 1 1 -4  14 25 o 66.701   13.652  42.892     15.364  38.778     17.187  59.259     34.279  62.553  15.747  73.697  23.571  -11.14387      28.34673 
1 1 1 -4  14 26 o 166.190  12.813  258.146    36.894  248.519    45.196  277.370    63.871  159.739 16.439  160.859 23.429  -1.119766      28.62055 
1 1 1 -4  14 27 f 85.287   15.353  71.186     22.023  69.673     26.250  74.781     40.469  82.320  18.690  80.541  25.595  1.778969       31.69221 
1 1 1 -4  14 28 o 44.941   15.725  18.350     15.217  25.443     17.540  -3.2334    30.596  51.165  16.897  43.449  19.482  7.715347       25.78841 
1 1 1 -4  14 29 o 34.360   14.076  5.5850     13.462  6.8528     15.243  1.0921     28.695  36.679  14.996  43.612  19.249  -6.933372      24.40125 
1 1 1 -4  14 30 o 44.241   18.010  12.444     21.866  37.395     31.656  -10.3239   30.240  60.565  22.479  40.836  18.722  19.72961       29.25435 
1 1 1 -4  14 31 o 47.066   16.678  20.578     17.158  13.123     20.427  38.443     31.621  43.703  17.543  60.885  22.492  -17.18187      28.52513 
1 1 1 -4  14 32 o 129.478  13.205  159.866    29.436  128.622    35.570  227.755    52.432  111.266 18.990  145.899 21.202  -34.63380      28.46350 
1 1 1 -4  14 33 o 89.062   15.277  78.713     22.902  67.570     27.453  104.213    41.532  79.123  19.893  93.826  24.928  -14.70293      31.89205 
1 1 1 -4  14 34 o 50.724   18.263  24.981     20.654  33.084     26.621  12.727     32.737  56.737  20.688  49.179  21.144  7.558338       29.58132 
1 1 1 -4  14 35 o 25.591   12.185  -16.2215   14.978  -34.3852   21.417  1.1681     20.956  27.463  13.429  37.775  16.569  -10.31267      21.32752 
1 1 1 -4  14 36 o 37.648   16.221  3.7742     19.347  8.3306     25.913  -1.9649    29.082  43.803  18.821  41.869  18.865  1.933868       26.64798 
1 1 1 -4  14 37 o 109.713  14.154  118.442    26.482  102.408    31.981  153.417    47.235  97.218  19.518  113.328 24.578  -16.10942      31.38548 
1 1 1 -4  14 38 o 40.131   16.348  10.670     18.032  27.110     22.298  -20.3982   30.653  51.681  18.920  37.445  17.713  14.23572       25.91793 
1 1 1 -4  14 39 o 94.445   16.091  91.827     25.585  91.710     32.608  92.013     41.266  89.399  21.209  83.911  25.725  5.488617       33.34076 
1 1 1 -4  14 40 o 48.923   17.538  24.336     19.027  23.523     23.072  26.063     33.638  49.200  18.977  52.910  22.017  -3.709278      29.06641 
1 1 1 -4  15 1  o 100.730  11.954  95.841     20.615  94.016     23.645  101.624    42.090  98.301  14.186  92.246  25.349  6.054993       29.04891 
1 1 1 -4  15 2  o 63.123   14.340  39.544     15.446  43.034     18.269  30.796     28.922  64.988  16.166  56.150  21.347  8.838108       26.77787 
1 1 1 -4  15 3  o 64.289   14.024  40.787     15.299  50.854     18.170  16.259     28.362  71.412  15.047  48.973  20.284  22.43866       25.25558 
1 1 1 -4  15 4  o 83.912   12.721  67.447     18.054  70.793     21.485  59.410     33.303  84.553  15.107  72.020  23.253  12.53249       27.72973 
1 1 1 -4  15 5  o 63.704   14.379  40.273     15.615  27.244     18.601  71.376     28.738  52.212  17.408  81.162  20.324  -28.94972      26.76007 
1 1 1 -4  15 6  o 81.396   12.935  63.723     17.769  63.080     20.587  65.601     35.182  79.531  15.382  75.084  23.865  4.446999       28.39211 
1 1 1 -4  15 7  o 205.322  11.208  391.776    40.030  338.153    46.165  554.259    80.362  187.304 14.222  229.408 20.271  -42.10367      24.76230 
1 1 1 -4  15 8  o 193.924  11.122  349.355    37.503  316.852    43.374  445.617    74.644  181.786 13.767  203.799 21.291  -22.01335      25.35401 
1 1 1 -4  15 9  o 23.559   10.742  -5.1576    9.7787  -6.0123    10.887  -1.5899    22.243  24.639  11.273  37.811  16.805  -13.17201      20.23604 
1 1 1 -4  15 10 o 68.844   13.885  46.608     16.114  47.467     18.451  43.848     33.084  68.466  15.761  63.265  23.064  5.200680       27.93456 
1 1 1 -4  15 11 o 59.392   16.333  36.162     17.466  36.162     17.466  0.0000     0.0000  59.392  16.333  ?       ?       0.000000       16.33308 
1 1 1 -4  15 12 o 47.919   15.373  22.605     14.574  19.860     16.532  32.177     30.872  46.073  16.366  56.976  21.958  -10.90307      27.38625 
1 1 1 -4  15 13 o 81.244   14.707  65.389     20.095  63.154     23.218  72.060     40.119  77.963  17.487  76.670  25.566  1.293236       30.97459 
1 1 1 -4  15 14 o 69.742   15.053  48.850     17.793  50.877     20.618  42.935     35.220  70.014  17.029  62.540  23.609  7.474018       29.10991 
1 1 1 -4  15 15 o 81.370   18.156  69.681     25.141  69.001     33.070  70.613     38.702  77.049  22.902  76.026  25.099  1.023560       33.97735 
1 1 1 -4  15 16 o 140.988  16.606  200.651    40.097  225.580    54.875  172.093    58.732  141.496 23.001  114.614 29.250  26.88204       37.21032 
1 1 1 -4  15 17 o 94.147   18.512  93.522     29.346  125.406    39.032  52.060     44.510  105.961 21.823  66.353  26.136  39.60749       34.04890 
1 1 1 -4  15 18 o 47.207   18.532  18.913     22.308  18.913     22.308  0.0000     0.0000  47.207  18.532  ?       ?       0.000000       18.53205 
1 1 1 -4  15 19 o 89.010   17.851  83.197     26.779  83.197     26.779  0.0000     0.0000  89.010  17.851  ?       ?       0.000000       17.85139 
1 1 1 -4  15 20 o 63.815   19.094  44.490     22.931  44.490     22.931  0.0000     0.0000  63.815  19.094  ?       ?       0.000000       19.09398 
1 1 1 -4  15 21 o 59.891   18.736  38.861     21.765  38.861     21.765  0.0000     0.0000  59.891  18.736  ?       ?       0.000000       18.73598 
1 1 1 -4  15 22 o 29.644   12.953  -0.1979    12.701  -2.6493    14.602  7.4202     25.741  30.349  13.544  43.039  18.626  -12.68975      23.02955 
1 1 1 -4  15 23 o 31.326   12.852  4.8547     11.244  6.3104     12.356  -2.1592    27.121  33.345  13.552  40.246  18.167  -6.900089      22.66537 
1 1 1 -4  15 24 o 108.854  11.607  113.018    21.720  104.540    24.714  141.779    45.522  102.613 14.172  107.476 24.766  -4.863083      28.53465 
1 1 1 -4  15 25 o 134.348  11.238  171.115    26.120  178.450    29.861  147.222    53.892  135.706 12.752  102.583 28.869  33.12325       31.55985 
1 1 1 -4  15 26 o 99.617   12.013  95.730     20.474  95.249     23.263  97.381     43.125  97.753  14.032  84.975  26.339  12.77779       29.84350 
1 1 1 -4  15 27 o 27.589   12.030  -0.0369    10.902  -0.6973    11.886  3.4637     27.366  28.306  12.445  41.843  18.617  -13.53754      22.39338 
1 1 1 -4  15 28 o 54.164   18.707  32.160     21.502  15.844     30.249  48.824     30.571  47.532  20.377  63.232  22.277  -15.69997      30.19059 
1 1 1 -4  15 29 o 90.058   19.775  92.201     30.245  89.163     42.233  95.399     43.334  79.724  26.214  82.239  26.522  -2.515495      37.29120 
1 1 1 -4  15 30 o 66.175   20.094  51.739     25.260  63.742     33.979  36.914     37.764  69.809  23.529  56.661  23.432  13.14702       33.20626 
1 1 1 -4  15 31 o 54.514   15.323  31.639     15.192  33.094     16.927  25.611     34.447  55.166  16.382  51.607  21.924  3.558907       27.36852 
1 1 1 -4  15 32 o 35.942   14.064  10.236     12.815  12.884     14.128  -2.0585    30.439  38.591  14.860  40.829  18.743  -2.238083      23.91870 
1 1 1 -4  16 1  o 53.025   17.330  31.676     18.468  21.169     24.165  46.430     28.635  46.665  18.958  60.269  21.525  -13.60379      28.68296 
1 1 1 -4  16 2  o 172.650  13.761  302.188    41.139  256.376    50.931  388.184    69.781  147.929 20.250  175.035 23.419  -27.10680      30.96015 
1 1 1 -4  16 3  o 64.482   16.846  46.367     19.176  35.088     23.988  66.331     31.915  54.504  19.674  70.585  22.761  -16.08090      30.08552 
1 1 1 -4  16 4  f 82.677   16.328  74.035     22.735  40.411     29.187  125.913    36.254  56.939  21.493  102.304 20.999  -45.36508      30.04862 
1 1 1 -4  16 5  o 125.102  14.432  161.161    30.947  115.141    38.599  243.994    51.784  93.798  23.590  142.151 21.538  -48.35326      31.94361 
1 1 1 -4  16 6  o 141.476  14.587  206.542    35.518  171.388    44.354  269.379    59.300  117.555 22.427  143.932 24.472  -26.37681      33.19398 
1 1 1 -4  16 7  o 83.156   16.148  74.602     22.602  75.974     28.141  72.108     37.938  79.386  20.240  70.530  24.820  8.855576       32.02621 
1 1 1 -4  16 8  o 55.218   17.101  34.348     18.183  45.638     22.693  14.100     30.389  61.922  19.092  45.535  19.963  16.38745       27.62282 
1 1 1 -4  16 9  o 44.643   16.174  20.558     16.233  -9.8192    19.858  81.753     28.185  31.497  14.694  83.081  19.724  -51.58324      24.59550 
1 1 1 -4  16 10 o 45.811   16.505  22.075     16.872  22.075     16.872  0.0000     0.0000  45.811  16.505  ?       ?       0.000000       16.50543 
1 1 1 -4  16 11 o 51.805   17.954  30.498     19.815  30.498     19.815  0.0000     0.0000  51.805  17.954  ?       ?       0.000000       17.95403 
1 1 1 -4  16 12 o 77.795   18.938  70.881     25.483  70.881     25.483  0.0000     0.0000  77.795  18.938  ?       ?       0.000000       18.93782 
1 1 1 -4  16 13 o 57.740   14.988  35.944     15.243  35.435     17.153  37.853     33.237  56.297  16.430  54.981  22.270  1.315502       27.67436 
1 1 1 -4  16 14 o 58.966   14.982  37.510     15.456  27.306     17.496  73.785     32.987  49.547  16.882  73.511  23.077  -23.96360      28.59332 
1 1 1 -4  16 15 o 42.353   14.777  18.430     13.433  11.576     15.011  45.982     30.096  37.677  15.069  58.968  21.911  -21.29059      26.59305 
1 1 1 -4  16 16 o 109.806  12.035  119.766    22.696  121.949    26.083  112.959    46.055  108.478 14.104  83.635  27.369  24.84277       30.78945 
1 1 1 -4  16 17 o 81.044   13.574  67.860     18.529  65.588     21.119  75.457     38.616  77.167  16.190  70.175  25.003  6.992424       29.78742 
1 1 1 -4  16 18 o 49.794   15.464  27.335     14.857  40.236     16.610  -24.2939   33.227  60.293  15.643  36.107  17.439  24.18588       23.42725 
1 1 1 -3  0  1  o 523.689  23.154  2412.71    210.775 2412.71    210.775 2412.71    210.775 523.689 23.154  523.689 23.154  -0.000000      0.000000 
1 1 1 -3  0  2  o 146.512  13.944  192.569    34.928  192.569    34.928  192.569    34.928  146.512 13.944  146.512 13.944  0.000000       0.000000 
1 1 1 -3  0  3  o 33.682   14.496  14.126     8.7484  14.126     8.7484  14.126     8.7484  33.682  14.496  33.682  14.496  -0.000000      0.000000 
1 1 1 -3  0  4  o 444.812  20.804  1741.26    160.772 1741.26    160.772 1741.26    160.772 444.812 20.804  444.812 20.804  -0.000000      0.000000 
1 1 1 -3  0  5  o 773.993  31.587  5274.34    425.260 5274.34    425.260 5274.34    425.260 773.993 31.587  773.993 31.587  -0.000000      0.000000 
1 1 1 -3  0  6  o 1231.60  48.029  13410.54   1029.29 13410.54   1029.29 13410.54   1029.29 1231.60 48.029  1231.60 48.029  0.000000       0.000000 
1 1 1 -3  0  7  o 328.604  17.518  951.747    99.859  951.747    99.859  951.747    99.859  328.604 17.518  328.604 17.518  0.000000       0.000000 
1 1 1 -3  0  8  o 359.957  18.432  1141.44    115.152 1141.44    115.152 1141.44    115.152 359.957 18.432  359.957 18.432  -0.000000      0.000000 
1 1 1 -3  0  9  o 154.642  14.026  214.033    37.157  214.033    37.157  214.033    37.157  154.642 14.026  154.642 14.026  0.000000       0.000000 
1 1 1 -3  0  10 o 365.979  18.520  1179.80    117.655 1179.80    117.655 1179.80    117.655 365.979 18.520  365.979 18.520  0.000000       0.000000 
1 1 1 -3  0  11 f 470.287  21.576  1946.47    176.325 1946.47    176.325 1946.47    176.325 470.287 21.576  470.287 21.576  -0.000000      0.000000 
1 1 1 -3  0  12 o 1190.74  46.581  12539.82   965.111 12539.82   965.111 12539.82   965.111 1190.74 46.581  1190.74 46.581  -0.000000      0.000000 
1 1 1 -3  0  13 f 1201.80  46.899  12778.03   980.747 12778.03   980.747 12778.03   980.747 1201.80 46.899  1201.80 46.899  -0.000000      0.000000 
1 1 1 -3  0  14 o 219.772  14.958  427.892    56.789  427.892    56.789  427.892    56.789  219.772 14.958  219.772 14.958  0.000000       0.000000 
1 1 1 -3  0  15 o 341.666  17.850  1028.85    105.828 1028.85    105.828 1028.85    105.828 341.666 17.850  341.666 17.850  0.000000       0.000000 
1 1 1 -3  0  16 o 123.940  13.849  139.169    29.013  139.169    29.013  139.169    29.013  123.940 13.849  123.940 13.849  0.000000       0.000000 
1 1 1 -3  0  17 f 453.374  21.072  1809.87    165.990 1809.87    165.990 1809.87    165.990 453.374 21.072  453.374 21.072  0.000000       0.000000 
1 1 1 -3  0  18 o 314.052  24.668  879.460    133.352 879.460    133.352 879.460    133.352 314.052 24.668  314.052 24.668  0.000000       0.000000 
1 1 1 -3  0  19 o 674.222  40.425  4045.45    471.985 4045.45    471.985 4045.45    471.985 674.222 40.425  674.222 40.425  -0.000000      0.000000 
1 1 1 -3  0  20 o 241.697  22.365  524.413    92.527  524.413    92.527  524.413    92.527  241.697 22.365  241.697 22.365  -0.000000      0.000000 
1 1 1 -3  0  21 o 115.038  21.801  127.521    39.210  127.521    39.210  127.521    39.210  115.038 21.801  115.038 21.801  -0.000000      0.000000 
1 1 1 -3  0  22 o 530.341  23.497  2479.30    216.611 2479.30    216.611 2479.30    216.611 530.341 23.497  530.341 23.497  0.000000       0.000000 
1 1 1 -3  0  23 o 922.472  37.005  7544.46    593.857 7544.46    593.857 7544.46    593.857 922.472 37.005  922.472 37.005  -0.000000      0.000000 
1 1 1 -3  0  24 o 358.348  18.351  1133.13    114.132 1133.13    114.132 1133.13    114.132 358.348 18.351  358.348 18.351  -0.000000      0.000000 
1 1 1 -3  0  25 o 663.579  27.934  3893.33    322.361 3893.33    322.361 3893.33    322.361 663.579 27.934  663.579 27.934  0.000000       0.000000 
1 1 1 -3  0  26 o 437.565  20.654  1690.17    157.003 1690.17    157.003 1690.17    157.003 437.565 20.654  437.565 20.654  0.000000       0.000000 
1 1 1 -3  0  27 o 905.067  53.010  7456.99    831.142 7456.99    831.142 7456.99    831.142 905.067 53.010  905.067 53.010  -0.000000      0.000000 
1 1 1 -3  0  28 o 526.290  33.684  2482.11    306.632 2482.11    306.632 2482.11    306.632 526.290 33.684  526.290 33.684  -0.000000      0.000000 
1 1 1 -3  0  29 o 45.952   20.775  26.849     17.935  26.849     17.935  26.849     17.935  45.952  20.775  45.952  20.775  0.000000       0.000000 
1 1 1 -3  0  30 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -3  0  31 o 644.147  39.520  3747.54    440.658 3747.54    440.658 3747.54    440.658 644.147 39.520  644.147 39.520  0.000000       0.000000 
1 1 1 -3  0  32 o 496.924  32.411  2217.26    278.478 2217.26    278.478 2217.26    278.478 496.924 32.411  496.924 32.411  -0.000000      0.000000 
1 1 1 -3  0  33 o 14.207   9.2544  -0.5581    5.5624  -0.5581    5.5624  -0.5581    5.5624  14.207  9.2544  14.207  9.2544  -0.000000      0.000000 
1 1 1 -3  0  34 o 150.985  21.092  211.496    52.498  211.496    52.498  211.496    52.498  150.985 21.092  150.985 21.092  0.000000       0.000000 
1 1 1 -3  0  35 o 127.755  21.663  154.980    44.151  154.980    44.151  154.980    44.151  127.755 21.663  127.755 21.663  -0.000000      0.000000 
1 1 1 -3  0  36 o 227.674  15.288  459.974    60.148  459.974    60.148  459.974    60.148  227.674 15.288  227.674 15.288  -0.000000      0.000000 
1 1 1 -3  0  37 o 137.646  13.964  170.828    32.769  170.828    32.769  170.828    32.769  137.646 13.964  137.646 13.964  -0.000000      0.000000 
1 1 1 -3  0  38 o 532.275  23.618  2503.45    218.518 2503.45    218.518 2503.45    218.518 532.275 23.618  532.275 23.618  0.000000       0.000000 
1 1 1 -3  0  39 o 930.690  37.269  7713.19    603.440 7713.19    603.440 7713.19    603.440 930.690 37.269  930.690 37.269  0.000000       0.000000 
1 1 1 -3  0  40 o 397.177  19.460  1392.71    134.218 1392.71    134.218 1392.71    134.218 397.177 19.460  397.177 19.460  -0.000000      0.000000 
1 1 1 -3  0  41 o 352.487  17.563  1096.39    107.483 1096.39    107.483 1096.39    107.483 352.487 17.563  352.487 17.563  -0.000000      0.000000 
1 1 1 -3  0  42 o 110.022  14.711  111.444    26.845  111.444    26.845  111.444    26.845  110.022 14.711  110.022 14.711  0.000000       0.000000 
1 1 1 -3  0  43 o 34.390   18.441  14.773     15.216  14.773     15.216  14.773     15.216  34.390  18.441  34.390  18.441  0.000000       0.000000 
1 1 1 -3  0  44 o 762.861  45.399  5255.63    599.822 5255.63    599.822 5255.63    599.822 762.861 45.399  762.861 45.399  -0.000000      0.000000 
1 1 1 -3  0  45 o 197.622  21.602  354.850    72.277  354.850    72.277  354.850    72.277  197.622 21.602  197.622 21.602  0.000000       0.000000 
1 1 1 -3  0  46 o 544.994  34.594  2663.21    326.153 2663.21    326.153 2663.21    326.153 544.994 34.594  544.994 34.594  -0.000000      0.000000 
1 1 1 -3  0  47 o 139.154  13.767  174.378    32.699  174.378    32.699  174.378    32.699  139.154 13.767  139.154 13.767  0.000000       0.000000 
1 1 1 -3  0  48 o 212.963  14.607  402.678    53.728  402.678    53.728  402.678    53.728  212.963 14.607  212.963 14.607  -0.000000      0.000000 
1 1 1 -3  0  49 o 228.050  14.876  461.283    58.656  461.283    58.656  461.283    58.656  228.050 14.876  228.050 14.876  -0.000000      0.000000 
1 1 1 -3  0  50 o 55.013   19.296  34.758     16.799  34.758     16.799  34.758     16.799  55.013  19.296  55.013  19.296  -0.000000      0.000000 
1 1 1 -3  0  51 o 78.923   19.657  63.775     23.439  63.775     23.439  63.775     23.439  78.923  19.657  78.923  19.657  0.000000       0.000000 
1 1 1 -3  0  52 o 138.561  15.122  174.188    35.479  174.188    35.479  174.188    35.479  138.561 15.122  138.561 15.122  -0.000000      0.000000 
1 1 1 -3  0  53 o 189.665  16.289  322.564    53.030  322.564    53.030  322.564    53.030  189.665 16.289  189.665 16.289  -0.000000      0.000000 
1 1 1 -3  0  54 o 162.238  25.445  248.906    66.787  248.906    66.787  248.906    66.787  162.238 25.445  162.238 25.445  -0.000000      0.000000 
1 1 1 -3  0  55 o 324.936  26.311  954.707    147.026 954.707    147.026 954.707    147.026 324.936 26.311  324.936 26.311  0.000000       0.000000 
1 1 1 -3  0  56 o 79.053   31.672  76.964     42.449  76.964     42.449  76.964     42.449  79.053  31.672  79.053  31.672  0.000000       0.000000 
1 1 1 -3  0  57 o 52.983   27.976  36.353     34.557  36.353     34.557  36.353     34.557  52.983  27.976  52.983  27.976  -0.000000      0.000000 
1 1 1 -3  0  58 o 164.227  16.630  244.744    46.567  244.744    46.567  244.744    46.567  164.227 16.630  164.227 16.630  -0.000000      0.000000 
1 1 1 -3  0  59 o 117.323  18.283  129.955    34.744  129.955    34.744  129.955    34.744  117.323 18.283  117.323 18.283  0.000000       0.000000 
1 1 1 -3  0  60 o 428.449  18.711  1636.98    139.370 1636.98    139.370 1636.98    139.370 428.449 18.711  428.449 18.711  0.000000       0.000000 
1 1 1 -3  0  61 o 457.775  31.893  1951.56    252.080 1951.56    252.080 1951.56    252.080 457.775 31.893  457.775 31.893  -0.000000      0.000000 
1 1 1 -3  0  62 o 78.049   29.048  73.784     36.825  73.784     36.825  73.784     36.825  78.049  29.048  78.049  29.048  -0.000000      0.000000 
1 1 1 -3  0  63 o 109.362  20.000  116.687    34.414  116.687    34.414  116.687    34.414  109.362 20.000  109.362 20.000  -0.000000      0.000000 
1 1 1 -3  0  64 o 423.030  19.839  1621.49    145.806 1621.49    145.806 1621.49    145.806 423.030 19.839  423.030 19.839  -0.000000      0.000000 
1 1 1 -3  0  65 o 225.888  25.723  487.974    98.058  487.974    98.058  487.974    98.058  225.888 25.723  225.888 25.723  -0.000000      0.000000 
1 1 1 -3  0  66 o 221.075  25.792  471.772    96.022  471.772    96.022  471.772    96.022  221.075 25.792  221.075 25.792  -0.000000      0.000000 
1 1 1 -3  0  67 o 39.248   25.569  1.8447     42.481  1.8447     42.481  1.8447     42.481  39.248  25.569  39.248  25.569  0.000000       0.000000 
1 1 1 -3  0  68 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -3  0  69 o 54.446   30.093  43.342     41.784  43.342     41.784  43.342     41.784  54.446  30.093  54.446  30.093  0.000000       0.000000 
1 1 1 -3  0  70 o 99.203   26.752  110.796    40.049  110.796    40.049  110.796    40.049  99.203  26.752  99.203  26.752  -0.000000      0.000000 
1 1 1 -3  0  71 o 27.687   19.270  -24.5573   33.251  -24.5573   33.251  -24.5573   33.251  27.687  19.270  27.687  19.270  -0.000000      0.000000 
1 1 1 -3  0  72 o 247.596  27.469  639.986    115.018 639.986    115.018 639.986    115.018 247.596 27.469  247.596 27.469  0.000000       0.000000 
1 1 1 -3  0  73 o 43.864   25.035  27.979     30.105  27.979     30.105  27.979     30.105  43.864  25.035  43.864  25.035  -0.000000      0.000000 
1 1 1 -3  0  74 o 25.574   17.613  -14.2081   25.999  -14.2081   25.999  -14.2081   25.999  25.574  17.613  25.574  17.613  -0.000000      0.000000 
1 1 1 -3  0  75 o 59.229   32.272  62.740     47.296  62.740     47.296  62.740     47.296  59.229  32.272  59.229  32.272  -0.000000      0.000000 
1 1 1 -3  0  76 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -3  0  77 o 26.307   18.731  -38.1321   37.565  -38.1321   37.565  -38.1321   37.565  26.307  18.731  26.307  18.731  -0.000000      0.000000 
1 1 1 -3  1  1  o 87.724   9.2855  67.979     14.007  40.359     19.806  95.613     19.811  66.651  16.973  104.018 11.078  -37.36679      20.26844 
1 1 1 -3  1  2  o 297.444  11.526  773.130    59.863  811.998    84.661  734.267    84.656  304.278 15.991  289.229 16.836  15.04883       23.21980 
1 1 1 -3  1  3  o 1273.93  34.252  14286.55   761.901 14216.29   1077.49 14356.82   1077.49 1265.43 48.766  1271.77 48.522  -6.344116      68.79319 
1 1 1 -3  1  4  o 330.894  14.039  957.236    81.114  972.692    99.337  926.312    140.512 333.001 17.143  324.057 25.027  8.943909       30.33500 
1 1 1 -3  1  5  o 504.817  17.843  2229.90    157.276 2177.19    192.612 2335.36    272.439 498.510 22.128  514.617 30.455  -16.10684      37.64528 
1 1 1 -3  1  6  o 790.318  25.677  5478.78    354.331 5491.96    433.958 5452.43    613.741 790.339 31.446  783.354 45.061  6.985168       54.94866 
1 1 1 -3  1  7  o 416.890  15.776  1520.04    114.837 1520.04    114.837 0.0000     0.0000  416.890 15.776  ?       ?       0.000000       15.77607 
1 1 1 -3  1  8  o 479.375  20.712  2012.51    173.363 2012.51    173.363 0.0000     0.0000  479.375 20.712  ?       ?       0.000000       20.71183 
1 1 1 -3  1  9  o 417.672  16.071  1525.91    117.205 1519.61    203.021 1529.05    143.541 415.054 28.181  417.906 19.671  -2.851532      34.36743 
1 1 1 -3  1  10 o 1151.71  34.373  11682.00   691.234 12783.19   1197.28 11131.44   846.576 1195.52 57.356  1121.40 43.236  74.11218       71.82638 
1 1 1 -3  1  11 o 344.774  18.445  1043.39    110.636 0.0000     0.0000  1043.39    110.636 ?       ?       344.774 18.445  0.000000       18.44498 
1 1 1 -3  1  12 o 692.066  28.400  4207.40    343.185 0.0000     0.0000  4207.40    343.185 ?       ?       692.066 28.400  0.000000       28.40002 
1 1 1 -3  1  13 o 403.223  15.913  1422.28    112.036 1437.61    194.030 1414.61    137.223 403.645 27.698  401.931 19.553  1.713806       33.90393 
1 1 1 -3  1  14 o 940.614  29.796  7779.57    489.368 6731.85    847.577 8303.49    599.364 865.380 56.401  970.359 35.375  -104.9791      66.57703 
1 1 1 -3  1  15 o 768.630  25.566  5186.08    343.113 5298.14    594.271 5130.05    420.233 771.485 44.302  763.384 31.527  8.101135       54.37458 
1 1 1 -3  1  16 o 1231.05  39.060  13406.34   839.590 12760.43   1454.19 13729.31   1028.29 1181.63 70.808  1241.94 47.419  -60.31165      85.21944 
1 1 1 -3  1  17 o 496.670  15.761  2158.48    136.680 2117.49    193.294 2199.47    193.296 491.354 22.530  500.818 22.105  -9.464050      31.56281 
1 1 1 -3  1  18 o 245.979  10.852  528.833    46.607  554.891    65.917  502.782    65.908  251.385 15.087  239.167 15.873  12.21761       21.89896 
1 1 1 -3  1  19 o 575.046  17.423  2895.88    174.937 2889.23    247.397 2902.54    247.400 573.491 24.706  574.819 24.649  -1.328003      34.89961 
1 1 1 -3  1  20 o 1043.28  29.034  9590.50    528.901 9959.20    747.981 9221.80    747.976 1058.58 40.467  1017.90 42.084  40.67670       58.38385 
1 1 1 -3  1  21 o 1194.18  32.911  12610.28   686.234 12986.75   970.482 12233.81   970.481 1204.50 46.144  1168.15 47.580  36.34924       66.28094 
1 1 1 -3  1  22 o 958.933  30.864  8128.29    516.777 7820.41    632.905 8744.12    895.126 937.309 38.672  982.026 52.393  -44.71655      65.11906 
1 1 1 -3  1  23 o 643.859  22.148  3644.85    248.999 3650.18    304.950 3634.18    431.306 643.193 27.153  637.132 38.957  6.060852       47.48635 
1 1 1 -3  1  24 o 774.230  25.726  5288.27    347.775 5167.52    425.922 5529.79    602.400 763.186 31.962  782.646 44.263  -19.45972      54.59665 
1 1 1 -3  1  25 o 251.393  15.445  556.079    67.466  481.245    95.380  631.009    95.442  232.464 23.836  267.086 20.625  -34.62221      31.52046 
1 1 1 -3  1  26 o 350.751  14.593  1078.40    89.376  1054.53    154.805 1090.34    109.462 344.421 25.932  351.888 17.874  -7.467072      31.49496 
1 1 1 -3  1  27 o 238.866  12.143  500.919    50.479  393.791    87.387  554.568    61.841  209.758 24.310  251.123 14.161  -41.36441      28.13411 
1 1 1 -3  1  28 o 168.544  20.241  253.725    58.375  253.725    58.375  0.0000     0.0000  168.544 20.241  ?       ?       0.000000       20.24075 
1 1 1 -3  1  29 f 168.229  11.450  248.973    33.433  248.364    40.939  250.194    57.932  167.691 14.113  167.304 20.243  0.3863831      24.67713 
1 1 1 -3  1  30 f 109.533  10.778  106.045    20.346  94.305     24.879  129.747    35.351  102.712 14.257  120.261 17.336  -17.54831      22.44526 
1 1 1 -3  1  31 o 295.908  11.690  767.034    60.401  810.708    85.442  723.406    85.398  303.323 16.191  286.310 17.162  17.01312       23.59388 
1 1 1 -3  1  32 o 227.175  12.243  453.515    48.386  450.889    83.795  454.829    59.264  224.977 21.597  227.131 15.029  -2.154648      26.31112 
1 1 1 -3  1  33 o 613.480  21.253  3320.54    227.663 3496.31    394.330 3232.66    278.827 622.245 36.453  603.571 26.457  18.67316       45.04239 
1 1 1 -3  1  34 f 423.604  16.222  1575.81    119.982 1744.82    207.852 1491.35    146.935 442.664 27.021  411.385 20.456  31.27924       33.89061 
1 1 1 -3  1  35 o 490.603  22.199  2123.05    190.160 2091.67    268.971 2154.41    268.881 483.300 32.055  490.714 31.548  -7.413849      44.97594 
1 1 1 -3  1  36 o 745.679  30.767  4942.64    400.587 4585.25    566.514 5300.04    566.518 709.137 46.001  764.884 42.587  -55.74750      62.68800 
1 1 1 -3  1  37 o 556.535  24.241  2731.91    235.562 2521.89    333.133 2941.94    333.137 530.258 36.197  574.004 33.383  -43.74591      49.24050 
1 1 1 -3  1  38 o 141.682  10.678  176.576    26.223  211.278    32.348  110.066    44.783  154.912 12.054  109.656 24.051  45.25548       26.90289 
1 1 1 -3  1  39 o 660.079  19.290  3826.61    222.324 4075.36    314.470 3578.05    314.358 679.403 26.509  636.104 28.303  43.29834       38.77855 
1 1 1 -3  1  40 o 755.048  25.173  5026.93    331.878 5443.50    574.854 4818.67    406.457 777.562 42.502  737.152 31.579  40.41010       52.94926 
1 1 1 -3  1  41 o 251.691  12.660  555.826    55.458  620.964    96.182  523.384    67.878  264.979 20.959  243.837 16.032  21.14134       26.38798 
1 1 1 -3  1  42 f 876.188  28.695  6788.90    439.002 7377.90    760.385 6494.41    537.661 901.658 48.476  853.825 36.064  47.83301       60.41973 
1 1 1 -3  1  43 o 292.337  13.294  748.207    67.856  857.010    117.629 693.942    83.072  311.395 21.771  280.776 17.025  30.61832       27.63756 
1 1 1 -3  1  44 o 244.610  10.610  523.330    45.316  595.553    64.330  452.186    63.847  260.371 14.204  226.522 16.250  33.84880       21.58274 
1 1 1 -3  1  45 o 27.813   10.847  4.0477     7.6025  -7.2711    11.695  12.332     10.005  25.987  11.810  38.548  12.763  -12.56101      17.38913 
1 1 1 -3  1  46 o 791.999  25.779  5538.86    356.491 5847.14    436.657 4922.69    617.328 811.779 30.806  734.848 48.383  76.93140       57.35792 
1 1 1 -3  1  47 o 131.145  11.300  151.604    25.623  169.365    32.033  120.052    42.695  138.416 13.423  114.876 22.088  23.54098       25.84659 
1 1 1 -3  1  48 o 329.059  13.544  948.536    77.821  1043.38    95.545  761.621    134.132 344.901 15.865  292.300 26.571  52.60135       30.94739 
1 1 1 -3  1  49 o 548.673  16.302  2641.70    156.176 2824.89    220.938 2458.75    220.793 566.107 22.352  527.772 23.959  38.33527       32.76660 
1 1 1 -3  1  50 o 282.071  11.447  696.468    56.377  710.945    79.657  681.937    79.803  284.168 16.120  278.235 16.500  5.932281       23.06779 
1 1 1 -3  1  51 o 388.476  15.621  1324.41    105.957 1252.24    183.443 1360.54    129.798 374.530 28.259  393.265 18.903  -18.73489      33.99837 
1 1 1 -3  1  52 o 272.281  13.530  649.936    64.326  672.034    78.789  605.761    111.399 276.122 16.416  260.468 24.794  15.65424       29.73554 
1 1 1 -3  1  53 o 274.950  13.412  662.883    64.388  642.722    78.350  704.824    113.006 269.907 16.707  281.378 23.208  -11.47144      28.59637 
1 1 1 -3  1  54 o 271.609  13.395  647.076    63.525  608.749    76.430  732.712    114.246 262.575 16.758  286.838 23.005  -24.26309      28.46112 
1 1 1 -3  1  55 o 579.609  17.212  2957.60    174.196 2840.72    246.237 3074.71    246.465 565.454 24.940  588.668 23.978  -23.21399      34.59711 
1 1 1 -3  1  56 o 427.380  14.280  1604.74    106.560 1622.67    150.751 1586.84    150.646 428.425 20.152  423.612 20.367  4.813049       28.65180 
1 1 1 -3  1  57 o 217.586  13.217  417.310    49.976  301.875    85.510  477.193    61.589  181.622 27.853  232.375 15.264  -50.75331      31.76129 
1 1 1 -3  1  58 o 471.901  17.595  1967.26    144.981 1707.32    250.583 2098.05    177.753 431.900 33.490  486.150 20.940  -54.24969      39.49784 
1 1 1 -3  1  59 o 368.480  15.207  1197.29    97.843  1042.48    168.314 1276.31    120.248 338.448 28.754  379.648 18.140  -41.20071      33.99771 
1 1 1 -3  1  60 o 229.722  11.187  463.558    44.872  433.230    63.654  493.517    63.265  220.663 16.644  235.889 15.445  -15.22681      22.70609 
1 1 1 -3  1  61 o 494.117  15.325  2159.48    132.222 2226.48    187.073 2092.60    186.908 498.616 21.487  483.006 22.162  15.61008       30.86855 
1 1 1 -3  1  62 o 197.972  11.017  345.841    37.932  311.769    53.798  379.523    53.491  186.632 16.685  206.530 14.934  -19.89790      22.39207 
1 1 1 -3  1  63 o 27.077   12.960  -24.0376   17.419  22.979     41.941  -33.8383   19.149  64.177  25.341  26.516  12.908  37.66135       28.43912 
1 1 1 -3  1  64 o 393.214  16.103  1378.04    110.557 1531.11    192.213 1302.36    135.150 406.052 27.269  379.385 20.478  26.66681       34.10180 
1 1 1 -3  1  65 o 179.581  13.528  287.759    42.106  344.850    74.716  261.189    50.970  193.203 22.574  169.821 17.437  23.38202       28.52386 
1 1 1 -3  1  66 o 97.974   13.465  86.847     22.426  94.128     31.619  79.476     31.813  100.600 18.688  91.820  20.375  8.779823       27.64792 
1 1 1 -3  1  67 o 40.370   15.836  8.9880     16.277  -0.4716    22.896  18.653     23.144  41.127  17.682  51.225  19.179  -10.09774      26.08648 
1 1 1 -3  1  68 o 225.252  12.981  453.896    50.840  478.668    62.804  406.805    86.592  230.060 15.729  207.021 24.426  23.03911       29.05177 
1 1 1 -3  1  69 f 97.631   15.880  88.158     26.140  107.095    33.341  57.948     42.111  106.849 18.543  78.583  26.193  28.26688       32.09250 
1 1 1 -3  1  70 o 114.732  14.046  120.076    27.551  124.129    34.547  112.995    45.665  115.281 17.731  106.781 24.943  8.499512       30.60295 
1 1 1 -3  1  71 o 64.350   16.760  39.293     19.019  44.131     26.135  33.847     27.729  68.018  20.392  61.697  21.247  6.320835       29.44958 
1 1 1 -3  1  72 o 120.380  12.455  131.508    25.802  153.080    37.317  111.748    35.715  127.948 17.134  107.871 19.687  20.07704       26.09888 
1 1 1 -3  1  73 o 42.843   16.966  10.518     18.848  20.892     23.596  -7.7703    31.330  51.933  19.381  44.413  19.828  7.519772       27.72681 
1 1 1 -3  1  74 o 47.954   17.654  18.156     19.451  8.1744     26.310  30.188     28.887  46.763  19.466  59.253  21.559  -12.49000      29.04694 
1 1 1 -3  1  75 o 170.206  12.332  263.574    36.401  324.764    45.872  159.529    59.817  187.894 14.085  121.613 28.642  66.28095       31.91785 
1 1 1 -3  1  76 o 26.144   12.336  -15.2620   14.698  -10.0107   19.435  -22.2798   22.467  33.230  15.149  32.241  15.225  0.9889832      21.47785 
1 1 1 -3  1  77 o 127.222  14.170  151.125    30.943  140.746    38.778  169.316    51.337  119.620 19.217  127.742 23.895  -8.122086      30.66313 
1 1 1 -3  2  1  o 536.311  19.210  2518.15    179.891 2449.46    220.329 2655.50    311.556 528.543 23.874  548.341 32.689  -19.79822      40.47893 
1 1 1 -3  2  2  o 421.923  16.359  1557.33    120.518 1545.74    147.615 1580.49    208.714 420.133 20.122  423.251 28.406  -3.118011      34.81144 
1 1 1 -3  2  3  o 631.879  26.497  3504.35    292.348 3504.35    292.348 0.0000     0.0000  631.879 26.497  ?       ?       0.000000       26.49740 
1 1 1 -3  2  4  o 399.843  18.380  1399.34    128.322 1399.34    128.322 0.0000     0.0000  399.843 18.380  ?       ?       0.000000       18.38020 
1 1 1 -3  2  5  o 522.407  20.626  2390.31    188.146 2390.31    188.146 0.0000     0.0000  522.407 20.626  ?       ?       0.000000       20.62645 
1 1 1 -3  2  6  o 398.405  14.718  1388.04    102.384 1388.04    102.384 0.0000     0.0000  398.405 14.718  ?       ?       0.000000       14.71778 
1 1 1 -3  2  7  o 177.970  5.5034  276.583    17.102  565.501    24.223  -10.5681   24.149  254.478 5.4514  38.915  17.388  215.5631       18.22255 
1 1 1 -3  2  8  o 137.318  3.2616  164.636    7.8203  332.693    11.105  -0.7247    11.015  195.203 3.2580  28.720  12.304  166.4835       12.72787 
1 1 1 -3  2  9  f 463.610  21.033  1883.02    170.260 1724.17    240.769 2041.90    240.799 441.589 31.432  481.198 28.792  -39.60913      42.62511 
1 1 1 -3  2  10 o 383.916  18.807  1290.43    126.071 1421.00    178.295 1159.87    178.288 401.591 25.560  362.229 28.417  39.36221       38.22059 
1 1 1 -3  2  11 o 1012.28  39.939  9062.55    705.928 8817.09    998.325 9308.01    998.342 989.884 58.013  1017.98 56.387  -28.09637      80.90087 
1 1 1 -3  2  12 o 886.161  35.433  6928.27    548.257 6892.55    775.347 6963.98    775.359 877.671 50.812  882.335 50.538  -4.664856      71.66527 
1 1 1 -3  2  13 o 1348.42  36.834  16060.55   867.242 15579.43   1226.46 16541.66   1226.47 1319.76 53.223  1360.87 51.615  -41.11597      74.14034 
1 1 1 -3  2  14 o 440.856  16.912  1701.13    130.185 1673.33    225.527 1715.03    159.429 435.061 29.869  442.376 20.640  -7.315186      36.30688 
1 1 1 -3  2  15 o 372.435  15.771  1213.77    102.558 868.705    177.641 1386.28    125.606 312.160 33.096  397.879 18.080  -85.71902      37.71255 
1 1 1 -3  2  16 o 118.153  13.436  123.663    27.226  122.697    38.505  124.630    38.503  116.765 19.579  117.730 19.406  -0.9652328     27.56717 
1 1 1 -3  2  17 o 137.838  13.637  167.807    32.390  160.599    45.817  175.008    45.795  133.865 20.233  140.023 19.239  -6.157730      27.91991 
1 1 1 -3  2  18 o 1274.28  40.417  14429.76   899.265 14476.73   1101.36 14335.81   1557.61 1270.70 49.639  1244.91 71.964  25.78711       87.42343 
1 1 1 -3  2  19 f 305.841  13.495  818.386    72.064  769.531    88.240  916.237    124.879 295.885 17.153  322.250 22.332  -26.36554      28.15900 
1 1 1 -3  2  20 o 296.961  13.493  771.680    69.963  838.715    121.225 738.201    85.671  308.122 22.692  289.757 17.008  18.36447       28.35830 
1 1 1 -3  2  21 o 487.532  18.136  2084.74    154.383 1891.64    267.423 2181.27    189.071 460.693 33.474  498.189 21.735  -37.49646      39.91127 
1 1 1 -3  2  22 o 337.954  14.411  1000.29    85.040  1047.22    147.339 976.847    104.137 343.876 24.703  333.201 17.966  10.67505       30.54540 
1 1 1 -3  2  23 o 274.353  13.095  659.009    62.732  661.646    76.856  653.745    108.581 274.233 16.122  271.480 23.127  2.752197       28.19140 
1 1 1 -3  2  24 o 388.451  15.509  1323.09    105.191 1358.89    128.854 1251.56    182.133 393.276 18.764  374.973 28.021  18.30344       33.72324 
1 1 1 -3  2  25 o 1073.38  34.898  10299.50   654.047 10202.61   801.052 10493.27   1132.81 1061.71 43.211  1056.09 61.700  5.625488       75.32661 
1 1 1 -3  2  26 f 198.529  14.707  347.547    50.619  347.547    50.619  0.0000     0.0000  198.529 14.707  ?       ?       0.000000       14.70704 
1 1 1 -3  2  27 o 182.760  11.628  293.670    36.914  292.655    45.175  295.709    64.039  182.111 14.322  182.061 20.502  0.5078125E-01  25.00901 
1 1 1 -3  2  28 o 158.313  11.486  220.644    31.534  227.761    38.603  206.370    54.671  160.555 13.908  151.505 21.251  9.049667       25.39737 
1 1 1 -3  2  29 o 551.090  16.912  2670.21    162.735 2715.05    230.142 2625.38    230.143 553.790 23.801  544.437 24.210  9.352600       33.94956 
1 1 1 -3  2  30 o 631.640  18.922  3514.51    208.693 3391.28    295.123 3637.77    295.150 617.464 27.373  639.917 26.415  -22.45251      38.04043 
1 1 1 -3  2  31 o 837.260  24.089  6208.21    352.161 6242.51    498.029 6173.90    498.034 833.566 34.218  828.839 34.413  4.727234       48.52970 
1 1 1 -3  2  32 o 726.862  21.033  4661.02    266.936 4326.44    377.480 4995.69    377.530 696.024 31.060  749.069 28.865  -53.04486      42.40188 
1 1 1 -3  2  33 o 95.819   9.5355  81.113     15.742  93.380     22.199  68.705     22.326  102.463 12.679  87.236  15.210  15.22650       19.80147 
1 1 1 -3  2  34 o 216.312  10.270  409.420    38.789  458.634    54.927  360.462    54.784  228.320 13.843  202.071 15.649  26.24939       20.89321 
1 1 1 -3  2  35 o 487.650  15.297  2085.66    130.247 2128.06    184.241 2043.31    184.154 491.490 21.469  481.516 21.903  9.974213       30.67023 
1 1 1 -3  2  36 o 739.809  24.777  4830.90    320.060 5014.75    554.322 4738.95    392.006 744.641 42.814  730.598 30.729  14.04388       52.70016 
1 1 1 -3  2  37 o 162.883  13.775  234.015    38.811  0.0000     0.0000  234.015    38.811  ?       ?       162.883 13.775  0.000000       13.77548 
1 1 1 -3  2  38 o 528.334  23.247  2458.56    214.458 0.0000     0.0000  2458.56    214.458 ?       ?       528.334 23.247  0.000000       23.24725 
1 1 1 -3  2  39 o 631.671  26.213  3521.86    289.120 0.0000     0.0000  3521.86    289.120 ?       ?       631.671 26.213  0.000000       26.21346 
1 1 1 -3  2  40 o 196.727  11.805  339.836    40.363  332.527    69.714  343.522    49.504  193.377 20.983  197.513 14.455  -4.135910      25.48028 
1 1 1 -3  2  41 o 130.008  11.102  148.925    24.961  132.872    30.737  180.018    42.777  122.288 14.689  142.178 17.608  -19.88941      22.93041 
1 1 1 -3  2  42 o 345.856  14.265  1047.71    86.143  1040.19    105.550 1062.71    149.072 343.872 17.639  346.321 24.817  -2.449524      30.44644 
1 1 1 -3  2  43 o 703.969  23.207  4364.78    285.260 4347.42    349.392 4399.48    494.026 700.994 28.545  699.381 40.630  1.613342       49.65533 
1 1 1 -3  2  44 o 347.628  12.476  1057.79    75.727  1053.01    107.202 1062.55    106.988 345.922 17.809  347.507 17.691  -1.585754      25.10218 
1 1 1 -3  2  45 o 781.003  22.339  5371.21    304.635 5594.56    430.864 5147.94    430.773 793.903 31.082  761.006 32.419  32.89697       44.91190 
1 1 1 -3  2  46 o 505.121  15.328  2236.88    135.191 2241.28    191.130 2232.46    191.248 504.563 21.694  503.558 21.751  1.005005       30.72083 
1 1 1 -3  2  47 f 600.486  17.776  3166.45    186.378 2904.61    263.421 3428.92    263.737 573.137 26.323  623.324 24.232  -50.18640      35.77827 
1 1 1 -3  2  48 o 292.014  16.663  750.841    84.610  750.841    84.610  0.0000     0.0000  292.014 16.663  ?       ?       0.000000       16.66333 
1 1 1 -3  2  49 o 178.342  14.621  280.724    45.131  280.724    45.131  0.0000     0.0000  178.342 14.621  ?       ?       0.000000       14.62142 
1 1 1 -3  2  50 o 20.262   9.5934  -10.8671   9.0288  -10.8671   9.0288  0.0000     0.0000  20.262  9.5934  ?       ?       0.000000       9.593429 
1 1 1 -3  2  51 o 485.545  21.273  2079.19    180.354 2079.19    180.354 0.0000     0.0000  485.545 21.273  ?       ?       0.000000       21.27320 
1 1 1 -3  2  52 o 472.154  14.984  1956.75    123.529 1897.05    174.593 2016.59    174.799 463.566 21.570  478.100 20.939  -14.53452      30.06183 
1 1 1 -3  2  53 f 523.271  16.274  2406.78    148.694 2282.08    210.259 2531.54    210.311 507.606 23.723  535.011 22.513  -27.40475      32.70490 
1 1 1 -3  2  54 o 663.678  18.149  3880.65    210.314 3889.54    297.508 3871.77    297.349 661.401 25.761  659.867 25.808  1.534363       36.46483 
1 1 1 -3  2  55 o 243.977  11.099  521.612    47.281  477.329    66.827  565.995    66.903  232.283 16.586  253.288 15.198  -21.00491      22.49592 
1 1 1 -3  2  56 o 352.299  12.641  1089.34    77.763  1030.23    109.818 1148.79    110.130 341.091 18.508  360.914 17.476  -19.82233      25.45516 
1 1 1 -3  2  57 o 443.839  14.451  1733.08    111.989 1772.12    158.581 1694.25    158.173 447.144 20.311  437.074 20.726  10.07040       29.01933 
1 1 1 -3  2  58 o 356.751  12.752  1118.63    79.434  1160.05    112.497 1077.44    112.177 362.150 17.791  348.362 18.508  13.78812       25.67229 
1 1 1 -3  2  59 o 200.549  12.504  355.056    43.568  289.268    76.475  386.668    53.012  177.740 25.361  208.908 14.625  -31.16780      29.27598 
1 1 1 -3  2  60 o 127.064  15.762  144.911    34.220  0.0000     0.0000  144.911    34.220  ?       ?       127.064 15.762  0.000000       15.76244 
1 1 1 -3  2  61 o 48.790   17.837  17.270     19.808  0.0000     0.0000  17.270     19.808  ?       ?       48.790  17.837  0.000000       17.83727 
1 1 1 -3  2  62 o 107.001  14.155  103.010    25.796  67.578     45.026  120.322    31.473  85.921  26.960  115.335 16.065  -29.41447      31.38316 
1 1 1 -3  2  63 o 225.121  10.974  446.554    43.135  420.771    61.226  471.963    60.780  216.755 16.296  229.987 15.221  -13.23228      22.29952 
1 1 1 -3  2  64 o 280.342  11.566  694.085    56.614  744.094    80.293  644.640    79.838  288.344 16.011  267.831 17.162  20.51291       23.47120 
1 1 1 -3  2  65 o 98.304   12.413  86.923     20.831  94.424     30.137  80.060     28.826  101.114 17.716  92.731  18.452  8.383224       25.57985 
1 1 1 -3  2  66 o 150.231  12.742  201.889    33.108  184.913    58.774  209.780    40.070  139.079 25.127  152.381 15.265  -13.30231      29.40101 
1 1 1 -3  2  67 o 71.798   16.566  48.268     20.346  89.003     39.157  33.202     23.813  95.976  23.544  60.814  19.666  35.16236       30.67681 
1 1 1 -3  2  68 o 27.336   12.297  -5.7195    12.301  3.0229     19.714  -11.2934   15.742  39.826  16.734  29.181  13.426  10.64507       21.45448 
1 1 1 -3  2  69 o 112.910  12.059  114.946    23.406  168.479    33.851  65.908     32.399  136.086 14.468  82.431  22.071  53.65530       26.39024 
1 1 1 -3  2  70 o 35.193   15.312  -1.9254    17.580  5.2827     20.808  -19.9071   32.864  41.731  17.336  42.306  19.441  -0.5759583     26.04819 
1 1 1 -3  2  71 o 186.679  16.165  320.853    52.170  320.853    52.170  0.0000     0.0000  186.679 16.165  ?       ?       0.000000       16.16475 
1 1 1 -3  2  72 o 81.391   20.105  64.774     28.405  64.774     28.405  0.0000     0.0000  81.391  20.105  ?       ?       0.000000       20.10526 
1 1 1 -3  2  73 o 53.556   17.721  26.048     19.288  33.327     25.108  15.565     30.129  60.131  20.225  52.521  21.227  7.609924       29.32000 
1 1 1 -3  2  74 o 192.197  11.154  333.012    37.270  324.783    52.803  341.182    52.614  186.456 16.385  191.508 15.878  -5.052719      22.81613 
1 1 1 -3  2  75 o 58.384   17.586  32.738     19.404  35.955     32.105  30.886     24.356  62.873  22.751  57.908  19.915  4.964725       30.23573 
1 1 1 -3  2  76 o 59.475   17.624  34.381     19.606  22.405     31.860  41.681     24.873  55.694  22.056  64.916  19.984  -9.222263      29.76303 
1 1 1 -3  3  1  o 504.321  15.697  2225.18    138.227 2060.01    195.476 2390.37    195.489 484.646 23.100  522.228 21.439  -37.58209      31.51536 
1 1 1 -3  3  2  o 494.759  14.669  2141.03    126.722 1838.24    179.194 2443.93    179.230 457.878 22.414  528.233 19.432  -70.35455      29.66446 
1 1 1 -3  3  3  o 147.637  9.3377  191.197    23.947  136.090    33.854  246.388    33.879  123.686 16.054  167.492 11.657  -43.80519      19.83995 
1 1 1 -3  3  4  o 992.752  27.224  8659.41    471.903 9313.73    667.386 8005.14    667.356 1026.74 37.227  950.948 40.192  75.78973       54.78335 
1 1 1 -3  3  5  o 1231.61  39.306  13421.38   845.260 13421.38   845.260 0.0000     0.0000  1231.61 39.306  ?       ?       0.000000       39.30570 
1 1 1 -3  3  6  o 810.591  25.353  5768.90    358.832 5768.90    358.832 0.0000     0.0000  810.591 25.353  ?       ?       0.000000       25.35279 
1 1 1 -3  3  7  f 273.356  11.910  653.189    56.849  572.111    69.594  815.776    98.552  255.231 15.692  304.646 18.616  -49.41519      24.34790 
1 1 1 -3  3  8  o 169.475  8.7442  251.593    25.787  213.452    36.464  289.752    36.473  155.646 13.553  181.702 11.556  -26.05602      17.81056 
1 1 1 -3  3  9  o 663.439  27.649  3869.85    320.292 3782.19    452.952 3957.51    452.971 652.226 39.966  667.498 39.035  -15.27271      55.86595 
1 1 1 -3  3  10 o 83.751   5.9484  61.566     8.6420  41.152     10.511  104.153    15.182  68.029  9.0753  108.894 8.0416  -40.86518      12.12551 
1 1 1 -3  3  11 o 500.971  22.357  2201.72    195.560 2175.04    276.554 2228.39    276.574 495.646 32.129  501.797 31.729  -6.151642      45.15528 
1 1 1 -3  3  12 o 645.787  26.899  3667.40    303.306 3385.72    428.919 3949.13    428.960 616.554 40.059  667.015 36.976  -50.46191      54.51588 
1 1 1 -3  3  13 o 695.697  28.791  4262.02    349.733 4203.27    494.589 4320.78    494.606 686.553 41.452  696.321 40.860  -9.768921      58.20483 
1 1 1 -3  3  14 o 1027.70  27.838  9299.11    499.542 8459.55    611.775 10978.83   865.338 977.512 35.843  1109.34 44.674  -131.8276      57.27596 
1 1 1 -3  3  15 o 808.781  25.419  5753.50    358.968 5992.21    621.817 5634.19    439.621 818.392 43.673  798.757 31.521  19.63477       53.85995 
1 1 1 -3  3  16 o 872.243  27.169  6702.25    413.779 6982.15    716.753 6562.33    506.750 881.424 46.739  861.011 33.707  20.41223       57.62530 
1 1 1 -3  3  17 o 434.441  20.439  1656.76    155.042 1643.31    219.351 1670.19    219.174 430.468 29.359  434.049 29.088  -3.581818      41.32820 
1 1 1 -3  3  18 o 243.653  15.733  522.266    66.574  495.759    94.237  548.675    94.064  236.292 23.138  248.907 21.865  -12.61476      31.83441 
1 1 1 -3  3  19 o 569.734  24.743  2860.46    246.141 2837.42    348.185 2883.48    348.006 563.597 35.564  568.281 35.246  -4.684082      50.07074 
1 1 1 -3  3  20 f 394.785  16.128  1366.54    111.172 1199.33    136.170 1700.77    192.521 368.665 21.244  438.356 25.260  -69.69095      33.00536 
1 1 1 -3  3  21 o 391.695  15.812  1345.39    108.143 1352.53    132.470 1331.11    187.247 392.306 19.339  386.852 27.908  5.453705       33.95384 
1 1 1 -3  3  22 o 485.886  15.885  2071.04    134.769 2049.66    190.592 2092.44    190.593 482.179 22.638  487.234 22.403  -5.054932      31.84908 
1 1 1 -3  3  23 o 408.228  13.743  1460.60    97.961  1373.84    138.522 1547.40    138.552 394.530 20.176  419.453 18.918  -24.92288      27.65758 
1 1 1 -3  3  24 o 90.049   9.7336  71.766     15.061  85.529     21.283  57.960     21.316  97.989  12.740  79.875  15.843  18.11374       20.33031 
1 1 1 -3  3  25 o 231.663  12.415  471.557    50.037  452.175    61.313  510.207    86.580  226.410 15.605  239.644 20.900  -13.23329      26.08323 
1 1 1 -3  3  26 o 518.380  15.885  2360.52    143.779 2127.63    203.317 2593.48    203.350 490.287 23.750  541.977 21.488  -51.69055      32.02811 
1 1 1 -3  3  27 o 805.933  22.973  5746.56    323.277 6019.92    457.185 5473.22    457.180 819.841 31.937  780.718 33.537  39.12329       46.31153 
1 1 1 -3  3  28 f 201.502  11.568  356.863    40.529  320.535    49.595  429.898    70.321  190.475 15.034  220.186 18.461  -29.71173      23.80850 
1 1 1 -3  3  29 o 791.170  26.492  5562.84    365.974 5459.99    448.193 5768.62    633.976 780.100 32.904  790.514 46.131  -10.41376      56.66336 
1 1 1 -3  3  30 o 616.289  21.306  3353.07    229.274 3443.53    280.800 3172.16    397.120 622.932 25.816  590.825 38.709  32.10693       46.52782 
1 1 1 -3  3  31 o 371.375  13.061  1208.93    84.692  1228.33    119.812 1189.55    119.734 373.614 18.366  367.143 18.740  6.470764       26.23914 
1 1 1 -3  3  32 o 550.648  19.565  2669.85    188.109 2901.02    325.770 2554.22    230.401 568.692 32.949  537.280 24.560  31.41211       41.09476 
1 1 1 -3  3  33 o 202.053  13.859  359.512    48.598  286.249    68.504  433.742    68.954  178.782 22.439  221.433 17.990  -42.65068      28.76003 
1 1 1 -3  3  34 o 389.763  15.750  1332.55    107.189 1454.50    185.607 1271.52    131.298 404.659 26.414  379.697 19.873  24.96277       33.05501 
1 1 1 -3  3  35 o 319.816  17.265  900.271    96.057  936.913    135.844 863.628    135.846 325.050 24.106  311.788 25.168  13.26285       34.85003 
1 1 1 -3  3  36 o 255.017  10.918  568.923    48.616  586.843    68.815  551.068    68.691  258.299 15.327  250.213 15.804  8.085571       22.01527 
1 1 1 -3  3  37 o 471.543  14.886  1948.35    122.566 1949.02    173.371 1947.68    173.299 470.758 21.092  470.597 21.090  0.1610107      29.82736 
1 1 1 -3  3  38 o 557.982  16.835  2730.70    164.019 2768.33    231.986 2693.09    231.930 560.549 23.702  552.810 24.028  7.739380       33.75107 
1 1 1 -3  3  39 o 495.995  18.227  2159.30    157.855 2081.65    273.581 2198.05    193.272 483.119 32.623  499.791 22.147  -16.67209      39.43023 
1 1 1 -3  3  40 o 849.275  28.037  6377.44    415.753 6323.01    720.212 6404.64    509.153 833.128 49.736  848.396 34.371  -15.26764      60.45679 
1 1 1 -3  3  41 o 392.993  15.738  1353.87    107.991 1317.45    187.407 1371.98    132.134 384.981 28.073  395.226 19.147  -10.24466      33.98095 
1 1 1 -3  3  42 o 465.197  17.334  1898.91    140.795 1786.42    243.749 1955.23    172.479 447.600 31.387  471.498 20.950  -23.89816      37.73652 
1 1 1 -3  3  43 o 416.778  15.853  1523.11    115.364 1434.51    199.434 1567.66    141.427 401.536 28.633  422.405 19.175  -20.86981      34.46075 
1 1 1 -3  3  44 o 384.346  15.196  1294.96    101.981 1220.20    176.289 1332.57    125.024 370.399 27.453  389.517 18.383  -19.11765      33.03942 
1 1 1 -3  3  45 o 358.593  18.486  1132.62    115.352 1204.09    163.026 1060.96    163.238 368.333 25.506  345.216 27.304  23.11792       37.36360 
1 1 1 -3  3  46 o 187.691  11.992  309.641    39.096  309.413    47.984  310.091    67.434  187.291 14.793  186.519 21.075  0.7719727      25.74919 
1 1 1 -3  3  47 o 354.841  14.702  1103.97    91.090  1114.11    111.604 1083.73    157.655 355.636 18.032  349.052 26.055  6.584198       31.68620 
1 1 1 -3  3  48 o 455.359  17.137  1821.29    136.251 1871.82    166.850 1720.15    236.057 460.987 20.729  438.490 31.032  22.49725       37.31851 
1 1 1 -3  3  49 o 389.062  15.370  1328.32    104.415 1241.68    180.036 1372.24    128.174 372.999 27.844  394.973 18.585  -21.97336      33.47685 
1 1 1 -3  3  50 o 461.059  16.976  1868.22    136.662 1804.35    167.163 1996.94    237.310 452.280 21.167  472.895 28.879  -20.61481      35.80550 
1 1 1 -3  3  51 o 260.514  12.979  594.967    59.037  534.578    71.776  721.271    103.804 246.035 16.808  285.140 20.997  -39.10442      26.89611 
1 1 1 -3  3  52 o 306.661  13.654  825.048    73.110  736.863    88.835  1010.14    128.700 288.801 17.702  337.326 21.971  -48.52448      28.21476 
1 1 1 -3  3  53 o 399.688  13.692  1402.11    95.554  1342.36    134.444 1463.11    135.835 389.458 19.836  407.269 19.102  -17.81104      27.53803 
1 1 1 -3  3  54 o 30.760   14.130  -12.8793   17.338  -14.3408   27.773  -11.9461   22.193  40.820  18.409  36.352  16.420  4.467575       24.66813 
1 1 1 -3  3  55 o 409.911  16.046  1479.78    114.849 1272.42    198.532 1584.07    140.799 374.719 30.611  423.360 19.047  -48.64175      36.05276 
1 1 1 -3  3  56 o 319.426  13.951  897.295    77.808  833.635    133.055 930.378    95.919  304.413 25.261  324.262 17.000  -19.84921      30.44860 
1 1 1 -3  3  57 o 314.847  13.533  872.099    74.398  741.843    127.145 939.919    91.744  286.496 25.690  326.342 16.101  -39.84576      30.31800 
1 1 1 -3  3  58 o 214.339  12.008  405.073    44.758  319.394    75.065  452.339    55.754  187.497 23.441  226.109 14.194  -38.61192      27.40320 
1 1 1 -3  3  59 o 223.555  12.864  441.623    50.001  579.368    87.314  374.410    60.992  254.209 19.828  204.771 17.218  49.43756       26.26074 
1 1 1 -3  3  60 o 331.074  12.535  966.088    72.463  1052.08    102.949 881.646    102.014 344.082 17.135  313.939 18.695  30.14301       25.35990 
1 1 1 -3  3  61 o 146.199  12.890  190.150    32.568  181.796    57.595  194.077    39.487  139.634 24.517  147.083 15.614  -7.449722      29.06740 
1 1 1 -3  3  62 o 246.863  13.273  540.789    57.000  539.537    99.054  541.409    69.696  242.370 23.710  245.994 16.319  -3.624359      28.78308 
1 1 1 -3  3  63 o 119.005  16.999  129.085    34.319  150.546    52.697  113.279    45.224  126.072 24.822  109.172 24.345  16.90022       34.76788 
1 1 1 -3  3  64 f 290.134  11.863  744.997    60.099  851.987    85.682  641.381    84.320  308.194 15.977  266.188 18.252  42.00644       24.25692 
1 1 1 -3  3  65 o 252.703  11.380  565.409    50.212  604.379    71.511  527.510    70.521  259.114 15.883  241.567 16.824  17.54634       23.13692 
1 1 1 -3  3  66 o 65.129   15.891  39.641     17.911  58.100     26.300  23.675     24.460  78.317  19.346  54.879  19.858  23.43778       27.72367 
1 1 1 -3  3  67 o 79.129   14.633  57.896     19.473  46.538     27.808  68.825     27.277  70.284  21.026  85.228  18.831  -14.94440      28.22626 
1 1 1 -3  3  68 o 68.390   17.367  44.284     20.777  54.687     25.675  24.551     35.363  75.619  19.362  60.183  23.415  15.43620       30.38341 
1 1 1 -3  3  69 o 61.924   17.159  36.224     19.193  46.875     24.282  18.491     31.333  69.977  19.264  55.154  21.863  14.82304       29.13954 
1 1 1 -3  3  70 o 36.283   15.869  -2.6654    19.100  17.951     26.055  -26.6138   28.082  51.810  20.115  36.532  17.181  15.27734       26.45361 
1 1 1 -3  3  71 o 118.094  11.757  126.251    23.922  131.121    34.021  121.488    33.643  118.198 16.971  113.432 17.553  4.765808       24.41582 
1 1 1 -3  3  72 o 62.351   18.503  37.264     21.598  42.312     25.327  23.803     41.354  66.163  20.128  61.354  24.844  4.808723       31.97453 
1 1 1 -3  3  73 o 79.936   17.330  61.698     23.491  50.051     27.689  91.614     44.377  71.139  20.907  93.417  26.164  -22.27866      33.49129 
1 1 1 -3  3  74 o 68.356   18.220  45.829     22.141  43.788     26.731  50.288     39.519  66.705  20.747  71.656  25.319  -4.950630      32.73368 
1 1 1 -3  3  75 o 113.529  12.552  118.718    24.466  135.098    34.567  102.277    34.633  118.657 17.185  101.200 20.306  17.45751       26.60118 
1 1 1 -3  3  76 o 47.078   16.474  19.493     16.701  24.988     23.699  14.071     23.540  53.485  19.517  47.180  18.870  6.305279       27.14792 
1 1 1 -3  4  1  o 373.891  14.728  1223.39    96.148  1218.16    166.587 1226.00    117.737 371.287 25.858  374.067 18.026  -2.779724      31.52066 
1 1 1 -3  4  2  o 1289.32  34.883  14708.38   785.313 14935.73   1110.61 14481.04   1110.59 1290.73 49.279  1270.40 50.067  20.33447       70.25042 
1 1 1 -3  4  3  o 695.349  23.361  4246.84    283.634 4118.54    347.397 4503.36    491.220 683.627 29.103  710.945 39.730  -27.31812      49.24914 
1 1 1 -3  4  4  o 424.150  14.401  1574.28    106.652 1476.54    123.160 1867.31    213.260 410.572 17.180  459.894 26.672  -49.32172      31.72621 
1 1 1 -3  4  5  o 221.205  10.701  427.746    41.330  411.254    47.735  477.134    82.605  216.472 12.684  232.323 20.576  -15.85037      24.17183 
1 1 1 -3  4  6  o 579.242  20.628  2943.61    208.628 3013.10    255.499 2804.57    361.406 585.370 24.997  561.179 37.093  24.19104       44.72954 
1 1 1 -3  4  7  o 173.562  20.212  267.780    60.104  267.780    60.104  0.0000     0.0000  173.562 20.212  ?       ?       0.000000       20.21159 
1 1 1 -3  4  8  o 732.443  43.356  4805.29    552.007 4805.29    552.007 0.0000     0.0000  732.443 43.356  ?       ?       0.000000       43.35571 
1 1 1 -3  4  9  o 614.338  37.478  3364.29    400.092 3364.29    400.092 0.0000     0.0000  614.338 37.478  ?       ?       0.000000       37.47756 
1 1 1 -3  4  10 o 254.698  22.370  574.288    98.478  574.288    98.478  0.0000     0.0000  254.698 22.370  ?       ?       0.000000       22.37044 
1 1 1 -3  4  11 o 481.047  31.252  2054.89    261.078 2054.89    261.078 0.0000     0.0000  481.047 31.252  ?       ?       0.000000       31.25224 
1 1 1 -3  4  12 o 478.171  31.142  2031.65    258.592 2031.65    258.592 0.0000     0.0000  478.171 31.142  ?       ?       0.000000       31.14191 
1 1 1 -3  4  13 o 795.472  27.653  5587.36    384.094 5587.36    384.094 0.0000     0.0000  795.472 27.653  ?       ?       0.000000       27.65347 
1 1 1 -3  4  14 o 650.305  39.430  3794.83    445.610 3794.83    445.610 0.0000     0.0000  650.305 39.430  ?       ?       0.000000       39.43045 
1 1 1 -3  4  15 o 629.042  20.389  3478.41    223.942 3499.56    387.932 3467.83    274.254 625.600 35.661  626.990 25.051  -1.390137      43.58094 
1 1 1 -3  4  16 o 311.249  14.463  848.872    78.603  775.482    136.193 885.527    96.252  295.026 26.728  317.161 17.448  -22.13474      31.91912 
1 1 1 -3  4  17 o 835.532  26.912  6176.37    392.620 6511.33    680.114 6008.94    480.832 845.959 46.219  821.136 33.536  24.82251       57.10377 
1 1 1 -3  4  18 o 223.542  12.890  439.133    50.097  424.328    86.859  446.512    61.326  218.126 23.160  225.066 15.704  -6.940048      27.98205 
1 1 1 -3  4  19 o 129.035  9.8306  146.497    21.982  126.524    31.068  166.521    31.108  119.131 15.288  137.238 13.142  -18.10672      20.16069 
1 1 1 -3  4  20 o 389.075  14.044  1327.40    95.409  1351.05    134.928 1303.75    134.928 391.190 19.819  384.184 20.185  7.006104       28.28787 
1 1 1 -3  4  21 o 435.280  14.116  1661.83    107.287 1606.50    151.720 1717.18    151.734 426.905 20.354  441.503 19.683  -14.59787      28.31415 
1 1 1 -3  4  22 o 226.907  10.485  450.712    41.540  426.375    58.733  475.070    58.759  219.826 15.399  232.219 14.565  -12.39328      21.19611 
1 1 1 -3  4  23 o 103.165  9.9828  94.019     17.758  68.196     25.079  119.982    25.147  86.561  17.199  116.325 12.581  -29.76369      21.30971 
1 1 1 -3  4  24 o 643.305  18.870  3646.83    211.954 3579.12    299.762 3714.52    299.733 634.200 27.070  646.313 26.560  -12.11310      37.92386 
1 1 1 -3  4  25 o 339.192  12.334  1008.51    73.049  882.822    103.337 1134.06    103.276 315.963 18.816  359.118 16.470  -43.15503      25.00627 
1 1 1 -3  4  26 o 581.386  18.068  2976.51    183.414 2931.64    259.406 3021.37    259.368 574.404 25.864  583.284 25.467  -8.880310      36.29756 
1 1 1 -3  4  27 o 513.870  18.802  2326.50    168.702 2417.51    292.139 2280.97    206.639 518.259 32.447  507.578 23.316  10.68076       39.95528 
1 1 1 -3  4  28 o 165.509  11.598  241.114    33.306  266.765    57.610  228.236    40.818  172.943 19.413  160.594 14.721  12.34940       24.36309 
1 1 1 -3  4  29 o 195.700  14.490  337.836    49.161  333.362    69.359  342.354    69.690  193.322 20.879  195.981 20.678  -2.658432      29.38535 
1 1 1 -3  4  30 f 814.039  48.746  6112.05    689.681 6112.05    689.681 0.0000     0.0000  814.039 48.746  ?       ?       0.000000       48.74649 
1 1 1 -3  4  31 o 90.052   19.702  74.120     30.117  0.0000     0.0000  74.120     30.117  ?       ?       90.052  19.702  0.000000       19.70192 
1 1 1 -3  4  32 o 220.112  10.327  423.847    39.689  419.722    56.167  427.960    56.091  218.304 14.823  220.468 14.654  -2.164291      20.84386 
1 1 1 -3  4  33 o 822.565  23.795  5967.68    341.762 5980.76    483.331 5954.60    483.317 819.249 33.788  817.419 33.863  1.830261       47.83667 
1 1 1 -3  4  34 o 324.568  11.860  921.962    67.215  845.471    95.082  998.372    95.031  309.856 17.647  337.398 16.131  -27.54193      23.90879 
1 1 1 -3  4  35 o 529.371  16.522  2457.90    152.721 2514.36    216.002 2401.46    215.958 534.228 23.156  521.985 23.695  12.24341       33.13072 
1 1 1 -3  4  36 o 277.119  11.439  671.922    55.351  689.018    78.286  654.832    78.271  279.866 16.088  272.755 16.513  7.110443       23.05411 
1 1 1 -3  4  37 o 762.286  22.020  5114.08    293.087 5220.14    414.502 5008.05    414.473 767.154 30.944  751.154 31.601  15.99933       44.22887 
1 1 1 -3  4  38 o 777.551  22.276  5322.21    302.429 5454.20    427.727 5190.26    427.671 784.008 31.245  764.485 32.039  19.52228       44.75215 
1 1 1 -3  4  39 o 559.138  17.155  2743.10    167.484 2626.32    236.761 2860.08    236.956 545.614 24.852  569.619 23.824  -24.00452      34.42699 
1 1 1 -3  4  40 o 637.182  22.045  3574.47    245.266 3146.93    424.762 3788.31    300.407 590.302 41.474  654.814 26.274  -64.51129      49.09597 
1 1 1 -3  4  41 o 324.451  17.547  926.726    99.035  811.276    140.084 1042.08    140.029 301.756 26.868  343.021 23.521  -41.26541      35.70935 
1 1 1 -3  4  42 o 205.720  15.069  372.971    53.750  332.463    76.001  413.508    76.028  192.885 23.021  215.874 20.412  -22.98863      30.76731 
1 1 1 -3  4  43 o 574.765  25.100  2918.24    251.902 2676.25    356.331 3159.99    356.156 545.256 37.658  594.095 34.482  -48.83966      51.06038 
1 1 1 -3  4  44 o 494.310  18.085  2146.76    156.093 2092.21    191.131 2256.00    270.483 487.154 22.470  502.778 30.961  -15.62363      38.25568 
1 1 1 -3  4  45 o 460.526  14.931  1859.90    120.063 1795.01    169.667 1924.98    169.923 451.332 21.530  467.528 20.815  -16.19531      29.94673 
1 1 1 -3  4  46 f 171.412  10.436  258.052    31.085  265.787    43.341  249.858    44.608  173.510 14.437  168.064 15.371  5.446304       21.08787 
1 1 1 -3  4  47 o 620.825  21.536  3399.26    233.448 3441.97    404.064 3377.87    286.013 617.281 37.669  617.252 26.537  0.2825928E-01  46.07840 
1 1 1 -3  4  48 o 477.301  17.819  2003.58    148.504 1991.33    256.668 2009.74    182.074 471.266 31.371  477.155 21.854  -5.888977      38.23278 
1 1 1 -3  4  49 o 412.159  16.424  1492.92    118.200 1582.33    204.025 1447.75    145.015 420.838 27.924  404.607 20.595  16.23071       34.69716 
1 1 1 -3  4  50 o 208.573  12.872  382.878    46.647  431.548    79.598  357.420    57.569  220.102 20.965  200.948 16.555  19.15460       26.71308 
1 1 1 -3  4  51 o 233.679  13.344  480.653    54.222  433.498    66.409  574.959    93.915  221.239 17.330  254.139 21.362  -32.89998      27.50749 
1 1 1 -3  4  52 o 59.048   21.083  26.427     27.471  26.427     27.471  0.0000     0.0000  59.048  21.083  ?       ?       0.000000       21.08327 
1 1 1 -3  4  53 o 105.256  23.546  102.260    42.191  102.260    42.191  0.0000     0.0000  105.256 23.546  ?       ?       0.000000       23.54602 
1 1 1 -3  4  54 o 533.435  23.769  2535.27    221.393 2477.68    312.899 2593.01    313.295 520.507 34.626  533.067 33.835  -12.56067      48.41228 
1 1 1 -3  4  55 o 285.028  13.485  714.453    67.111  661.127    115.112 741.910    82.601  270.875 24.607  289.501 16.408  -18.62598      29.57556 
1 1 1 -3  4  56 o 213.003  12.965  400.548    47.991  446.013    81.916  376.789    59.218  222.794 21.317  205.820 16.620  16.97421       27.03046 
1 1 1 -3  4  57 o 200.195  10.822  352.990    37.688  319.159    52.706  388.388    53.912  189.298 16.099  209.238 14.853  -19.94054      21.90393 
1 1 1 -3  4  58 o 247.962  11.166  540.638    48.344  495.721    67.859  586.927    68.889  235.875 16.582  257.089 15.417  -21.21364      22.64194 
1 1 1 -3  4  59 o 153.791  10.799  209.046    28.814  184.390    40.014  235.597    41.525  143.229 16.290  162.482 14.799  -19.25356      22.00828 
1 1 1 -3  4  60 o 194.486  10.818  334.048    36.591  306.710    50.725  363.709    52.836  185.103 15.847  201.899 15.097  -16.79576      21.88700 
1 1 1 -3  4  61 o 194.465  10.996  334.450    37.186  342.025    53.456  327.347    51.761  195.344 15.808  191.133 15.647  4.211624       22.24225 
1 1 1 -3  4  62 o 193.730  11.066  332.381    37.277  359.056    53.284  306.811    52.169  200.092 15.369  184.543 16.360  15.54942       22.44632 
1 1 1 -3  4  63 o 155.836  13.006  217.109    35.065  187.781    61.349  231.339    42.733  140.021 26.052  160.136 15.476  -20.11436      30.30186 
1 1 1 -3  4  64 o 175.331  16.258  278.647    49.206  286.454    71.145  271.488    68.128  174.153 24.037  169.681 23.637  4.472275       33.71173 
1 1 1 -3  4  65 o 88.546   20.178  74.608     30.502  104.341    45.731  50.782     40.938  103.200 25.521  75.129  25.820  28.07151       36.30421 
1 1 1 -3  4  66 o 94.019   15.788  81.832     24.999  86.981     30.996  72.249     42.285  95.840  19.192  86.024  25.971  9.815712       32.29294 
1 1 1 -3  4  67 o 47.958   17.744  17.210     19.694  22.114     24.728  8.7038     32.567  53.705  19.880  51.757  21.611  1.948219       29.36422 
1 1 1 -3  4  68 o 134.971  11.714  163.958    27.332  157.538    39.312  169.965    38.027  129.801 17.815  135.557 16.399  -5.755646      24.21422 
1 1 1 -3  4  69 o 202.566  11.327  368.038    39.902  393.158    57.195  344.219    55.694  206.722 15.969  192.900 16.700  13.82187       23.10659 
1 1 1 -3  4  70 o 74.987   15.552  53.232     19.695  29.066     28.577  75.094     27.181  58.755  21.433  88.366  18.221  -29.61077      28.13185 
1 1 1 -3  4  71 o 105.952  12.845  102.942    23.277  107.330    33.521  98.856     32.349  105.471 18.896  101.060 19.031  4.411301       26.81830 
1 1 1 -3  4  72 o 54.346   18.183  27.037     20.291  25.601     38.015  27.610     23.996  60.224  24.016  55.860  19.730  4.364914       31.08145 
1 1 1 -3  4  73 o 102.705  19.474  103.766    33.645  125.878    48.475  83.214     46.735  109.044 25.853  87.830  27.451  21.21333       37.70893 
1 1 1 -3  4  74 f 39.196   16.448  4.6268     19.006  1.1489     22.986  12.143     33.791  40.764  17.621  52.178  21.915  -11.41402      28.12089 
1 1 1 -3  4  75 o 106.303  20.182  113.749    36.091  111.799    52.896  115.447    49.367  98.689  28.866  101.690 27.251  -3.001396      39.69724 
1 1 1 -3  5  1  o 521.185  33.222  2426.29    300.751 0.0000     0.0000  2426.29    300.751 ?       ?       521.185 33.222  0.000000       33.22159 
1 1 1 -3  5  2  o 624.128  38.212  3499.41    414.415 3499.41    414.415 0.0000     0.0000  624.128 38.212  ?       ?       0.000000       38.21166 
1 1 1 -3  5  3  o 107.076  19.479  103.849    35.077  103.849    35.077  0.0000     0.0000  107.076 19.479  ?       ?       0.000000       19.47915 
1 1 1 -3  5  4  o 430.216  16.497  1623.64    123.922 1630.83    151.805 1609.27    214.548 430.655 20.188  425.226 29.071  5.429382       35.39277 
1 1 1 -3  5  5  o 416.867  16.401  1524.47    119.380 1453.23    146.238 1666.79    206.694 405.916 20.702  433.181 27.469  -27.26541      34.39658 
1 1 1 -3  5  6  o 268.631  13.108  631.983    61.484  619.018    106.514 638.462    75.296  263.967 23.351  269.318 16.085  -5.351715      28.35478 
1 1 1 -3  5  7  o 245.507  10.759  527.345    46.120  520.557    65.220  534.135    65.228  243.161 15.441  246.351 15.239  -3.189407      21.69464 
1 1 1 -3  5  8  o 434.845  14.173  1657.14    107.614 1787.89    152.193 1526.40    152.184 450.938 19.329  415.872 21.026  35.06592       28.56077 
1 1 1 -3  5  9  o 263.449  10.948  607.347    50.360  607.345    71.215  607.349    71.224  262.678 15.597  262.678 15.599  -0.4577637E-03 22.05865 
1 1 1 -3  5  10 o 319.100  11.887  891.490    66.231  968.409    93.666  814.577    93.662  332.184 16.149  303.992 17.723  28.19241       23.97655 
1 1 1 -3  5  11 o 335.111  12.254  983.471    71.701  993.837    82.779  952.327    143.478 336.705 14.080  327.166 25.313  9.538574       28.96567 
1 1 1 -3  5  12 o 304.711  13.487  813.795    71.757  813.795    71.757  0.0000     0.0000  304.711 13.487  ?       ?       0.000000       13.48685 
1 1 1 -3  5  13 o 484.913  20.938  2073.05    177.277 2073.05    177.277 0.0000     0.0000  484.913 20.938  ?       ?       0.000000       20.93751 
1 1 1 -3  5  14 o 433.314  16.031  1649.04    121.293 1649.04    121.293 0.0000     0.0000  433.314 16.031  ?       ?       0.000000       16.03129 
1 1 1 -3  5  15 o 349.413  13.849  1070.83    84.490  1070.83    84.490  0.0000     0.0000  349.413 13.849  ?       ?       0.000000       13.84853 
1 1 1 -3  5  16 o 124.628  10.166  136.850    21.930  155.052    26.913  100.888    37.829  132.523 11.753  105.050 21.352  27.47302       24.37263 
1 1 1 -3  5  17 o 444.903  14.533  1737.52    112.894 1819.20    159.653 1655.83    159.660 454.107 20.135  433.013 21.117  21.09402       29.17802 
1 1 1 -3  5  18 o 354.389  12.413  1100.97    76.809  1146.06    108.651 1055.92    108.599 360.887 17.242  345.816 18.048  15.07040       24.96049 
1 1 1 -3  5  19 o 90.869   10.198  73.195     15.902  86.630     22.640  60.114     22.339  98.461  13.526  81.260  16.311  17.20046       21.19019 
1 1 1 -3  5  20 o 494.748  17.668  2155.53    152.624 2275.33    186.970 1916.28    264.226 507.380 21.105  460.468 33.084  46.91129       39.24224 
1 1 1 -3  5  21 o 241.332  12.538  512.063    52.650  619.023    91.133  458.477    64.504  264.094 19.909  227.742 16.330  36.35210       25.74958 
1 1 1 -3  5  22 o 223.919  12.079  440.779    47.053  406.484    81.393  457.992    57.664  213.220 22.187  227.913 14.566  -14.69357      26.54170 
1 1 1 -3  5  23 o 381.263  15.193  1277.04    101.145 1288.56    175.079 1271.27    123.915 379.672 26.577  379.793 18.686  -0.1217651     32.48875 
1 1 1 -3  5  24 o 368.473  18.867  1199.43    120.981 1241.74    170.961 1156.99    171.224 372.857 26.431  359.513 27.485  13.34363       38.13155 
1 1 1 -3  5  25 o 450.840  17.131  1787.66    134.854 1843.47    233.472 1759.72    165.197 453.607 29.641  446.432 21.193  7.174927       36.43747 
1 1 1 -3  5  26 o 109.226  10.583  105.410    19.930  107.991    28.397  102.906    27.977  109.887 15.208  107.188 15.390  2.698845       21.63602 
1 1 1 -3  5  27 o 408.334  13.981  1462.18    99.679  1426.08    141.004 1498.24    140.930 402.313 20.073  412.460 19.569  -10.14673      28.03287 
1 1 1 -3  5  28 o 434.785  16.724  1660.17    126.961 1741.13    155.511 1498.35    219.856 444.692 20.028  409.019 31.015  35.67245       36.91986 
1 1 1 -3  5  29 o 587.986  21.030  3044.66    215.912 3248.45    264.448 2637.18    373.939 606.269 24.981  539.836 39.955  66.43274       47.12184 
1 1 1 -3  5  30 o 513.098  18.960  2314.01    169.866 2379.90    208.039 2182.21    294.225 519.544 22.933  493.380 34.368  26.16388       41.31690 
1 1 1 -3  5  31 o 322.929  14.195  913.781    80.042  931.762    98.077  877.919    138.509 325.345 17.327  314.261 25.461  11.08398       30.79749 
1 1 1 -3  5  32 o 296.272  11.629  768.169    60.158  824.285    85.176  712.312    84.978  306.164 15.989  284.381 17.194  21.78308       23.47940 
1 1 1 -3  5  33 o 517.821  19.029  2355.85    172.052 2307.41    210.758 2452.63    297.893 511.601 23.593  524.159 32.712  -12.55884      40.33274 
1 1 1 -3  5  34 o 525.840  16.457  2425.41    151.104 2443.19    213.656 2407.61    213.731 526.538 23.239  522.651 23.420  3.886597       32.99357 
1 1 1 -3  5  35 o 842.739  23.925  6262.38    352.059 6635.20    497.880 5889.54    497.893 863.605 33.018  812.652 35.089  50.95306       48.18084 
1 1 1 -3  5  36 o 831.841  34.342  6166.65    498.803 6166.65    498.803 0.0000     0.0000  831.841 34.342  ?       ?       0.000000       34.34199 
1 1 1 -3  5  37 o 308.513  13.910  833.844    74.933  814.447    91.830  872.496    129.628 304.123 17.365  313.656 23.848  -9.532593      29.50023 
1 1 1 -3  5  38 o 311.181  13.990  848.420    76.015  812.915    93.146  919.214    131.527 303.777 17.637  322.016 23.556  -18.23874      29.42682 
1 1 1 -3  5  39 o 418.882  20.088  1543.43    146.920 1543.43    146.920 0.0000     0.0000  418.882 20.088  ?       ?       0.000000       20.08758 
1 1 1 -3  5  40 f 148.764  10.506  194.578    27.113  178.899    37.934  210.954    38.768  141.982 15.556  154.456 14.546  -12.47372      21.29738 
1 1 1 -3  5  41 o 491.835  17.845  2125.16    153.246 2002.69    265.347 2186.46    187.716 473.064 32.318  498.158 21.581  -25.09470      38.86084 
1 1 1 -3  5  42 o 207.630  12.129  378.778    43.782  304.911    75.461  416.262    53.755  184.304 24.020  217.447 14.237  -33.14314      27.92206 
1 1 1 -3  5  43 o 252.353  12.816  559.323    56.287  496.262    97.285  591.054    69.010  235.819 23.959  259.104 15.322  -23.28482      28.43965 
1 1 1 -3  5  44 o 347.858  14.791  1061.52    89.841  846.997    155.460 1169.08    110.084 307.259 29.333  364.738 17.285  -57.47961      34.04744 
1 1 1 -3  5  45 o 488.478  15.551  2094.77    132.634 1963.03    187.426 2226.93    187.720 471.376 22.772  502.409 21.399  -31.03320      31.24848 
1 1 1 -3  5  46 o 222.256  10.687  432.455    41.472  389.219    58.153  477.201    59.160  209.898 15.988  232.738 14.632  -22.84064      21.67273 
1 1 1 -3  5  47 o 257.765  13.423  584.310    60.204  572.935    73.194  608.103    105.856 254.756 16.544  261.073 23.472  -6.316803      28.71698 
1 1 1 -3  5  48 o 418.728  14.271  1539.22    104.337 1502.47    147.320 1576.20    147.789 412.500 20.454  422.599 20.029  -10.09811      28.62706 
1 1 1 -3  5  49 o 166.109  12.811  243.459    36.870  164.815    59.544  292.365    46.955  133.824 26.420  181.809 14.923  -47.98550      30.34341 
1 1 1 -3  5  50 o 495.804  17.937  2167.75    155.282 1930.54    267.823 2287.87    190.585 461.122 33.492  508.258 21.475  -47.13504      39.78595 
1 1 1 -3  5  51 o 282.580  13.693  701.575    67.564  712.262    115.874 696.071    83.165  281.996 23.755  280.477 17.063  1.519043       29.24747 
1 1 1 -3  5  52 o 305.005  13.806  817.927    73.523  736.860    126.443 859.337    90.371  285.999 25.591  311.699 16.665  -25.69958      30.53849 
1 1 1 -3  5  53 o 218.147  15.565  421.643    58.896  408.603    81.483  435.908    85.227  213.112 22.225  220.110 22.491  -6.998413      31.61964 
1 1 1 -3  5  54 o 132.360  15.266  156.557    34.634  136.936    47.378  179.076    50.756  121.874 23.110  140.258 21.403  -18.38381      31.49832 
1 1 1 -3  5  55 o 107.639  16.103  104.660    29.335  88.040     39.647  124.766    43.607  97.159  23.603  116.249 22.295  -19.08985      32.46794 
1 1 1 -3  5  56 o 315.412  14.262  878.739    78.545  868.071    96.100  900.205    136.322 312.039 17.711  314.589 25.024  -2.549561      30.65784 
1 1 1 -3  5  57 o 168.765  12.485  252.496    36.530  245.798    44.051  267.242    65.365  165.847 15.387  170.876 22.451  -5.028809      27.21827 
1 1 1 -3  5  58 o 105.119  13.733  99.378     24.603  97.549     29.104  103.959    46.057  103.435 16.682  104.692 25.444  -1.257027      30.42550 
1 1 1 -3  5  59 o 209.544  11.038  388.186    40.243  357.980    56.076  420.261    57.786  199.749 16.218  216.815 15.364  -17.06599      22.33971 
1 1 1 -3  5  60 o 236.910  11.175  495.565    46.228  477.247    64.892  514.441    65.872  230.536 16.224  239.543 15.838  -9.007217      22.67344 
1 1 1 -3  5  61 o 98.565   17.703  89.926     29.348  59.967     40.300  123.755    42.824  80.386  25.541  114.507 22.220  -34.12086      33.85358 
1 1 1 -3  5  62 o 152.256  12.858  207.554    33.864  223.267    41.758  177.368    57.878  157.123 15.420  135.910 25.321  21.21263       29.64636 
1 1 1 -3  5  63 o 103.683  15.023  98.331     26.405  79.293     32.116  138.042    46.385  91.225  20.644  120.149 22.947  -28.92367      30.86671 
1 1 1 -3  5  64 o 147.348  12.842  195.285    32.711  155.793    55.797  215.965    40.377  125.774 26.255  154.133 15.201  -28.35872      30.33811 
1 1 1 -3  5  65 o 71.338   16.872  48.129     20.686  35.858     32.445  56.533     26.851  64.574  22.928  76.734  19.880  -12.16021      30.34643 
1 1 1 -3  5  66 o 142.794  12.966  184.489    31.975  182.863    53.503  185.393    39.881  137.183 23.161  141.679 16.426  -4.495926      28.39465 
1 1 1 -3  5  67 o 47.396   17.165  17.860     18.282  21.583     27.430  14.885     24.522  54.418  20.765  49.243  19.398  5.174313       28.41634 
1 1 1 -3  5  68 o 143.246  11.857  185.444    29.390  205.760    43.586  168.505    39.799  148.311 17.147  133.912 17.434  14.39912       24.45371 
1 1 1 -3  5  69 o 66.152   16.578  42.035     19.110  53.011     28.925  33.534     25.456  73.240  21.324  60.292  20.365  12.94777       29.48651 
1 1 1 -3  5  70 o 46.795   16.736  18.196     17.316  18.163     26.709  18.219     22.743  51.672  20.280  49.616  18.914  2.055389       27.73115 
1 1 1 -3  5  71 o 99.665   13.693  92.372     23.199  100.080    34.566  86.055     31.293  100.360 20.420  93.197  19.839  7.163795       28.47043 
1 1 1 -3  5  72 o 133.772  14.355  166.876    33.006  198.905    61.920  154.162    39.011  136.241 26.984  126.143 18.241  10.09885       32.57088 
1 1 1 -3  5  73 o 48.687   17.973  19.659     20.184  32.833     42.491  15.820     22.937  63.493  25.367  47.773  18.779  15.72005       31.56223 
1 1 1 -3  6  1  o 487.952  18.206  2097.50    155.119 2034.08    190.005 2224.25    268.606 479.327 22.702  497.331 31.088  -18.00430      38.49483 
1 1 1 -3  6  2  o 425.256  14.338  1587.68    106.465 1570.96    122.949 1637.79    212.859 422.598 16.662  427.453 28.686  -4.855377      33.17381 
1 1 1 -3  6  3  o 323.883  12.211  919.552    69.054  906.358    79.753  959.072    138.029 321.319 14.215  327.956 24.277  -6.636292      28.13222 
1 1 1 -3  6  4  o 539.654  16.333  2561.15    153.906 2619.87    177.734 2385.12    307.711 545.198 18.670  513.295 34.534  31.90326       39.25794 
1 1 1 -3  6  5  o 172.411  11.631  261.657    34.809  252.895    42.676  279.073    60.168  169.083 14.598  176.760 19.837  -7.676987      24.62976 
1 1 1 -3  6  6  f 372.138  18.269  1220.27    118.712 1308.86    167.956 1131.83    167.811 383.022 25.255  355.428 27.247  27.59457       37.15180 
1 1 1 -3  6  7  o 205.313  11.595  370.569    41.397  383.482    71.737  364.122    50.689  207.481 20.052  203.134 14.384  4.347031       24.67740 
1 1 1 -3  6  8  o 496.122  18.125  2168.93    157.007 2225.04    271.988 2140.89    192.277 496.962 31.508  491.708 22.395  5.254211       38.65601 
1 1 1 -3  6  9  o 599.383  25.030  3192.95    261.957 3423.06    370.580 2963.13    370.347 614.763 34.665  570.153 37.408  44.61060       51.00029 
1 1 1 -3  6  10 o 413.722  15.670  1505.01    113.200 1577.26    138.678 1360.74    195.964 422.883 18.781  389.045 29.058  33.83829       34.59887 
1 1 1 -3  6  11 o 224.904  11.935  444.680    46.702  451.228    57.193  431.576    80.908  226.180 14.559  219.879 21.343  6.300964       25.83568 
1 1 1 -3  6  12 o 249.376  12.464  545.426    54.273  558.646    66.464  518.972    94.020  251.651 15.197  240.984 22.609  10.66698       27.24196 
1 1 1 -3  6  13 o 249.201  12.753  546.195    55.304  550.202    67.697  538.156    95.894  249.661 15.608  245.421 22.633  4.239822       27.49271 
1 1 1 -3  6  14 o 59.938   11.161  32.490     11.251  39.695     13.649  17.219     19.872  66.241  12.252  49.027  17.875  17.21375       21.67077 
1 1 1 -3  6  15 o 597.903  20.162  3158.68    210.490 2921.60    257.733 3633.54    364.761 572.869 25.766  634.147 33.057  -61.27869      41.91251 
1 1 1 -3  6  16 o 659.616  21.627  3850.71    249.087 3534.03    304.999 4484.91    431.628 629.155 27.764  704.107 35.108  -74.95154      44.75946 
1 1 1 -3  6  17 o 555.123  19.196  2718.98    186.068 2559.89    227.819 3037.72    322.465 536.939 24.300  580.589 31.932  -43.65002      40.12632 
1 1 1 -3  6  18 o 114.013  11.291  114.995    22.182  147.512    38.376  98.679     27.183  128.268 17.599  104.895 15.291  23.37209       23.31354 
1 1 1 -3  6  19 o 158.548  10.735  221.149    29.543  204.639    51.101  229.437    36.207  151.038 19.858  161.230 12.971  -10.19119      23.71901 
1 1 1 -3  6  20 o 684.439  19.737  4131.71    235.872 4445.07    333.591 3818.42    333.556 706.787 27.031  654.042 29.208  52.74500       39.79679 
1 1 1 -3  6  21 o 351.879  12.511  1085.27    76.867  1141.09    108.743 1029.54    108.670 360.165 17.292  341.480 18.292  18.68536       25.17142 
1 1 1 -3  6  22 o 105.746  9.1520  98.554     16.732  110.938    23.870  86.592     23.460  111.833 12.435  98.376  14.057  13.45784       18.76783 
1 1 1 -3  6  23 o 92.048   9.8907  74.986     15.647  76.716     22.334  73.319     21.929  92.456  14.296  90.326  14.387  2.130630       20.28158 
1 1 1 -3  6  24 o 555.513  16.925  2710.77    164.171 2979.20    232.214 2442.53    232.132 580.894 22.894  525.327 25.307  55.56689       34.12631 
1 1 1 -3  6  25 o 367.306  12.891  1181.85    82.674  1264.95    116.994 1098.96    116.845 379.436 17.659  352.985 19.028  26.45172       25.95972 
1 1 1 -3  6  26 o 368.994  15.081  1194.03    97.165  1281.56    119.050 1019.38    168.161 381.938 17.851  337.793 28.786  44.14520       33.87153 
1 1 1 -3  6  27 o 253.847  12.536  564.266    55.562  609.856    68.154  473.916    95.945  263.325 14.884  230.472 24.203  32.85309       28.41361 
1 1 1 -3  6  28 o 223.332  12.281  437.989    47.707  518.581    58.592  279.462    82.175  242.890 13.873  175.608 27.720  67.28197       30.99734 
1 1 1 -3  6  29 o 508.453  19.153  2272.39    170.036 2363.55    208.190 2089.74    294.681 517.772 23.028  482.526 35.219  35.24576       42.07948 
1 1 1 -3  6  30 o 324.010  14.251  919.959    80.627  876.308    98.625  1007.91    139.996 315.378 17.984  337.183 23.934  -21.80478      29.93794 
1 1 1 -3  6  31 o 233.834  12.328  480.016    50.155  514.808    61.680  412.113    86.168  241.915 14.672  214.969 23.331  26.94571       27.56081 
1 1 1 -3  6  32 o 918.483  29.896  7486.58    479.452 7836.86    587.258 6786.38    830.291 936.360 35.919  855.835 55.868  80.52466       66.41877 
1 1 1 -3  6  33 o 493.284  18.051  2137.29    155.474 2236.66    190.487 1939.00    269.088 503.953 21.648  465.345 33.338  38.60806       39.75009 
1 1 1 -3  6  34 o 442.624  21.487  1725.43    166.065 1725.43    166.065 0.0000     0.0000  442.624 21.487  ?       ?       0.000000       21.48717 
1 1 1 -3  6  35 o 766.519  32.142  5232.29    430.189 5232.29    430.189 0.0000     0.0000  766.519 32.142  ?       ?       0.000000       32.14207 
1 1 1 -3  6  36 o 223.346  10.312  436.417    40.217  505.691    56.957  367.544    56.792  239.845 13.657  204.038 16.071  35.80774       21.09024 
1 1 1 -3  6  37 o 392.341  12.643  1348.22    86.609  1488.46    122.548 1208.27    122.419 411.700 17.048  370.194 19.003  41.50613       25.52906 
1 1 1 -3  6  38 o 307.117  10.831  825.463    58.080  930.227    82.177  720.898    82.099  325.716 14.449  286.079 16.506  39.63638       21.93689 
1 1 1 -3  6  39 o 676.041  20.028  4024.32    236.416 4040.92    334.311 4007.72    334.375 674.544 28.384  671.716 28.509  2.827271       40.22987 
1 1 1 -3  6  40 o 277.562  11.908  674.708    57.711  724.646    81.552  624.614    81.678  286.796 16.353  265.984 17.688  20.81204       24.08909 
1 1 1 -3  6  41 o 340.645  14.664  1018.07    87.219  1007.72    151.363 1023.21    106.716 336.190 25.987  340.614 18.007  -4.423798      31.61640 
1 1 1 -3  6  42 o 649.201  22.376  3723.59    253.643 3682.55    439.380 3744.10    310.627 636.459 39.736  649.067 27.409  -12.60748      48.27193 
1 1 1 -3  6  43 o 192.009  15.557  325.901    51.708  269.181    74.087  379.772    72.202  172.462 25.360  206.544 20.282  -34.08130      32.47305 
1 1 1 -3  6  44 o 244.818  16.099  529.062    68.436  456.890    96.925  600.812    96.641  225.596 25.028  259.901 21.488  -34.30487      32.98692 
1 1 1 -3  6  45 f 325.763  14.205  931.686    80.796  1023.49    139.344 885.188    99.169  338.964 23.692  316.493 18.020  22.47177       29.76652 
1 1 1 -3  6  46 o 311.197  13.990  850.375    76.016  833.049    130.878 859.194    93.381  305.193 24.774  311.884 17.214  -6.690948      30.16748 
1 1 1 -3  6  47 o 452.121  16.540  1800.02    130.571 1750.75    225.743 1824.80    160.062 440.891 29.494  454.272 20.180  -13.38138      35.73659 
1 1 1 -3  6  48 o ?        ?       -187.5982  12.258  0.0000     0.0000  -187.5982  12.258  ?       ?       ?       ?       0.000000       ?        
1 1 1 -3  6  49 o 146.688  12.917  190.445    32.746  138.037    54.627  219.840    40.911  121.944 26.419  157.324 15.078  -35.37924      30.41923 
1 1 1 -3  6  50 o 39.879   14.849  10.675     13.835  -5.3930    17.863  34.759     21.870  34.412  15.188  62.315  18.647  -27.90282      24.05009 
1 1 1 -3  6  51 o 131.956  10.924  153.850    24.944  131.132    34.040  180.197    36.657  120.738 16.585  142.197 14.990  -21.45842      22.35507 
1 1 1 -3  6  52 o 159.284  10.984  223.858    30.363  235.206    42.061  211.509    43.876  162.574 14.986  153.750 16.607  8.823425       22.36920 
1 1 1 -3  6  53 o 182.664  12.339  295.042    39.124  273.468    47.111  342.991    70.232  175.158 15.566  194.822 20.977  -19.66444      26.12113 
1 1 1 -3  6  54 o 125.991  13.015  141.472    28.218  141.761    33.667  140.789    51.735  125.546 15.702  122.611 25.012  2.934570       29.53242 
1 1 1 -3  6  55 o 237.412  13.102  499.359    54.101  453.884    65.504  596.956    95.961  225.251 16.775  256.569 21.622  -31.31763      27.36622 
1 1 1 -3  6  56 o 156.689  12.707  218.381    34.465  213.681    41.506  228.818    61.851  154.257 15.625  157.180 23.237  -2.923431      28.00210 
1 1 1 -3  6  57 o 112.519  16.179  115.151    30.872  94.066     41.797  140.466    45.798  99.426  24.285  122.600 22.212  -23.17393      32.91061 
1 1 1 -3  6  58 o 88.752   18.055  73.279     27.027  82.625     34.597  58.645     43.293  93.472  21.627  80.373  26.547  13.09892       34.24146 
1 1 1 -3  6  59 o 199.113  15.530  356.966    53.567  342.097    74.179  373.170    77.436  191.716 22.594  200.361 22.525  -8.645538      31.90360 
1 1 1 -3  6  60 o 178.316  12.660  284.180    39.160  285.995    47.358  280.255    69.635  177.912 15.397  172.219 23.793  5.692749       28.33986 
1 1 1 -3  6  61 o 75.343   15.698  52.918     19.982  59.951     23.276  33.213     38.960  79.918  17.191  66.030  24.852  13.88788       30.21846 
1 1 1 -3  6  62 o 94.046   14.572  81.271     23.154  74.314     27.350  98.870     43.501  88.684  18.270  100.141 24.966  -11.45730      30.93686 
1 1 1 -3  6  63 f 169.002  12.845  257.287    37.621  256.327    45.764  259.286    66.070  167.359 15.850  163.842 23.791  3.517426       28.58666 
1 1 1 -3  6  64 o 173.833  11.059  270.506    33.391  265.052    46.968  276.081    47.481  169.789 16.033  173.404 15.857  -3.615112      22.54996 
1 1 1 -3  6  65 o 126.272  13.505  145.544    29.315  134.770    49.702  151.292    36.302  115.534 25.335  127.339 16.732  -11.80496      30.36184 
1 1 1 -3  6  66 o 35.840   15.103  2.4570     16.137  -13.0860   26.120  12.051     20.521  38.575  17.577  44.911  17.728  -6.335632      24.96476 
1 1 1 -3  6  67 o 96.603   14.519  86.977     23.733  66.534     38.634  99.367     30.078  80.798  24.911  102.021 17.515  -21.22296      30.45248 
1 1 1 -3  6  68 o 51.860   16.426  25.002     16.678  25.721     23.909  24.320     23.276  54.619  19.651  53.507  19.370  1.112724       27.59287 
1 1 1 -3  6  69 o 80.130   18.073  62.949     24.683  76.216     49.289  58.508     28.517  84.239  28.338  76.207  20.834  8.032234       35.17245 
1 1 1 -3  6  70 o 51.767   18.361  23.660     20.802  16.418     44.169  25.725     23.581  58.578  24.853  54.081  19.509  4.497482       31.59525 
1 1 1 -3  6  71 o 38.992   16.261  5.4053     18.408  33.778     41.191  -1.6749    20.577  63.405  25.089  37.427  16.417  25.97830       29.98293 
1 1 1 -3  6  72 o 165.047  11.454  249.484    32.804  240.675    47.408  257.577    45.440  157.298 17.561  164.115 16.063  -6.816437      23.79916 
1 1 1 -3  7  1  o 150.723  11.530  200.320    30.114  189.571    36.918  221.696    52.061  146.139 14.666  157.276 19.367  -11.13672      24.29315 
1 1 1 -3  7  2  o 177.376  11.904  277.137    36.656  268.298    44.943  294.700    63.353  174.064 14.932  181.452 20.346  -7.387772      25.23754 
1 1 1 -3  7  3  o 537.881  19.243  2555.25    180.723 2636.45    221.373 2393.01    312.923 544.914 23.267  512.603 35.175  32.31085       42.17334 
1 1 1 -3  7  4  f 114.129  11.240  115.256    22.108  94.401     27.127  156.497    38.148  102.446 15.663  132.254 16.907  -29.80805      23.04702 
1 1 1 -3  7  5  o 415.423  19.896  1525.02    144.320 1548.01    204.109 1502.02    204.090 415.095 28.330  408.669 28.785  6.425934       40.38824 
1 1 1 -3  7  6  o 156.523  11.118  215.766    30.187  259.016    52.285  194.141    36.971  170.520 17.824  147.953 14.497  22.56630       22.97541 
1 1 1 -3  7  7  o 805.257  27.010  5785.52    379.770 6263.66    657.755 5546.42    465.130 820.107 46.121  783.534 33.998  36.57281       57.29750 
1 1 1 -3  7  8  o 140.117  10.870  173.027    26.385  167.284    45.652  175.908    32.332  136.271 19.763  140.962 13.293  -4.691010      23.81763 
1 1 1 -3  7  9  o 362.034  14.840  1151.66    93.808  1267.00    162.446 1093.96    114.902 376.789 24.831  351.685 18.780  25.10370       31.13256 
1 1 1 -3  7  10 o 450.169  16.951  1783.93    133.242 1823.64    230.726 1764.05    163.206 450.517 29.494  446.691 20.925  3.825867       36.16255 
1 1 1 -3  7  11 o 891.555  24.500  7056.98    381.390 7531.48    539.379 6582.52    539.354 914.203 33.790  852.685 36.226  61.51758       49.53889 
1 1 1 -3  7  12 o 171.325  9.7169  257.747    28.948  256.337    33.417  261.984    57.943  170.683 11.276  171.210 19.744  -0.5269623     22.73754 
1 1 1 -3  7  13 o 496.122  21.971  2176.84    190.328 2176.84    190.328 0.0000     0.0000  496.122 21.971  ?       ?       0.000000       21.97112 
1 1 1 -3  7  14 o 229.896  14.370  465.699    57.393  465.699    57.393  0.0000     0.0000  229.896 14.370  ?       ?       0.000000       14.36975 
1 1 1 -3  7  15 o 621.522  38.497  3509.85    415.719 3509.85    415.719 0.0000     0.0000  621.522 38.497  ?       ?       0.000000       38.49672 
1 1 1 -3  7  16 o 183.349  20.796  300.225    65.399  300.225    65.399  0.0000     0.0000  183.349 20.796  ?       ?       0.000000       20.79609 
1 1 1 -3  7  17 o 902.856  28.931  7254.33    456.090 7465.97    558.582 6830.97    790.005 911.868 35.083  855.724 53.135  56.14307       63.67235 
1 1 1 -3  7  18 o 364.532  17.550  1168.03    111.706 1168.03    111.706 0.0000     0.0000  364.532 17.550  ?       ?       0.000000       17.55011 
1 1 1 -3  7  19 o 651.409  22.269  3744.01    253.288 3954.04    310.220 3324.01    438.690 667.932 26.600  604.522 41.818  63.40985       49.56068 
1 1 1 -3  7  20 o 631.507  26.771  3534.12    295.190 3534.12    295.190 0.0000     0.0000  631.507 26.771  ?       ?       0.000000       26.77074 
1 1 1 -3  7  21 o 165.739  20.587  245.522    58.293  245.522    58.293  0.0000     0.0000  165.739 20.587  ?       ?       0.000000       20.58655 
1 1 1 -3  7  22 o 453.852  21.150  1814.52    167.606 2013.58    237.003 1615.35    237.059 475.501 28.680  424.583 32.217  50.91846       43.13288 
1 1 1 -3  7  23 o 450.255  20.604  1784.87    161.981 1661.02    228.888 1909.13    229.264 431.157 30.602  463.066 28.493  -31.90842      41.81358 
1 1 1 -3  7  24 o 199.292  12.109  349.018    41.937  362.083    51.266  322.588    72.912  202.710 14.581  190.011 22.407  12.69891       26.73413 
1 1 1 -3  7  25 o 517.741  23.534  2365.63    212.753 2365.63    212.753 0.0000     0.0000  517.741 23.534  ?       ?       0.000000       23.53421 
1 1 1 -3  7  26 o 672.027  28.756  4006.61    337.426 4006.61    337.426 0.0000     0.0000  672.027 28.756  ?       ?       0.000000       28.75602 
1 1 1 -3  7  27 o 325.988  14.686  931.691    83.592  878.979    102.476 1036.52    144.511 315.681 18.674  341.740 24.378  -26.05823      30.70877 
1 1 1 -3  7  28 o 284.540  13.522  709.396    67.181  697.970    82.397  732.052    116.031 281.465 16.843  287.107 23.348  -5.642578      28.78894 
1 1 1 -3  7  29 o 505.574  22.895  2254.98    202.109 2254.98    202.109 0.0000     0.0000  505.574 22.895  ?       ?       0.000000       22.89490 
1 1 1 -3  7  30 o 481.201  15.488  2031.42    130.128 2071.79    184.056 1991.08    184.002 484.816 21.743  475.188 22.177  9.627594       31.05698 
1 1 1 -3  7  31 o 488.668  15.814  2095.59    134.933 2141.50    190.800 2049.65    190.849 492.765 22.176  481.971 22.678  10.79398       31.71835 
1 1 1 -3  7  32 o 243.889  12.594  522.411    53.448  487.288    65.304  593.675    93.022  235.082 16.005  258.787 20.761  -23.70454      26.21410 
1 1 1 -3  7  33 o 538.659  16.785  2548.49    157.871 2467.90    223.212 2629.16    223.316 528.361 24.195  545.558 23.443  -17.19727      33.68938 
1 1 1 -3  7  34 o 552.779  17.077  2684.81    164.826 2687.88    233.057 2681.75    233.142 551.322 24.210  550.681 24.247  0.6405029      34.26424 
1 1 1 -3  7  35 o 321.494  14.476  906.634    81.263  946.460    99.397  826.354    141.123 327.677 17.435  304.059 26.857  23.61765       32.02044 
1 1 1 -3  7  36 o 529.802  16.387  2465.85    151.594 2575.36    214.360 2356.28    214.412 539.889 22.739  516.123 23.792  23.76532       32.91106 
1 1 1 -3  7  37 o 769.943  20.946  5230.03    281.593 5358.71    398.182 5101.28    398.282 775.439 29.408  756.183 30.165  19.25629       42.12806 
1 1 1 -3  7  38 o 552.947  17.099  2688.75    165.084 2730.10    233.415 2647.36    233.514 555.215 24.077  546.610 24.467  8.604187       34.32666 
1 1 1 -3  7  39 o 435.453  14.084  1663.95    107.088 1642.71    151.384 1685.23    151.508 431.524 20.091  437.128 19.850  -5.603699      28.24352 
1 1 1 -3  7  40 o 379.859  18.682  1271.63    123.908 0.0000     0.0000  1271.63    123.908 ?       ?       379.859 18.682  0.000000       18.68160 
1 1 1 -3  7  41 o 495.576  22.529  2175.04    194.949 0.0000     0.0000  2175.04    194.949 ?       ?       495.576 22.529  0.000000       22.52928 
1 1 1 -3  7  42 o 52.867   21.515  9.7929     31.195  0.0000     0.0000  9.7929     31.195  ?       ?       52.867  21.515  0.000000       21.51539 
1 1 1 -3  7  43 o 375.542  18.462  1244.54    121.057 0.0000     0.0000  1244.54    121.057 ?       ?       375.542 18.462  0.000000       18.46165 
1 1 1 -3  7  44 f 758.222  32.063  5192.85    424.487 5858.06    600.185 4527.07    600.446 793.293 43.496  690.069 50.177  103.2234       66.40472 
1 1 1 -3  7  45 o ?        ?       -98.4163   4.3411  -100.1363  9.2524  -97.9308   4.9157  ?       ?       ?       ?       0.000000       ?        
1 1 1 -3  7  46 o 163.889  10.241  236.358    29.159  269.075    41.678  204.990    40.810  174.379 13.801  151.732 15.627  22.64690       20.84903 
1 1 1 -3  7  47 o 126.292  14.426  142.246    31.241  0.0000     0.0000  142.246    31.241  ?       ?       126.292 14.426  0.000000       14.42612 
1 1 1 -3  7  48 o 373.747  14.589  1231.48    95.206  1150.63    165.123 1271.73    116.525 356.314 26.736  378.967 17.610  -22.65302      32.01408 
1 1 1 -3  7  49 o 160.525  10.304  227.099    28.727  196.222    40.374  258.759    40.883  148.162 15.852  170.786 13.828  -22.62416      21.03620 
1 1 1 -3  7  50 o 90.051   12.026  72.608     18.437  69.404     25.714  75.997     26.450  86.909  17.549  91.097  17.260  -4.188301      24.61497 
1 1 1 -3  7  51 o 144.197  10.849  183.884    27.116  147.425    37.645  223.198    39.091  127.646 17.339  158.256 14.301  -30.61049      22.47576 
1 1 1 -3  7  52 o 171.242  10.534  258.943    31.344  223.961    43.691  296.039    44.992  157.978 16.063  182.324 14.246  -24.34628      21.46981 
1 1 1 -3  7  53 o 32.257   13.813  -0.4739    13.874  20.339     16.694  -46.9375   24.943  49.170  16.492  29.620  14.486  19.54910       21.95087 
1 1 1 -3  7  54 o 131.174  15.699  155.452    35.242  155.452    35.242  0.0000     0.0000  131.174 15.699  ?       ?       0.000000       15.69888 
1 1 1 -3  7  55 f 42.249   17.168  6.9604     19.825  6.9604     19.825  0.0000     0.0000  42.249  17.168  ?       ?       0.000000       17.16825 
1 1 1 -3  7  56 o 297.612  17.180  799.828    88.895  799.828    88.895  0.0000     0.0000  297.612 17.180  ?       ?       0.000000       17.17961 
1 1 1 -3  7  57 o 276.336  11.769  677.499    56.786  674.004    80.024  681.044    80.593  272.859 16.879  274.267 16.912  -1.407837      23.89395 
1 1 1 -3  7  58 o 102.635  12.494  95.116     21.928  97.938     29.554  91.661     32.706  102.775 17.068  98.469  19.710  4.306900       26.07288 
1 1 1 -3  7  59 o 147.146  10.819  193.175    27.603  171.388    37.936  217.687    40.239  136.721 16.207  154.746 15.084  -18.02518      22.14004 
1 1 1 -3  7  60 o 136.085  11.134  165.868    26.225  169.208    36.203  162.181    38.040  135.874 15.539  132.458 16.827  3.416336       22.90461 
1 1 1 -3  7  61 o 24.920   11.446  -7.9631    11.372  -2.2352    14.253  -17.9970   18.864  31.434  13.729  30.228  14.173  1.205910       19.73186 
1 1 1 -3  7  62 o 129.674  13.352  153.191    29.800  201.585    48.903  124.608    37.583  145.641 19.739  114.122 19.565  31.51957       27.79249 
1 1 1 -3  7  63 o 124.190  13.181  140.872    28.146  119.491    46.519  153.219    35.350  108.360 25.082  128.218 16.148  -19.85799      29.83091 
1 1 1 -3  7  64 o 133.990  17.501  169.707    39.966  164.432    57.352  174.686    55.723  125.683 26.944  130.880 25.299  -5.197197      36.95938 
1 1 1 -3  7  65 o 61.301   23.476  30.453     35.140  0.0000     0.0000  30.453     35.140  ?       ?       61.301  23.476  0.000000       23.47639 
1 1 1 -3  7  66 o 101.597  25.788  109.365    45.825  0.0000     0.0000  109.365    45.825  ?       ?       101.597 25.788  0.000000       25.78781 
1 1 1 -3  7  67 o 79.431   26.191  66.735     42.147  0.0000     0.0000  66.735     42.147  ?       ?       79.431  26.191  0.000000       26.19118 
1 1 1 -3  7  68 o 87.554   16.014  73.898     23.579  56.105     38.435  84.636     29.858  73.455  25.022  92.103  19.189  -18.64810      31.53293 
1 1 1 -3  7  69 o 76.756   15.190  56.904     19.637  53.093     27.251  61.022     28.323  71.852  20.634  76.927  20.652  -5.075806      29.19393 
1 1 1 -3  7  70 o 83.761   14.386  67.226     20.281  40.414     27.539  99.003     29.981  63.205  21.182  99.889  17.844  -36.68454      27.69674 
1 1 1 -3  8  1  o 476.217  17.771  1995.27    147.769 1995.27    147.769 0.0000     0.0000  476.217 17.771  ?       ?       0.000000       17.77112 
1 1 1 -3  8  2  o 113.667  11.115  114.210    21.778  114.210    21.778  0.0000     0.0000  113.667 11.115  ?       ?       0.000000       11.11495 
1 1 1 -3  8  3  o 435.574  16.515  1667.33    125.605 1667.33    125.605 0.0000     0.0000  435.574 16.515  ?       ?       0.000000       16.51513 
1 1 1 -3  8  4  o 149.846  11.015  197.656    28.617  197.656    28.617  0.0000     0.0000  149.846 11.015  ?       ?       0.000000       11.01459 
1 1 1 -3  8  5  o 167.001  10.950  245.217    31.752  266.833    38.991  202.663    54.709  174.005 12.926  150.067 21.493  23.93805       25.07996 
1 1 1 -3  8  6  o 813.554  23.117  5851.19    328.380 6270.86    464.417 5431.59    464.383 837.613 31.754  778.117 34.180  59.49634       46.65392 
1 1 1 -3  8  7  o 296.417  11.539  769.459    59.723  819.086    84.517  719.964    84.404  304.991 15.926  285.713 16.996  19.27789       23.29125 
1 1 1 -3  8  8  o 763.220  21.855  5141.71    291.249 5413.09    411.903 4870.36    411.873 779.198 30.275  738.231 31.953  40.96674       44.01768 
1 1 1 -3  8  9  o 404.213  13.736  1432.61    96.944  1478.02    137.100 1387.19    137.099 409.737 19.163  396.839 19.786  12.89795       27.54479 
1 1 1 -3  8  10 o 272.348  11.157  649.385    53.054  640.780    75.051  657.980    75.009  269.670 16.011  273.312 15.785  -3.642212      22.48356 
1 1 1 -3  8  11 o 447.600  14.466  1757.29    113.055 1705.81    159.884 1808.77    159.883 439.897 20.816  453.103 20.209  -13.20633      29.01199 
1 1 1 -3  8  12 o 564.888  17.058  2803.76    168.253 2770.41    194.265 2903.88    336.589 560.888 19.836  568.549 34.062  -7.660767      39.41719 
1 1 1 -3  8  13 o 495.797  15.516  2157.33    134.318 2154.04    155.084 2167.22    268.706 494.982 17.944  492.016 31.442  2.965973       36.20197 
1 1 1 -3  8  14 o 266.340  10.722  620.849    49.862  655.035    57.609  518.759    99.555  273.484 12.064  241.121 23.964  32.36266       26.82921 
1 1 1 -3  8  15 o 402.160  13.340  1417.41    93.673  1399.29    108.115 1471.96    187.606 399.314 15.506  406.702 26.564  -7.388641      30.75889 
1 1 1 -3  8  16 o 221.272  10.455  428.448    40.395  402.314    46.547  508.181    81.302  213.947 12.515  239.501 19.614  -25.55414      23.26607 
1 1 1 -3  8  17 o 158.382  9.8096  220.286    26.995  227.663    31.106  197.787    54.327  160.890 11.141  148.273 21.620  12.61662       24.32198 
1 1 1 -3  8  18 o 178.494  11.367  280.034    35.244  280.034    35.244  0.0000     0.0000  178.494 11.367  ?       ?       0.000000       11.36734 
1 1 1 -3  8  19 o 120.469  11.512  128.210    23.921  128.210    23.921  0.0000     0.0000  120.469 11.512  ?       ?       0.000000       11.51225 
1 1 1 -3  8  20 o 211.985  11.809  394.698    43.538  394.698    43.538  0.0000     0.0000  211.985 11.809  ?       ?       0.000000       11.80944 
1 1 1 -3  8  21 o 447.169  16.766  1756.20    130.911 1756.20    130.911 0.0000     0.0000  447.169 16.766  ?       ?       0.000000       16.76641 
1 1 1 -3  8  22 o 97.887   10.750  84.865     18.072  99.543     22.628  59.013     30.030  105.877 12.480  80.383  21.121  25.49389       24.53211 
1 1 1 -3  8  23 o 255.265  15.793  574.106    70.044  574.106    70.044  0.0000     0.0000  255.265 15.793  ?       ?       0.000000       15.79276 
1 1 1 -3  8  24 o 328.154  14.695  944.591    84.198  1000.38    103.037 832.462    146.075 336.915 17.576  305.035 27.729  31.88034       32.82997 
1 1 1 -3  8  25 o 231.082  15.401  470.702    61.783  468.184    87.382  473.220    87.368  229.305 22.098  230.570 21.967  -1.264587      31.15880 
1 1 1 -3  8  26 o 272.156  11.251  648.498    53.467  677.555    75.683  619.546    75.546  277.378 15.691  265.089 16.402  12.28894       22.69859 
1 1 1 -3  8  27 o 403.728  13.370  1428.84    94.253  1573.15    133.316 1284.63    133.273 422.916 18.054  381.321 20.087  41.59451       27.00805 
1 1 1 -3  8  28 o 219.523  10.481  421.798    40.173  396.792    56.841  446.756    56.786  212.045 15.459  225.200 14.519  -13.15503      21.20781 
1 1 1 -3  8  29 o 229.466  10.750  460.955    43.070  467.479    60.995  454.467    60.827  230.268 15.257  226.999 15.438  3.268661       21.70509 
1 1 1 -3  8  30 o 511.112  15.894  2294.69    141.844 2357.22    200.588 2232.15    200.607 516.521 22.241  502.461 22.866  14.05981       31.89820 
1 1 1 -3  8  31 o 502.579  15.332  2218.08    134.541 2161.16    190.232 2275.05    190.306 494.559 22.029  507.574 21.473  -13.01505      30.76332 
1 1 1 -3  8  32 o 317.617  12.282  884.122    68.112  938.880    96.330  829.376    96.319  326.305 16.966  306.420 18.083  19.88577       24.79564 
1 1 1 -3  8  33 o 103.309  10.477  94.400     18.637  108.839    26.474  80.215     26.240  110.495 14.039  94.157  16.566  16.33842       21.71415 
1 1 1 -3  8  34 o 524.832  16.099  2421.72    147.529 2474.88    208.631 2368.56    208.645 528.768 22.597  517.123 23.107  11.64429       32.31994 
1 1 1 -3  8  35 o 483.341  17.372  2056.94    146.609 2025.56    253.811 2072.66    179.601 474.448 30.805  484.173 21.244  -9.724213      37.41996 
1 1 1 -3  8  36 o 177.394  12.533  277.358    38.571  352.463    66.115  238.606    47.491  198.945 19.275  163.796 16.845  35.14876       25.59836 
1 1 1 -3  8  37 o 443.278  16.998  1730.67    131.562 1821.38    227.566 1685.14    161.239 450.078 29.113  436.355 21.162  13.72281       35.99209 
1 1 1 -3  8  38 f 260.148  23.684  606.163    106.402 0.0000     0.0000  606.163    106.402 ?       ?       260.148 23.684  0.000000       23.68359 
1 1 1 -3  8  39 o ?        ?       -133.8484  6.9168  -100.2078  9.0254  -181.7265  10.767  ?       ?       ?       ?       0.000000       ?        
1 1 1 -3  8  40 o 410.168  16.140  1482.45    115.592 1322.77    199.805 1562.78    141.715 381.996 30.202  420.299 19.311  -38.30301      35.84813 
1 1 1 -3  8  41 o 120.433  13.743  129.154    28.382  151.282    47.972  117.237    35.204  128.720 22.142  113.774 18.345  14.94611       28.75442 
1 1 1 -3  8  42 o 181.850  12.530  291.900    39.543  280.804    68.069  297.552    48.580  176.161 22.655  183.117 15.335  -6.955963      27.35683 
1 1 1 -3  8  43 o 321.279  12.092  906.919    67.835  923.041    95.783  890.694    96.084  322.675 17.061  316.848 17.435  5.827209       24.39354 
1 1 1 -3  8  44 o 101.171  11.137  90.953     19.348  97.450     27.167  84.265     27.563  103.977 15.432  96.213  17.030  7.764145       22.98193 
1 1 1 -3  8  45 f 332.968  11.977  975.085    69.631  919.109    98.326  1031.40    98.622  321.450 17.585  341.309 16.549  -19.85843      24.14720 
1 1 1 -3  8  46 o 161.118  9.8703  228.728    27.634  214.017    38.942  243.650    39.220  154.980 14.561  165.631 13.684  -10.65144      19.98195 
1 1 1 -3  8  47 o 131.188  10.609  152.276    24.094  155.408    33.967  149.105    34.181  131.672 15.044  128.836 15.506  2.835739       21.60463 
1 1 1 -3  8  48 o 146.839  10.543  190.642    26.850  194.260    37.968  187.021    37.976  147.307 14.969  144.431 15.291  2.876205       21.39877 
1 1 1 -3  8  49 o 188.704  12.025  315.539    39.414  363.701    48.617  223.184    67.323  202.177 13.855  154.198 25.925  47.97887       29.39483 
1 1 1 -3  8  50 o 93.848   13.439  79.569     21.393  71.648     26.878  93.262     35.339  87.865  18.121  99.798  20.948  -11.93267      27.69792 
1 1 1 -3  8  51 f 52.946   16.426  25.051     16.768  31.667     20.069  9.7525     30.518  59.078  17.905  51.636  21.178  7.442028       27.73213 
1 1 1 -3  8  52 o 216.972  10.949  417.055    41.346  384.036    57.962  451.260    58.995  206.393 16.214  224.256 15.155  -17.86356      22.19425 
1 1 1 -3  8  53 o 187.481  12.466  313.536    40.575  304.324    48.844  334.047    72.881  183.683 15.371  189.187 22.504  -5.504089      27.25260 
1 1 1 -3  8  54 o 136.719  12.568  167.701    29.667  157.292    35.756  190.698    53.147  131.309 15.921  142.164 22.131  -10.85408      27.26229 
1 1 1 -3  8  55 o 185.265  12.535  307.381    40.309  292.951    48.943  337.806    71.068  179.538 15.772  189.612 21.867  -10.07384      26.96140 
1 1 1 -3  8  56 o 58.943   16.783  32.465     18.103  54.543     21.072  -29.7619   35.375  76.193  16.330  41.848  19.552  34.34502       25.47455 
1 1 1 -3  8  57 o 93.936   12.249  80.156     19.612  70.239     26.959  91.304     28.584  85.831  18.531  98.653  17.220  -12.82132      25.29679 
1 1 1 -3  8  58 o 30.532   13.270  -1.5496    13.179  -8.8270    18.054  6.7525     19.283  32.611  14.763  41.178  16.855  -8.566868      22.40580 
1 1 1 -3  8  59 o 93.026   12.595  79.172     19.932  58.512     27.261  102.906    29.219  77.442  20.015  104.726 16.527  -27.28441      25.95662 
1 1 1 -3  8  60 o 50.056   16.109  22.794     15.992  23.995     21.775  21.387     23.562  53.008  18.788  52.151  19.386  0.8570900      26.99590 
1 1 1 -3  8  61 o 97.745   15.316  89.675     25.281  85.900     41.907  91.835     31.699  90.950  25.409  97.045  19.386  -6.094452      31.95966 
1 1 1 -3  8  62 o 122.232  13.932  138.252    29.204  177.918    49.538  117.123    36.155  133.759 21.974  109.430 19.644  24.32891       29.47416 
1 1 1 -3  8  63 o 70.689   17.774  49.037     21.916  75.838     35.987  33.238     27.631  85.520  23.415  60.057  21.176  25.46332       31.57026 
1 1 1 -3  8  64 o 34.431   14.343  3.6358     14.298  -7.7460    19.023  18.412     21.675  33.606  15.189  48.774  18.495  -15.16789      23.93239 
1 1 1 -3  8  65 o 50.296   16.728  23.450     17.180  9.5460     24.269  37.418     24.323  45.329  18.768  61.638  19.870  -16.30904      27.33211 
1 1 1 -3  8  66 o 161.068  16.626  249.321    46.086  230.687    64.061  269.309    66.349  145.797 26.124  159.381 24.636  -13.58366      35.90802 
1 1 1 -3  8  67 o 65.388   24.645  42.112     38.339  0.0000     0.0000  42.112     38.339  ?       ?       65.388  24.645  0.000000       24.64502 
1 1 1 -3  8  68 o 39.233   18.109  -14.3231   28.961  0.0000     0.0000  -14.3231   28.961  ?       ?       39.233  18.109  0.000000       18.10880 
1 1 1 -3  9  1  o 191.843  9.3959  321.993    31.474  362.674    36.440  202.510    62.450  203.299 10.299  149.292 24.829  54.00658       26.88040 
1 1 1 -3  9  2  o 424.260  14.083  1578.93    104.322 1603.82    120.498 1504.44    208.450 427.272 16.152  409.923 29.317  17.34860       33.47137 
1 1 1 -3  9  3  o 293.512  11.564  754.522    59.265  771.635    68.480  703.461    118.286 296.676 13.220  280.860 24.362  15.81616       27.71716 
1 1 1 -3  9  4  o 207.633  10.454  378.311    37.778  374.578    43.683  389.386    75.245  206.415 12.174  209.095 20.889  -2.680862      24.17776 
1 1 1 -3  9  5  o 158.220  11.349  220.340    31.144  223.789    38.219  213.522    53.732  159.141 13.893  154.317 20.445  4.823883       24.71885 
1 1 1 -3  9  6  o 72.986   10.164  47.514     12.601  47.575     17.328  47.445     18.357  72.406  14.214  72.196  15.050  0.2095032      20.70105 
1 1 1 -3  9  7  o 243.357  12.414  520.266    52.573  491.418    64.144  579.307    91.765  236.055 15.651  255.474 20.751  -19.41873      25.99163 
1 1 1 -3  9  8  o 547.106  24.194  2649.57    231.120 2649.57    231.120 0.0000     0.0000  547.106 24.194  ?       ?       0.000000       24.19377 
1 1 1 -3  9  9  o 390.590  19.415  1343.84    132.409 1343.84    132.409 0.0000     0.0000  390.590 19.415  ?       ?       0.000000       19.41486 
1 1 1 -3  9  10 o 345.644  18.018  1053.86    108.367 1053.86    108.367 0.0000     0.0000  345.644 18.018  ?       ?       0.000000       18.01825 
1 1 1 -3  9  11 o 254.007  15.794  568.776    69.700  568.776    69.700  0.0000     0.0000  254.007 15.794  ?       ?       0.000000       15.79366 
1 1 1 -3  9  12 o 655.616  27.797  3821.99    318.213 3821.99    318.213 0.0000     0.0000  655.616 27.797  ?       ?       0.000000       27.79749 
1 1 1 -3  9  13 o 233.583  15.403  481.102    62.467  481.102    62.467  0.0000     0.0000  233.583 15.403  ?       ?       0.000000       15.40256 
1 1 1 -3  9  14 o 293.083  12.979  752.967    66.422  752.967    66.422  0.0000     0.0000  293.083 12.979  ?       ?       0.000000       12.97946 
1 1 1 -3  9  15 o 131.980  10.991  153.564    25.098  153.564    25.098  0.0000     0.0000  131.980 10.991  ?       ?       0.000000       10.99086 
1 1 1 -3  9  16 o 593.044  17.614  3093.81    182.396 3006.50    210.566 3356.21    365.036 583.791 20.657  610.362 34.392  -26.57117      40.11899 
1 1 1 -3  9  17 o 386.562  13.174  1310.17    88.917  1219.49    102.601 1583.72    178.207 372.601 15.770  422.188 24.277  -49.58688      28.94936 
1 1 1 -3  9  18 o 134.053  9.8755  158.114    22.952  164.433    26.340  138.180    46.785  136.578 11.142  123.160 22.588  13.41827       25.18665 
1 1 1 -3  9  19 o 506.231  15.727  2251.21    139.012 2251.06    160.464 2251.66    278.303 505.691 18.173  500.514 32.012  5.177673       36.81115 
1 1 1 -3  9  20 o 361.429  12.054  1144.66    76.073  1096.30    87.747  1291.00    152.643 353.458 14.218  381.320 23.034  -27.86169      27.06856 
1 1 1 -3  9  21 o 466.873  14.858  1913.75    121.121 1888.15    139.789 1990.85    242.605 463.280 17.281  471.381 29.626  -8.101624      34.29799 
1 1 1 -3  9  22 o 223.201  10.552  436.195    41.123  435.472    47.370  438.408    82.854  222.572 12.236  221.718 21.679  0.8541718      24.89387 
1 1 1 -3  9  23 o 185.323  10.268  301.593    33.097  279.158    38.067  371.078    66.992  178.039 12.321  204.336 18.994  -26.29733      22.64015 
1 1 1 -3  9  24 o 48.459   14.236  20.944     12.841  30.023     15.306  -0.6262    23.594  57.430  15.074  42.277  18.057  15.15301       23.52129 
1 1 1 -3  9  25 o 39.391   12.117  13.576     9.1468  24.563     13.648  4.6178     12.324  52.132  14.478  33.912  13.622  18.22054       19.87857 
1 1 1 -3  9  26 o 154.994  10.334  211.286    27.806  203.137    39.389  219.381    39.257  151.315 15.111  157.409 14.444  -6.093689      20.90373 
1 1 1 -3  9  27 o 91.773   10.662  74.755     16.767  75.081     24.127  74.451     23.316  91.142  15.730  90.834  15.241  0.3074112      21.90211 
1 1 1 -3  9  28 o 220.614  10.838  426.386    41.750  423.102    59.252  429.624    58.836  218.814 15.611  220.541 15.375  -1.726746      21.91088 
1 1 1 -3  9  29 o 200.769  12.028  354.704    41.972  328.142    73.826  367.390    51.020  191.139 22.555  203.996 14.417  -12.85703      26.76887 
1 1 1 -3  9  30 o 143.147  12.544  181.134    31.038  231.643    54.164  156.441    37.872  160.756 19.710  132.252 16.778  28.50409       25.88364 
1 1 1 -3  9  31 o 835.224  27.600  6240.92    402.505 6527.84    697.049 6097.40    493.006 832.859 48.138  820.079 34.430  12.77991       59.18312 
1 1 1 -3  9  32 o 165.685  15.758  243.792    45.038  328.966    63.119  155.443    64.285  192.029 19.077  129.149 29.193  62.87990       34.87385 
1 1 1 -3  9  33 o 426.386  19.259  1607.91    143.385 0.0000     0.0000  1607.91    143.385 ?       ?       426.386 19.259  0.000000       19.25913 
1 1 1 -3  9  34 o 515.575  18.931  2351.21    170.420 2270.01    295.288 2391.76    208.681 498.344 34.141  518.378 23.055  -20.03445      41.19682 
1 1 1 -3  9  35 o 421.012  15.758  1562.26    115.840 1507.62    200.645 1589.58    141.872 408.412 28.311  423.713 19.176  -15.30096      34.19421 
1 1 1 -3  9  36 f ?        ?       -96.6496   5.6696  -103.9204  9.7812  -92.9706   6.9576  ?       ?       ?       ?       0.000000       ?        
1 1 1 -3  9  37 o 426.632  16.581  1607.86    123.517 1422.08    213.910 1700.78    151.286 394.269 31.331  437.701 19.795  -43.43204      37.06028 
1 1 1 -3  9  38 o 166.973  12.551  246.515    36.324  178.127    62.841  280.829    44.514  138.367 26.980  177.931 14.453  -39.56451      30.60719 
1 1 1 -3  9  39 o 174.116  14.506  269.192    43.699  0.0000     0.0000  269.192    43.699  ?       ?       174.116 14.506  0.000000       14.50562 
1 1 1 -3  9  40 o 49.906   17.387  19.806     18.595  0.0000     0.0000  19.806     18.595  ?       ?       49.906  17.387  0.000000       17.38698 
1 1 1 -3  9  41 o 337.330  14.339  1005.11    84.457  938.419    145.850 1038.76    103.593 320.643 26.282  341.565 17.428  -20.92206      31.53512 
1 1 1 -3  9  42 o 221.560  12.573  434.141    48.439  383.357    83.327  460.061    59.530  204.753 23.748  227.472 15.074  -22.71812      28.12821 
1 1 1 -3  9  43 o 57.187   16.310  29.794     17.083  23.146     27.372  34.035     21.863  56.647  20.927  61.496  18.700  -4.848488      28.06421 
1 1 1 -3  9  44 o 25.767   12.010  -12.3033   13.223  -13.8355   18.081  -10.5416   19.389  31.108  14.341  33.772  15.292  -2.663944      20.96485 
1 1 1 -3  9  45 o 254.461  16.252  579.647    71.830  617.052    101.555 542.201    101.612 259.628 22.628  242.386 24.338  17.24171       33.23194 
1 1 1 -3  9  46 o 59.814   15.691  33.078     16.592  53.516     20.217  -9.0793    29.036  76.121  15.731  43.219  19.205  32.90184       24.82533 
1 1 1 -3  9  47 o 293.447  17.274  776.193    88.119  776.193    88.119  0.0000     0.0000  293.447 17.274  ?       ?       0.000000       17.27414 
1 1 1 -3  9  48 o 155.405  12.188  215.443    32.807  185.209    39.476  282.953    58.987  142.854 16.107  175.512 19.582  -32.65817      25.35546 
1 1 1 -3  9  49 o 261.578  11.249  606.195    51.379  589.607    72.303  623.116    73.025  255.469 16.294  262.816 15.989  -7.346741      22.82857 
1 1 1 -3  9  50 o 173.606  11.021  268.238    33.236  262.762    45.204  274.681    49.034  170.301 15.368  173.737 16.356  -3.436600      22.44310 
1 1 1 -3  9  51 o 111.153  11.790  111.114    22.532  92.504     29.210  138.458    35.408  99.561  17.438  122.456 17.020  -22.89497      24.36766 
1 1 1 -3  9  52 o 121.898  12.844  134.344    26.925  118.175    32.357  170.745    48.550  112.811 16.951  133.874 21.497  -21.06283      27.37651 
1 1 1 -3  9  53 f 61.972   16.447  36.276     18.093  36.995     21.382  34.463     33.952  62.644  18.361  64.144  23.368  -1.500336      29.71848 
1 1 1 -3  9  54 o 52.857   16.598  25.577     17.063  13.439     20.124  56.627     32.186  45.666  17.692  76.137  22.585  -30.47136      28.69001 
1 1 1 -3  9  55 o 162.435  12.417  238.628    34.951  187.876    42.322  347.468    61.978  141.602 17.489  192.236 18.701  -50.63458      25.60483 
1 1 1 -3  9  56 o 39.661   15.540  9.4140     15.661  5.8535     18.493  18.442     29.447  39.827  16.427  53.538  21.204  -13.71056      26.82300 
1 1 1 -3  9  57 o 121.022  13.420  134.621    27.880  112.264    44.602  148.958    35.718  104.406 24.829  125.741 16.680  -21.33493      29.91170 
1 1 1 -3  9  58 o 119.637  13.107  131.671    26.933  76.706     43.904  164.834    34.103  85.274  26.600  133.041 14.939  -47.76656      30.50767 
1 1 1 -3  9  59 o 89.378   14.954  75.555     22.513  50.139     35.982  91.903     28.859  70.915  24.210  97.447  17.609  -26.53169      29.93688 
1 1 1 -3  9  60 o 59.883   15.269  34.632     16.014  22.928     20.846  51.485     25.014  51.288  18.360  71.679  19.478  -20.39087      26.76740 
1 1 1 -3  9  61 o 113.503  13.308  119.943    25.874  84.499     31.116  199.363    46.578  91.478  20.035  142.362 19.230  -50.88320      27.77082 
1 1 1 -3  9  62 o 73.703   16.118  53.144     20.165  12.247     24.103  148.517    36.808  46.378  18.898  123.416 17.577  -77.03752      25.80870 
1 1 1 -3  9  63 o 42.927   16.288  14.102     16.817  -1.6934    19.860  54.119     31.611  36.580  16.085  71.555  22.608  -34.97545      27.74635 
1 1 1 -3  9  64 o 126.207  12.979  149.261    28.193  100.636    45.834  178.857    35.758  93.234  26.756  136.547 15.259  -43.31296      30.80120 
1 1 1 -3  9  65 o 96.884   15.403  91.503     25.184  92.722     40.547  90.738     32.134  90.241  24.914  93.012  20.352  -2.771469      32.17006 
1 1 1 -3  10 1  o 716.124  24.275  4554.79    303.537 4582.60    371.774 4499.19    525.686 715.245 29.769  697.725 43.364  17.51990       52.59906 
1 1 1 -3  10 2  o 481.564  17.747  2043.30    149.221 2092.48    182.800 1945.06    258.340 486.277 21.529  464.054 32.080  22.22318       38.63467 
1 1 1 -3  10 3  o 230.526  12.470  467.405    50.008  461.165    61.348  479.762    86.332  228.522 15.466  231.889 21.569  -3.367081      26.54101 
1 1 1 -3  10 4  o 162.967  11.474  233.894    32.442  231.527    39.816  238.570    55.961  161.755 14.243  163.168 20.065  -1.412964      24.60586 
1 1 1 -3  10 5  o 626.040  21.703  3468.72    237.234 3506.34    290.576 3393.52    410.831 627.327 26.528  609.122 38.830  18.20477       47.02640 
1 1 1 -3  10 6  o 273.205  11.260  654.059    53.715  638.464    75.747  669.835    76.185  268.921 16.207  275.527 15.904  -6.606018      22.70685 
1 1 1 -3  10 7  o 321.968  12.078  908.882    67.900  849.421    95.868  968.734    96.183  309.993 17.786  331.354 16.678  -21.36041      24.38212 
1 1 1 -3  10 8  o 105.187  9.7197  97.684     17.650  76.139     24.463  121.074    25.490  91.771  15.839  116.807 12.702  -25.03638      20.30360 
1 1 1 -3  10 9  o 327.241  12.106  938.943    69.171  894.817    97.692  983.306    97.954  318.215 17.652  333.795 16.861  -15.57996      24.41065 
1 1 1 -3  10 10 o 37.983   11.717  12.606     8.5453  5.8469     11.718  20.284     12.489  34.164  13.425  47.696  14.048  -13.53137      19.43121 
1 1 1 -3  10 11 o 317.116  13.980  883.051    77.410  864.603    94.706  920.185    134.366 312.818 17.408  321.021 24.148  -8.203857      29.76876 
1 1 1 -3  10 12 o 203.090  10.541  362.250    37.251  363.236    42.916  359.236    75.016  203.168 12.153  200.297 21.802  2.870605       24.96033 
1 1 1 -3  10 13 o 168.665  10.189  250.041    29.866  253.075    34.359  240.665    60.405  169.512 11.680  163.507 21.693  6.004501       24.63782 
1 1 1 -3  10 14 o 232.117  10.673  472.007    43.259  460.905    49.873  505.735    86.927  228.884 12.527  238.173 21.122  -9.288696      24.55691 
1 1 1 -3  10 15 o 125.298  10.005  138.353    21.707  137.028    24.875  142.584    44.446  124.495 11.576  125.307 21.061  -0.8117981     24.03274 
1 1 1 -3  10 16 o 253.077  10.995  561.265    48.585  526.290    55.983  667.982    97.791  244.519 13.161  274.066 20.586  -29.54749      24.43305 
1 1 1 -3  10 17 o 602.141  17.842  3197.17    187.586 3118.91    216.557 3432.38    375.424 593.632 20.893  614.284 35.148  -20.65210      40.88840 
1 1 1 -3  10 18 o 459.706  17.229  1862.50    138.298 1785.17    169.233 2017.96    239.955 448.860 21.593  473.553 29.162  -24.69315      36.28593 
1 1 1 -3  10 19 o 542.440  19.396  2600.24    183.706 2550.34    224.877 2700.33    318.516 535.475 24.052  545.304 33.617  -9.829590      41.33459 
1 1 1 -3  10 20 o 441.744  16.999  1719.92    131.113 1687.93    160.421 1784.28    227.549 436.516 21.047  444.843 29.463  -8.327209      36.20821 
1 1 1 -3  10 21 o 331.687  14.306  967.120    82.853  913.106    101.175 1077.09    144.361 321.134 18.118  347.115 23.965  -25.98169      30.04307 
1 1 1 -3  10 22 o 371.757  17.602  1219.47    114.259 1063.34    160.680 1379.19    162.510 343.720 26.990  392.961 23.797  -49.24075      35.98250 
1 1 1 -3  10 23 o 250.362  15.387  553.838    66.938  506.046    93.220  604.711    96.178  237.564 22.751  260.260 21.352  -22.69621      31.20176 
1 1 1 -3  10 24 o 493.987  21.977  2167.79    189.557 2042.12    267.500 2294.55    268.653 473.626 32.544  503.267 30.720  -29.64096      44.75264 
1 1 1 -3  10 25 f 267.434  16.212  632.783    75.348  615.794    105.307 650.603    107.854 261.977 23.263  269.365 23.157  -7.388397      32.82409 
1 1 1 -3  10 26 o 185.262  14.943  304.133    47.927  294.500    66.713  314.408    68.897  180.843 21.552  186.949 21.498  -6.105804      30.44082 
1 1 1 -3  10 27 o ?        ?       -29.0721   4.9603  -69.0530   16.891  -25.2988   5.1891  ?       ?       ?       ?       0.000000       ?        
1 1 1 -3  10 28 o 297.986  12.074  779.900    62.822  724.972    108.988 807.230    76.878  284.494 22.114  302.753 14.543  -18.25912      26.46760 
1 1 1 -3  10 29 o 394.916  14.836  1374.49    102.301 1330.35    177.446 1396.46    125.203 383.692 26.652  397.164 18.054  -13.47156      32.19113 
1 1 1 -3  10 30 o 117.113  14.967  122.852    29.905  130.620    52.675  119.158    36.328  118.311 26.190  114.487 18.827  3.823891       32.25519 
1 1 1 -3  10 31 o 328.101  14.329  948.949    82.092  903.462    142.460 971.562    100.446 315.684 26.078  330.780 17.453  -15.09634      31.37980 
1 1 1 -3  10 32 o 171.792  12.581  261.044    37.476  229.746    65.438  276.320    45.716  158.190 24.482  176.305 14.993  -18.11470      28.70804 
1 1 1 -3  10 33 o 102.414  13.558  94.017     23.649  80.229     40.750  101.020    29.040  92.751  24.715  105.660 16.262  -12.90949      29.58560 
1 1 1 -3  10 34 o 210.640  10.860  390.926    39.808  383.072    56.390  398.728    56.205  207.484 15.681  211.798 15.301  -4.314499      21.90924 
1 1 1 -3  10 35 o 226.498  11.072  451.163    43.789  416.270    61.816  486.307    62.039  216.005 16.515  233.912 15.274  -17.90648      22.49505 
1 1 1 -3  10 36 f 158.973  10.537  223.164    29.082  210.358    40.958  236.186    41.300  153.299 15.515  162.720 14.695  -9.421371      21.36957 
1 1 1 -3  10 37 o 42.147   13.999  14.927     12.032  22.429     16.800  7.0269     17.241  50.952  16.523  40.197  16.124  10.75484       23.08619 
1 1 1 -3  10 38 o 54.883   15.378  27.519     15.326  5.1531     19.073  68.283     25.749  40.727  16.727  85.931  17.749  -45.20348      24.38896 
1 1 1 -3  10 39 o 232.465  12.749  479.380    51.550  484.396    63.288  469.493    88.859  232.752 15.664  226.178 22.812  6.574005       27.67191 
1 1 1 -3  10 40 o 114.412  12.455  117.144    24.481  113.723    30.336  123.531    41.453  111.834 15.990  115.003 21.432  -3.168678      26.73995 
1 1 1 -3  10 41 o 104.001  12.598  97.184     22.410  111.311    28.002  72.016     37.376  110.840 14.841  87.048  23.874  23.79137       28.11101 
1 1 1 -3  10 42 o 50.491   15.382  22.945     14.783  25.051     19.015  19.726     23.505  53.623  17.588  52.176  19.369  1.446110       26.16267 
1 1 1 -3  10 43 f 202.292  15.111  368.258    52.989  261.704    74.035  480.176    75.875  165.145 26.576  229.174 19.136  -64.02934      32.74924 
1 1 1 -3  10 44 o 107.106  11.024  102.646    20.322  92.451     28.465  113.245    29.022  99.952  16.913  111.368 15.331  -11.41650      22.82767 
1 1 1 -3  10 45 o 54.753   14.226  27.856     13.724  32.063     19.289  23.542     19.531  58.911  17.486  52.480  17.837  6.430977       24.97866 
1 1 1 -3  10 46 o 172.241  10.544  264.041    31.558  229.426    44.454  299.207    44.807  158.395 16.306  182.021 14.211  -23.62587      21.62971 
1 1 1 -3  10 47 o 87.804   12.515  70.206     18.644  60.303     24.966  82.692     28.034  79.599  18.340  93.704  17.785  -14.10500      25.54721 
1 1 1 -3  10 48 o 48.045   15.559  20.530     14.902  23.202     19.598  16.868     22.944  51.971  17.865  49.577  18.974  2.394455       26.06060 
1 1 1 -3  10 49 o 40.424   14.800  12.312     13.643  -5.6311    17.476  40.313     21.831  33.329  14.849  65.015  18.401  -31.68600      23.64554 
1 1 1 -3  10 50 o 70.186   16.035  46.818     19.221  47.774     22.739  44.425     35.974  70.391  18.323  69.323  24.182  1.067413       30.33949 
1 1 1 -3  10 51 o 129.883  12.642  153.557    28.307  128.677    34.058  209.135    50.904  116.770 17.221  147.431 20.314  -30.66183      26.63112 
1 1 1 -3  10 52 o 75.078   17.804  54.675     22.986  36.890     29.684  81.310     36.327  63.237  21.972  89.539  23.087  -26.30174      31.87099 
1 1 1 -3  10 53 o 50.612   17.644  22.410     19.149  19.072     23.965  28.304     31.848  50.684  19.393  59.016  22.409  -8.331295      29.63560 
1 1 1 -3  10 54 f 86.684   17.652  73.071     25.810  62.534     33.945  87.511     39.736  78.034  23.205  91.426  24.427  -13.39150      33.69193 
1 1 1 -3  10 55 o 62.283   16.197  37.701     17.780  18.862     27.285  51.605     23.441  51.860  20.451  72.113  18.520  -20.25364      27.59067 
1 1 1 -3  10 56 o 29.584   13.040  -2.5703    13.127  7.3984     14.970  -35.7281   27.303  37.366  15.012  33.114  15.947  4.252289       21.90131 
1 1 1 -3  10 57 o 83.245   14.528  66.107     20.349  37.278     23.996  139.925    38.397  61.379  19.730  118.755 19.170  -57.37572      27.50964 
1 1 1 -3  10 58 o 83.196   15.288  66.870     21.390  61.897     25.522  78.608     39.212  78.144  18.910  84.594  24.885  -6.449844      31.25447 
1 1 1 -3  10 59 o 48.486   17.610  20.601     19.260  28.797     27.346  12.534     27.132  56.198  20.886  47.908  19.841  8.289410       28.80740 
1 1 1 -3  10 60 o 64.874   18.244  42.964     21.530  21.129     31.634  61.806     29.387  53.555  21.714  76.151  21.278  -22.59579      30.40178 
1 1 1 -3  10 61 o 48.439   17.720  20.967     19.552  18.279     27.732  23.624     27.571  50.307  20.354  52.870  20.646  -2.563473      28.99192 
1 1 1 -3  10 62 o 88.075   13.968  75.031     20.764  80.554     26.442  66.147     33.535  88.885  17.660  76.571  23.131  12.31424       29.10220 
1 1 1 -3  11 1  o 154.097  10.321  209.113    27.610  206.741    32.117  215.831    54.049  152.967 12.124  154.657 20.522  -1.690491      23.83546 
1 1 1 -3  11 2  o 240.866  11.227  509.044    47.218  492.372    54.689  557.871    93.591  236.283 13.310  249.570 21.693  -13.28726      25.45081 
1 1 1 -3  11 3  o 356.647  15.216  1120.69    94.753  1091.96    116.261 1177.54    163.520 350.642 19.061  361.543 26.078  -10.90048      32.30121 
1 1 1 -3  11 4  o 110.314  12.212  108.156    23.128  115.874    28.971  94.594     38.405  113.753 14.948  101.185 22.335  12.56805       26.87582 
1 1 1 -3  11 5  o 137.861  12.156  168.175    28.961  162.471    35.766  179.038    49.357  134.922 15.461  140.581 20.730  -5.658722      25.86035 
1 1 1 -3  11 6  o 542.876  19.220  2610.88    182.190 2333.69    315.353 2749.75    223.210 502.976 36.149  555.378 23.018  -52.40146      42.85490 
1 1 1 -3  11 7  o 393.113  15.607  1362.33    107.125 1265.43    185.290 1410.99    131.292 373.650 28.618  399.191 18.836  -25.54099      34.26063 
1 1 1 -3  11 8  o 265.343  13.117  618.938    60.771  575.834    104.895 640.716    74.558  252.833 24.050  269.073 15.940  -16.24049      28.85337 
1 1 1 -3  11 9  o 86.061   11.329  66.103     16.610  61.795     22.900  70.886     24.129  82.249  16.519  88.282  16.252  -6.033501      23.17364 
1 1 1 -3  11 10 o 197.640  10.476  343.501    36.023  333.469    50.575  353.832    51.322  193.975 15.050  199.890 14.810  -5.914459      21.11475 
1 1 1 -3  11 11 o 282.967  11.688  702.984    57.747  710.865    66.510  678.851    116.392 284.298 13.398  274.445 24.548  9.852722       27.96627 
1 1 1 -3  11 12 o 310.056  13.961  846.122    75.583  866.502    92.446  805.032    131.266 312.717 16.994  298.670 25.412  14.04611       30.57126 
1 1 1 -3  11 13 o 140.165  10.385  173.233    25.234  160.671    28.840  214.255    52.116  134.663 12.405  154.180 19.818  -19.51749      23.38001 
1 1 1 -3  11 14 o 442.651  16.879  1731.54    130.457 1802.72    159.800 1589.29    225.890 450.439 20.318  416.993 31.252  33.44592       37.27592 
1 1 1 -3  11 15 f 209.357  12.254  386.452    44.600  359.174    54.390  442.446    77.925  201.180 15.606  222.256 20.304  -21.07541      25.60849 
1 1 1 -3  11 16 o ?        ?       -44.0118   4.1223  -44.0118   4.1223  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 -3  11 17 o 214.154  13.616  405.338    50.651  470.982    61.529  267.330    89.214  230.539 15.373  168.864 31.414  61.67549       34.97353 
1 1 1 -3  11 18 o 125.449  13.988  140.306    30.119  78.743     38.331  239.657    48.694  92.061  23.704  163.679 17.300  -71.61811      29.34556 
1 1 1 -3  11 19 f 438.777  15.735  1700.55    120.548 1463.72    147.562 2175.74    209.020 404.762 20.951  492.362 24.313  -87.60052      32.09464 
1 1 1 -3  11 20 o 264.305  10.633  613.235    49.069  593.898    56.416  673.307    99.437  259.843 12.435  274.050 20.939  -14.20731      24.35270 
1 1 1 -3  11 21 o 129.946  13.923  150.504    31.099  215.754    37.043  -5.3055    57.241  155.877 13.751  63.794  27.692  92.08295       30.91799 
1 1 1 -3  11 22 o 285.525  13.691  718.650    68.255  711.427    83.142  733.581    119.534 282.891 16.910  284.616 24.285  -1.725464      29.59243 
1 1 1 -3  11 23 o 173.700  11.039  266.181    33.308  263.754    38.178  273.916    68.153  172.602 12.758  173.276 23.102  -0.6745300     26.39039 
1 1 1 -3  11 24 o 176.943  10.896  276.170    33.501  264.542    38.378  313.394    68.666  172.821 12.809  185.925 21.551  -13.10416      25.07044 
1 1 1 -3  11 25 o 86.770   12.161  67.553     17.919  76.837     20.194  33.185     38.854  92.514  12.848  67.442  24.929  25.07188       28.04518 
1 1 1 -3  11 26 o 61.802   14.754  35.122     15.701  24.258     18.119  67.867     31.457  52.995  17.156  85.367  21.201  -32.37279      27.27284 
1 1 1 -3  11 27 o 336.359  14.743  1001.39    86.588  998.208    105.888 1007.82    150.431 334.162 18.217  331.704 26.186  2.457703       31.89917 
1 1 1 -3  11 28 o 108.976  10.683  105.452    20.066  108.319    23.002  96.324     41.046  110.193 12.157  101.229 23.649  8.963448       26.59073 
1 1 1 -3  11 29 o 263.621  13.131  614.171    60.444  636.849    74.024  568.800    104.703 267.232 15.937  248.992 24.396  18.23935       29.14055 
1 1 1 -3  11 30 o 176.514  10.600  275.287    32.518  269.715    46.199  280.759    45.779  173.569 15.404  177.243 14.931  -3.674103      21.45293 
1 1 1 -3  11 31 o 219.134  10.908  423.241    41.737  421.441    59.121  425.028    58.931  217.035 15.707  218.001 15.584  -0.9663086     22.12665 
1 1 1 -3  11 32 o 324.791  14.431  937.428    81.842  921.899    100.465 968.063    141.112 320.043 18.052  323.483 25.182  -3.440460      30.98373 
1 1 1 -3  11 33 o 102.591  15.551  95.889     26.983  150.633    43.956  62.785     34.182  127.526 20.430  81.639  22.997  45.88737       30.76136 
1 1 1 -3  11 34 o 99.776   16.617  91.443     27.931  92.134     44.065  90.979     36.112  97.860  25.523  98.093  21.663  -0.2331619     33.47659 
1 1 1 -3  11 35 o 165.283  12.420  243.651    35.582  224.617    44.197  278.715    59.988  157.447 16.313  174.017 20.113  -16.56998      25.89736 
1 1 1 -3  11 36 o 271.475  16.574  665.521    78.186  665.521    78.186  0.0000     0.0000  271.475 16.574  ?       ?       0.000000       16.57370 
1 1 1 -3  11 37 o 174.267  12.300  271.227    37.187  288.518    45.408  236.014    64.798  178.936 14.662  157.446 24.357  21.48955       28.42957 
1 1 1 -3  11 38 o 140.633  12.424  177.379    30.194  165.005    36.501  204.197    53.735  134.484 15.849  147.341 21.521  -12.85786      26.72721 
1 1 1 -3  11 39 o 195.939  10.700  341.435    36.468  307.690    51.223  376.118    51.931  183.835 16.121  204.070 14.672  -20.23474      21.79795 
1 1 1 -3  11 40 o 221.246  12.595  438.723    48.453  377.049    58.938  567.313    85.104  203.011 16.777  247.097 19.894  -44.08577      26.02382 
1 1 1 -3  11 41 o 105.592  11.376  100.420    20.642  94.931     28.953  106.093    29.439  100.761 17.066  106.943 16.279  -6.181572      23.58495 
1 1 1 -3  11 42 o 166.083  10.645  246.427    30.706  224.311    43.037  269.359    43.823  156.196 16.006  171.922 14.741  -15.72643      21.76009 
1 1 1 -3  11 43 o 51.290   14.966  24.436     14.234  22.412     19.335  26.831     21.033  51.168  17.735  54.949  18.511  -3.780312      25.63605 
1 1 1 -3  11 44 o 109.833  11.454  109.113    21.643  84.001     29.872  136.860    31.400  93.409  18.963  121.694 15.102  -28.28543      24.24176 
1 1 1 -3  11 45 o 198.741  10.844  354.399    37.487  317.699    52.488  392.612    53.559  184.939 16.425  206.765 14.936  -21.82535      22.20044 
1 1 1 -3  11 46 o 135.199  10.970  164.933    25.674  141.978    35.638  189.702    37.018  122.561 17.120  143.104 15.040  -20.54250      22.78829 
1 1 1 -3  11 47 o 138.306  15.893  179.140    37.684  137.461    52.275  224.230    54.372  114.141 26.704  151.221 21.173  -37.08049      34.07924 
1 1 1 -3  11 48 o 64.856   19.384  41.257     23.642  23.504     32.216  61.977     34.804  56.639  22.259  77.714  23.585  -21.07504      32.42982 
1 1 1 -3  11 49 o 70.373   19.166  49.307     24.188  32.975     32.511  69.554     36.199  61.107  22.760  81.584  23.884  -20.47689      32.99244 
1 1 1 -3  11 50 o 94.055   18.230  86.994     28.857  62.318     39.800  114.344    41.900  76.848  25.457  104.612 23.511  -27.76455      34.65301 
1 1 1 -3  11 51 o 47.157   16.340  19.815     16.411  24.315     19.132  7.2862     31.927  51.451  17.653  48.975  20.963  2.476498       27.40569 
1 1 1 -3  11 52 f 80.440   15.018  62.309     20.317  45.649     24.000  104.448    38.169  67.098  19.392  99.789  22.449  -32.69035      29.66516 
1 1 1 -3  11 53 o 135.882  12.758  171.763    29.915  155.303    35.917  209.048    54.057  126.497 16.667  141.502 22.642  -15.00510      28.11520 
1 1 1 -3  11 54 o 70.006   18.037  49.741     22.185  51.817     38.221  48.687     27.244  69.711  24.871  68.244  20.899  1.466484       32.48591 
1 1 1 -3  11 55 o 61.500   18.465  38.566     21.417  63.838     35.466  24.061     26.870  75.819  23.946  53.085  20.478  22.73406       31.50838 
1 1 1 -3  11 56 o 62.991   21.003  41.586     27.075  0.0000     0.0000  41.586     27.075  ?       ?       62.991  21.003  0.000000       21.00260 
1 1 1 -3  11 57 o 85.741   15.545  72.777     22.416  64.010     34.358  79.274     29.578  75.043  23.551  86.392  20.003  -11.34879      30.89908 
1 1 1 -3  11 58 o 57.771   15.151  33.561     15.472  9.6605     19.633  72.724     25.132  41.181  16.949  83.939  17.704  -42.75813      24.50944 
1 1 1 -3  12 1  o 304.620  12.150  817.581    64.625  819.204    74.853  812.829    128.078 304.445 14.081  298.547 24.794  5.898468       28.51340 
1 1 1 -3  12 2  o 67.000   16.634  41.415     19.370  27.371     28.179  53.993     26.669  59.526  21.343  76.306  19.834  -16.77973      29.13591 
1 1 1 -3  12 3  o 296.686  16.922  784.567    87.299  731.068    123.162 838.585    123.758 282.849 25.202  303.926 23.503  -21.07675      34.46075 
1 1 1 -3  12 4  o 377.497  19.116  1275.49    125.590 1227.05    177.435 1324.13    177.787 365.128 28.045  380.095 26.963  -14.96622      38.90459 
1 1 1 -3  12 5  o 121.683  15.006  132.980    31.206  112.108    43.876  154.348    44.394  109.452 23.649  129.889 20.233  -20.43724      31.12320 
1 1 1 -3  12 6  o 108.714  15.188  106.609    28.043  94.674     38.658  119.865    40.740  100.655 22.555  113.858 21.275  -13.20318      31.00552 
1 1 1 -3  12 7  o 357.720  18.591  1144.56    115.720 1164.62    163.743 1124.53    163.561 356.525 26.493  350.006 26.971  6.518829       37.80629 
1 1 1 -3  12 8  o 291.553  16.862  758.002    85.474  779.411    120.957 736.649    120.800 292.624 23.882  284.085 24.596  8.539673       34.28240 
1 1 1 -3  12 9  o 295.325  16.936  777.972    86.965  820.024    123.048 736.002    122.927 300.250 23.663  283.660 25.078  16.58987       34.47904 
1 1 1 -3  12 10 o 185.366  12.480  304.370    40.159  356.609    68.744  277.306    49.480  198.557 20.105  175.986 16.287  22.57076       25.87468 
1 1 1 -3  12 11 o 289.472  13.457  740.377    68.019  685.367    83.022  852.692    118.629 276.949 17.254  306.753 22.301  -29.80444      28.19629 
1 1 1 -3  12 12 o 155.685  12.284  215.056    33.122  208.484    39.968  229.464    59.179  152.622 15.200  158.180 22.024  -5.557800      26.76017 
1 1 1 -3  12 13 o 207.863  12.491  382.605    45.126  357.779    54.814  434.814    79.490  200.125 15.816  218.929 21.054  -18.80446      26.33249 
1 1 1 -3  12 14 o 286.658  13.767  726.989    68.906  677.690    84.360  825.814    119.441 275.074 17.657  301.274 22.876  -26.20032      28.89822 
1 1 1 -3  12 15 o 261.001  12.918  601.900    58.873  566.762    72.177  671.757    101.768 251.815 16.507  272.071 21.600  -20.25568      27.18512 
1 1 1 -3  12 16 o 159.983  12.329  227.268    34.175  227.989    41.887  225.833    59.104  159.543 15.221  156.597 22.241  2.945313       26.95038 
1 1 1 -3  12 17 o 235.542  12.890  491.935    52.814  437.553    64.657  600.963    91.551  220.865 16.894  257.499 20.533  -36.63400      26.58971 
1 1 1 -3  12 18 o 167.255  14.943  250.410    43.181  230.957    60.016  271.287    62.174  158.178 22.353  172.109 21.133  -13.93187      30.76122 
1 1 1 -3  12 19 o 42.618   15.389  13.594     14.679  24.716     17.542  -12.3867   26.812  52.993  16.852  40.249  18.126  12.74430       24.74962 
1 1 1 -3  12 20 o 176.927  10.458  276.779    32.164  258.443    36.972  333.848    65.226  170.478 12.508  191.451 19.798  -20.97304      23.41807 
1 1 1 -3  12 21 o 165.891  10.530  243.571    30.344  250.682    34.847  221.265    61.716  167.979 11.959  153.875 23.734  14.10364       26.57642 
1 1 1 -3  12 22 o 389.925  13.370  1349.39    91.031  1307.27    105.015 1476.70    182.577 382.600 15.720  397.875 26.431  -15.27570      30.75235 
1 1 1 -3  12 23 o 223.905  10.961  442.787    42.853  435.457    49.304  465.430    86.651  221.223 12.819  224.540 22.400  -3.316132      25.80888 
1 1 1 -3  12 24 o 55.630   13.938  28.612     13.511  28.733     15.047  28.112     30.698  55.790  15.085  60.552  22.195  -4.762154      26.83597 
1 1 1 -3  12 25 f 65.818   14.590  40.131     16.328  40.131     16.328  0.0000     0.0000  65.818  14.590  ?       ?       0.000000       14.59047 
1 1 1 -3  12 26 o 38.438   14.083  10.724     12.357  10.724     12.357  0.0000     0.0000  38.438  14.083  ?       ?       0.000000       14.08311 
1 1 1 -3  12 27 o 459.758  17.892  1915.04    143.633 1915.04    143.633 0.0000     0.0000  459.758 17.892  ?       ?       0.000000       17.89207 
1 1 1 -3  12 28 o 261.010  13.538  609.827    61.487  609.827    61.487  0.0000     0.0000  261.010 13.538  ?       ?       0.000000       13.53818 
1 1 1 -3  12 29 o 185.109  11.981  305.972    38.518  305.972    38.518  0.0000     0.0000  185.109 11.981  ?       ?       0.000000       11.98133 
1 1 1 -3  12 30 o 232.906  10.883  481.341    44.259  479.144    50.913  488.135    89.542  231.401 12.649  227.492 22.851  3.908417       26.11826 
1 1 1 -3  12 31 o 45.056   13.992  18.207     12.164  17.500     13.427  21.444     28.733  44.892  14.782  55.500  21.235  -10.60807      25.87317 
1 1 1 -3  12 32 o 97.501   13.524  86.804     22.403  65.879     27.442  128.619    38.793  82.985  19.303  116.586 19.762  -33.60064      27.62537 
1 1 1 -3  12 33 o 135.338  10.828  163.953    25.373  167.833    35.789  160.031    35.978  135.271 15.428  131.837 15.954  3.433990       22.19392 
1 1 1 -3  12 34 o 128.889  10.980  149.059    24.474  120.538    34.765  177.082    34.460  113.113 18.221  139.288 14.376  -26.17522      23.20921 
1 1 1 -3  12 35 f 29.388   12.755  -1.3353    12.141  0.8038     18.259  -3.0306    16.256  37.124  15.871  33.219  14.581  3.904987       21.55214 
1 1 1 -3  12 36 f 198.090  10.794  351.340    37.195  323.825    52.247  379.613    52.963  187.301 16.133  203.613 15.003  -16.31227      22.03094 
1 1 1 -3  12 37 o 52.027   16.113  25.035     16.143  20.137     21.557  31.289     24.358  50.459  18.584  58.732  19.920  -8.273010      27.24293 
1 1 1 -3  12 38 o 107.189  12.334  104.879    22.664  90.349     30.743  122.175    33.542  96.645  18.896  113.484 17.489  -16.83893      25.74693 
1 1 1 -3  12 39 o 79.492   15.532  59.985     20.786  45.468     25.038  92.174     37.283  68.134  19.840  95.499  22.694  -27.36539      30.14383 
1 1 1 -3  12 40 o 29.017   12.982  -4.8639    13.509  -10.7484   15.803  11.109     26.036  29.149  13.427  47.727  19.566  -18.57753      23.72976 
1 1 1 -3  12 41 o 62.465   19.386  37.954     23.353  35.401     31.966  40.877     34.199  62.443  22.685  65.844  23.522  -3.400764      32.67904 
1 1 1 -3  12 42 o 144.654  15.781  197.236    39.212  165.851    54.348  231.312    56.631  125.275 25.708  151.843 22.001  -26.56810      33.83655 
1 1 1 -3  12 43 o 48.107   18.180  18.084     20.897  12.984     28.427  24.079     30.824  49.523  20.390  55.840  21.823  -6.316723      29.86635 
1 1 1 -3  12 44 o 88.769   18.734  78.575     28.124  64.422     38.947  93.998     40.656  77.574  25.157  93.469  24.583  -15.89516      35.17388 
1 1 1 -3  12 45 o 184.755  15.962  325.137    50.987  262.669    71.351  390.323    72.887  154.211 27.507  195.984 21.661  -41.77283      35.01237 
1 1 1 -3  12 46 f 39.894   15.430  11.105     15.287  8.3332     17.812  18.856     29.787  39.953  16.258  52.265  21.113  -12.31184      26.64722 
1 1 1 -3  12 47 o 42.363   15.700  14.534     15.432  5.7376     18.680  33.438     27.385  39.074  16.346  58.808  21.045  -19.73374      26.64699 
1 1 1 -3  12 48 o 93.021   14.510  83.195     22.798  65.181     27.291  124.798    41.473  79.123  19.801  107.878 22.735  -28.75539      30.14882 
1 1 1 -3  12 49 o 71.157   17.276  51.338     21.249  50.156     37.628  51.891     25.747  68.146  24.634  70.196  20.024  -2.050385      31.74612 
1 1 1 -3  12 50 o 48.347   17.322  21.465     18.559  23.041     32.832  20.726     22.498  54.279  22.079  49.281  18.806  4.997894       29.00269 
1 1 1 -3  12 51 o 69.213   17.516  49.408     21.186  54.744     37.331  46.873     25.731  69.450  24.601  66.121  20.321  3.328758       31.90831 
1 1 1 -3  12 52 o 37.069   14.843  8.5910     14.583  0.3319     20.411  17.204     20.844  37.231  16.340  46.089  17.964  -8.858898      24.28415 
1 1 1 -3  12 53 o 34.329   14.194  5.4577     13.853  -1.7988    19.422  12.974     19.766  35.377  15.714  42.896  17.244  -7.518421      23.32979 
1 1 1 -3  13 1  o 62.268   16.052  36.180     17.564  36.180     17.564  0.0000     0.0000  62.268  16.052  ?       ?       0.000000       16.05250 
1 1 1 -3  13 2  o 196.032  12.753  343.326    43.414  343.326    43.414  0.0000     0.0000  196.032 12.753  ?       ?       0.000000       12.75291 
1 1 1 -3  13 3  o 191.668  12.289  327.740    40.911  327.740    40.911  0.0000     0.0000  191.668 12.289  ?       ?       0.000000       12.28914 
1 1 1 -3  13 4  o 306.948  14.477  843.099    77.592  843.099    77.592  0.0000     0.0000  306.948 14.477  ?       ?       0.000000       14.47730 
1 1 1 -3  13 5  o 267.348  11.735  634.297    54.780  596.563    63.315  746.646    109.251 257.987 14.109  283.436 22.254  -25.44916      26.34969 
1 1 1 -3  13 6  o 43.957   13.949  17.029     12.024  11.194     13.611  37.768     25.660  39.766  14.744  64.359  20.373  -24.59230      25.14814 
1 1 1 -3  13 7  o 79.038   11.786  56.609     15.768  44.767     20.877  72.335     24.059  69.041  17.342  88.358  16.191  -19.31723      23.72493 
1 1 1 -3  13 8  o 216.328  12.345  417.490    46.437  394.109    79.781  429.470    57.108  205.087 22.658  218.288 15.076  -13.20151      27.21465 
1 1 1 -3  13 9  o 152.723  11.952  208.440    31.617  205.266    53.620  210.132    39.147  147.930 21.379  152.384 14.903  -4.454361      26.06110 
1 1 1 -3  13 10 o 78.176   14.316  56.325     18.821  68.270     22.333  27.051     34.962  85.943  15.450  61.566  23.455  24.37692       28.08653 
1 1 1 -3  13 11 o 234.308  13.066  491.250    53.243  461.408    64.905  552.646    93.096  225.376 16.610  243.204 22.166  -17.82799      27.69932 
1 1 1 -3  13 12 o 47.569   14.589  20.393     13.270  20.393     13.270  0.0000     0.0000  47.569  14.589  ?       ?       0.000000       14.58889 
1 1 1 -3  13 13 o 210.693  12.857  397.513    47.073  397.513    47.073  0.0000     0.0000  210.693 12.857  ?       ?       0.000000       12.85717 
1 1 1 -3  13 14 o 330.532  14.668  982.014    84.655  982.014    84.655  0.0000     0.0000  330.532 14.668  ?       ?       0.000000       14.66812 
1 1 1 -3  13 15 o 103.622  11.195  96.444     19.934  93.194     22.799  106.990    41.070  101.293 13.205  105.076 23.022  -3.783279      26.53975 
1 1 1 -3  13 16 o 134.172  10.624  160.683    24.686  173.748    28.390  120.179    49.986  139.209 11.791  109.950 26.376  29.25924       28.89117 
1 1 1 -3  13 17 o 149.191  12.540  200.171    32.363  200.171    32.363  0.0000     0.0000  149.191 12.540  ?       ?       0.000000       12.53983 
1 1 1 -3  13 18 o 86.357   14.295  68.751     20.801  68.751     20.801  0.0000     0.0000  86.357  14.295  ?       ?       0.000000       14.29499 
1 1 1 -3  13 19 o 118.999  12.196  127.764    24.982  127.764    24.982  0.0000     0.0000  118.999 12.196  ?       ?       0.000000       12.19556 
1 1 1 -3  13 20 o 43.974   14.826  16.529     13.492  16.529     13.492  0.0000     0.0000  43.974  14.826  ?       ?       0.000000       14.82610 
1 1 1 -3  13 21 o 119.806  13.207  130.420    27.169  130.420    27.169  0.0000     0.0000  119.806 13.207  ?       ?       0.000000       13.20733 
1 1 1 -3  13 22 o 35.879   13.682  8.3632     11.903  8.3632     11.903  0.0000     0.0000  35.879  13.682  ?       ?       0.000000       13.68181 
1 1 1 -3  13 23 o 135.745  10.419  164.967    24.507  150.932    27.973  211.315    50.833  129.074 12.571  149.178 20.021  -20.10359      23.64046 
1 1 1 -3  13 24 o 345.685  13.017  1076.95    78.572  1033.95    90.593  1207.48    157.847 336.604 15.414  349.366 26.063  -12.76175      30.28012 
1 1 1 -3  13 25 o 86.466   14.332  69.495     20.881  51.678     25.168  108.842    37.401  72.944  19.417  105.641 21.016  -32.69742      28.61262 
1 1 1 -3  13 26 f 47.496   16.428  19.299     16.585  24.378     19.859  7.5905     30.154  52.601  17.986  49.214  20.688  3.387630       27.41318 
1 1 1 -3  13 27 o 104.864  13.726  101.373    24.530  107.081    29.831  89.454     43.106  106.602 16.564  93.097  25.683  13.50533       30.56094 
1 1 1 -3  13 28 o 196.702  12.319  350.605    42.096  295.753    51.282  463.926    73.710  177.888 16.706  220.753 19.317  -42.86516      25.53927 
1 1 1 -3  13 29 o 68.453   16.094  44.991     18.912  43.508     22.569  48.487     34.653  66.801  18.641  70.519  23.761  -3.718132      30.20042 
1 1 1 -3  13 30 o 80.369   15.360  61.355     20.770  68.826     24.989  44.663     37.351  84.313  17.545  68.709  24.579  15.60466       30.19860 
1 1 1 -3  13 31 o 73.019   16.171  51.394     20.074  55.835     24.137  41.432     36.150  75.307  18.492  66.613  24.136  8.693794       30.40532 
1 1 1 -3  13 32 o 84.494   18.364  70.184     26.319  49.493     35.969  94.029     38.614  70.498  24.203  95.242  23.390  -24.74457      33.65849 
1 1 1 -3  13 33 o 107.785  13.603  108.188    25.031  92.744     30.268  141.599    44.519  97.183  18.513  117.850 22.455  -20.66697      29.10255 
1 1 1 -3  13 34 o 73.890   15.917  52.940     19.930  50.003     23.846  59.746     36.299  70.673  18.940  75.526  24.265  -4.852951      30.78189 
1 1 1 -3  13 35 o 145.533  16.285  202.199    40.672  216.779    56.921  186.990    58.137  144.700 23.322  131.515 26.237  13.18452       35.10361 
1 1 1 -3  13 36 o 107.309  18.748  114.371    33.850  92.044     49.535  133.930    46.363  89.518  28.303  111.848 24.425  -22.32984      37.38482 
1 1 1 -3  13 37 o 161.191  13.373  242.283    37.298  203.136    67.352  259.599    44.794  131.852 29.938  164.903 15.748  -33.05138      33.82782 
1 1 1 -3  13 38 o 129.273  13.457  156.857    29.930  181.305    54.576  146.342    35.793  128.919 25.148  122.188 17.257  6.730095       30.49956 
1 1 1 -3  13 39 o 46.790   16.938  19.147     17.798  33.013     34.393  14.075     20.800  60.011  23.163  45.036  17.826  14.97507       29.22831 
1 1 1 -3  13 40 o 49.781   16.806  23.509     17.337  23.412     20.694  23.736     31.754  50.631  18.274  54.688  21.901  -4.056328      28.52365 
1 1 1 -3  13 41 o 83.659   15.375  68.666     21.632  61.297     26.087  84.885     38.703  76.541  19.472  86.462  24.512  -9.921219      31.30491 
1 1 1 -3  13 42 o 76.918   16.352  59.326     21.286  59.852     25.708  58.181     37.958  75.422  19.408  71.665  24.849  3.756348       31.53015 
1 1 1 -3  13 43 o 42.687   15.643  15.677     15.248  3.7836     19.153  36.262     25.198  37.998  16.250  59.211  20.260  -21.21270      25.97150 
1 1 1 -3  13 44 o 223.653  13.803  478.112    53.640  386.099    91.989  525.517    66.028  172.891 31.638  230.265 16.532  -57.37413      35.69701 
1 1 1 -3  13 45 o 45.127   17.183  17.297     18.757  1.4309     31.820  25.746     23.220  44.933  20.027  51.887  19.253  -6.953739      27.78063 
1 1 1 -3  13 46 o 39.806   16.074  10.316     17.260  33.475     27.114  -5.4628    22.380  56.809  20.854  36.274  16.427  20.53461       26.54675 
1 1 1 -3  13 47 o 57.318   16.404  34.135     17.250  32.329     23.818  36.128     25.018  55.508  19.652  57.942  20.169  -2.433701      28.15953 
1 1 1 -3  13 48 o 31.010   13.596  -0.3084    14.100  -8.7115    19.265  9.3850     20.691  32.271  14.850  41.050  17.190  -8.779289      22.71616 
1 1 1 -3  14 1  o 39.519   13.540  13.257     11.254  10.001     12.997  23.015     22.501  37.894  14.333  52.490  19.038  -14.59665      23.83043 
1 1 1 -3  14 2  o 100.649  10.969  91.898     18.965  81.742     22.106  120.215    36.914  93.789  13.921  111.150 19.743  -17.36164      24.15802 
1 1 1 -3  14 3  o 137.671  10.469  170.601    24.977  171.690    29.084  167.540    48.754  137.359 12.255  129.964 22.287  7.395370       25.43373 
1 1 1 -3  14 4  o 116.599  10.802  122.879    21.742  128.355    25.275  107.292    42.638  118.567 12.392  102.325 24.237  16.24249       27.22132 
1 1 1 -3  14 5  o 169.591  10.718  258.806    31.574  242.468    36.527  307.091    62.794  163.026 12.938  178.081 20.573  -15.05582      24.30369 
1 1 1 -3  14 6  o 138.857  11.058  174.185    26.587  170.722    30.754  184.433    52.901  136.568 13.056  135.786 23.142  0.7821808      26.57106 
1 1 1 -3  14 7  o 103.128  15.536  99.941     27.107  99.941     27.107  0.0000     0.0000  103.128 15.536  ?       ?       0.000000       15.53557 
1 1 1 -3  14 8  o 59.740   16.806  34.278     18.267  34.278     18.267  0.0000     0.0000  59.740  16.806  ?       ?       0.000000       16.80624 
1 1 1 -3  14 9  o 74.724   16.573  53.759     21.057  53.759     21.057  0.0000     0.0000  74.724  16.573  ?       ?       0.000000       16.57314 
1 1 1 -3  14 10 o 100.095  15.724  94.569     26.575  94.569     26.575  0.0000     0.0000  100.095 15.724  ?       ?       0.000000       15.72363 
1 1 1 -3  14 11 o 71.383   16.680  49.263     20.415  49.263     20.415  0.0000     0.0000  71.383  16.680  ?       ?       0.000000       16.67978 
1 1 1 -3  14 12 o 120.281  15.072  135.253    30.958  135.253    30.958  0.0000     0.0000  120.281 15.072  ?       ?       0.000000       15.07163 
1 1 1 -3  14 13 f 102.217  15.489  98.598     26.779  98.598     26.779  0.0000     0.0000  102.217 15.489  ?       ?       0.000000       15.48936 
1 1 1 -3  14 14 o 63.001   17.046  38.580     19.207  68.119     23.288  -24.2665   33.968  84.189  16.432  41.196  19.218  42.99329       25.28494 
1 1 1 -3  14 15 o 160.697  12.758  236.584    35.503  232.590    43.523  244.528    61.379  157.197 16.083  155.385 23.345  1.811737       28.34856 
1 1 1 -3  14 16 o 148.938  12.758  203.586    32.857  222.041    40.417  167.618    56.424  154.038 15.226  125.406 26.593  28.63205       30.64357 
1 1 1 -3  14 17 o 70.821   13.070  47.143     15.566  42.270     17.619  64.475     33.229  66.164  15.519  78.983  22.815  -12.81934      27.59338 
1 1 1 -3  14 18 o 142.675  13.003  187.694    32.037  187.694    32.037  0.0000     0.0000  142.675 13.003  ?       ?       0.000000       13.00259 
1 1 1 -3  14 19 o 123.164  12.963  140.320    27.459  140.320    27.459  0.0000     0.0000  123.164 12.963  ?       ?       0.000000       12.96301 
1 1 1 -3  14 20 o 59.391   15.922  34.332     16.849  34.332     16.849  0.0000     0.0000  59.391  15.922  ?       ?       0.000000       15.92224 
1 1 1 -3  14 21 o 152.286  10.903  210.984    28.800  184.084    33.026  296.370    58.840  140.617 13.622  173.144 19.820  -32.52695      24.04952 
1 1 1 -3  14 22 o 107.234  11.784  105.983    21.700  105.344    24.776  108.087    44.965  105.947 13.715  99.292  25.727  6.654785       29.15422 
1 1 1 -3  14 23 o 147.453  10.983  198.436    28.073  186.807    32.210  235.193    57.263  141.715 13.167  151.120 22.378  -9.404694      25.96442 
1 1 1 -3  14 24 o 68.128   13.813  44.495     15.869  37.766     17.810  70.418     34.957  61.863  16.271  80.917  23.409  -19.05445      28.50804 
1 1 1 -3  14 25 o 149.122  10.970  203.436    28.363  182.873    32.479  269.497    58.214  139.739 13.479  162.636 20.990  -22.89725      24.94463 
1 1 1 -3  14 26 o 80.217   12.673  60.682     17.161  54.134     19.360  84.685     37.070  74.425  15.406  88.120  23.614  -13.69537      28.19509 
1 1 1 -3  14 27 o 118.631  11.208  129.740    22.941  115.949    26.142  175.920    47.839  110.590 13.842  129.641 21.915  -19.05174      25.91998 
1 1 1 -3  14 28 o 127.262  13.342  152.650    29.207  138.538    35.328  183.128    51.917  118.037 17.685  130.126 23.724  -12.08875      29.59040 
1 1 1 -3  14 29 o 73.644   16.075  53.961     20.091  45.102     23.964  74.915     36.856  65.833  19.479  81.615  24.159  -15.78178      31.03362 
1 1 1 -3  14 30 o 182.273  13.164  312.705    41.615  277.826    50.521  386.317    73.394  167.168 17.571  190.289 22.527  -23.12129      28.56929 
1 1 1 -3  14 31 o 78.840   15.834  61.818     21.040  57.340     25.028  72.607     38.848  73.877  19.219  79.073  25.071  -5.196068      31.59048 
1 1 1 -3  14 32 o 56.911   16.452  32.753     17.272  31.966     20.111  34.965     33.716  56.114  18.065  59.618  22.956  -3.503956      29.21149 
1 1 1 -3  14 33 o 89.192   15.403  78.700     23.121  63.248     28.061  111.371    40.802  76.327  20.584  98.869  23.900  -22.54189      31.54200 
1 1 1 -3  14 34 o 27.242   12.407  -6.1040    12.993  0.5017     15.882  -19.4703   22.592  33.466  14.557  32.235  15.236  1.230408       21.07212 
1 1 1 -3  14 35 o 61.040   17.113  38.666     18.975  22.079     22.674  77.440     34.666  49.524  18.883  81.826  23.198  -32.30240      29.91208 
1 1 1 -3  14 36 o 72.940   16.389  54.589     20.365  64.577     24.221  30.498     37.617  78.301  18.081  57.362  23.517  20.93818       29.66472 
1 1 1 -3  14 37 o 64.817   17.283  44.213     19.918  43.317     24.033  46.178     35.594  62.952  19.687  63.624  23.792  -0.6726341     30.88111 
1 1 1 -3  14 38 o 52.276   18.896  27.698     22.138  1.7524     29.926  59.061     32.901  43.414  19.380  70.402  23.137  -26.98846      30.18151 
1 1 1 -3  14 39 f 52.816   17.421  29.111     18.647  24.521     32.124  31.443     22.899  52.617  21.671  54.529  19.273  -1.911091      29.00127 
1 1 1 -3  14 40 o 65.614   17.722  46.588     20.781  21.069     36.510  58.817     25.275  52.158  22.374  72.444  19.535  -20.28560      29.70183 
1 1 1 -3  14 41 o 63.890   16.360  43.316     18.330  34.108     26.432  51.848     25.442  55.686  20.566  67.132  20.118  -11.44616      28.76968 
1 1 1 -3  14 42 o 17.735   8.8889  -31.4062   11.810  -10.7192   17.704  -47.9944   15.853  29.839  13.905  19.428  9.8092  10.41110       17.01638 
1 1 1 -3  15 1  f 83.784   13.467  67.405     19.034  60.225     22.925  83.336     34.150  76.824  17.484  87.022  22.356  -10.19784      28.38084 
1 1 1 -3  15 2  o 85.136   13.668  69.726     19.630  51.734     23.966  106.409    34.219  70.259  19.054  100.681 20.168  -30.42212      27.74583 
1 1 1 -3  15 3  o 125.037  12.287  146.628    26.478  131.334    32.217  178.460    46.479  115.228 16.482  129.956 21.215  -14.72801      26.86548 
1 1 1 -3  15 4  o 38.999   14.234  12.652     12.605  10.469     14.095  21.367     28.170  38.242  14.810  51.792  20.667  -13.54967      25.42557 
1 1 1 -3  15 5  o 44.381   14.482  18.602     12.899  20.539     14.585  11.650     27.636  46.497  15.411  47.112  19.805  -0.6150780     25.09429 
1 1 1 -3  15 6  o 65.752   14.234  42.403     15.868  38.735     18.203  54.013     32.388  61.841  16.537  69.916  22.955  -8.074963      28.29129 
1 1 1 -3  15 7  o 107.621  11.565  108.113    21.391  99.851     24.721  132.732    42.672  101.694 14.319  109.966 22.965  -8.272163      27.06348 
1 1 1 -3  15 8  o 144.355  12.245  195.215    30.573  172.186    37.006  244.733    54.264  132.074 16.400  152.557 20.923  -20.48306      26.58405 
1 1 1 -3  15 9  o 84.446   12.555  67.784     17.949  62.246     20.515  85.863     37.063  79.315  15.368  86.961  23.742  -7.646278      28.28204 
1 1 1 -3  15 10 o 184.137  10.707  312.340    34.277  300.842    39.521  347.249    68.863  178.785 12.743  179.404 22.477  -0.6189728     25.83784 
1 1 1 -3  15 11 o 62.100   14.361  38.097     15.261  34.781     17.221  50.222     32.934  58.614  16.257  67.388  23.159  -8.774433      28.29533 
1 1 1 -3  15 12 o 114.307  11.295  121.794    22.249  113.385    25.562  148.071    45.186  108.622 13.788  115.580 23.197  -6.957855      26.98516 
1 1 1 -3  15 13 o 110.556  12.057  115.069    22.897  99.994     26.272  162.688    46.695  100.743 15.427  121.537 22.843  -20.79427      27.56389 
1 1 1 -3  15 14 o 153.570  11.140  219.054    29.669  215.101    34.113  231.330    60.113  150.457 13.116  142.181 25.133  8.276276       28.34981 
1 1 1 -3  15 15 o 70.037   14.449  48.478     17.084  46.507     19.132  56.237     37.950  67.524  16.392  69.688  24.791  -2.164879      29.72041 
1 1 1 -3  15 16 f 59.505   15.167  35.642     15.805  28.332     18.331  56.815     31.198  53.000  17.263  70.891  22.467  -17.89084      28.33326 
1 1 1 -3  15 17 o 56.786   15.460  32.629     15.741  37.108     18.213  19.402     31.297  60.013  16.745  51.370  21.295  8.643631       27.08992 
1 1 1 -3  15 18 o 43.268   14.686  17.626     13.239  13.217     14.931  33.832     28.629  40.439  15.347  57.459  21.367  -17.02011      26.30704 
1 1 1 -3  15 19 o 57.412   15.742  33.624     16.253  36.179     18.866  26.269     32.007  58.954  17.238  54.322  21.906  4.631863       27.87501 
1 1 1 -3  15 20 o 92.175   17.123  87.325     26.544  75.848     35.032  102.796    40.676  80.232  23.499  92.646  24.695  -12.41374      34.08885 
1 1 1 -3  15 21 o 38.205   15.371  9.4386     15.720  1.8296     18.965  26.140     28.098  36.506  15.893  52.953  20.795  -16.44759      26.17285 
1 1 1 -3  15 22 o 138.760  15.932  193.178    37.901  180.330    51.538  208.310    55.933  123.553 24.752  132.563 25.084  -9.009979      35.24000 
1 1 1 -3  15 23 o 42.024   17.151  11.798     19.893  11.798     19.893  0.0000     0.0000  42.024  17.151  ?       ?       0.000000       17.15080 
1 1 1 -3  15 24 o 62.220   21.097  43.610     27.321  43.610     27.321  0.0000     0.0000  62.220  21.097  ?       ?       0.000000       21.09711 
1 1 1 -3  15 25 o 51.313   19.269  26.122     23.395  26.122     23.395  0.0000     0.0000  51.313  19.269  ?       ?       0.000000       19.26902 
1 1 1 -3  15 26 o 39.943   15.694  12.337     16.013  12.337     16.013  0.0000     0.0000  39.943  15.694  ?       ?       0.000000       15.69440 
1 1 1 -3  15 27 o 27.519   12.146  -1.3303    11.424  -7.2041    12.542  27.280     27.679  25.925  11.949  52.470  20.628  -26.54479      23.83923 
1 1 1 -3  15 28 o 61.909   15.753  40.166     17.071  36.653     19.574  51.328     34.891  58.109  17.699  64.495  23.659  -6.386757      29.54653 
1 1 1 -3  15 29 o 26.504   11.845  -2.5795    11.211  -5.1416    12.251  10.619     27.806  26.442  12.044  44.725  19.357  -18.28289      22.79823 
1 1 1 -3  15 30 o 81.965   13.690  67.309     18.901  63.539     21.398  80.695     40.319  77.539  16.321  76.886  25.630  0.6536942      30.38506 
1 1 1 -3  15 31 o 49.978   15.393  26.187     14.755  20.502     16.493  48.982     33.026  45.349  16.321  62.485  23.004  -17.13587      28.20527 
1 1 1 -3  15 32 o 127.291  17.435  174.261    37.733  124.342    52.279  228.544    54.516  89.152  29.159  135.727 23.875  -46.57500      37.68655 
1 1 1 -3  15 33 o 91.032   19.133  94.136     29.446  81.740     41.520  106.679    41.766  74.972  25.989  87.747  25.646  -12.77525      36.51236 
1 1 1 -3  16 1  o 113.946  11.892  126.355    23.311  114.298    27.383  158.089    44.424  104.863 15.416  112.871 23.313  -8.007599      27.94879 
1 1 1 -3  16 2  o 74.277   13.771  56.108     17.202  48.540     19.772  79.675     34.890  66.503  16.971  78.010  23.601  -11.50655      29.06894 
1 1 1 -3  16 3  o 159.110  13.427  252.057    36.955  211.035    45.759  328.990    62.666  136.417 19.788  165.797 22.204  -29.38039      29.74248 
1 1 1 -3  16 4  o 50.888   17.329  28.066     18.433  15.223     22.318  55.637     32.699  43.728  18.043  65.442  23.041  -21.71416      29.26470 
1 1 1 -3  16 5  o 147.948  13.456  218.205    34.380  171.662    42.328  308.440    58.937  121.726 20.653  162.115 21.340  -40.38995      29.69750 
1 1 1 -3  16 6  o 65.679   17.142  47.595     19.868  54.154     24.542  35.121     33.846  67.930  19.603  55.321  22.450  12.60871       29.80395 
1 1 1 -3  16 7  o 142.823  13.419  203.425    33.073  185.265    41.114  236.721    55.672  129.087 18.792  137.276 24.106  -8.188416      30.56512 
1 1 1 -3  16 8  o 62.331   18.679  44.708     21.933  44.708     21.933  0.0000     0.0000  62.331  18.679  ?       ?       0.000000       18.67947 
1 1 1 -3  16 9  o 66.477   16.832  48.481     19.556  48.481     19.556  0.0000     0.0000  66.477  16.832  ?       ?       0.000000       16.83164 
1 1 1 -3  16 10 o 107.565  12.158  113.440    22.434  122.257    25.848  86.523     45.164  110.097 13.746  75.266  27.016  34.83101       30.31221 
1 1 1 -3  16 11 f 50.109   17.373  27.277     18.554  31.377     22.114  17.525     34.103  52.795  18.909  48.400  21.185  4.395214       28.39655 
1 1 1 -3  16 12 o 51.271   16.995  28.798     17.737  16.882     20.910  59.368     33.493  43.841  17.696  66.626  23.328  -22.78447      29.28057 
1 1 1 -3  16 13 o 85.896   15.641  78.066     22.594  82.220     27.791  69.967     38.805  84.354  19.288  69.811  25.044  14.54275       31.61082 
1 1 1 -3  16 14 o 68.628   17.723  53.219     21.386  59.130     26.136  41.240     37.204  69.819  20.253  57.190  23.411  12.62907       30.95564 
1 1 1 -3  16 15 o 121.770  14.466  152.550    30.156  128.467    37.105  199.408    51.756  103.110 21.314  122.939 24.963  -19.82923      32.82394 
1 1 1 -3  16 16 o 89.664   15.715  85.599     23.707  81.602     29.067  93.541     40.971  82.338  20.338  79.760  25.796  2.578262       32.84929 
1 1 1 -3  16 17 o 44.913   16.457  20.840     16.876  29.920     20.221  0.0000     30.634  51.403  18.117  41.055  18.831  10.34778       26.13075 
1 1 1 -3  16 18 o 39.037   14.261  14.577     12.658  23.590     14.092  -23.0681   28.801  46.997  15.122  34.239  16.461  12.75874       22.35233 
1 1 1 -3  16 19 o 76.627   13.813  60.771     17.801  61.864     20.188  56.951     37.737  75.516  15.818  62.568  24.231  12.94779       28.93711 
1 1 1 -3  16 20 o 74.432   13.639  57.340     17.073  46.513     19.364  95.133     36.180  63.942  17.037  83.121  23.746  -19.17956      29.22548 
1 1 1 -3  16 21 o 122.002  11.879  147.464    24.984  138.128    28.755  176.221    50.466  114.606 14.709  109.948 26.581  4.658134       30.37910 
1 1 1 -2  0  1  o 1884.72  105.538 32391.00   3448.20 32391.00   3448.20 32391.00   3448.20 1884.72 105.538 1884.72 105.538 0.000000       0.000000 
1 1 1 -2  0  2  o 301.561  24.197  810.606    125.521 810.606    125.521 810.606    125.521 301.561 24.197  301.561 24.197  0.000000       0.000000 
1 1 1 -2  0  3  o 806.368  46.804  5773.27    653.910 5773.27    653.910 5773.27    653.910 806.368 46.804  806.368 46.804  0.000000       0.000000 
1 1 1 -2  0  4  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -2  0  5  o 521.542  33.136  2411.68    298.958 2411.68    298.958 2411.68    298.958 521.542 33.136  521.542 33.136  -0.000000      0.000000 
1 1 1 -2  0  6  o 200.968  21.294  364.837    72.803  364.837    72.803  364.837    72.803  200.968 21.294  200.968 21.294  0.000000       0.000000 
1 1 1 -2  0  7  o 818.136  47.405  5945.28    671.997 5945.28    671.997 5945.28    671.997 818.136 47.405  818.136 47.405  0.000000       0.000000 
1 1 1 -2  0  8  o 170.780  14.214  260.048    41.710  260.048    41.710  260.048    41.710  170.780 14.214  170.780 14.214  0.000000       0.000000 
1 1 1 -2  0  9  o 415.091  19.820  1516.51    142.903 1516.51    142.903 1516.51    142.903 415.091 19.820  415.091 19.820  -0.000000      0.000000 
1 1 1 -2  0  10 o 373.875  18.613  1230.86    120.823 1230.86    120.823 1230.86    120.823 373.875 18.613  373.875 18.613  0.000000       0.000000 
1 1 1 -2  0  11 f 149.240  13.951  199.627    35.625  199.627    35.625  199.627    35.625  149.240 13.951  149.240 13.951  0.000000       0.000000 
1 1 1 -2  0  12 o 367.514  18.579  1189.65    118.528 1189.65    118.528 1189.65    118.528 367.514 18.579  367.514 18.579  0.000000       0.000000 
1 1 1 -2  0  13 o 735.606  30.263  4763.97    387.212 4763.97    387.212 4763.97    387.212 735.606 30.263  735.606 30.263  -0.000000      0.000000 
1 1 1 -2  0  14 o 714.785  29.558  4498.02    367.469 4498.02    367.469 4498.02    367.469 714.785 29.558  714.785 29.558  0.000000       0.000000 
1 1 1 -2  0  15 o 1433.09  55.607  18226.01   1386.68 18226.01   1386.68 18226.01   1386.68 1433.09 55.607  1433.09 55.607  -0.000000      0.000000 
1 1 1 -2  0  16 o 314.118  17.085  870.054    93.071  870.054    93.071  870.054    93.071  314.118 17.085  314.118 17.085  -0.000000      0.000000 
1 1 1 -2  0  17 o 989.133  39.231  8636.72    675.139 8636.72    675.139 8636.72    675.139 989.133 39.231  989.133 39.231  -0.000000      0.000000 
1 1 1 -2  0  18 o 170.643  20.956  265.966    59.916  265.966    59.916  265.966    59.916  170.643 20.956  170.643 20.956  0.000000       0.000000 
1 1 1 -2  0  19 o 539.079  33.990  2580.70    317.025 2580.70    317.025 2580.70    317.025 539.079 33.990  539.079 33.990  -0.000000      0.000000 
1 1 1 -2  0  20 o 1903.86  108.989 33797.83   3595.93 33797.83   3595.93 33797.83   3595.93 1903.86 108.989 1903.86 108.989 -0.000000      0.000000 
1 1 1 -2  0  21 o 70.431   23.060  55.331     25.134  55.331     25.134  55.331     25.134  70.431  23.060  70.431  23.060  0.000000       0.000000 
1 1 1 -2  0  22 o 1680.51  65.530  25383.27   1916.20 25383.27   1916.20 25383.27   1916.20 1680.51 65.530  1680.51 65.530  0.000000       0.000000 
1 1 1 -2  0  23 o 70.729   15.590  49.583     16.844  49.583     16.844  49.583     16.844  70.729  15.590  70.729  15.590  -0.000000      0.000000 
1 1 1 -2  0  24 o 535.890  23.583  2531.69    219.692 2531.69    219.692 2531.69    219.692 535.890 23.583  535.890 23.583  -0.000000      0.000000 
1 1 1 -2  0  25 o 345.071  17.962  1050.68    107.558 1050.68    107.558 1050.68    107.558 345.071 17.962  345.071 17.962  0.000000       0.000000 
1 1 1 -2  0  26 f 235.023  15.369  489.404    62.451  489.404    62.451  489.404    62.451  235.023 15.369  235.023 15.369  0.000000       0.000000 
1 1 1 -2  0  27 o 491.522  22.304  2132.70    190.523 2132.70    190.523 2132.70    190.523 491.522 22.304  491.522 22.304  0.000000       0.000000 
1 1 1 -2  0  28 o 614.267  26.264  3337.55    280.524 3337.55    280.524 3337.55    280.524 614.267 26.264  614.267 26.264  -0.000000      0.000000 
1 1 1 -2  0  29 o 86.636   14.948  71.251     20.593  71.251     20.593  71.251     20.593  86.636  14.948  86.636  14.948  0.000000       0.000000 
1 1 1 -2  0  30 o 925.161  37.394  7648.59    601.813 7648.59    601.813 7648.59    601.813 925.161 37.394  925.161 37.394  0.000000       0.000000 
1 1 1 -2  0  31 o 130.553  21.570  161.304    45.133  161.304    45.133  161.304    45.133  130.553 21.570  130.553 21.570  -0.000000      0.000000 
1 1 1 -2  0  32 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -2  0  33 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -2  0  34 o 47.603   21.469  28.815     19.147  28.815     19.147  28.815     19.147  47.603  21.469  47.603  21.469  -0.000000      0.000000 
1 1 1 -2  0  35 o 474.166  31.363  2015.93    257.057 2015.93    257.057 2015.93    257.057 474.166 31.363  474.166 31.363  -0.000000      0.000000 
1 1 1 -2  0  36 o 744.200  44.594  5018.11    574.709 5018.11    574.709 5018.11    574.709 744.200 44.594  744.200 44.594  -0.000000      0.000000 
1 1 1 -2  0  37 o 183.977  21.313  308.834    66.072  308.834    66.072  308.834    66.072  183.977 21.313  183.977 21.313  -0.000000      0.000000 
1 1 1 -2  0  38 o 1026.46  40.802  9422.72    728.648 9422.72    728.648 9422.72    728.648 1026.46 40.802  1026.46 40.802  -0.000000      0.000000 
1 1 1 -2  0  39 o 876.915  35.508  6840.89    541.654 6840.89    541.654 6840.89    541.654 876.915 35.508  876.915 35.508  0.000000       0.000000 
1 1 1 -2  0  40 o 448.634  20.791  1776.76    162.071 1776.76    162.071 1776.76    162.071 448.634 20.791  448.634 20.791  -0.000000      0.000000 
1 1 1 -2  0  41 o 192.425  21.836  337.135    70.929  337.135    70.929  337.135    70.929  192.425 21.836  192.425 21.836  -0.000000      0.000000 
1 1 1 -2  0  42 o 139.788  21.656  183.185    49.080  183.185    49.080  183.185    49.080  139.788 21.656  139.788 21.656  -0.000000      0.000000 
1 1 1 -2  0  43 o 763.159  45.356  5252.40    599.502 5252.40    599.502 5252.40    599.502 763.159 45.356  763.159 45.356  -0.000000      0.000000 
1 1 1 -2  0  44 o 833.546  49.107  6293.03    709.047 6293.03    709.047 6293.03    709.047 833.546 49.107  833.546 49.107  0.000000       0.000000 
1 1 1 -2  0  45 o 506.725  22.133  2267.40    194.975 2267.40    194.975 2267.40    194.975 506.725 22.133  506.725 22.133  0.000000       0.000000 
1 1 1 -2  0  46 o 114.192  15.566  120.335    29.404  120.335    29.404  120.335    29.404  114.192 15.566  114.192 15.566  0.000000       0.000000 
1 1 1 -2  0  47 f 567.389  23.797  2845.77    234.816 2845.77    234.816 2845.77    234.816 567.389 23.797  567.389 23.797  -0.000000      0.000000 
1 1 1 -2  0  48 o 832.244  33.175  6165.42    480.343 6165.42    480.343 6165.42    480.343 832.244 33.175  832.244 33.175  0.000000       0.000000 
1 1 1 -2  0  49 o 267.929  15.905  635.558    73.808  635.558    73.808  635.558    73.808  267.929 15.905  267.929 15.905  0.000000       0.000000 
1 1 1 -2  0  50 o 81.360   17.299  65.238     21.603  65.238     21.603  65.238     21.603  81.360  17.299  81.360  17.299  0.000000       0.000000 
1 1 1 -2  0  51 o 519.044  23.017  2385.98    207.667 2385.98    207.667 2385.98    207.667 519.044 23.017  519.044 23.017  -0.000000      0.000000 
1 1 1 -2  0  52 f 60.198   23.850  43.915     24.157  43.915     24.157  43.915     24.157  60.198  23.850  60.198  23.850  0.000000       0.000000 
1 1 1 -2  0  53 o 392.916  28.322  1388.73    191.984 1388.73    191.984 1388.73    191.984 392.916 28.322  392.916 28.322  -0.000000      0.000000 
1 1 1 -2  0  54 o 269.586  24.171  657.054    111.674 657.054    111.674 657.054    111.674 269.586 24.171  269.586 24.171  -0.000000      0.000000 
1 1 1 -2  0  55 o 299.306  25.656  810.498    131.814 810.498    131.814 810.498    131.814 299.306 25.656  299.306 25.656  0.000000       0.000000 
1 1 1 -2  0  56 o ?        ?       -75.9307   10.024  -75.9307   10.024  -75.9307   10.024  ?       ?       ?       ?       -0.000000      0.000000 
1 1 1 -2  0  57 o 675.365  28.125  4090.70    330.351 4090.70    330.351 4090.70    330.351 675.365 28.125  675.365 28.125  -0.000000      0.000000 
1 1 1 -2  0  58 o 202.589  16.639  368.565    57.945  368.565    57.945  368.565    57.945  202.589 16.639  202.589 16.639  0.000000       0.000000 
1 1 1 -2  0  59 o 446.461  21.319  1780.46    165.333 1780.46    165.333 1780.46    165.333 446.461 21.319  446.461 21.319  0.000000       0.000000 
1 1 1 -2  0  60 o 77.134   26.594  68.850     32.249  68.850     32.249  68.850     32.249  77.134  26.594  77.134  26.594  0.000000       0.000000 
1 1 1 -2  0  61 o 484.830  22.676  2116.35    191.011 2116.35    191.011 2116.35    191.011 484.830 22.676  484.830 22.676  -0.000000      0.000000 
1 1 1 -2  0  62 o 142.569  19.059  190.011    45.068  190.011    45.068  190.011    45.068  142.569 19.059  142.569 19.059  0.000000       0.000000 
1 1 1 -2  0  63 o 121.021  20.185  140.913    39.087  140.913    39.087  140.913    39.087  121.021 20.185  121.021 20.185  0.000000       0.000000 
1 1 1 -2  0  64 o 143.103  30.102  210.195    66.219  210.195    66.219  210.195    66.219  143.103 30.102  143.103 30.102  0.000000       0.000000 
1 1 1 -2  0  65 o 228.844  25.438  497.835    98.432  497.835    98.432  497.835    98.432  228.844 25.438  228.844 25.438  0.000000       0.000000 
1 1 1 -2  0  66 o 69.486   35.218  69.862     53.279  69.862     53.279  69.862     53.279  69.486  35.218  69.486  35.218  0.000000       0.000000 
1 1 1 -2  0  67 o 33.038   21.235  2.8438     28.005  2.8438     28.005  2.8438     28.005  33.038  21.235  33.038  21.235  -0.000000      0.000000 
1 1 1 -2  0  68 o 201.114  17.163  373.859    59.259  373.859    59.259  373.859    59.259  201.114 17.163  201.114 17.163  0.000000       0.000000 
1 1 1 -2  0  69 o 87.551   29.490  93.213     40.294  93.213     40.294  93.213     40.294  87.551  29.490  87.551  29.490  0.000000       0.000000 
1 1 1 -2  0  70 o 385.937  20.757  1405.02    138.949 1405.02    138.949 1405.02    138.949 385.937 20.757  385.937 20.757  0.000000       0.000000 
1 1 1 -2  0  71 o 26.059   18.013  -18.3027   27.787  -18.3027   27.787  -18.3027   27.787  26.059  18.013  26.059  18.013  0.000000       0.000000 
1 1 1 -2  0  72 o 26.925   18.415  -13.1496   27.308  -13.1496   27.308  -13.1496   27.308  26.925  18.415  26.925  18.415  0.000000       0.000000 
1 1 1 -2  0  73 o 151.434  19.653  226.983    49.550  226.983    49.550  226.983    49.550  151.434 19.653  151.434 19.653  0.000000       0.000000 
1 1 1 -2  0  74 o 36.424   24.402  -2.4062    43.277  -2.4062    43.277  -2.4062    43.277  36.424  24.402  36.424  24.402  0.000000       0.000000 
1 1 1 -2  0  75 o 54.232   31.602  51.347     49.507  51.347     49.507  51.347     49.507  54.232  31.602  54.232  31.602  -0.000000      0.000000 
1 1 1 -2  0  76 o 19.970   14.557  -60.8052   29.910  -60.8052   29.910  -60.8052   29.910  19.970  14.557  19.970  14.557  0.000000       0.000000 
1 1 1 -2  0  77 o 104.860  23.911  125.171    38.149  125.171    38.149  125.171    38.149  104.860 23.911  104.860 23.911  0.000000       0.000000 
1 1 1 -2  1  1  o 1093.55  42.864  10565.83   818.461 10760.24   1157.48 10371.42   1157.48 1095.47 60.751  1074.88 61.934  20.58789       86.75603 
1 1 1 -2  1  2  o 401.546  14.932  1409.73    104.695 1370.97    128.217 1487.28    181.359 395.831 18.551  411.103 25.390  -15.27213      31.44498 
1 1 1 -2  1  3  o 514.916  14.255  2317.83    128.163 2113.02    181.249 2522.65    181.250 491.249 21.131  536.885 19.334  -45.63654      28.64131 
1 1 1 -2  1  4  o 1891.31  73.163  32326.75   2416.12 34710.71   3416.92 29942.81   3416.90 1927.18 101.905 1779.34 110.525 147.8351       150.3347 
1 1 1 -2  1  5  o 345.756  17.505  1048.47    105.336 906.839    148.953 1190.16    148.984 320.418 26.872  367.830 23.317  -47.41177      35.57808 
1 1 1 -2  1  6  f 656.935  27.362  3786.41    313.858 3666.52    443.857 3906.31    443.866 643.513 39.696  664.587 38.414  -21.07391      55.23996 
1 1 1 -2  1  7  o ?        ?       -2.5410    0.0958  -2.1367    0.1331  -2.9764    0.1381  ?       ?       ?       ?       0.000000       ?        
1 1 1 -2  1  8  o 255.264  15.620  571.930    69.286  560.602    97.980  583.261    97.990  251.980 22.506  257.117 22.040  -5.136780      31.50036 
1 1 1 -2  1  9  o 597.326  20.577  3123.95    214.615 3030.97    371.741 3170.43    262.843 585.454 36.548  601.339 25.033  -15.88483      44.29895 
1 1 1 -2  1  10 o 600.898  21.125  3162.03    221.645 3096.45    383.919 3194.82    271.451 591.566 37.360  603.556 25.758  -11.98932      45.37913 
1 1 1 -2  1  11 o 662.991  22.670  3851.27    262.440 3800.17    454.578 3876.81    321.415 654.942 39.941  664.600 27.698  -9.658569      48.60534 
1 1 1 -2  1  12 o 381.680  14.900  1273.84    99.297  1423.61    172.017 1199.00    121.603 402.203 24.613  369.640 18.904  32.56329       31.03468 
1 1 1 -2  1  13 o 845.934  27.129  6280.75    400.707 6487.49    694.068 6177.39    490.755 854.097 46.718  837.771 33.549  16.32617       57.51574 
1 1 1 -2  1  14 o 237.761  12.130  495.354    50.191  556.425    86.917  464.801    61.477  251.300 19.973  230.022 15.396  21.27771       25.21799 
1 1 1 -2  1  15 o 1063.64  42.051  10009.25   780.967 10227.49   1104.43 9791.00    1104.48 1066.59 59.541  1042.81 60.924  23.78259       85.18663 
1 1 1 -2  1  16 f 274.348  12.929  657.965    61.936  727.656    107.276 623.120    75.855  287.382 21.535  266.379 16.388  21.00311       27.06178 
1 1 1 -2  1  17 o 980.965  31.374  8468.38    537.388 7853.76    930.754 8775.72    658.174 934.454 57.321  996.818 37.815  -62.36377      68.67104 
1 1 1 -2  1  18 o 142.143  9.4513  177.308    23.324  166.574    32.975  188.053    32.994  137.312 13.947  146.078 13.074  -8.765900      19.11682 
1 1 1 -2  1  19 o 420.381  14.051  1545.56    103.136 1631.76    145.858 1459.36    145.854 431.604 19.354  407.569 20.562  24.03586       28.23784 
1 1 1 -2  1  20 o 375.859  15.163  1236.03    99.512  1274.44    172.369 1216.82    121.875 379.959 26.140  372.238 18.812  7.720886       32.20574 
1 1 1 -2  1  21 o 820.414  23.282  5908.61    333.511 5803.67    471.652 6013.56    471.660 810.771 33.317  825.464 32.724  -14.69305      46.69969 
1 1 1 -2  1  22 o 630.858  21.666  3492.61    238.661 3592.80    292.296 3292.23    413.379 639.079 26.194  607.741 39.164  31.33795       47.11633 
1 1 1 -2  1  23 o 342.819  14.490  1028.64    86.737  1048.98    106.222 987.962    150.255 345.530 17.665  334.053 25.964  11.47726       31.40389 
1 1 1 -2  1  24 o 430.766  16.473  1625.97    123.905 1602.49    151.744 1672.94    214.633 427.233 20.342  434.468 28.450  -7.235168      34.97393 
1 1 1 -2  1  25 o 673.261  19.804  3980.64    232.810 3971.48    329.242 3989.80    329.244 670.493 28.123  672.055 28.058  -1.562317      39.72557 
1 1 1 -2  1  26 f 922.979  25.837  7519.72    416.393 7039.18    588.858 8000.30    588.880 887.361 38.006  947.364 35.600  -60.00281      52.07465 
1 1 1 -2  1  27 o 393.985  19.189  1364.25    132.005 1364.25    132.005 0.0000     0.0000  393.985 19.189  ?       ?       0.000000       19.18875 
1 1 1 -2  1  28 f 615.495  26.300  3353.33    282.648 3353.33    282.648 0.0000     0.0000  615.495 26.300  ?       ?       0.000000       26.30016 
1 1 1 -2  1  29 o 976.658  39.544  8610.36    674.355 8610.36    674.355 0.0000     0.0000  976.658 39.544  ?       ?       0.000000       39.54422 
1 1 1 -2  1  30 o 266.414  15.966  625.512    73.926  542.498    104.546 708.528    104.548 246.371 24.633  282.609 21.344  -36.23805      32.59382 
1 1 1 -2  1  31 o 493.212  18.074  2140.70    155.647 2057.95    269.580 2182.08    190.631 478.367 32.467  497.017 21.966  -18.65015      39.19988 
1 1 1 -2  1  32 o 337.911  14.353  1002.02    84.687  946.433    146.676 1029.82    103.722 325.510 26.024  341.713 17.442  -16.20255      31.32865 
1 1 1 -2  1  33 o 169.408  11.416  252.500    33.570  210.045    58.127  273.748    41.122  152.576 22.494  176.168 13.471  -23.59239      26.21869 
1 1 1 -2  1  34 o 255.804  12.659  573.474    56.541  495.342    97.900  612.576    69.259  235.370 24.164  263.743 15.102  -28.37297      28.49556 
1 1 1 -2  1  35 o 257.648  12.621  581.659    56.777  636.747    98.435  554.194    69.503  267.874 21.219  250.721 15.959  17.15294       26.55085 
1 1 1 -2  1  36 o 467.516  15.081  1917.53    123.112 1835.63    174.099 1999.45    174.113 456.205 21.856  476.327 20.935  -20.12170      30.26465 
1 1 1 -2  1  37 o 224.732  12.219  443.516    47.768  393.352    82.718  468.614    58.510  209.971 22.935  230.743 14.598  -20.77119      27.18649 
1 1 1 -2  1  38 o 488.354  17.976  2094.15    153.279 2074.35    265.465 2104.04    187.735 482.137 31.711  488.808 21.996  -6.671051      38.59259 
1 1 1 -2  1  39 o 87.153   11.105  67.522     16.515  50.756     28.482  76.015     20.272  74.920  20.953  92.288  12.935  -17.36813      24.62427 
1 1 1 -2  1  40 o 181.391  14.419  290.037    45.292  309.467    63.959  270.493    64.146  186.625 19.936  174.057 21.568  12.56779       29.37080 
1 1 1 -2  1  41 o 640.164  26.874  3619.61    300.388 3378.91    424.770 3860.40    424.855 613.072 39.898  656.669 37.207  -43.59686      54.55439 
1 1 1 -2  1  42 o 372.872  18.035  1220.15    117.419 1102.93    165.690 1338.41    166.423 352.349 27.140  388.896 24.636  -36.54611      36.65410 
1 1 1 -2  1  43 o 153.612  10.610  207.361    28.284  192.114    34.234  240.152    50.205  147.521 13.438  164.492 17.762  -16.97130      22.27248 
1 1 1 -2  1  44 o 630.261  21.416  3494.17    235.682 3526.77    288.660 3428.98    408.189 632.029 26.157  618.314 37.992  13.71539       46.12601 
1 1 1 -2  1  45 f 112.432  10.999  111.637    21.316  115.072    26.167  104.864    36.750  113.853 13.421  107.484 20.326  6.368507       24.35738 
1 1 1 -2  1  46 o 675.674  22.209  4019.96    262.013 4011.04    320.911 4037.79    453.784 673.463 27.290  670.234 38.944  3.228638       47.55381 
1 1 1 -2  1  47 o 260.691  12.471  594.973    56.765  574.169    69.542  636.507    98.262  255.413 15.669  268.123 21.161  -12.70932      26.33071 
1 1 1 -2  1  48 o 79.955   11.818  57.159     16.002  41.793     18.378  105.325    32.538  67.684  15.833  108.113 17.860  -40.42924      23.86732 
1 1 1 -2  1  49 o 518.748  14.094  2358.41    127.661 1885.73    179.977 2837.05    181.108 462.526 22.285  568.218 18.254  -105.6917      28.80709 
1 1 1 -2  1  50 o 740.012  22.157  4828.71    286.297 4318.44    350.474 5852.17    496.355 697.453 28.779  808.620 35.155  -111.1669      45.43241 
1 1 1 -2  1  51 o 196.941  11.202  340.617    38.362  287.335    46.224  458.518    68.760  180.395 14.806  227.778 17.421  -47.38351      22.86245 
1 1 1 -2  1  52 o 288.139  12.193  727.284    61.343  647.386    74.406  896.829    108.388 271.091 15.787  318.535 19.583  -47.44458      25.15395 
1 1 1 -2  1  53 o 160.776  11.611  227.578    32.375  181.996    38.189  344.026    61.040  143.138 15.529  196.943 17.948  -53.80537      23.73329 
1 1 1 -2  1  54 o 157.708  11.478  219.029    31.391  179.855    41.659  270.497    47.750  141.980 17.152  174.750 15.821  -32.77043      23.33421 
1 1 1 -2  1  55 o 487.444  17.914  2093.13    152.465 1933.16    260.539 2176.44    188.020 462.705 32.454  496.008 21.710  -33.30350      39.04543 
1 1 1 -2  1  56 f 537.002  17.838  2542.27    167.258 1788.83    287.398 2928.16    205.678 441.733 37.620  575.433 20.471  -133.6992      42.82869 
1 1 1 -2  1  57 o 412.917  16.093  1501.63    116.028 1294.86    198.895 1608.30    142.854 378.129 30.381  426.549 19.180  -48.42026      35.92913 
1 1 1 -2  1  58 o 335.865  14.399  992.536    84.443  790.654    143.622 1099.20    104.394 295.321 28.195  352.926 16.941  -57.60522      32.89286 
1 1 1 -2  1  59 o 172.366  11.062  261.783    33.117  206.597    44.437  330.725    49.668  151.982 17.039  193.179 14.838  -41.19644      22.59394 
1 1 1 -2  1  60 o 151.870  11.266  203.688    29.661  203.763    39.921  203.596    44.318  151.167 15.337  150.714 17.146  0.4526672      23.00429 
1 1 1 -2  1  61 o 119.901  14.299  128.654    29.344  122.033    49.276  132.292    36.528  114.119 25.385  120.813 17.854  -6.693878      31.03472 
1 1 1 -2  1  62 o 166.197  12.818  245.022    36.910  245.131    62.307  244.963    45.814  163.650 22.392  165.438 16.062  -1.787354      27.55746 
1 1 1 -2  1  63 o 25.161   12.066  -21.7223   15.256  -11.0590   28.968  -25.8153   17.947  42.643  19.050  27.190  13.052  15.45296       23.09191 
1 1 1 -2  1  64 o 412.363  15.327  1512.57    110.358 1494.19    190.310 1521.88    135.459 401.064 27.339  411.684 18.844  -10.62015      33.20437 
1 1 1 -2  1  65 o 140.837  11.130  176.163    27.146  154.451    37.012  201.437    39.933  130.411 16.633  149.524 15.522  -19.11258      22.75042 
1 1 1 -2  1  66 o 63.999   18.692  37.817     22.194  42.111     24.841  20.822     49.416  67.422  19.799  66.359  27.051  1.062714       33.52260 
1 1 1 -2  1  67 o 56.690   20.869  24.393     27.182  10.083     32.804  55.749     48.558  52.995  21.871  79.573  28.071  -26.57836      35.58563 
1 1 1 -2  1  68 o 219.588  16.525  437.987    62.895  362.808    86.231  523.442    91.936  194.237 26.085  236.361 22.550  -42.12372      34.48074 
1 1 1 -2  1  69 o 211.801  12.617  401.957    46.448  306.095    77.917  454.801    57.850  177.538 25.897  224.249 14.859  -46.71162      29.85711 
1 1 1 -2  1  70 o 66.502   17.961  41.992     21.347  39.679     33.267  43.611     27.833  66.797  23.257  68.024  21.172  -1.227036      31.45089 
1 1 1 -2  1  71 o 179.045  16.158  294.888    49.971  313.648    72.587  277.988    68.896  179.682 23.716  168.798 24.056  10.88420       33.78057 
1 1 1 -2  1  72 o 99.736   25.611  101.436    44.832  101.436    44.832  0.0000     0.0000  99.736  25.611  ?       ?       0.000000       25.61096 
1 1 1 -2  1  73 o 46.797   17.777  15.725     20.047  9.0919     27.594  23.140     29.174  48.127  19.976  55.737  21.380  -7.610695      29.26054 
1 1 1 -2  1  74 o 72.679   17.780  51.314     22.377  36.613     28.858  73.484     35.438  62.827  21.673  85.007  23.219  -22.17971      31.76256 
1 1 1 -2  1  75 o 111.171  12.976  113.824    24.714  136.782    34.924  90.796     34.977  119.811 17.186  94.954  21.585  24.85686       27.59135 
1 1 1 -2  1  76 o 71.664   19.100  51.120     24.334  25.382     44.619  62.016     29.031  62.032  25.543  78.237  20.867  -16.20504      32.98348 
1 1 1 -2  1  77 o 49.495   18.530  19.862     21.603  20.617     41.719  19.585     25.252  58.719  24.484  51.044  19.807  7.675159       31.49235 
1 1 1 -2  2  1  o 501.905  18.241  2204.35    159.861 2225.37    195.781 2162.29    276.911 504.010 22.247  494.859 32.223  9.151001       39.15702 
1 1 1 -2  2  2  o 608.866  21.086  3246.51    224.175 3237.20    274.547 3265.13    388.309 607.519 25.882  607.622 36.773  -0.1034546     44.96816 
1 1 1 -2  2  3  o 377.436  12.590  1245.08    82.971  1156.90    101.607 1421.58    143.744 363.701 16.000  402.415 20.526  -38.71384      26.02502 
1 1 1 -2  2  4  o 417.946  13.604  1526.98    99.275  1440.02    121.597 1700.80    171.918 405.716 17.165  440.037 22.450  -34.32010      28.26015 
1 1 1 -2  2  5  o 290.775  2.9072  738.196    14.760  1497.03    20.988  -4.4724    20.763  414.082 2.9028  38.012  16.587  376.0695       16.83895 
1 1 1 -2  2  6  o 138.306  2.5560  167.008    6.1725  337.675    8.7766  -0.0281    8.6827  196.663 2.5559  25.897  11.005  170.7661       11.29747 
1 1 1 -2  2  7  o 640.996  38.497  3637.44    428.876 0.0000     0.0000  3637.44    428.876 ?       ?       640.996 38.497  0.000000       38.49741 
1 1 1 -2  2  8  f 878.028  50.423  6874.44    769.795 0.0000     0.0000  6874.44    769.795 ?       ?       878.028 50.423  0.000000       50.42309 
1 1 1 -2  2  9  o 210.391  6.7326  386.573    24.733  93.770     34.796  685.555    35.161  101.697 20.307  280.171 7.1875  -178.4737      21.54106 
1 1 1 -2  2  10 o 188.837  3.9689  311.355    13.086  629.706    18.553  -3.8121    18.460  268.552 3.9567  35.920  15.658  232.6315       16.15022 
1 1 1 -2  2  11 o 655.732  26.784  3774.01    306.663 3637.77    433.624 3910.33    433.750 640.752 38.943  664.745 37.523  -23.99292      54.07881 
1 1 1 -2  2  12 o 1054.85  43.003  9850.93    792.057 0.0000     0.0000  9850.93    792.057 ?       ?       1054.85 43.003  0.000000       43.00339 
1 1 1 -2  2  13 o 193.182  11.889  327.401    39.907  276.096    69.143  353.029    48.868  175.987 23.056  200.445 14.051  -24.45856      27.00022 
1 1 1 -2  2  14 f 990.491  30.828  8630.01    533.155 8779.92    923.493 8555.07    652.964 990.202 53.613  984.263 37.994  5.939514       65.71052 
1 1 1 -2  2  15 o 528.518  18.846  2445.83    173.921 2455.55    301.276 2440.98    212.995 526.987 32.906  527.602 23.121  -0.6145630     40.21678 
1 1 1 -2  2  16 o 485.853  15.608  2065.16    132.405 1901.76    187.240 2228.59    187.258 465.663 23.028  504.260 21.268  -38.59698      31.34689 
1 1 1 -2  2  17 o 443.265  14.216  1718.50    110.031 1823.43    155.608 1613.57    155.607 456.230 19.534  429.078 20.770  27.15234       28.51221 
1 1 1 -2  2  18 o 869.941  24.922  6645.93    378.560 6589.40    535.363 6702.47    535.367 863.642 35.502  871.108 35.198  -7.465881      49.99284 
1 1 1 -2  2  19 o 523.728  16.012  2400.83    146.428 2588.60    207.089 2213.09    207.072 543.223 21.833  502.076 23.621  41.14716       32.16545 
1 1 1 -2  2  20 o 335.746  12.390  985.765    72.636  949.147    102.719 1022.39    102.728 328.665 17.967  341.223 17.298  -12.55811      24.94113 
1 1 1 -2  2  21 o 719.237  24.195  4547.37    303.847 4602.48    372.121 4437.13    526.319 722.379 29.502  704.050 43.020  18.32904       52.16433 
1 1 1 -2  2  22 o 375.799  15.219  1236.62    99.863  1211.82    122.288 1286.28    173.019 371.232 18.929  381.292 26.146  -10.05981      32.27855 
1 1 1 -2  2  23 o 497.458  22.547  2176.20    195.844 2176.20    195.844 0.0000     0.0000  497.458 22.547  ?       ?       0.000000       22.54714 
1 1 1 -2  2  24 o 424.816  20.172  1585.69    149.626 1585.69    149.626 0.0000     0.0000  424.816 20.172  ?       ?       0.000000       20.17175 
1 1 1 -2  2  25 o 701.484  42.151  4441.64    513.885 4441.64    513.885 0.0000     0.0000  701.484 42.151  ?       ?       0.000000       42.15077 
1 1 1 -2  2  26 o 476.103  31.183  2023.33    257.799 2023.33    257.799 0.0000     0.0000  476.103 31.183  ?       ?       0.000000       31.18343 
1 1 1 -2  2  27 o 391.799  15.554  1346.86    106.407 1322.86    184.302 1358.86    130.321 385.308 27.577  393.061 18.989  -7.753143      33.48174 
1 1 1 -2  2  28 f 677.625  19.991  4044.36    236.534 4012.25    334.503 4076.48    334.515 671.880 28.513  677.332 28.285  -5.452271      40.16249 
1 1 1 -2  2  29 o 368.160  13.027  1188.09    83.742  1107.14    118.418 1269.07    118.441 354.053 19.227  379.832 17.859  -25.77866      26.24147 
1 1 1 -2  2  30 o 231.943  12.388  472.792    49.987  511.367    86.508  453.456    61.248  239.847 20.865  226.697 15.568  13.15085       26.03225 
1 1 1 -2  2  31 o 311.829  11.928  851.992    64.943  805.415    91.833  898.591    91.855  302.068 17.486  319.295 16.532  -17.22736      24.06424 
1 1 1 -2  2  32 o 919.362  26.123  7506.82    419.339 7813.27    593.042 7200.38    593.028 930.432 36.504  891.909 38.080  38.52277       52.75020 
1 1 1 -2  2  33 o 531.581  16.621  2483.62    154.273 2456.24    218.172 2511.01    218.179 526.820 23.718  532.741 23.455  -5.920654      33.35666 
1 1 1 -2  2  34 o 575.496  17.452  2911.92    175.367 2716.41    248.025 3107.37    247.988 553.586 25.660  592.656 23.964  -39.06952      35.10984 
1 1 1 -2  2  35 o 268.165  13.080  630.167    61.246  614.879    106.474 637.727    74.873  262.808 23.449  269.052 16.010  -6.243408      28.39339 
1 1 1 -2  2  36 o 766.649  31.656  5235.07    423.756 0.0000     0.0000  5235.07    423.756 ?       ?       766.649 31.656  0.000000       31.65603 
1 1 1 -2  2  37 o 150.469  13.950  200.051    36.233  0.0000     0.0000  200.051    36.233  ?       ?       150.469 13.950  0.000000       13.94959 
1 1 1 -2  2  38 o 415.268  16.120  1512.31    116.885 1436.00    202.366 1550.51    143.185 401.638 29.052  420.042 19.523  -18.40399      35.00259 
1 1 1 -2  2  39 o 446.520  14.493  1746.79    112.996 1720.82    159.851 1772.72    159.751 442.383 20.694  449.054 20.374  -6.671600      29.04082 
1 1 1 -2  2  40 o 211.759  10.177  392.151    37.627  386.496    53.344  397.752    53.083  209.527 14.673  212.604 14.384  -3.077103      20.54786 
1 1 1 -2  2  41 o 110.098  9.4592  106.760    18.008  124.385    25.812  90.048     25.135  118.538 12.667  100.316 14.794  18.22225       19.47602 
1 1 1 -2  2  42 o 679.780  23.080  4069.42    273.944 3946.69    474.416 4130.81    335.535 662.045 41.245  683.463 28.116  -21.41803      49.91681 
1 1 1 -2  2  43 o 477.320  17.697  1999.42    147.493 1987.81    255.388 2005.23    180.668 472.406 31.136  477.397 21.674  -4.991302      37.93710 
1 1 1 -2  2  44 o 120.163  11.279  127.439    23.388  131.728    40.155  125.236    28.773  120.908 19.699  118.735 14.157  2.173233       24.25858 
1 1 1 -2  2  45 o 474.213  16.794  1972.95    139.057 2107.28    170.409 1705.24    240.569 489.599 19.934  437.027 31.743  52.57248       37.48271 
1 1 1 -2  2  46 o 257.296  15.336  582.447    68.587  582.447    68.587  0.0000     0.0000  257.296 15.336  ?       ?       0.000000       15.33630 
1 1 1 -2  2  47 o 423.555  19.846  1577.71    146.772 1577.71    146.772 0.0000     0.0000  423.555 19.846  ?       ?       0.000000       19.84583 
1 1 1 -2  2  48 o 461.572  20.593  1875.30    165.968 1875.30    165.968 0.0000     0.0000  461.572 20.593  ?       ?       0.000000       20.59318 
1 1 1 -2  2  49 f 742.490  24.523  4871.65    317.921 5029.50    389.431 4556.21    550.486 752.336 29.645  706.908 44.831  45.42780       53.74592 
1 1 1 -2  2  50 o 152.163  11.839  203.958    31.208  203.334    38.555  205.145    53.149  151.553 14.757  151.242 20.667  0.3106995      25.39456 
1 1 1 -2  2  51 o 179.282  12.645  283.008    39.332  226.950    69.502  309.419    47.705  158.033 26.099  187.234 14.711  -29.20168      29.95926 
1 1 1 -2  2  52 o 322.588  12.026  911.655    67.736  933.804    95.684  889.405    95.903  325.508 16.893  317.569 17.361  7.938263       24.22367 
1 1 1 -2  2  53 o 120.313  11.112  127.846    23.080  103.063    30.534  160.878    35.252  106.982 16.908  134.494 15.283  -27.51227      22.79125 
1 1 1 -2  2  54 o ?        ?       -78.2668   6.5489  -79.8158   6.6607  -33.2781   35.895  ?       ?       42.480  19.796  0.000000       19.79647 
1 1 1 -2  2  55 o 256.589  11.188  576.948    50.126  490.994    69.383  670.787    72.496  235.536 16.985  275.840 15.109  -40.30429      22.73270 
1 1 1 -2  2  56 o 249.324  11.217  544.950    48.830  586.921    69.175  503.264    68.938  257.822 15.437  238.441 16.663  19.38142       22.71484 
1 1 1 -2  2  57 o 298.064  13.503  780.779    70.277  776.583    120.945 782.917    86.351  294.346 23.734  297.501 16.691  -3.154816      29.01541 
1 1 1 -2  2  58 o 221.336  12.664  431.869    48.740  412.107    83.068  442.245    60.190  213.941 22.578  223.452 15.523  -9.510147      27.39967 
1 1 1 -2  2  59 o 413.507  19.222  1518.27    138.788 0.0000     0.0000  1518.27    138.788 ?       ?       413.507 19.222  0.000000       19.22231 
1 1 1 -2  2  60 o 231.200  15.547  474.628    62.397  0.0000     0.0000  474.628    62.397  ?       ?       231.200 15.547  0.000000       15.54681 
1 1 1 -2  2  61 f 187.532  12.753  311.396    41.510  383.385    73.535  277.728    50.289  205.978 20.728  176.191 16.540  29.78766       26.51814 
1 1 1 -2  2  62 o 150.053  10.995  199.215    28.607  223.911    40.995  175.774    39.939  158.268 15.014  139.642 16.712  18.62537       22.46621 
1 1 1 -2  2  63 o 469.039  15.027  1953.90    123.067 1988.58    173.835 1919.04    174.252 469.236 21.217  460.630 21.665  8.605682       30.32392 
1 1 1 -2  2  64 o 228.973  10.967  462.472    43.848  438.503    61.455  487.328    62.581  221.136 16.025  233.392 15.444  -12.25633      22.25548 
1 1 1 -2  2  65 o 98.029   13.019  86.694     21.733  83.130     31.303  90.011     30.197  94.204  19.666  98.524  18.225  -4.320099      26.81214 
1 1 1 -2  2  66 o 209.918  11.045  390.886    40.343  415.111    56.898  366.396    57.209  214.826 15.268  201.297 16.420  13.52838       22.42157 
1 1 1 -2  2  67 o 150.595  11.483  202.315    29.968  192.994    42.494  211.538    42.268  145.206 17.087  152.474 16.121  -7.267487      23.49182 
1 1 1 -2  2  68 f 192.059  12.698  330.519    42.342  305.616    51.512  382.395    74.347  183.143 16.278  202.098 21.394  -18.95538      26.88287 
1 1 1 -2  2  69 f 52.196   19.396  20.487     23.583  20.487     23.583  0.0000     0.0000  52.196  19.396  ?       ?       0.000000       19.39624 
1 1 1 -2  2  70 o 144.311  16.817  192.738    41.581  192.738    41.581  0.0000     0.0000  144.311 16.817  ?       ?       0.000000       16.81720 
1 1 1 -2  2  71 o 89.981   20.110  78.619     30.801  79.947     47.944  77.686     40.193  88.571  27.824  87.835  25.006  0.7357178      37.40968 
1 1 1 -2  2  72 o 78.327   20.921  60.447     29.154  47.730     41.982  72.292     40.516  72.014  26.023  84.384  25.410  -12.37022      36.37107 
1 1 1 -2  2  73 o 31.808   13.868  -1.7144    14.486  -2.4524    19.687  -0.8433    21.391  36.736  16.087  38.974  16.923  -2.238556      23.34936 
1 1 1 -2  2  74 o 19.030   9.4260  -26.7278   11.732  -35.7858   16.133  -16.5619   17.091  22.412  11.093  28.536  13.415  -6.124153      17.40690 
1 1 1 -2  2  75 o 186.264  11.300  314.260    36.577  294.117    51.197  335.259    52.274  176.365 16.830  189.070 15.984  -12.70459      23.21053 
1 1 1 -2  2  76 o 72.936   15.516  51.298     19.153  43.925     26.246  59.697     28.012  66.316  20.547  76.693  20.517  -10.37685      29.03657 
1 1 1 -2  2  77 o 97.344   12.972  88.446     21.499  78.261     30.129  99.012     30.687  87.738  20.098  100.175 18.215  -12.43688      27.12449 
1 1 1 -2  3  1  o 345.342  13.681  1042.70    82.494  1125.82    101.051 876.631    142.835 358.742 16.132  314.970 26.210  43.77182       30.77669 
1 1 1 -2  3  2  o 201.539  14.461  357.006    50.552  401.129    71.496  312.896    71.486  213.165 19.422  187.655 22.251  25.51001       29.53478 
1 1 1 -2  3  3  o 522.135  16.366  2385.05    149.205 2369.26    172.294 2432.41    298.374 520.218 18.968  524.671 32.733  -4.452393      37.83153 
1 1 1 -2  3  4  o 833.390  23.169  6088.90    337.140 6278.46    476.787 5899.34    476.789 844.601 32.330  818.490 33.362  26.11115       46.45710 
1 1 1 -2  3  5  o 620.396  21.382  3372.26    231.621 3424.90    283.667 3266.97    401.207 624.686 26.007  607.148 38.037  17.53778       46.07794 
1 1 1 -2  3  6  o 789.675  25.626  5472.30    353.335 5452.42    432.733 5512.07    612.030 787.208 31.482  787.201 44.712  0.7019043E-02  54.68327 
1 1 1 -2  3  7  o 918.363  27.192  7406.45    436.037 6983.76    534.014 8252.01    755.295 890.222 34.355  964.529 44.848  -74.30762      56.49406 
1 1 1 -2  3  8  o 405.586  12.631  1438.00    89.454  1280.59    109.531 1753.27    155.015 382.577 16.397  447.424 19.842  -64.84744      25.74034 
1 1 1 -2  3  9  f 614.439  15.445  3302.45    165.708 2816.23    202.913 4275.94    287.116 566.987 20.496  698.260 23.549  -131.2731      31.21963 
1 1 1 -2  3  10 f 584.254  17.876  2988.07    182.366 3121.14    315.905 2921.56    223.338 594.848 30.518  577.304 22.156  17.54419       37.71246 
1 1 1 -2  3  11 o 489.102  17.638  2094.06    150.627 2268.51    260.944 2006.89    184.461 506.996 29.606  478.452 22.080  28.54361       36.93272 
1 1 1 -2  3  12 o 743.676  30.399  4867.75    394.731 5033.38    558.239 4702.12    558.229 752.123 42.684  726.370 44.225  25.75317       61.46313 
1 1 1 -2  3  13 o 422.942  19.764  1567.25    145.955 1780.70    206.432 1353.89    206.392 449.435 26.422  390.993 30.472  58.44266       40.33194 
1 1 1 -2  3  14 o 678.826  21.629  4040.77    256.362 4279.59    444.089 3921.41    313.957 694.791 36.737  667.918 26.921  26.87238       45.54446 
1 1 1 -2  3  15 o 761.656  26.650  5100.19    354.421 4665.82    613.913 5317.33    434.062 720.980 49.058  776.503 32.014  -55.52313      58.58004 
1 1 1 -2  3  16 o 747.765  24.561  4912.21    320.679 4820.90    392.728 5094.89    555.495 739.555 30.413  755.827 42.261  -16.27216      52.06657 
1 1 1 -2  3  17 o 295.941  13.227  766.094    68.346  710.199    83.672  878.161    118.477 284.265 16.934  315.609 21.630  -31.34399      27.47030 
1 1 1 -2  3  18 o 613.393  21.335  3302.55    228.507 3192.50    279.836 3522.78    395.860 602.188 26.614  629.364 36.175  -27.17615      44.91016 
1 1 1 -2  3  19 o 724.427  24.420  4616.53    308.896 4566.98    378.336 4715.61    534.973 719.111 30.131  725.501 42.416  -6.390320      52.02874 
1 1 1 -2  3  20 o 516.798  23.373  2349.60    210.912 2221.75    298.354 2477.31    298.195 499.196 34.440  527.829 32.514  -28.63321      47.36287 
1 1 1 -2  3  21 o 144.947  13.974  185.660    34.929  175.270    49.576  195.902    49.220  139.704 20.971  148.111 19.507  -8.407730      28.64087 
1 1 1 -2  3  22 o 696.928  30.036  4304.24    365.509 3704.55    516.960 4903.69    516.855 638.372 46.703  738.539 40.232  -100.1671      61.64252 
1 1 1 -2  3  23 o 78.446   10.730  54.833     14.312  42.760     20.299  66.767     20.182  68.469  17.046  86.227  13.876  -17.75807      21.97923 
1 1 1 -2  3  24 o 90.068   9.2477  71.686     14.337  71.694     20.274  71.678     20.277  89.486  13.387  89.476  13.391  0.1042175E-01  18.93443 
1 1 1 -2  3  25 o 262.025  12.760  601.476    58.381  574.525    71.460  655.569    101.237 255.327 16.111  271.869 21.502  -16.54207      26.86840 
1 1 1 -2  3  26 o 396.738  15.977  1382.15    110.679 1452.71    135.539 1240.93    191.740 406.236 19.108  372.169 29.755  34.06693       35.36207 
1 1 1 -2  3  27 o 456.435  17.383  1832.10    138.541 1852.91    169.654 1790.45    240.025 458.211 21.205  446.722 30.963  11.48856       37.52811 
1 1 1 -2  3  28 o 608.844  18.250  3263.53    194.011 3059.85    274.351 3467.28    274.395 586.719 26.780  625.224 25.135  -38.50470      36.72799 
1 1 1 -2  3  29 o 368.433  13.125  1190.38    84.435  1216.83    119.396 1163.93    119.423 371.707 18.396  362.971 18.909  8.736115       26.38086 
1 1 1 -2  3  30 o 237.073  10.582  492.107    43.803  563.643    62.036  420.984    61.857  253.049 14.096  218.235 16.352  34.81409       21.58929 
1 1 1 -2  3  31 o 114.985  9.5063  116.480    18.915  108.661    26.861  124.170    26.640  110.375 14.272  118.284 13.119  -7.909042      19.38561 
1 1 1 -2  3  32 o 212.132  11.752  395.371    43.360  343.210    74.966  421.594    53.153  195.880 22.317  218.796 13.986  -22.91589      26.33763 
1 1 1 -2  3  33 o 317.482  13.904  883.877    77.074  870.388    133.399 890.637    94.431  312.648 24.636  317.888 17.075  -5.239471      29.97491 
1 1 1 -2  3  34 o 417.038  16.358  1527.11    119.112 1674.30    206.255 1453.45    145.901 433.629 27.382  405.655 20.667  27.97452       34.30580 
1 1 1 -2  3  35 o 271.973  12.867  647.871    61.104  587.263    105.662 678.325    74.899  256.871 23.829  277.662 15.511  -20.79047      28.43282 
1 1 1 -2  3  36 o 217.015  10.365  411.965    39.276  404.696    55.692  419.158    55.400  214.348 14.974  218.205 14.625  -3.857651      20.93139 
1 1 1 -2  3  37 o 232.954  11.929  476.188    48.361  587.408    84.642  422.282    58.926  257.904 18.928  218.928 15.516  38.97649       24.47462 
1 1 1 -2  3  38 o 501.327  17.989  2206.21    157.471 2389.51    273.073 2114.89    192.747 518.305 30.306  490.085 22.524  28.22061       37.75958 
1 1 1 -2  3  39 o 56.473   12.257  28.995     11.739  47.202     24.647  23.653     13.350  72.063  19.231  51.257  14.349  20.80551       23.99399 
1 1 1 -2  3  40 o 753.952  21.300  5000.02    280.406 5298.55    396.615 4701.68    396.493 773.539 29.365  728.011 31.191  45.52795       42.83908 
1 1 1 -2  3  41 o 423.047  13.640  1567.32    100.758 1522.94    142.414 1611.81    142.573 416.327 19.591  428.376 19.061  -12.04892      27.33373 
1 1 1 -2  3  42 o 360.185  14.546  1136.70    91.480  1150.56    157.982 1129.71    112.206 360.214 25.278  358.743 17.913  1.471771       30.98153 
1 1 1 -2  3  43 o 414.822  13.164  1506.84    95.348  1296.81    134.519 1718.91    135.168 383.532 20.158  442.541 17.493  -59.00845      26.68969 
1 1 1 -2  3  44 o 116.551  11.844  120.113    23.769  110.111    28.323  143.933    43.710  111.090 14.984  126.339 20.518  -15.24972      25.40709 
1 1 1 -2  3  45 o 292.518  13.402  749.509    68.449  700.693    83.518  849.384    119.463 282.038 17.039  309.726 22.238  -27.68814      28.01542 
1 1 1 -2  3  46 o 387.484  15.518  1316.85    104.989 1292.20    128.497 1366.37    182.097 382.888 19.282  392.058 26.760  -9.170258      32.98352 
1 1 1 -2  3  47 o 230.489  15.525  468.109    62.115  467.446    87.471  468.783    88.223  229.244 22.128  229.541 22.293  -0.2969971     31.41030 
1 1 1 -2  3  48 o 256.793  16.267  581.154    72.560  629.379    102.111 531.966    103.126 266.247 22.166  244.143 24.523  22.10406       33.05614 
1 1 1 -2  3  49 o 356.864  18.292  1122.82    113.597 1068.53    160.224 1177.70    161.079 346.175 26.714  363.849 25.516  -17.67407      36.94191 
1 1 1 -2  3  50 o 246.236  16.154  534.773    69.068  534.773    69.068  0.0000     0.0000  246.236 16.154  ?       ?       0.000000       16.15388 
1 1 1 -2  3  51 o 130.475  13.395  150.826    30.084  156.721    36.548  138.439    52.980  132.604 16.116  122.744 25.551  9.859711       30.20892 
1 1 1 -2  3  52 o 149.519  13.157  197.557    34.000  183.676    41.472  226.015    59.380  143.549 16.867  158.428 22.065  -14.87854      27.77333 
1 1 1 -2  3  53 o 125.762  15.607  141.117    33.535  114.622    41.255  192.730    57.580  111.962 21.887  145.710 23.425  -33.74873      32.05936 
1 1 1 -2  3  54 o 232.709  11.890  476.051    48.152  488.227    66.973  463.021    69.281  234.952 16.428  228.576 17.492  6.375061       23.99693 
1 1 1 -2  3  55 o 449.095  14.793  1773.70    116.003 1797.08    163.697 1750.11    164.410 450.444 20.813  444.402 21.188  6.041779       29.70043 
1 1 1 -2  3  56 o 142.352  13.417  179.638    32.955  190.536    55.120  173.576    41.112  144.760 22.541  139.204 17.287  5.555908       28.40627 
1 1 1 -2  3  57 o 245.084  13.327  529.767    56.818  624.057    101.310 486.501    68.627  263.817 22.200  234.100 16.903  29.71701       27.90213 
1 1 1 -2  3  58 o 211.766  13.116  396.125    48.260  443.668    86.650  374.744    58.107  221.711 22.703  205.281 16.347  16.42970       27.97593 
1 1 1 -2  3  59 o 229.471  13.088  465.338    52.222  444.762    90.281  475.685    64.018  221.288 23.736  231.347 15.946  -10.05876      28.59477 
1 1 1 -2  3  60 o 112.300  14.246  113.153    27.307  114.489    45.268  112.388    34.238  110.595 24.121  110.975 18.308  -0.3801727     30.28173 
1 1 1 -2  3  61 o 52.500   17.028  23.834     17.842  15.222     27.497  30.097     23.449  52.487  20.584  59.176  19.537  -6.688068      28.37965 
1 1 1 -2  3  62 f 194.227  10.961  333.416    37.022  358.196    52.418  308.751    52.296  200.267 15.101  185.496 16.312  14.77136       22.22901 
1 1 1 -2  3  63 o 199.236  10.906  351.129    37.796  356.557    53.044  345.530    53.868  199.518 15.344  196.222 15.858  3.295975       22.06592 
1 1 1 -2  3  64 o 153.095  11.050  208.095    29.339  175.921    41.052  241.683    41.945  138.967 17.293  164.013 14.806  -25.04572      22.76534 
1 1 1 -2  3  65 o 278.051  11.358  684.501    55.145  649.581    77.407  720.486    78.580  268.283 16.606  282.936 15.971  -14.65244      23.03987 
1 1 1 -2  3  66 o 161.146  13.225  233.030    36.884  231.855    60.508  233.725    46.528  156.733 22.777  160.037 16.907  -3.304291      28.36563 
1 1 1 -2  3  67 o 99.586   18.907  93.424     31.674  84.528     43.010  103.965    46.820  92.707  25.685  102.537 26.088  -9.830055      36.61007 
1 1 1 -2  3  68 o 79.904   17.432  60.377     23.637  61.139     28.629  58.746     41.893  79.683  20.468  78.679  26.120  1.004654       33.18455 
1 1 1 -2  3  69 o 160.668  15.590  236.577    43.187  236.577    43.187  0.0000     0.0000  160.668 15.590  ?       ?       0.000000       15.59046 
1 1 1 -2  3  70 o 44.048   17.704  9.8632     20.831  -7.9009    24.381  57.884     40.086  38.993  17.444  77.172  25.547  -38.17901      30.93473 
1 1 1 -2  3  71 o 68.841   19.196  45.927     23.942  43.522     28.379  51.864     44.593  67.375  21.435  74.446  26.832  -7.070831      34.34284 
1 1 1 -2  3  72 o 49.337   18.611  18.305     21.874  9.4471     27.188  34.559     36.830  47.921  19.855  64.109  24.157  -16.18787      31.26927 
1 1 1 -2  3  73 f 70.962   16.761  48.666     20.436  29.695     28.674  68.250     29.134  58.659  21.459  82.838  20.300  -24.17922      29.53942 
1 1 1 -2  3  74 o 46.543   16.705  18.105     17.267  18.041     24.011  18.174     24.849  49.952  19.333  50.460  19.629  -0.5078850     27.55137 
1 1 1 -2  3  75 o 31.942   14.254  -4.7703    16.172  -13.3867   23.070  3.5537     22.675  35.375  16.268  41.574  17.728  -6.198650      24.06075 
1 1 1 -2  3  76 o 126.850  12.294  148.397    26.889  150.505    37.789  146.236    38.269  124.204 17.945  121.982 18.552  2.222473       25.81132 
1 1 1 -2  4  1  o 498.811  15.064  2176.90    131.205 2281.41    151.514 1863.55    262.346 510.496 16.998  458.506 32.990  51.98993       37.11143 
1 1 1 -2  4  2  o 400.497  13.330  1402.69    93.215  1438.49    107.646 1295.37    186.379 405.472 15.205  382.761 28.083  22.71155       31.93511 
1 1 1 -2  4  3  o 894.123  24.866  7020.66    388.215 6882.00    549.011 7159.33    549.026 882.533 35.628  900.350 34.924  -17.81689      49.88975 
1 1 1 -2  4  4  o 923.542  25.214  7491.89    406.587 7538.29    575.000 7445.48    575.003 923.598 35.655  917.825 35.880  5.773071       50.58288 
1 1 1 -2  4  5  o 326.723  11.027  933.044    62.905  973.740    88.962  892.350    88.960  333.591 15.273  319.313 15.956  14.27869       22.08735 
1 1 1 -2  4  6  o 647.459  18.326  3671.85    207.178 3671.89    292.991 3671.81    292.998 646.395 25.959  646.388 25.960  0.6958008E-02  36.71269 
1 1 1 -2  4  7  o 383.570  12.540  1286.48    83.986  1312.44    118.772 1260.52    118.775 387.129 17.571  379.370 17.931  7.758179       25.10490 
1 1 1 -2  4  8  o 432.140  15.999  1634.61    120.717 1583.29    147.830 1737.31    209.139 424.998 19.921  443.616 27.130  -18.61813      33.65866 
1 1 1 -2  4  9  f 1162.87  30.174  11918.24   612.665 11460.29   707.429 13292.37   1225.42 1138.21 35.596  1212.85 57.865  -74.64343      67.93655 
1 1 1 -2  4  10 o 459.683  14.361  1848.91    115.271 1848.80    133.092 1849.23    230.603 459.500 16.588  457.265 29.033  2.234894       33.43783 
1 1 1 -2  4  11 o 646.984  21.725  3673.73    245.418 3577.13    300.556 3867.01    425.129 637.508 27.001  659.487 37.069  -21.97870      45.86058 
1 1 1 -2  4  12 o 759.653  44.727  5172.00    590.649 5172.00    590.649 0.0000     0.0000  759.653 44.727  ?       ?       0.000000       44.72723 
1 1 1 -2  4  13 o 260.930  22.541  602.479    101.690 602.479    101.690 0.0000     0.0000  260.930 22.541  ?       ?       0.000000       22.54114 
1 1 1 -2  4  14 o 561.697  24.666  2776.13    241.911 2669.52    342.177 2882.66    342.050 547.276 36.009  569.237 34.578  -21.96185      49.92273 
1 1 1 -2  4  15 o 454.885  21.483  1818.01    170.635 1684.55    241.379 1951.32    241.249 435.073 31.999  469.038 29.609  -33.96503      43.59632 
1 1 1 -2  4  16 o 302.797  15.777  805.577    83.124  928.735    117.665 682.879    117.445 324.449 20.881  277.387 24.500  47.06146       32.19143 
1 1 1 -2  4  17 o 751.982  25.004  4985.80    328.313 5359.44    568.726 4799.05    402.075 771.526 42.380  735.720 31.299  35.80664       52.68459 
1 1 1 -2  4  18 o 811.294  23.248  5799.21    329.322 5693.49    465.724 5904.94    465.740 800.018 33.340  815.014 32.728  -14.99585      46.71899 
1 1 1 -2  4  19 o 529.506  16.551  2459.96    153.023 2337.03    216.395 2582.91    216.419 514.688 24.079  541.356 22.895  -26.66840      33.22654 
1 1 1 -2  4  20 o 431.294  14.267  1630.41    107.443 1541.91    151.932 1718.95    151.964 418.498 20.792  442.061 19.688  -23.56342      28.63401 
1 1 1 -2  4  21 o 211.348  10.490  390.864    38.710  317.044    54.716  464.834    54.771  189.286 16.727  229.889 13.707  -40.60301      21.62609 
1 1 1 -2  4  22 o 295.375  11.769  764.057    60.696  733.462    85.826  794.669    85.849  288.406 17.120  300.353 16.432  -11.94711      23.72974 
1 1 1 -2  4  23 o 200.220  12.090  352.460    42.069  359.039    51.499  339.265    72.936  201.749 14.721  194.865 21.810  6.883423       26.31319 
1 1 1 -2  4  24 o 430.544  14.259  1626.53    107.196 1487.80    151.584 1765.32    151.613 409.983 21.248  447.577 19.400  -37.59393      28.77224 
1 1 1 -2  4  25 o 647.083  22.606  3704.10    255.415 3878.21    312.809 3355.81    442.418 660.212 27.135  604.913 42.150  55.29974       50.12948 
1 1 1 -2  4  26 o 334.872  14.229  984.309    83.198  1012.43    101.902 928.081    144.089 338.760 17.285  322.210 25.828  16.54984       31.07854 
1 1 1 -2  4  27 o 279.074  13.249  683.151    64.562  692.925    79.084  663.621    111.792 280.276 16.229  272.667 23.717  7.609131       28.73845 
1 1 1 -2  4  28 o 284.951  16.456  716.303    81.527  721.442    115.178 711.143    115.416 284.486 23.394  282.377 23.626  2.109161       33.24854 
1 1 1 -2  4  29 o 472.332  17.487  1962.89    144.223 1936.76    249.714 1975.96    176.667 464.408 30.973  472.998 21.391  -8.589813      37.64162 
1 1 1 -2  4  30 o 535.547  19.272  2526.69    180.214 2650.14    312.075 2464.93    220.738 542.818 33.084  527.669 23.958  15.14923       40.84796 
1 1 1 -2  4  31 o 403.601  15.730  1430.25    110.854 1339.33    191.912 1475.78    135.800 387.040 28.600  409.441 18.995  -22.40164      34.33362 
1 1 1 -2  4  32 o 616.461  18.055  3341.03    194.337 3640.79    274.882 3041.48    274.786 641.631 24.536  585.702 26.869  55.92883       36.38621 
1 1 1 -2  4  33 o 548.171  16.667  2637.85    159.528 2791.32    225.654 2484.51    225.560 562.506 22.975  530.352 24.358  32.15448       33.48341 
1 1 1 -2  4  34 o 484.888  15.354  2061.62    129.999 2013.17    183.901 2110.02    183.790 478.055 22.031  489.523 21.502  -11.46735      30.78537 
1 1 1 -2  4  35 o 471.844  14.939  1951.46    123.081 2052.58    174.115 1850.46    174.010 483.041 20.644  458.453 21.738  24.58768       29.97830 
1 1 1 -2  4  36 o 211.114  10.355  389.832    38.172  394.778    53.996  384.890    53.972  211.746 14.695  209.042 14.884  2.703873       20.91605 
1 1 1 -2  4  37 o 150.030  11.336  198.062    29.476  233.338    51.825  181.194    35.838  161.947 18.669  143.073 14.548  18.87363       23.66835 
1 1 1 -2  4  38 o 250.557  12.854  551.062    56.048  535.463    97.581  558.742    68.468  245.496 23.034  251.977 15.639  -6.480530      27.84144 
1 1 1 -2  4  39 o 304.754  13.894  813.529    73.931  793.548    128.255 823.472    90.475  298.916 24.797  305.893 17.006  -6.977325      30.06853 
1 1 1 -2  4  40 o 369.906  15.157  1199.38    97.898  1190.11    169.476 1204.02    119.930 366.000 26.704  369.782 18.635  -3.781708      32.56283 
1 1 1 -2  4  41 o 615.680  21.405  3336.46    230.108 3256.12    281.841 3497.07    398.507 606.883 26.597  624.418 36.712  -17.53571      45.33449 
1 1 1 -2  4  42 o 193.920  12.172  330.487    41.004  308.331    50.218  374.806    71.025  186.878 15.531  205.485 20.051  -18.60713      25.36226 
1 1 1 -2  4  43 o 611.876  21.240  3296.41    226.927 3334.91    277.939 3219.43    393.021 614.173 25.918  598.139 37.826  16.03430       45.85357 
1 1 1 -2  4  44 o 355.344  14.922  1107.16    92.581  1086.84    113.341 1147.89    160.490 351.176 18.550  359.408 25.745  -8.232086      31.73145 
1 1 1 -2  4  45 o 550.068  19.399  2661.67    186.315 2525.95    228.036 2934.21    323.141 534.680 24.426  572.817 32.441  -38.13702      40.60869 
1 1 1 -2  4  46 o 383.044  15.427  1287.36    103.178 1248.28    126.215 1366.10    179.141 376.177 19.280  391.877 26.334  -15.69992      32.63736 
1 1 1 -2  4  47 o 546.998  16.858  2628.52    161.012 2556.11    227.577 2701.10    227.834 537.629 24.243  552.851 23.602  -15.22168      33.83437 
1 1 1 -2  4  48 o 61.919   14.311  34.975     15.162  17.835     20.231  56.936     22.900  49.718  18.049  78.986  17.100  -29.26738      24.86356 
1 1 1 -2  4  49 o 331.722  14.449  965.598    83.691  920.935    102.179 1056.64    145.882 322.980 18.193  344.564 24.405  -21.58368      30.44008 
1 1 1 -2  4  50 o 375.452  15.161  1238.04    99.388  1141.57    121.338 1434.71    173.255 359.337 19.411  401.437 24.840  -42.10062      31.52435 
1 1 1 -2  4  51 o 406.997  16.073  1456.57    114.225 1379.11    139.585 1613.58    198.733 394.679 20.324  424.836 26.930  -30.15778      33.73862 
1 1 1 -2  4  52 o 465.501  17.098  1908.40    138.973 1543.36    238.778 2095.40    170.901 412.362 33.451  486.966 20.099  -74.60385      39.02528 
1 1 1 -2  4  53 o 164.289  12.891  238.352    36.683  172.760    59.202  279.229    46.736  137.105 25.673  177.531 15.224  -40.42615      29.84767 
1 1 1 -2  4  54 o 334.006  14.710  981.507    85.788  981.788    147.053 981.362    105.624 330.539 25.681  332.812 18.246  -2.273376      31.50275 
1 1 1 -2  4  55 o 127.608  15.868  145.716    34.592  120.551    45.851  178.959    52.700  114.222 23.764  140.181 22.276  -25.95920      32.57212 
1 1 1 -2  4  56 o 53.697   17.046  25.068     17.954  13.190     20.634  62.089     36.428  46.864  17.980  82.405  23.913  -35.54063      29.91826 
1 1 1 -2  4  57 o 259.958  13.302  596.701    60.175  588.203    73.353  614.190    105.228 257.342 16.410  260.756 23.360  -3.413940      28.54755 
1 1 1 -2  4  58 o 233.631  11.451  480.059    46.711  517.426    66.479  443.618    65.649  241.241 15.871  222.994 16.988  18.24707       23.24843 
1 1 1 -2  4  59 o 272.377  11.812  653.447    56.177  643.807    79.648  662.989    79.245  268.566 17.074  272.672 16.725  -4.105896      23.90060 
1 1 1 -2  4  60 o 191.341  13.025  324.974    43.257  287.764    75.047  343.487    52.935  176.074 25.123  196.057 15.592  -19.98276      29.56784 
1 1 1 -2  4  61 o 80.162   17.391  59.590     23.642  45.664     40.274  66.913     29.203  73.507  25.590  84.545  20.081  -11.03745      32.52800 
1 1 1 -2  4  62 o 73.218   17.719  49.999     22.408  48.986     39.040  50.496     27.365  74.622  25.220  73.542  20.528  1.079971       32.51795 
1 1 1 -2  4  63 o 120.353  14.279  130.783    29.422  144.165    50.578  123.939    36.172  122.950 24.421  115.845 18.505  7.104858       30.64025 
1 1 1 -2  4  64 o 59.912   19.748  31.688     23.961  48.209     30.775  6.2562     38.184  72.033  22.238  54.901  23.190  17.13148       32.12917 
1 1 1 -2  4  65 o 188.893  13.539  320.347    44.358  348.145    55.127  269.291    74.710  195.784 16.273  166.733 26.553  29.05110       31.14290 
1 1 1 -2  4  66 o 94.176   17.919  83.331     28.388  99.532     36.105  57.096     45.945  101.994 20.974  78.810  27.338  23.18375       34.45656 
1 1 1 -2  4  67 f 205.615  11.439  377.892    40.905  381.747    58.778  374.271    56.963  204.061 16.642  202.255 16.267  1.805939       23.27163 
1 1 1 -2  4  68 o 28.858   13.166  -8.8057    14.711  -18.4540   20.232  2.0173     21.429  31.513  14.744  40.592  17.269  -9.079224      22.70730 
1 1 1 -2  4  69 f 194.200  11.140  338.224    37.617  323.595    54.038  351.978    52.395  186.871 16.739  195.767 15.454  -8.895950      22.78183 
1 1 1 -2  4  70 o 65.384   16.733  40.998     19.183  35.996     26.697  46.336     27.581  62.250  20.856  69.026  21.006  -6.775864      29.60108 
1 1 1 -2  4  71 o 129.480  13.837  154.343    30.798  162.162    38.316  140.070    51.768  131.004 17.163  116.037 26.174  14.96688       31.29939 
1 1 1 -2  4  72 o 119.187  14.143  131.780    28.859  121.660    36.031  149.891    48.202  111.840 19.139  121.407 23.588  -9.566498      30.37615 
1 1 1 -2  4  73 o 105.572  16.018  105.943    28.599  103.741    35.625  109.935    47.965  101.791 20.747  100.823 26.790  0.9682999      33.88432 
1 1 1 -2  4  74 o 40.228   17.226  2.5893     21.574  -5.2302    46.568  4.7263     24.344  53.207  23.932  43.264  18.406  9.943092       30.19132 
1 1 1 -2  4  75 o 110.068  15.733  116.007    29.376  106.199    58.283  119.347    34.013  94.251  30.786  110.004 18.355  -15.75256      35.84223 
1 1 1 -2  5  1  o 506.380  22.237  2254.13    196.615 2448.33    278.093 2060.03    278.016 525.323 30.449  480.945 33.312  44.37817       45.13074 
1 1 1 -2  5  2  o 285.255  15.920  715.121    78.979  814.173    111.743 616.248    111.642 303.698 21.206  263.457 24.552  40.24127       32.44192 
1 1 1 -2  5  3  o 208.007  14.619  380.728    52.759  395.336    74.646  366.145    74.580  211.195 20.500  203.038 21.357  8.156860       29.60406 
1 1 1 -2  5  4  o 548.848  23.684  2650.94    226.974 2772.03    321.036 2529.92    320.943 558.207 33.085  532.686 34.695  25.52051       47.94171 
1 1 1 -2  5  5  o 347.816  25.672  1071.97    154.809 1071.97    154.809 0.0000     0.0000  347.816 25.672  ?       ?       0.000000       25.67218 
1 1 1 -2  5  6  o 386.788  27.228  1326.88    182.715 1326.88    182.715 0.0000     0.0000  386.788 27.228  ?       ?       0.000000       27.22816 
1 1 1 -2  5  7  o 98.063   19.350  87.360     31.956  87.360     31.956  0.0000     0.0000  98.063  19.350  ?       ?       0.000000       19.35026 
1 1 1 -2  5  8  o 450.556  29.960  1805.14    234.351 1805.14    234.351 0.0000     0.0000  450.556 29.960  ?       ?       0.000000       29.95978 
1 1 1 -2  5  9  o 226.879  21.576  456.802    84.443  456.802    84.443  0.0000     0.0000  226.879 21.576  ?       ?       0.000000       21.57588 
1 1 1 -2  5  10 o 158.934  13.926  222.936    38.257  243.686    54.095  202.173    54.112  165.485 19.070  150.152 21.232  15.33321       28.53857 
1 1 1 -2  5  11 o 445.287  20.608  1744.09    160.230 1616.53    226.576 1871.70    226.621 425.717 30.687  458.906 28.422  -33.18842      41.82704 
1 1 1 -2  5  12 o 338.731  12.234  1004.47    72.356  1000.81    83.535  1015.49    144.790 337.955 14.156  338.288 24.683  -0.3325500     28.45427 
1 1 1 -2  5  13 o 216.821  10.186  411.241    38.564  490.956    54.552  331.614    54.522  236.372 13.271  193.731 16.269  42.64120       20.99522 
1 1 1 -2  5  14 o 245.396  10.880  526.988    46.618  575.144    65.935  478.851    65.922  255.677 14.833  233.014 16.305  22.66325       22.04284 
1 1 1 -2  5  15 o 627.483  18.478  3462.36    202.450 3626.48    286.312 3298.26    286.302 640.062 25.619  609.987 26.881  30.07416       37.13337 
1 1 1 -2  5  16 o 309.736  13.833  841.139    74.813  859.932    91.648  803.605    129.519 312.408 16.864  300.327 24.924  12.08139       30.09304 
1 1 1 -2  5  17 o 161.865  13.497  231.290    37.798  260.186    53.584  202.673    53.325  171.023 18.225  150.200 20.899  20.82239       27.72943 
1 1 1 -2  5  18 o 359.079  15.150  1131.99    94.988  1148.90    116.315 1098.13    164.583 360.791 18.526  350.536 27.100  10.25528       32.82761 
1 1 1 -2  5  19 o 289.870  13.268  736.859    67.156  725.227    82.224  760.164    116.386 286.760 16.491  292.247 22.994  -5.486938      28.29618 
1 1 1 -2  5  20 o 225.844  12.408  448.448    48.742  455.577    59.786  434.320    84.170  227.249 15.154  220.547 22.157  6.701492       26.84352 
1 1 1 -2  5  21 o 433.021  13.720  1645.43    103.733 1711.99    146.738 1578.93    146.664 440.643 19.072  422.998 19.857  17.64493       27.53269 
1 1 1 -2  5  22 o 104.860  10.610  97.273     19.159  131.331    23.604  31.495     32.802  121.927 11.213  64.452  23.036  57.47498       25.61990 
1 1 1 -2  5  23 o 211.970  14.907  396.618    54.822  407.500    77.426  385.678    77.635  213.737 21.018  207.727 21.726  6.009735       30.22882 
1 1 1 -2  5  24 o 329.038  17.699  956.102    101.311 986.658    143.163 925.449    143.389 332.462 24.841  321.664 25.746  10.79843       35.77620 
1 1 1 -2  5  25 o 475.307  20.995  1995.81    174.240 1833.64    246.255 2158.39    246.570 451.298 31.447  490.925 28.892  -39.62714      42.70464 
1 1 1 -2  5  26 o 345.850  18.567  1056.53    111.714 1173.18    157.866 939.513    158.109 362.814 25.073  323.560 28.270  39.25418       37.78698 
1 1 1 -2  5  27 o 653.521  27.940  3800.84    318.821 3800.84    318.821 0.0000     0.0000  653.521 27.940  ?       ?       0.000000       27.93986 
1 1 1 -2  5  28 o 635.323  19.142  3554.40    212.347 3574.51    300.317 3534.30    300.290 634.384 27.112  630.744 27.266  3.639587       38.45158 
1 1 1 -2  5  29 o 305.967  13.961  820.822    74.586  787.977    91.402  886.285    129.039 298.900 17.591  315.840 23.568  -16.93982      29.40923 
1 1 1 -2  5  30 o 116.067  10.070  118.739    20.206  115.176    28.796  122.195    28.360  113.648 14.868  117.229 14.141  -3.580315      20.51835 
1 1 1 -2  5  31 o 105.329  9.6216  97.836     17.500  102.312    24.979  93.521     24.525  107.206 13.654  102.354 14.097  4.852638       19.62527 
1 1 1 -2  5  32 o 294.442  11.538  758.770    59.320  808.695    83.945  708.975    83.836  303.225 15.911  283.704 17.002  19.52023       23.28579 
1 1 1 -2  5  33 o 562.768  19.626  2784.34    192.856 2863.82    236.196 2625.38    334.046 569.827 23.739  541.108 35.554  28.71948       42.75058 
1 1 1 -2  5  34 o 531.237  19.072  2479.89    176.906 2649.30    216.701 2141.40    306.309 548.358 22.633  488.316 36.182  60.04221       42.67786 
1 1 1 -2  5  35 o 254.453  10.946  566.463    48.633  558.128    68.600  574.886    68.956  251.812 15.680  255.599 15.524  -3.786682      22.06495 
1 1 1 -2  5  36 o 491.701  15.843  2120.18    136.016 2063.93    192.303 2176.50    192.409 483.990 22.755  497.130 22.166  -13.13934      31.76723 
1 1 1 -2  5  37 o 485.667  22.009  2077.22    186.640 2080.95    264.126 2073.50    263.773 482.952 31.494  482.078 31.510  0.8740845      44.55043 
1 1 1 -2  5  38 o 464.842  21.263  1902.09    172.579 1962.52    244.233 1841.83    243.894 469.366 29.957  454.346 30.927  15.02042       43.05745 
1 1 1 -2  5  39 o 25.608   11.270  -2.8345    9.7685  -15.2133   13.668  10.092     13.967  25.363  11.946  39.629  14.887  -14.26607      19.08716 
1 1 1 -2  5  40 o 277.422  16.409  677.722    79.132  701.969    112.000 653.554    111.820 281.218 23.011  271.109 23.865  10.10898       33.15178 
1 1 1 -2  5  41 f 696.033  20.460  4264.52    248.651 4225.71    351.604 4303.36    351.687 689.935 29.187  696.349 28.925  -6.413574      41.09117 
1 1 1 -2  5  42 o 168.781  10.295  250.161    30.194  243.911    42.436  256.569    42.970  166.129 14.784  170.445 14.579  -4.315933      20.76296 
1 1 1 -2  5  43 o 478.079  15.305  2005.29    127.757 2076.23    180.695 1934.38    180.658 485.337 21.323  468.300 22.094  17.03690       30.70484 
1 1 1 -2  5  44 o 305.502  11.878  817.346    63.360  876.344    89.652  758.471    89.559  315.487 16.331  293.241 17.572  22.24673       23.98906 
1 1 1 -2  5  45 o 425.424  14.182  1587.37    105.347 1659.15    149.007 1515.63    148.959 434.019 19.662  414.649 20.574  19.36996       28.45884 
1 1 1 -2  5  46 o 169.409  10.787  252.268    31.742  270.480    44.854  233.999    44.926  174.936 14.824  162.435 16.050  12.50064       21.84836 
1 1 1 -2  5  47 o 838.655  27.687  6260.18    405.435 6619.64    496.605 5541.71    702.092 858.868 33.115  768.673 52.627  90.19495       62.17897 
1 1 1 -2  5  48 o 381.220  15.713  1277.23    104.592 1321.21    128.012 1188.92    181.404 387.147 18.937  363.920 28.783  23.22699       34.45397 
1 1 1 -2  5  49 o 58.467   17.942  30.131     20.068  63.220     30.486  4.8295     26.659  82.982  21.018  47.294  19.633  35.68802       28.76120 
1 1 1 -2  5  50 o 520.097  23.060  2400.40    209.412 2233.76    295.577 2568.33    296.733 495.804 34.354  533.131 32.025  -37.32681      46.96623 
1 1 1 -2  5  51 o ?        ?       -212.2568  7.0320  -245.0537  9.0120  -161.2035  11.244  ?       ?       ?       ?       0.000000       ?        
1 1 1 -2  5  52 o 314.901  14.149  872.061    77.798  804.062    94.856  1011.81    135.983 301.151 18.124  336.358 23.297  -35.20663      29.51658 
1 1 1 -2  5  53 o 333.793  12.609  978.928    73.489  918.484    103.542 1040.28    104.320 321.636 18.515  342.661 17.494  -21.02487      25.47251 
1 1 1 -2  5  54 o 44.522   15.262  15.999     14.299  -0.8465    19.042  37.776     21.651  37.757  16.176  64.486  18.351  -26.72935      24.46300 
1 1 1 -2  5  55 o 184.031  10.927  298.471    34.954  306.902    48.925  289.681    49.956  185.819 15.212  180.315 16.034  5.504654       22.10241 
1 1 1 -2  5  56 o 205.335  10.787  371.507    38.540  334.168    53.634  411.371    55.418  193.619 16.008  215.248 14.836  -21.62932      21.82569 
1 1 1 -2  5  57 o 127.426  12.937  144.689    28.385  150.792    46.932  141.169    35.643  127.879 21.801  125.000 16.752  2.878746       27.49381 
1 1 1 -2  5  58 o 176.094  12.221  274.879    37.343  219.944    62.552  305.300    46.548  153.966 24.055  185.069 14.521  -31.10251      28.09782 
1 1 1 -2  5  59 o 87.868   16.078  70.836     23.758  58.366     41.140  77.076     29.102  80.210  25.840  91.074  18.919  -10.86302      32.02507 
1 1 1 -2  5  60 o 303.577  14.040  818.878    74.421  851.160    91.186  754.482    128.790 307.808 17.032  284.301 26.240  23.50665       31.28357 
1 1 1 -2  5  61 o 134.489  16.810  164.690    38.613  140.576    55.326  187.588    53.914  120.457 26.976  141.504 22.580  -21.04671      35.17874 
1 1 1 -2  5  62 o 106.625  18.181  105.493    32.634  84.518     46.661  125.578    45.659  93.308  27.060  114.562 23.611  -21.25465      35.91265 
1 1 1 -2  5  63 o 30.448   14.251  -18.0081   18.928  -28.4437   27.681  -8.8437    25.940  36.044  16.984  40.408  18.041  -4.364140      24.77733 
1 1 1 -2  5  64 o 123.102  14.027  137.554    29.612  115.540    51.381  148.502    36.235  107.556 27.309  126.978 16.752  -19.42177      32.03799 
1 1 1 -2  5  65 o 85.127   14.504  66.979     20.786  59.375     29.961  74.036     28.862  78.373  21.326  88.023  19.310  -9.649559      28.76897 
1 1 1 -2  5  66 o 145.047  11.554  189.020    29.020  192.408    41.447  185.762    40.647  144.155 16.780  141.625 16.762  2.530533       23.71811 
1 1 1 -2  5  67 o 47.439   16.830  18.528     17.477  7.3016     26.398  27.290     23.321  46.741  19.481  55.976  19.473  -9.234562      27.54513 
1 1 1 -2  5  68 o 53.179   17.198  25.860     18.212  39.656     27.376  14.908     24.392  64.742  21.097  48.980  19.330  15.76139       28.61348 
1 1 1 -2  5  69 o 135.551  11.937  166.774    27.965  182.581    40.436  152.283    38.716  139.281 16.978  126.473 18.043  12.80797       24.77552 
1 1 1 -2  5  70 o 96.071   14.536  86.364     23.622  67.085     35.621  101.498    31.561  80.904  23.695  102.454 18.314  -21.55027      29.94791 
1 1 1 -2  5  71 o 38.719   16.675  0.9816     20.428  110.314    45.087  -27.2588   22.915  102.126 25.392  31.341  14.964  70.78486       29.47369 
1 1 1 -2  5  72 o 91.313   21.516  85.272     33.742  90.170     54.410  82.211     43.011  89.261  29.774  87.100  26.171  2.161827       39.64077 
1 1 1 -2  5  73 o 118.552  19.793  140.286    39.527  121.443    62.082  153.133    51.260  100.276 31.683  119.364 25.376  -19.08797      40.59301 
1 1 1 -2  5  74 f 46.703   17.704  17.268     19.857  4.8025     24.084  43.734     35.093  42.755  18.252  65.978  23.799  -23.22277      29.99205 
1 1 1 -2  6  1  o 166.952  11.289  245.183    32.715  245.183    32.715  0.0000     0.0000  166.952 11.289  ?       ?       0.000000       11.28885 
1 1 1 -2  6  2  o 211.053  14.695  392.738    53.816  392.738    53.816  0.0000     0.0000  211.053 14.695  ?       ?       0.000000       14.69527 
1 1 1 -2  6  3  o 171.505  11.257  258.672    33.523  304.337    58.086  235.865    41.050  185.105 18.207  163.318 14.547  21.78726       23.30523 
1 1 1 -2  6  4  o 540.580  19.352  2574.28    182.663 2630.25    316.403 2546.30    223.708 540.579 33.689  536.380 23.886  4.199463       41.29741 
1 1 1 -2  6  5  o 495.640  17.866  2161.34    154.613 2128.05    267.810 2177.99    189.357 486.850 31.677  496.600 21.838  -9.749725      38.47467 
1 1 1 -2  6  6  o 724.470  23.994  4647.24    303.513 4895.19    525.733 4523.29    371.715 732.562 41.270  711.994 29.900  20.56848       50.96264 
1 1 1 -2  6  7  o 661.418  19.250  3854.83    222.317 4101.78    314.409 3607.90    314.398 679.479 26.501  636.492 28.289  42.98712       38.76305 
1 1 1 -2  6  8  o 526.772  18.815  2444.45    173.060 2388.19    299.769 2472.57    211.947 514.690 33.540  528.637 22.962  -13.94739      40.64664 
1 1 1 -2  6  9  o 403.810  15.975  1433.03    112.637 1445.59    137.939 1407.88    195.130 404.923 19.510  396.506 28.372  8.417236       34.43266 
1 1 1 -2  6  10 o 294.164  16.439  763.192    84.100  763.192    84.100  0.0000     0.0000  294.164 16.439  ?       ?       0.000000       16.43944 
1 1 1 -2  6  11 o 573.670  24.454  2919.68    244.952 2919.68    244.952 0.0000     0.0000  573.670 24.454  ?       ?       0.000000       24.45438 
1 1 1 -2  6  12 o 105.942  10.536  99.251     19.232  86.065     23.520  125.852    33.406  98.023  14.152  118.487 16.603  -20.46369      21.81576 
1 1 1 -2  6  13 o 375.714  15.041  1240.27    98.670  1373.83    120.862 973.369    170.857 394.977 17.525  328.442 30.129  66.53452       34.85476 
1 1 1 -2  6  14 o 406.899  18.717  1460.04    132.980 1460.04    132.980 0.0000     0.0000  406.899 18.717  ?       ?       0.000000       18.71700 
1 1 1 -2  6  15 o 405.517  17.972  1449.21    127.251 1449.21    127.251 0.0000     0.0000  405.517 17.972  ?       ?       0.000000       17.97165 
1 1 1 -2  6  16 o 302.556  16.813  808.259    88.471  795.967    125.035 820.584    125.199 298.453 24.202  303.162 23.844  -4.709229      33.97469 
1 1 1 -2  6  17 o 213.434  14.943  402.246    55.336  415.166    78.165  389.265    78.348  215.683 21.023  208.605 21.834  7.078278       30.30937 
1 1 1 -2  6  18 o 163.031  14.380  235.236    40.516  321.738    57.250  148.448    57.345  190.350 17.418  126.787 26.745  63.56235       31.91680 
1 1 1 -2  6  19 o 49.336   13.364  22.064     11.798  32.221     16.740  12.041     16.630  59.498  15.835  43.186  16.240  16.31276       22.68223 
1 1 1 -2  6  20 o 171.684  14.206  260.526    42.204  273.983    59.637  247.026    59.734  175.103 19.857  165.899 21.098  9.203781       28.97298 
1 1 1 -2  6  21 o 536.998  23.880  2556.55    223.910 2619.93    316.561 2493.10    316.751 538.533 33.837  524.800 34.764  13.73254       48.51281 
1 1 1 -2  6  22 o 263.170  12.883  607.282    59.199  649.524    72.555  523.156    102.391 271.495 15.368  241.693 24.606  29.80203       29.01075 
1 1 1 -2  6  23 o 324.335  13.947  922.871    78.981  993.942    96.768  781.053    136.694 336.267 16.481  295.299 26.803  40.96765       31.46465 
1 1 1 -2  6  24 o 292.400  11.631  748.849    59.383  740.220    84.073  757.439    83.889  289.745 16.689  293.146 16.456  -3.401123      23.43710 
1 1 1 -2  6  25 o 450.248  16.886  1781.17    132.749 1726.60    162.589 1890.30    229.915 442.520 21.042  460.218 28.756  -17.69821      35.63245 
1 1 1 -2  6  26 o 62.834   9.9552  35.387     10.558  32.106     15.081  38.539     14.786  59.342  14.645  65.128  13.447  -5.786812      19.88202 
1 1 1 -2  6  27 f 403.820  13.377  1428.80    94.319  1406.51    133.401 1451.08    133.374 399.912 19.104  406.246 18.803  -6.333618      26.80515 
1 1 1 -2  6  28 o 323.063  12.156  913.825    68.573  959.459    97.034  868.299    96.919  330.163 16.888  313.907 17.755  16.25555       24.50449 
1 1 1 -2  6  29 o 399.814  13.735  1400.59    95.888  1445.88    135.675 1355.38    135.536 405.539 19.160  392.050 19.864  13.48981       27.59903 
1 1 1 -2  6  30 o 373.057  12.818  1218.79    83.492  1334.67    118.099 1102.99    118.052 389.890 17.348  353.708 19.186  36.18216       25.86620 
1 1 1 -2  6  31 o 675.167  19.799  4008.88    233.403 4188.97    330.080 3828.78    330.083 687.853 27.483  657.180 28.766  30.67334       39.78412 
1 1 1 -2  6  32 o 523.049  18.757  2404.09    171.303 2491.08    209.877 2230.49    296.496 531.645 22.609  498.945 34.240  32.69995       41.03128 
1 1 1 -2  6  33 o 137.285  11.837  166.191    28.097  153.378    34.710  190.544    47.853  131.364 15.426  145.994 19.241  -14.63026      24.66139 
1 1 1 -2  6  34 o 273.267  13.008  654.035    62.068  689.180    76.155  584.501    107.118 279.882 15.646  256.219 24.231  23.66318       28.84362 
1 1 1 -2  6  35 o 249.737  12.756  547.629    55.439  567.892    68.031  507.574    95.651  254.001 15.412  238.783 23.236  15.21799       27.88282 
1 1 1 -2  6  36 o 558.541  20.081  2745.30    195.837 2755.67    239.726 2724.50    339.553 558.494 24.583  550.756 35.498  7.737488       43.17912 
1 1 1 -2  6  37 f 80.918   15.894  59.437     21.655  0.3756     37.871  88.128     26.396  53.993  22.964  99.010  15.799  -45.01771      27.87390 
1 1 1 -2  6  38 o 477.800  16.349  2004.11    136.392 2125.81    236.433 1943.40    166.977 488.799 27.817  469.797 20.356  19.00214       34.46957 
1 1 1 -2  6  39 o 280.548  12.733  689.515    62.375  623.344    107.917 722.712    76.437  264.628 23.603  286.597 15.330  -21.96936      28.14485 
1 1 1 -2  6  40 o 404.346  14.628  1434.11    103.274 1496.75    179.041 1402.87    126.427 410.480 25.101  399.417 18.128  11.06320       30.96256 
1 1 1 -2  6  41 o 555.588  16.572  2711.77    160.762 2657.46    227.284 2766.14    227.420 548.201 23.745  559.436 23.282  -11.23480      33.25434 
1 1 1 -2  6  42 o 284.739  11.652  710.107    57.932  705.912    81.866  714.316    81.990  282.944 16.644  284.641 16.569  -1.697571      23.48486 
1 1 1 -2  6  43 o 146.436  10.586  188.701    26.885  148.265    37.828  229.971    38.216  128.719 17.266  161.353 13.694  -32.63376      22.03717 
1 1 1 -2  6  44 o 284.440  13.605  709.748    67.567  699.802    82.344  730.247    118.212 281.591 16.825  286.145 23.878  -4.553345      29.21000 
1 1 1 -2  6  45 o 128.478  22.414  150.174    48.454  150.174    48.454  0.0000     0.0000  128.478 22.414  ?       ?       0.000000       22.41430 
1 1 1 -2  6  46 o 368.406  18.937  1200.37    121.404 1285.72    171.508 1114.65    171.874 379.174 26.063  352.208 28.184  26.96600       38.38787 
1 1 1 -2  6  47 o ?        ?       -205.5331  7.5932  0.0000     0.0000  -205.5331  7.5932  ?       ?       ?       ?       0.000000       ?        
1 1 1 -2  6  48 o 542.532  24.080  2619.44    228.114 0.0000     0.0000  2619.44    228.114 ?       ?       542.532 24.080  0.000000       24.08037 
1 1 1 -2  6  49 o 470.191  15.309  1946.44    125.684 1950.32    177.639 1942.54    177.850 468.678 21.707  467.717 21.777  0.9613953      30.74819 
1 1 1 -2  6  50 f 332.704  14.674  974.576    85.243  981.526    104.311 960.604    147.900 332.710 18.023  326.372 26.174  6.338226       31.77856 
1 1 1 -2  6  51 o 62.304   17.415  35.310     19.680  18.178     23.219  79.022     37.089  51.643  19.235  92.308  23.074  -40.66499      30.03987 
1 1 1 -2  6  52 o 66.381   16.888  40.482     19.622  43.031     23.778  35.044     34.737  68.608  19.130  66.820  23.724  1.788544       30.47625 
1 1 1 -2  6  53 o 127.078  13.198  143.788    28.859  122.162    35.352  186.988    49.965  115.986 18.042  143.385 20.544  -27.39929      27.34222 
1 1 1 -2  6  54 o 213.950  11.136  403.672    41.459  391.360    58.400  416.182    58.866  209.514 16.087  216.195 15.701  -6.681381      22.47892 
1 1 1 -2  6  55 o 153.494  10.918  208.363    29.072  177.781    40.632  240.440    41.614  140.402 16.915  164.142 14.674  -23.73985      22.39286 
1 1 1 -2  6  56 o 179.457  10.853  284.664    33.847  253.022    47.162  318.272    48.604  167.825 16.300  188.811 14.863  -20.98651      22.05902 
1 1 1 -2  6  57 o 324.925  14.748  938.676    83.669  962.542    102.184 890.121    145.749 327.158 17.957  308.732 27.319  18.42606       32.69228 
1 1 1 -2  6  58 o 174.967  12.622  272.620    38.301  247.379    46.154  328.455    68.644  165.573 16.171  188.989 21.165  -23.41589      26.63594 
1 1 1 -2  6  59 o 59.781   16.503  33.092     17.791  32.868     20.330  33.827     36.766  59.945  17.988  65.958  24.273  -6.012573      30.21161 
1 1 1 -2  6  60 o 101.719  12.818  93.431     22.261  112.331    31.660  74.951     31.307  110.437 16.961  88.821  20.588  21.61644       26.67475 
1 1 1 -2  6  61 o 368.151  13.167  1210.09    84.637  1245.66    119.777 1174.63    119.614 369.024 18.649  357.825 19.215  11.19870       26.77713 
1 1 1 -2  6  62 o 66.859   20.467  41.849     26.131  0.0000     0.0000  41.849     26.131  ?       ?       66.859  20.467  0.000000       20.46656 
1 1 1 -2  6  63 o 31.336   14.548  -15.4838   19.091  0.0000     0.0000  -15.4838   19.091  ?       ?       31.336  14.548  0.000000       14.54768 
1 1 1 -2  6  64 o 106.010  18.427  106.465    32.870  0.0000     0.0000  106.465    32.870  ?       ?       106.010 18.427  0.000000       18.42679 
1 1 1 -2  6  65 o 54.865   18.478  26.892     20.958  37.846     25.229  2.5011     37.647  63.403  20.215  52.120  22.541  11.28354       30.27768 
1 1 1 -2  6  66 o 68.464   18.840  45.485     23.231  36.703     28.241  63.862     40.853  63.011  21.449  79.687  25.757  -16.67592      33.51870 
1 1 1 -2  6  67 o 68.022   18.622  45.127     22.765  67.382     27.355  -5.0064    41.057  82.870  19.270  51.280  22.810  31.58988       29.85967 
1 1 1 -2  6  68 o 125.315  14.088  145.486    30.292  185.415    53.141  126.267    36.868  135.539 23.294  113.912 19.220  21.62623       30.19995 
1 1 1 -2  6  69 o 45.645   17.466  15.129     19.441  -2.2829    34.876  22.978     23.417  47.901  21.178  52.472  19.362  -4.570690      28.69448 
1 1 1 -2  6  70 o 66.442   18.282  43.787     21.875  64.711     42.171  36.084     25.587  78.042  26.212  61.063  20.418  16.97850       33.22599 
1 1 1 -2  6  71 o 32.972   14.301  -0.4154    15.240  7.6801     22.763  -6.9931    20.518  43.346  18.080  35.168  15.845  8.177422       24.04112 
1 1 1 -2  6  72 o 28.913   13.612  -16.5658   17.715  -11.4402   21.476  -27.4780   31.336  34.303  15.746  37.869  17.913  -3.565708      23.84931 
1 1 1 -2  7  1  o 93.430   8.5112  77.015     13.732  86.937     15.892  47.765     27.287  99.222  9.2805  72.545  20.587  26.67709       22.58171 
1 1 1 -2  7  2  o 228.040  12.158  457.431    48.236  485.552    59.096  401.303    83.490  234.602 14.498  211.432 22.985  23.17026       27.17558 
1 1 1 -2  7  3  o 406.161  13.694  1448.86    97.114  1532.62    137.359 1365.15    137.321 416.618 18.882  392.407 20.109  24.21103       27.58496 
1 1 1 -2  7  4  o 324.517  12.120  923.717    68.673  967.292    97.148  880.196    97.089  330.942 16.868  315.466 17.697  15.47580       24.44840 
1 1 1 -2  7  5  o 75.054   9.1979  50.045     11.802  57.955     16.837  42.406     16.547  80.355  12.399  68.207  14.349  12.14812       18.96359 
1 1 1 -2  7  6  o 358.404  12.714  1127.19    79.565  1211.99    112.549 1042.46    112.495 370.823 17.382  343.126 18.849  27.69687       25.64033 
1 1 1 -2  7  7  o 288.984  11.413  732.077    57.591  772.769    81.474  691.442    81.417  295.938 15.825  279.705 16.748  16.23373       23.04133 
1 1 1 -2  7  8  o 367.851  15.171  1189.84    97.442  1283.52    168.733 1142.97    119.357 378.731 25.667  359.294 19.094  19.43680       31.99039 
1 1 1 -2  7  9  o 359.768  14.842  1137.70    93.234  1155.94    114.160 1101.16    161.563 362.053 18.058  350.388 26.606  11.66504       32.15592 
1 1 1 -2  7  10 o 763.125  25.515  5184.96    339.976 5031.29    416.350 5492.44    588.951 747.658 31.893  769.775 44.001  -22.11682      54.34338 
1 1 1 -2  7  11 o 232.727  12.171  476.225    49.284  478.524    60.326  471.610    85.462  232.879 14.914  229.868 21.544  3.011078       26.20261 
1 1 1 -2  7  12 o 35.401   10.376  11.157     6.8282  12.250     8.2339  8.7497     12.219  37.412  11.495  36.973  13.917  0.4385185      18.05051 
1 1 1 -2  7  13 f 336.205  14.150  992.507    83.067  968.169    101.694 1041.31    143.997 331.073 17.655  341.655 24.296  -10.58209      30.03392 
1 1 1 -2  7  14 o 107.556  10.796  102.335    20.002  97.126     24.424  112.941    34.853  104.313 13.744  111.763 18.507  -7.450027      23.05276 
1 1 1 -2  7  15 o 610.155  17.511  3277.54    186.561 3373.01    215.415 2991.08    373.155 618.208 19.956  573.304 37.483  44.90399       42.46487 
1 1 1 -2  7  16 o 264.621  10.725  613.209    49.556  629.661    57.220  563.831    99.128  268.025 12.227  251.404 22.831  16.62131       25.89873 
1 1 1 -2  7  17 o 274.449  15.977  664.091    76.233  664.091    76.233  0.0000     0.0000  274.449 15.977  ?       ?       0.000000       15.97722 
1 1 1 -2  7  18 f 295.041  13.239  763.228    68.203  785.924    83.601  718.062    117.936 298.667 16.090  283.824 24.023  14.84311       28.91395 
1 1 1 -2  7  19 o 265.223  12.880  616.494    59.649  637.095    73.136  575.567    103.085 268.926 15.643  254.093 23.501  14.83231       28.23112 
1 1 1 -2  7  20 o 418.982  16.030  1541.31    117.273 1632.36    143.676 1359.57    202.989 430.666 19.107  389.648 30.068  41.01846       35.62536 
1 1 1 -2  7  21 o 93.691   11.779  78.065     18.843  80.769     23.101  72.688     32.572  94.916  14.390  89.053  21.245  5.863319       25.65947 
1 1 1 -2  7  22 o 360.930  14.708  1142.47    92.690  1179.77    113.554 1068.00    160.452 366.397 17.750  346.181 26.752  20.21524       32.10509 
1 1 1 -2  7  23 o 355.632  12.841  1107.91    79.740  1141.31    112.832 1074.58    112.706 360.375 17.931  349.119 18.555  11.25687       25.80393 
1 1 1 -2  7  24 o 227.745  10.428  453.817    41.467  476.061    58.773  431.770    58.513  232.570 14.546  221.353 15.232  11.21713       21.06200 
1 1 1 -2  7  25 o 162.248  9.9528  231.139    28.060  243.662    39.803  218.767    39.563  166.175 13.844  157.300 14.570  8.875092       20.09818 
1 1 1 -2  7  26 o 233.552  11.378  477.431    46.400  446.885    65.648  507.923    65.589  224.997 16.832  240.108 15.732  -15.11096      23.03920 
1 1 1 -2  7  27 o 589.856  20.734  3063.28    213.550 3067.68    261.584 3054.48    369.766 589.033 25.434  582.837 36.519  6.195679       44.50266 
1 1 1 -2  7  28 o 544.608  19.613  2609.13    186.507 2651.73    228.472 2524.02    322.903 548.039 23.876  530.193 35.078  17.84631       42.43264 
1 1 1 -2  7  29 o 195.340  15.087  336.613    51.058  336.613    51.058  0.0000     0.0000  195.340 15.087  ?       ?       0.000000       15.08657 
1 1 1 -2  7  30 o 453.883  17.318  1809.44    137.247 1788.18    168.105 1851.94    237.683 450.499 21.371  455.494 30.054  -4.994812      36.87748 
1 1 1 -2  7  31 o 420.005  14.322  1546.57    105.033 1460.33    148.463 1632.99    148.615 406.623 20.982  430.764 19.759  -24.14111      28.82107 
1 1 1 -2  7  32 o 666.255  22.564  3916.74    262.499 3718.15    321.405 4314.56    454.913 647.135 28.444  691.767 37.805  -44.63129      47.31093 
1 1 1 -2  7  33 o 260.402  13.224  595.728    59.932  620.249    73.257  546.104    104.214 265.360 15.884  247.370 24.448  17.98975       29.15446 
1 1 1 -2  7  34 f 119.551  10.456  126.026    21.607  132.574    30.219  119.176    30.908  122.109 14.454  115.477 15.739  6.632484       21.36851 
1 1 1 -2  7  35 o 146.788  15.456  191.176    39.019  0.0000     0.0000  191.176    39.019  ?       ?       146.788 15.456  0.000000       15.45609 
1 1 1 -2  7  36 o 324.449  14.367  923.394    81.389  819.994    141.066 974.989    99.647  302.805 26.963  332.611 17.217  -29.80539      31.99090 
1 1 1 -2  7  37 o 177.717  14.281  278.832    43.941  299.946    63.033  258.871    61.288  183.428 20.005  170.040 21.096  13.38808       29.07273 
1 1 1 -2  7  38 o 40.292   14.501  11.912     13.020  12.027     21.513  11.846     16.355  46.976  18.267  42.857  16.108  4.118652       24.35420 
1 1 1 -2  7  39 o 478.936  16.903  2017.19    141.357 2123.86    244.941 1963.93    173.089 487.243 28.920  471.637 21.018  15.60538       35.75127 
1 1 1 -2  7  40 o 213.950  10.586  400.823    39.546  393.123    55.729  408.634    56.127  211.011 15.228  215.184 15.033  -4.172745      21.39787 
1 1 1 -2  7  41 o 206.128  15.129  375.282    54.071  377.351    76.494  373.217    76.442  205.468 21.647  204.302 21.764  1.165848       30.69644 
1 1 1 -2  7  42 o 158.335  21.509  225.731    57.926  225.731    57.926  0.0000     0.0000  158.335 21.509  ?       ?       0.000000       21.50911 
1 1 1 -2  7  43 o 200.792  15.212  356.501    52.936  303.497    72.434  417.263    77.554  183.559 23.112  216.213 20.799  -32.65402      31.09325 
1 1 1 -2  7  44 o 337.156  14.147  998.972    83.285  993.213    143.385 1001.90    102.314 333.050 24.835  336.633 17.467  -3.583588      30.36225 
1 1 1 -2  7  45 o 330.861  12.359  960.854    71.399  948.877    100.981 972.826    100.965 327.403 17.730  331.578 17.501  -4.174866      24.91280 
1 1 1 -2  7  46 o 332.705  12.066  971.726    70.097  987.985    99.052  955.415    99.211  334.147 17.034  328.495 17.359  5.652435       24.32002 
1 1 1 -2  7  47 o 272.125  11.619  650.090    55.210  637.642    77.742  662.757    78.420  268.223 16.682  273.517 16.497  -5.294006      23.46195 
1 1 1 -2  7  48 o 198.323  10.794  346.181    37.239  320.755    51.914  373.130    53.446  189.985 15.793  205.167 15.024  -15.18213      21.79730 
1 1 1 -2  7  49 o 90.111   15.307  73.634     23.222  60.014     27.098  111.294    45.059  80.583  19.475  109.300 24.245  -28.71702      31.09796 
1 1 1 -2  7  50 f 115.722  13.140  119.490    26.080  89.443     30.975  192.660    48.337  98.740  18.650  145.843 19.468  -47.10293      26.95926 
1 1 1 -2  7  51 o 127.893  12.925  145.673    28.467  135.060    34.066  170.237    51.827  122.358 16.354  135.884 22.640  -13.52628      27.92917 
1 1 1 -2  7  52 o 256.549  13.042  582.702    58.231  520.255    70.778  713.520    102.441 241.221 16.911  280.968 21.034  -39.74780      26.98910 
1 1 1 -2  7  53 o 253.826  13.416  571.671    59.250  593.110    72.528  528.654    102.735 257.615 16.206  239.387 24.945  18.22847       29.74722 
1 1 1 -2  7  54 o 63.782   16.313  37.683     18.240  35.567     21.807  42.611     33.282  62.451  18.605  69.771  23.287  -7.320171      29.80679 
1 1 1 -2  7  55 o 264.518  13.594  623.020    62.573  636.421    76.574  596.088    108.554 266.110 16.562  253.027 24.893  13.08267       29.89916 
1 1 1 -2  7  56 o 157.431  12.472  221.189    34.004  206.619    41.271  251.986    60.003  151.102 15.881  164.853 21.347  -13.75104      26.60605 
1 1 1 -2  7  57 o 142.494  11.175  180.886    27.581  172.589    39.049  189.146    38.961  137.525 16.597  144.363 15.710  -6.837570      22.85352 
1 1 1 -2  7  58 o 78.350   13.792  56.401     18.179  56.755     24.946  56.000     26.546  77.437  18.668  76.764  19.705  0.6731110      27.14359 
1 1 1 -2  7  59 o 139.303  11.238  173.519    27.102  171.290    38.288  175.757    38.368  136.624 16.376  138.497 16.171  -1.872940      23.01452 
1 1 1 -2  7  60 o 56.679   16.119  29.985     16.709  36.601     23.743  23.493     23.520  62.756  19.558  53.964  19.481  8.792423       27.60513 
1 1 1 -2  7  61 o 58.278   17.976  31.544     20.115  20.949     37.531  35.813     23.826  59.278  23.785  62.038  19.631  -2.759075      30.83991 
1 1 1 -2  7  62 o 63.632   17.223  38.620     19.603  13.292     32.449  53.176     24.599  53.158  21.824  74.162  18.932  -21.00434      28.89069 
1 1 1 -2  7  63 o 128.754  13.405  151.589    29.694  152.057    50.480  151.341    36.719  123.011 24.364  126.968 16.989  -3.957497      29.70231 
1 1 1 -2  7  64 o 33.547   14.687  -2.3239    16.398  -25.6963   25.899  13.315     21.185  34.635  16.353  45.947  18.052  -11.31228      24.35765 
1 1 1 -2  7  65 o 101.694  18.584  100.313    31.782  0.0000     0.0000  100.313    31.782  ?       ?       101.694 18.584  0.000000       18.58360 
1 1 1 -2  7  66 o 62.531   18.020  38.160     20.750  72.731     42.169  27.114     23.836  82.890  26.103  55.248  19.648  27.64177       32.67183 
1 1 1 -2  7  67 o 59.165   18.536  33.943     21.294  -1.0538    42.647  45.566     24.577  52.487  23.301  67.545  19.653  -15.05795      30.48292 
1 1 1 -2  7  68 o 59.328   19.058  34.354     22.392  19.940     46.639  38.671     25.526  60.236  25.546  62.545  20.371  -2.309044      32.67396 
1 1 1 -2  7  69 o 48.037   17.755  19.342     19.710  40.622     40.107  12.567     22.631  65.509  25.083  45.599  18.409  19.91071       31.11292 
1 1 1 -2  7  70 o 50.979   18.328  23.492     20.794  23.034     25.984  24.308     34.677  52.571  20.175  56.433  22.786  -3.862034      30.43358 
1 1 1 -2  8  1  o 159.608  10.819  224.110    29.972  249.658    36.784  173.639    51.701  168.285 12.610  138.478 22.127  29.80620       25.46839 
1 1 1 -2  8  2  o 304.062  24.192  824.506    127.379 824.506    127.379 0.0000     0.0000  304.062 24.192  ?       ?       0.000000       24.19234 
1 1 1 -2  8  3  o 316.584  17.275  884.374    95.134  912.893    134.493 855.815    134.587 320.045 24.247  309.589 25.114  10.45654       34.90891 
1 1 1 -2  8  4  o 240.061  15.610  508.384    65.077  590.042    91.984  426.553    92.082  257.766 20.610  218.023 24.620  39.74344       32.10754 
1 1 1 -2  8  5  o 159.098  13.790  223.699    37.930  203.924    53.540  243.624    53.741  150.605 20.926  165.239 18.971  -14.63474      28.24466 
1 1 1 -2  8  6  o 203.033  11.787  362.348    41.605  372.023    50.981  343.053    71.993  205.410 14.304  195.981 21.385  9.428314       25.72791 
1 1 1 -2  8  7  o 228.713  12.134  459.621    48.282  456.432    59.128  466.003    83.641  227.536 14.966  228.825 21.174  -1.288208      25.92938 
1 1 1 -2  8  8  o 148.301  13.282  194.355    34.029  194.355    34.029  0.0000     0.0000  148.301 13.282  ?       ?       0.000000       13.28227 
1 1 1 -2  8  9  o 173.480  13.733  265.551    41.258  265.551    41.258  0.0000     0.0000  173.480 13.733  ?       ?       0.000000       13.73302 
1 1 1 -2  8  10 o 286.140  11.278  716.944    56.348  696.410    65.060  778.585    112.724 281.856 13.220  296.175 21.954  -14.31909      25.62666 
1 1 1 -2  8  11 o 204.873  9.8781  367.265    35.336  378.479    40.821  333.739    70.580  207.600 11.304  193.385 21.253  14.21481       24.07228 
1 1 1 -2  8  12 o 516.459  15.989  2342.20    144.186 2347.18    166.487 2327.29    288.392 516.509 18.460  509.213 32.607  7.295837       37.46980 
1 1 1 -2  8  13 o 477.260  14.845  1998.43    123.706 1955.14    142.831 2128.37    247.477 471.638 17.344  488.284 29.160  -16.64508      33.92822 
1 1 1 -2  8  14 o 845.233  23.694  6314.74    349.680 6314.03    403.764 6316.89    699.422 843.430 27.417  828.025 48.589  15.40515       55.79058 
1 1 1 -2  8  15 o 308.647  11.563  834.114    62.317  853.828    71.958  774.977    124.632 312.135 13.203  295.053 24.411  17.08209       27.75285 
1 1 1 -2  8  16 o 296.502  11.412  769.672    59.084  802.608    68.227  670.901    118.151 302.661 12.910  274.294 24.942  28.36722       28.08529 
1 1 1 -2  8  17 o 783.419  21.569  5411.77    295.038 5350.61    340.664 5595.31    590.162 777.622 25.090  783.890 43.285  -6.268066      50.03098 
1 1 1 -2  8  18 o 285.574  11.345  713.938    56.572  738.173    65.271  640.758    113.420 290.266 12.878  268.131 24.496  22.13559       27.67547 
1 1 1 -2  8  19 o 307.610  13.864  829.472    74.463  847.623    91.133  793.017    129.157 310.201 16.889  298.405 25.019  11.79663       30.18636 
1 1 1 -2  8  20 o 556.834  18.902  2727.40    183.775 3015.91    225.154 2151.55    318.092 584.755 22.052  487.867 37.632  96.88733       43.61695 
1 1 1 -2  8  21 o 322.991  13.737  914.421    77.473  976.416    95.016  791.454    133.817 333.487 16.317  297.882 25.988  35.60513       30.68626 
1 1 1 -2  8  22 o 179.153  11.255  282.061    35.027  320.525    43.111  207.353    60.083  190.826 13.016  151.512 23.470  39.31430       26.83801 
1 1 1 -2  8  23 o 364.667  14.831  1166.45    94.437  1237.84    115.739 1024.24    163.350 375.293 17.662  338.624 27.875  36.66937       32.99947 
1 1 1 -2  8  24 o 258.142  13.048  585.385    58.619  568.381    71.847  619.240    101.378 253.913 16.292  264.019 22.197  -10.10597      27.53406 
1 1 1 -2  8  25 o 296.552  13.653  770.916    70.698  750.846    86.633  810.926    122.321 291.843 17.075  302.096 23.371  -10.25345      28.94456 
1 1 1 -2  8  26 o 424.896  16.444  1585.64    121.996 1688.04    149.403 1380.75    211.334 437.862 19.542  392.335 31.105  45.52698       36.73373 
1 1 1 -2  8  27 o 375.104  15.272  1234.87    100.025 1243.39    122.474 1217.81    173.338 375.911 18.659  369.498 27.055  6.412903       32.86561 
1 1 1 -2  8  28 o 150.547  11.970  199.763    31.206  230.187    38.089  137.640    54.427  161.464 13.638  122.327 26.266  39.13609       29.59576 
1 1 1 -2  8  29 o 371.643  12.978  1210.58    84.219  1305.73    119.163 1115.62    119.045 385.320 17.712  355.426 19.254  29.89493       26.16138 
1 1 1 -2  8  30 o 257.660  13.158  583.496    59.000  555.507    102.424 597.395    72.177  249.477 23.802  260.315 15.957  -10.83730      28.65551 
1 1 1 -2  8  31 o 410.588  15.606  1480.57    111.880 1465.11    193.834 1488.29    137.006 405.014 27.573  411.053 19.089  -6.038757      33.53608 
1 1 1 -2  8  32 o 62.425   15.258  35.582     16.490  -12.8694   29.067  58.578     20.025  42.493  19.025  80.440  14.803  -37.94657      24.10557 
1 1 1 -2  8  33 o 558.979  19.084  2753.56    186.260 2761.17    322.650 2749.76    228.108 553.454 33.546  557.271 23.443  -3.816284      40.92570 
1 1 1 -2  8  34 o 156.656  12.081  216.352    32.792  224.138    56.963  212.493    40.103  157.927 21.192  154.831 15.023  3.096237       25.97681 
1 1 1 -2  8  35 o 235.826  12.658  489.065    51.930  417.642    89.757  525.002    63.667  215.681 24.255  244.012 15.016  -28.33119      28.52663 
1 1 1 -2  8  36 o 169.391  15.410  254.250    45.079  0.0000     0.0000  254.250    45.079  ?       ?       169.391 15.410  0.000000       15.40973 
1 1 1 -2  8  37 o 411.651  16.290  1491.19    117.086 1609.68    202.606 1431.78    143.469 423.770 27.531  401.937 20.511  21.83307       34.33148 
1 1 1 -2  8  38 o 270.996  13.260  644.690    62.745  682.431    108.500 625.727    76.909  276.478 22.675  266.056 16.639  10.42245       28.12490 
1 1 1 -2  8  39 o 292.198  13.675  750.001    69.771  752.772    120.574 748.606    85.549  289.950 24.033  290.978 16.911  -1.027557      29.38616 
1 1 1 -2  8  40 o 300.866  12.007  794.249    63.077  731.242    89.004  857.826    89.406  287.288 17.831  311.563 16.493  -24.27524      24.28949 
1 1 1 -2  8  41 o 413.254  14.142  1501.98    102.042 1521.31    144.131 1482.56    144.487 414.412 19.919  409.005 20.232  5.406372       28.39176 
1 1 1 -2  8  42 o 218.620  12.513  421.192    47.567  351.981    83.422  454.534    57.901  196.977 24.805  226.744 14.704  -29.76678      28.83589 
1 1 1 -2  8  43 f 83.079   15.727  62.847     21.978  43.702     40.862  70.640     26.070  73.635  25.768  87.862  17.607  -14.22722      31.20854 
1 1 1 -2  8  44 o 135.264  10.608  161.528    24.854  187.586    35.827  137.355    34.507  145.220 14.316  123.636 16.388  21.58408       21.76028 
1 1 1 -2  8  45 o 127.235  10.942  143.206    24.072  132.237    34.677  153.407    33.443  121.110 16.855  131.025 14.882  -9.915161      22.48480 
1 1 1 -2  8  46 o 148.897  10.817  195.797    27.930  173.978    37.788  222.071    41.466  139.363 15.809  157.787 15.240  -18.42374      21.95859 
1 1 1 -2  8  47 o 211.788  10.910  395.429    40.208  353.709    56.019  439.760    57.746  199.071 16.258  222.458 14.953  -23.38742      22.08924 
1 1 1 -2  8  48 o 85.842   12.631  66.360     18.366  76.037     24.800  54.608     27.330  91.244  16.158  76.670  20.150  14.57388       25.82852 
1 1 1 -2  8  49 o 130.222  15.269  152.540    34.058  152.540    34.058  0.0000     0.0000  130.222 15.269  ?       ?       0.000000       15.26851 
1 1 1 -2  8  50 o 73.233   18.168  49.931     23.119  49.931     23.119  0.0000     0.0000  73.233  18.168  ?       ?       0.000000       18.16753 
1 1 1 -2  8  51 o 101.333  16.578  94.078     28.318  94.078     28.318  0.0000     0.0000  101.333 16.578  ?       ?       0.000000       16.57839 
1 1 1 -2  8  52 o 282.564  17.033  719.665    83.644  719.665    83.644  0.0000     0.0000  282.564 17.033  ?       ?       0.000000       17.03304 
1 1 1 -2  8  53 o 51.911   15.775  24.361     15.563  23.173     21.342  25.710     22.743  53.192  18.622  55.515  19.235  -2.323746      26.77260 
1 1 1 -2  8  54 o 34.761   14.230  4.0998     13.746  18.885     17.981  -16.6919   21.322  48.414  17.082  33.407  15.461  15.00668       23.03988 
1 1 1 -2  8  55 o 157.631  10.783  221.299    29.501  207.381    40.871  236.440    42.627  150.891 15.745  161.386 15.310  -10.49434      21.96127 
1 1 1 -2  8  56 o 125.255  11.151  140.535    24.133  137.275    33.041  144.263    35.332  122.232 15.855  125.063 16.589  -2.831505      22.94717 
1 1 1 -2  8  57 o 164.697  10.649  242.143    30.460  203.653    41.952  285.054    44.296  148.705 16.432  177.173 14.444  -28.46832      21.87795 
1 1 1 -2  8  58 o 70.253   14.746  46.298     17.512  45.568     23.420  47.224     26.372  68.910  18.898  70.053  20.351  -1.143013      27.77255 
1 1 1 -2  8  59 o 154.563  10.599  214.109    28.432  157.563    39.000  278.248    41.536  129.429 17.723  174.838 13.716  -45.40900      22.41044 
1 1 1 -2  8  60 o 115.229  12.258  120.869    24.285  94.899     34.342  146.847    34.347  98.342  20.657  125.419 16.053  -27.07667      26.16079 
1 1 1 -2  8  61 o 155.574  13.226  221.333    35.588  188.391    61.141  238.212    43.765  134.368 26.997  159.875 15.888  -25.50728      31.32539 
1 1 1 -2  8  62 o 91.893   19.877  83.567     30.965  0.0000     0.0000  83.567     30.965  ?       ?       91.893  19.877  0.000000       19.87678 
1 1 1 -2  8  63 o 76.866   20.408  59.492     27.850  0.0000     0.0000  59.492     27.850  ?       ?       76.866  20.408  0.000000       20.40833 
1 1 1 -2  8  64 o 170.937  13.108  269.336    38.826  241.092    65.683  284.505    48.135  150.979 25.845  173.456 16.076  -22.47765      30.43696 
1 1 1 -2  8  65 o 133.531  13.655  166.263    31.389  150.149    52.484  175.236    39.165  117.381 26.264  134.847 17.012  -17.46601      31.29234 
1 1 1 -2  8  66 o 110.855  12.427  114.125    23.640  92.533     33.212  136.298    33.656  94.898  20.632  118.569 16.721  -23.67161      26.55697 
1 1 1 -2  8  67 o 62.022   15.533  37.901     16.785  2.4522     22.474  82.619     25.242  40.411  17.446  91.831  16.341  -51.41982      23.90428 
1 1 1 -2  8  68 o 46.020   16.252  19.068     16.280  4.4520     22.801  34.271     23.254  41.325  17.703  58.414  19.464  -17.08859      26.31019 
1 1 1 -2  9  1  o 458.462  15.016  1844.74    120.207 1833.52    138.828 1878.34    240.289 456.652 17.411  458.024 30.216  -1.371399      34.87299 
1 1 1 -2  9  2  o 346.270  14.571  1052.01    88.096  1029.84    107.918 1096.28    152.523 341.665 18.155  350.935 25.056  -9.269318      30.94181 
1 1 1 -2  9  3  o 87.861   9.3330  68.290     14.099  66.383     20.056  70.152     19.823  85.939  13.835  88.496  13.235  -2.557716      19.14650 
1 1 1 -2  9  4  o 121.223  10.865  129.669    22.753  141.691    28.000  106.298    39.040  126.507 12.854  107.912 21.475  18.59531       25.02783 
1 1 1 -2  9  5  o 312.329  13.368  855.183    72.902  886.855    89.345  792.086    126.105 317.351 16.177  298.191 24.435  19.16010       29.30467 
1 1 1 -2  9  6  o 524.812  16.341  2419.48    149.740 2468.42    211.781 2370.56    211.747 528.512 22.949  517.800 23.420  10.71185       32.78992 
1 1 1 -2  9  7  o 402.324  13.468  1419.08    94.612  1557.76    133.848 1280.60    133.755 420.793 18.217  380.674 20.195  40.11905       27.19775 
1 1 1 -2  9  8  o 375.074  15.234  1234.81    99.768  1288.90    172.961 1207.83    122.135 380.354 26.203  369.936 18.972  10.41846       32.35042 
1 1 1 -2  9  9  o 195.903  10.068  336.723    34.322  321.017    39.560  384.532    69.020  191.073 11.917  208.118 19.210  -17.04521      22.60631 
1 1 1 -2  9  10 o 401.705  13.328  1414.59    93.484  1363.98    107.880 1567.20    187.317 394.142 15.676  419.739 25.682  -25.59659      30.08804 
1 1 1 -2  9  11 o 124.886  9.2596  137.182    20.048  132.465    22.905  152.631    41.450  122.538 10.816  130.391 18.745  -7.853233      21.64165 
1 1 1 -2  9  12 o 330.820  13.129  959.302    75.839  874.471    92.670  1131.34    131.970 314.996 16.911  357.499 21.237  -42.50333      27.14742 
1 1 1 -2  9  13 o 359.226  18.293  1138.28    114.359 1138.28    114.359 0.0000     0.0000  359.226 18.293  ?       ?       0.000000       18.29272 
1 1 1 -2  9  14 o 163.235  14.248  235.490    40.202  235.490    40.202  0.0000     0.0000  163.235 14.248  ?       ?       0.000000       14.24780 
1 1 1 -2  9  15 o 602.921  25.555  3222.58    269.026 3222.58    269.026 0.0000     0.0000  602.921 25.555  ?       ?       0.000000       25.55473 
1 1 1 -2  9  16 o 361.851  18.452  1155.30    116.196 1155.30    116.196 0.0000     0.0000  361.851 18.452  ?       ?       0.000000       18.45201 
1 1 1 -2  9  17 o 931.494  35.916  7809.61    584.162 7809.61    584.162 0.0000     0.0000  931.494 35.916  ?       ?       0.000000       35.91622 
1 1 1 -2  9  18 o 131.140  14.529  152.733    32.710  152.733    32.710  0.0000     0.0000  131.140 14.529  ?       ?       0.000000       14.52908 
1 1 1 -2  9  19 f 380.702  14.865  1272.18    98.811  1229.18    120.904 1358.66    171.468 373.656 18.531  390.669 25.272  -17.01303      31.33846 
1 1 1 -2  9  20 f 302.241  13.787  801.265    72.760  794.835    88.980  814.239    126.399 300.181 17.047  302.297 24.148  -2.116211      29.55894 
1 1 1 -2  9  21 o 504.362  18.434  2239.74    162.342 2294.78    281.247 2212.24    198.805 505.293 32.043  500.149 22.765  5.144836       39.30653 
1 1 1 -2  9  22 o 399.656  15.252  1402.70    106.433 1517.85    184.450 1345.22    130.317 412.749 25.721  390.730 19.101  22.01892       32.03815 
1 1 1 -2  9  23 o 506.205  22.696  2266.82    200.602 2194.37    283.603 2339.37    283.785 493.402 33.111  510.016 32.030  -16.61380      46.06773 
1 1 1 -2  9  24 o 551.794  24.137  2698.87    232.552 2548.54    328.791 2849.35    328.966 530.404 35.710  562.062 33.675  -31.65887      49.08360 
1 1 1 -2  9  25 o 166.834  11.846  245.125    34.284  255.151    59.793  240.214    41.846  168.765 20.727  164.756 14.701  4.008865       25.41096 
1 1 1 -2  9  26 o 113.564  10.981  114.009    21.502  106.575    37.983  117.516    26.084  108.065 20.886  114.997 13.232  -6.931801      24.72423 
1 1 1 -2  9  27 o 122.435  12.032  132.652    25.390  107.674    43.986  145.133    31.093  108.134 23.930  127.804 14.172  -19.66991      27.81158 
1 1 1 -2  9  28 o 244.650  15.800  528.434    67.134  516.162    94.772  540.795    95.113  240.317 22.861  246.152 22.374  -5.834549      31.98779 
1 1 1 -2  9  29 o 19.295   9.1253  -9.6111    8.1263  -36.0912   15.077  1.2319     9.6476  21.427  10.626  28.165  11.761  -6.737358      15.85080 
1 1 1 -2  9  30 o 443.776  20.073  1740.44    155.535 0.0000     0.0000  1740.44    155.535 ?       ?       443.776 20.073  0.000000       20.07251 
1 1 1 -2  9  31 o 230.831  12.420  468.776    49.873  421.232    87.085  491.979    60.837  216.601 23.398  236.113 14.832  -19.51199      27.70267 
1 1 1 -2  9  32 o 454.001  16.640  1815.78    131.906 1799.05    228.585 1824.12    161.511 446.757 29.469  454.028 20.373  -7.271027      35.82543 
1 1 1 -2  9  33 o 111.289  13.137  110.248    25.035  127.694    43.681  101.714    30.551  118.157 21.981  106.118 17.067  12.03850       27.82898 
1 1 1 -2  9  34 o 123.060  12.194  134.192    25.856  160.196    44.377  120.828    31.813  133.173 19.677  116.026 16.140  17.14694       25.44997 
1 1 1 -2  9  35 o 455.123  17.092  1828.07    135.825 1739.80    166.041 2006.61    236.139 442.618 21.484  471.374 28.829  -28.75543      35.95409 
1 1 1 -2  9  36 o 369.448  12.606  1199.05    81.320  1263.33    114.999 1134.76    115.010 378.159 17.416  357.680 18.478  20.47919       25.39244 
1 1 1 -2  9  37 f ?        ?       -278.9688  6.8767  0.0000     0.0000  -278.9688  6.8767  ?       ?       ?       ?       0.000000       ?        
1 1 1 -2  9  38 f 223.434  15.423  442.437    59.801  0.0000     0.0000  442.437    59.801  ?       ?       223.434 15.423  0.000000       15.42286 
1 1 1 -2  9  39 o 159.839  10.809  225.285    29.990  226.111    42.439  224.461    42.386  159.316 15.450  158.720 15.492  0.5963745      21.87934 
1 1 1 -2  9  40 o 126.999  11.101  142.748    24.369  105.045    34.114  182.033    34.822  107.222 18.913  143.001 14.131  -35.77898      23.60881 
1 1 1 -2  9  41 o 223.205  10.954  437.795    42.693  394.569    60.062  481.939    60.696  210.423 16.479  233.063 14.995  -22.64049      22.27994 
1 1 1 -2  9  42 o 104.052  11.467  96.387     20.488  90.681     28.570  102.428    29.396  99.738  17.016  106.298 16.363  -6.560326      23.60697 
1 1 1 -2  9  43 o 211.500  10.925  394.593    40.208  353.547    56.610  436.381    57.120  198.846 16.452  221.507 14.855  -22.66145      22.16622 
1 1 1 -2  9  44 o 308.439  14.095  842.356    75.912  829.193    92.837  868.915    131.870 304.382 17.542  307.957 24.733  -3.574768      30.32220 
1 1 1 -2  9  45 o 109.952  12.953  108.350    24.391  99.254     29.972  126.187    41.971  104.175 17.069  116.482 21.425  -12.30685      27.39322 
1 1 1 -2  9  46 o 65.894   16.272  40.274     18.611  30.640     22.937  58.841     31.843  59.179  19.312  79.239  22.153  -20.05962      29.38902 
1 1 1 -2  9  47 o 266.077  16.675  636.639    77.079  636.639    77.079  0.0000     0.0000  266.077 16.675  ?       ?       0.000000       16.67512 
1 1 1 -2  9  48 o 81.340   18.486  62.043     25.660  62.333     34.883  61.701     37.879  81.146  23.358  80.987  24.610  0.1587830      33.93019 
1 1 1 -2  9  49 o 210.288  12.720  394.529    46.486  376.994    56.624  430.781    81.417  204.274 16.003  215.369 21.958  -11.09509      27.17070 
1 1 1 -2  9  50 o 71.765   15.452  47.969     18.790  51.817     22.073  37.844     35.805  74.246  17.340  67.242  24.064  7.004051       29.66055 
1 1 1 -2  9  51 o 123.786  12.713  138.067    27.087  116.025    32.514  188.066    48.970  111.904 17.190  141.595 20.395  -29.69170      26.67337 
1 1 1 -2  9  52 o 91.606   12.633  76.313     19.669  61.946     24.888  100.215    32.100  80.809  18.089  103.179 18.497  -22.36925      25.87233 
1 1 1 -2  9  53 o 213.132  12.868  408.740    47.664  383.602    56.360  471.879    89.321  204.867 15.880  221.794 23.418  -16.92601      28.29457 
1 1 1 -2  9  54 o 76.053   16.388  54.755     21.120  44.995     23.295  99.821     50.056  68.491  18.874  98.525  27.856  -30.03355      33.64825 
1 1 1 -2  9  55 o 60.966   15.692  35.268     16.802  24.664     21.006  54.103     27.995  53.315  18.485  74.404  20.761  -21.08938      27.79778 
1 1 1 -2  9  56 o 65.630   15.479  40.996     17.451  34.550     22.935  49.860     26.894  60.563  19.270  71.356  20.500  -10.79380      28.13555 
1 1 1 -2  9  57 o 134.044  13.255  164.651    30.616  122.048    51.194  188.372    38.200  107.384 27.256  142.186 15.645  -34.80206      31.42766 
1 1 1 -2  9  58 o 119.465  17.085  135.799    34.622  128.721    46.644  144.484    51.668  111.586 24.602  117.452 25.891  -5.866318      35.71548 
1 1 1 -2  9  59 o 90.536   16.471  78.708     25.078  120.651    40.617  52.869     31.880  109.145 22.071  72.241  22.688  36.90455       31.65282 
1 1 1 -2  9  60 o 61.179   16.477  36.492     17.995  26.574     23.789  49.756     27.511  54.640  19.608  70.139  20.898  -15.49910      28.65665 
1 1 1 -2  9  61 o 133.121  13.386  164.751    30.693  106.288    49.691  200.816    39.028  97.072  27.860  145.565 15.598  -48.49351      31.92911 
1 1 1 -2  9  62 o 81.918   17.024  66.135     23.555  64.919     38.761  66.846     29.660  77.373  25.098  80.288  20.940  -2.914803      32.68579 
1 1 1 -2  9  63 o 48.195   19.179  16.216     24.198  0.0000     0.0000  16.216     24.198  ?       ?       48.195  19.179  0.000000       19.17935 
1 1 1 -2  9  64 o 65.838   21.418  45.328     28.219  0.0000     0.0000  45.328     28.219  ?       ?       65.838  21.418  0.000000       21.41758 
1 1 1 -2  9  65 o 22.794   10.960  -17.3281   12.777  -13.1135   14.209  -35.1303   29.203  25.990  12.222  34.186  16.471  -8.195925      20.51017 
1 1 1 -2  10 1  o 322.822  13.507  914.461    76.136  983.068    93.408  778.655    131.419 334.371 15.999  294.858 25.785  39.51337       30.34559 
1 1 1 -2  10 2  f 403.672  19.159  1437.18    135.038 1576.05    191.130 1298.77    190.816 420.117 26.186  380.254 28.957  39.86319       39.04099 
1 1 1 -2  10 3  o 278.796  16.304  685.896    79.023  644.438    111.658 727.498    111.853 268.507 24.072  285.788 22.599  -17.28134      33.01802 
1 1 1 -2  10 4  o 87.957   11.705  68.982     17.530  75.169     21.469  56.605     30.366  91.530  13.868  78.752  21.486  12.77779       25.57294 
1 1 1 -2  10 5  f 247.961  12.746  540.616    54.998  527.481    67.347  566.913    95.289  244.443 15.865  252.244 21.851  -7.801193      27.00280 
1 1 1 -2  10 6  o 59.879   13.011  32.665     13.215  10.536     16.401  73.621     22.312  41.965  16.046  90.430  14.631  -48.46511      21.71497 
1 1 1 -2  10 7  o 272.004  13.178  649.062    62.589  613.839    76.672  719.417    108.360 263.611 16.744  284.326 21.998  -20.71573      27.64569 
1 1 1 -2  10 8  o 352.968  14.755  1094.33    90.936  1094.62    111.422 1093.75    157.366 352.003 18.191  349.752 25.954  2.250519       31.69370 
1 1 1 -2  10 9  o 63.775   12.486  36.892     13.407  36.892     13.407  0.0000     0.0000  63.775  12.486  ?       ?       0.000000       12.48626 
1 1 1 -2  10 10 o 214.914  11.982  406.121    44.785  406.121    44.785  0.0000     0.0000  214.914 11.982  ?       ?       0.000000       11.98219 
1 1 1 -2  10 11 o 431.623  14.071  1635.63    106.046 1635.25    122.403 1636.79    212.346 431.168 16.259  427.137 28.637  4.030243       32.93095 
1 1 1 -2  10 12 o 352.556  12.014  1089.65    73.958  1061.95    85.355  1173.07    148.150 347.783 14.056  362.971 23.502  -15.18820      27.38455 
1 1 1 -2  10 13 o 134.636  10.139  159.617    23.660  170.507    27.204  125.786    47.946  139.040 11.303  116.954 24.273  22.08588       26.77617 
1 1 1 -2  10 14 o 360.938  12.879  1142.87    81.170  1097.27    93.679  1280.23    162.584 353.331 15.184  378.806 24.716  -25.47479      29.00809 
1 1 1 -2  10 15 o 387.773  13.558  1319.90    91.801  1268.72    105.961 1473.92    183.818 379.782 15.979  406.043 26.065  -26.26077      30.57288 
1 1 1 -2  10 16 o 377.772  13.019  1252.24    85.877  1199.16    99.106  1412.20    172.043 369.312 15.369  397.785 24.895  -28.47275      29.25717 
1 1 1 -2  10 17 o 573.318  16.920  2894.51    169.379 2782.22    195.536 3232.01    338.999 561.145 19.957  598.096 32.584  -36.95087      38.20984 
1 1 1 -2  10 18 o 347.717  12.439  1060.58    75.524  1002.50    87.120  1236.24    151.503 337.733 14.773  372.477 23.414  -34.74408      27.68512 
1 1 1 -2  10 19 o 368.544  12.533  1191.62    80.653  1146.42    93.061  1328.03    161.671 361.146 14.758  385.817 24.120  -24.67065      28.27637 
1 1 1 -2  10 20 o 534.504  16.233  2515.13    151.495 2520.40    174.912 2499.31    303.092 534.323 18.748  524.963 33.238  9.359680       38.16055 
1 1 1 -2  10 21 o 595.678  17.767  3129.54    184.794 3129.09    213.339 3130.91    369.809 594.618 20.548  585.444 36.356  9.173950       41.76138 
1 1 1 -2  10 22 o 134.655  10.623  159.870    24.775  172.686    28.394  118.987    50.712  139.836 11.738  113.277 26.167  26.55862       28.67859 
1 1 1 -2  10 23 f 250.495  13.082  552.473    57.020  599.395    69.763  458.040    98.968  260.530 15.404  225.202 25.625  35.32872       29.89868 
1 1 1 -2  10 24 o 207.716  11.951  379.791    43.162  426.772    75.576  357.050    52.580  218.698 20.013  200.880 15.101  17.81844       25.07141 
1 1 1 -2  10 25 f 213.006  11.824  399.308    43.805  404.879    76.653  396.606    53.380  212.713 20.908  211.853 14.518  0.8601379      25.45451 
1 1 1 -2  10 26 o 22.875   11.053  -21.5254   13.384  7.4517     20.853  -41.8225   17.453  43.771  17.671  23.027  11.422  20.74385       21.04079 
1 1 1 -2  10 27 o 285.696  16.942  722.864    84.135  741.945    118.899 703.729    119.072 287.465 23.905  279.675 24.635  7.790100       34.32659 
1 1 1 -2  10 28 o 316.473  14.155  881.345    78.216  858.510    135.367 892.790    95.833  308.719 25.336  317.435 17.356  -8.716461      30.71037 
1 1 1 -2  10 29 o ?        ?       -123.8204  5.8700  -126.2174  6.9673  -117.9571  10.897  ?       ?       ?       ?       0.000000       ?        
1 1 1 -2  10 30 o 639.491  18.903  3625.22    211.074 3579.75    298.559 3670.66    298.448 630.430 27.123  638.642 26.764  -8.212585      38.10427 
1 1 1 -2  10 31 o ?        ?       -214.6099  7.5411  -208.6261  10.131  -222.0441  11.292  ?       ?       ?       ?       0.000000       ?        
1 1 1 -2  10 32 o 217.198  12.860  416.508    48.555  365.726    83.354  442.590    59.737  200.545 24.300  223.387 15.409  -22.84280      28.77403 
1 1 1 -2  10 33 o 174.506  12.425  269.241    37.611  274.350    64.602  266.621    46.260  173.966 21.742  173.053 15.473  0.9128418      26.68600 
1 1 1 -2  10 34 o 177.809  10.842  278.758    33.500  246.460    47.761  310.035    47.000  165.990 16.706  186.857 14.519  -20.86691      22.13384 
1 1 1 -2  10 35 o 455.629  20.769  1856.70    165.232 0.0000     0.0000  1856.70    165.232 ?       ?       455.629 20.769  0.000000       20.76913 
1 1 1 -2  10 36 o 255.836  13.108  578.853    58.358  684.342    101.499 526.759    71.327  275.461 21.267  242.972 16.918  32.48961       27.17593 
1 1 1 -2  10 37 o 200.182  10.491  353.315    36.543  319.612    51.529  387.416    51.832  189.184 15.742  208.790 14.304  -19.60638      21.27008 
1 1 1 -2  10 38 o 203.395  10.932  365.261    38.683  347.259    54.558  383.461    54.855  197.044 15.995  207.336 15.260  -10.29294      22.10680 
1 1 1 -2  10 39 o 130.483  12.424  151.717    27.963  136.751    34.103  182.425    48.851  122.901 16.294  140.987 20.440  -18.08569      26.13954 
1 1 1 -2  10 40 o 193.295  12.460  331.744    41.829  318.052    51.067  359.659    72.916  188.331 15.672  198.183 21.412  -9.851974      26.53415 
1 1 1 -2  10 41 o 80.266   14.623  59.026     19.739  52.021     23.594  75.364     36.033  74.628  18.257  89.137  22.998  -14.50938      29.36381 
1 1 1 -2  10 42 o 87.099   14.213  69.191     20.869  51.151     25.097  109.616    37.570  73.846  19.263  108.185 20.642  -34.33942      28.23392 
1 1 1 -2  10 43 o 219.662  12.715  429.943    48.557  394.811    59.198  502.186    84.890  209.084 16.345  233.515 21.046  -24.43126      26.64784 
1 1 1 -2  10 44 o 74.806   15.423  51.940     19.476  45.032     23.170  68.572     35.953  69.231  18.718  84.563  23.503  -15.33184      30.04603 
1 1 1 -2  10 45 o 120.635  12.938  131.134    26.826  110.073    32.428  176.790    47.746  108.923 17.655  137.410 20.530  -28.48644      27.07702 
1 1 1 -2  10 46 o 85.228   14.727  67.008     21.123  62.211     25.218  78.285     38.665  81.081  18.253  89.556  24.167  -8.475166      30.28530 
1 1 1 -2  10 47 o 99.496   17.563  92.731     29.396  84.498     40.553  101.847    42.674  92.557  24.652  101.724 24.349  -9.167664      34.64991 
1 1 1 -2  10 48 o 46.922   17.664  15.702     19.683  28.764     25.756  -2.6390    30.519  58.079  20.449  45.977  20.085  12.10172       28.66282 
1 1 1 -2  10 49 o 123.520  11.144  137.171    23.775  96.413     32.329  185.176    35.086  100.471 19.127  142.432 14.301  -41.96046      23.88239 
1 1 1 -2  10 50 o 85.078   13.151  66.663     18.906  62.203     25.508  72.100     28.163  80.323  18.560  86.369  19.175  -6.046265      26.68629 
1 1 1 -2  10 51 f 181.726  10.842  296.392    34.244  292.978    48.122  299.895    48.741  178.100 15.633  180.193 15.647  -2.093246      22.11808 
1 1 1 -2  10 52 o 56.163   16.976  29.803     18.058  8.5847     29.940  41.935     22.640  49.266  20.657  65.735  18.786  -16.46870      27.92179 
1 1 1 -2  10 53 o 61.413   16.987  36.403     18.829  1.6621     31.561  55.600     23.461  47.431  20.576  75.461  18.049  -28.03045      27.36987 
1 1 1 -2  10 54 o 97.734   14.514  89.601     24.016  107.958    39.046  78.431     30.458  103.076 22.340  88.660  20.134  14.41577       30.07414 
1 1 1 -2  10 55 o 102.578  16.800  101.169    29.049  68.527     38.920  142.225    43.648  80.522  25.032  118.564 21.890  -38.04284      33.25356 
1 1 1 -2  10 56 o 114.920  13.527  123.107    26.624  125.634    30.881  115.788    52.550  114.822 15.823  101.123 28.525  13.69916       32.61931 
1 1 1 -2  10 57 o 89.298   13.821  75.335     20.854  88.735     26.665  54.229     33.464  95.588  16.577  72.018  23.316  23.56965       28.60792 
1 1 1 -2  10 58 o 34.135   14.544  1.9308     15.238  -13.1896   19.317  26.840     24.794  31.675  14.680  54.542  19.954  -22.86618      24.77189 
1 1 1 -2  10 59 o 82.654   14.089  65.430     19.604  67.775     24.852  61.569     31.894  82.116  17.843  75.745  22.486  6.371254       28.70503 
1 1 1 -2  10 60 o 40.150   16.714  7.0377     19.397  5.0659     25.199  9.9051     30.388  43.229  18.567  48.242  20.545  -5.013569      27.69202 
1 1 1 -2  10 61 o 48.222   18.442  19.399     21.666  25.692     28.002  10.011     34.201  54.006  20.885  49.868  21.526  4.137859       29.99223 
1 1 1 -2  10 62 o 51.760   18.409  25.771     20.924  31.281     26.774  17.125     33.537  56.348  20.717  51.809  21.800  4.538891       30.07376 
1 1 1 -2  11 1  o 99.189   10.467  87.192     17.855  83.171     20.723  98.779     35.175  96.518  12.597  103.889 20.118  -7.370857      23.73648 
1 1 1 -2  11 2  o 646.845  27.625  3756.44    312.010 3676.00    441.192 3836.93    441.304 629.049 40.381  643.582 39.461  -14.53253      56.46116 
1 1 1 -2  11 3  o 178.559  12.009  281.087    37.224  277.220    63.616  283.100    45.902  175.532 21.184  178.744 14.842  -3.212219      25.86612 
1 1 1 -2  11 4  o 295.122  13.601  765.625    70.084  733.339    120.916 781.958    86.004  285.681 24.477  297.301 16.634  -11.61993      29.59423 
1 1 1 -2  11 5  o 140.479  10.218  173.864    24.892  175.097    34.729  172.562    35.696  140.363 14.373  139.238 14.915  1.124756       20.71300 
1 1 1 -2  11 6  o 231.940  15.467  475.912    62.280  482.684    88.360  469.226    87.798  232.036 22.075  228.698 22.269  3.338104       31.35630 
1 1 1 -2  11 7  o 410.726  19.873  1494.66    142.518 1502.15    201.631 1487.17    201.470 407.714 28.502  405.604 28.632  2.109802       40.39986 
1 1 1 -2  11 8  o 263.721  16.167  615.422    74.084  581.056    104.858 649.674    104.684 254.200 23.905  269.350 22.464  -15.14981      32.80355 
1 1 1 -2  11 9  o 386.295  15.579  1314.84    105.083 1233.70    128.607 1477.83    182.274 372.623 19.838  405.523 25.877  -32.89990      32.60647 
1 1 1 -2  11 10 o 173.574  11.901  265.683    35.851  212.281    43.706  375.518    62.680  154.280 16.479  205.438 17.645  -51.15837      24.14363 
1 1 1 -2  11 11 f 393.808  15.630  1366.81    107.473 1313.53    131.530 1473.83    186.421 384.528 19.656  404.574 26.537  -20.04608      33.02338 
1 1 1 -2  11 12 o 125.167  12.437  138.940    26.820  114.667    32.429  191.479    47.711  112.751 17.001  145.842 19.203  -33.09071      25.64698 
1 1 1 -2  11 13 o 337.295  14.253  1001.28    83.943  983.202    102.799 1037.45    145.418 333.048 17.741  339.789 24.678  -6.741211      30.39388 
1 1 1 -2  11 14 o 225.418  12.723  447.918    49.872  421.072    61.026  501.901    86.538  217.887 16.156  236.743 21.158  -18.85574      26.62041 
1 1 1 -2  11 15 o 66.423   13.475  40.192     15.094  34.360     17.016  61.729     32.699  61.276  15.801  81.911  22.275  -20.63424      27.31017 
1 1 1 -2  11 16 o 98.426   11.191  86.101     18.890  81.768     21.500  100.769    39.555  95.537  13.245  104.436 22.366  -8.898277      25.99340 
1 1 1 -2  11 17 o 272.297  13.412  652.299    63.768  630.585    77.960  696.198    110.848 266.632 16.832  278.368 23.012  -11.73648      28.51075 
1 1 1 -2  11 18 o 107.525  13.679  103.359    25.101  118.754    30.148  68.575     45.316  115.046 15.394  87.207  26.995  27.83958       31.07561 
1 1 1 -2  11 19 o 331.700  14.384  969.460    83.309  1003.32    101.786 900.750    144.999 336.299 17.393  315.239 26.591  21.05966       31.77448 
1 1 1 -2  11 20 o 273.183  15.735  661.065    74.736  542.377    103.875 788.440    107.609 244.723 24.645  296.860 20.894  -52.13707      32.30957 
1 1 1 -2  11 21 o 530.089  20.901  2503.90    193.450 1778.67    272.718 3238.39    274.451 436.901 36.072  599.367 26.225  -162.4655      44.59716 
1 1 1 -2  11 22 o 47.185   17.859  14.282     20.185  -36.9460   24.467  123.441    35.716  31.357  15.100  116.668 18.121  -85.31068      23.58742 
1 1 1 -2  11 23 o 90.453   13.964  73.770     21.345  99.227     24.145  -17.2758   45.662  105.301 13.438  53.493  23.905  51.80828       27.42359 
1 1 1 -2  11 24 o 205.820  10.522  372.940    37.686  355.750    43.321  426.430    76.418  200.675 12.425  217.770 20.332  -17.09544      23.82806 
1 1 1 -2  11 25 o 438.520  14.750  1698.85    112.937 1682.40    130.335 1748.40    226.257 435.496 17.140  436.095 29.894  -0.5994568     34.45940 
1 1 1 -2  11 26 o 217.473  10.998  416.796    41.626  416.136    59.116  417.445    58.624  216.243 15.765  216.627 15.603  -0.3840942     22.18134 
1 1 1 -2  11 27 o 291.788  11.815  749.522    60.195  748.087    85.251  750.949    85.007  289.780 16.922  290.364 16.839  -0.5844727     23.87290 
1 1 1 -2  11 28 o 68.818   14.002  43.335     16.253  49.212     23.338  37.801     22.647  72.913  18.346  64.474  18.897  8.439163       26.33781 
1 1 1 -2  11 29 o 96.963   11.605  83.966     19.257  91.522     27.620  76.817     26.864  100.276 16.337  91.432  17.464  8.843513       23.91436 
1 1 1 -2  11 30 o 88.245   12.850  70.164     19.218  93.010     26.007  42.681     28.524  101.335 15.164  68.860  21.434  32.47534       26.25559 
1 1 1 -2  11 31 o 107.879  11.744  103.835    21.764  112.333    29.813  94.139     31.844  111.351 15.775  101.007 18.746  10.34435       24.50008 
1 1 1 -2  11 32 o 213.333  11.049  402.276    41.017  380.683    57.889  424.045    58.125  206.047 16.222  217.811 15.382  -11.76398      22.35522 
1 1 1 -2  11 33 o 346.468  12.608  1062.39    76.273  1018.38    107.771 1106.56    107.962 336.177 18.430  350.901 17.677  -14.72440      25.53748 
1 1 1 -2  11 34 o 173.641  12.367  268.247    37.249  257.212    45.910  289.504    63.721  169.037 15.736  177.445 20.972  -8.408066      26.21884 
1 1 1 -2  11 35 o 120.844  13.089  131.089    27.176  114.612    33.621  162.146    46.159  111.568 17.861  132.129 20.686  -20.56151      27.33035 
1 1 1 -2  11 36 o 454.984  21.570  1896.96    171.363 1896.96    171.363 0.0000     0.0000  454.984 21.570  ?       ?       0.000000       21.57031 
1 1 1 -2  11 37 o 163.081  14.923  239.945    42.022  239.945    42.022  0.0000     0.0000  163.081 14.923  ?       ?       0.000000       14.92281 
1 1 1 -2  11 38 o 73.715   15.449  50.544     19.248  51.296     23.213  48.889     34.438  73.756  18.148  72.875  23.658  0.8815918      29.81710 
1 1 1 -2  11 39 o 195.689  12.304  342.285    41.828  283.515    50.815  465.789    73.664  176.275 16.709  225.023 18.924  -48.74808      25.24534 
1 1 1 -2  11 40 o 218.284  15.797  432.757    59.800  387.116    83.855  479.989    85.304  201.145 24.373  226.048 21.887  -24.90282      32.75803 
1 1 1 -2  11 41 o 173.579  12.378  270.499    37.270  246.923    45.187  320.659    65.911  164.311 15.951  184.672 20.803  -20.36139      26.21451 
1 1 1 -2  11 42 o 232.464  12.886  486.105    52.100  414.462    63.511  633.509    91.100  212.092 17.301  260.091 20.219  -47.99867      26.61035 
1 1 1 -2  11 43 o 79.140   15.486  58.758     20.632  52.017     24.688  74.374     37.573  73.486  19.074  86.469  24.024  -12.98273      30.67551 
1 1 1 -2  11 44 o 126.062  12.987  144.588    28.176  138.697    34.011  157.477    50.308  122.022 16.377  126.164 23.707  -4.142578      28.81376 
1 1 1 -2  11 45 o 100.563  11.909  92.023     20.504  73.115     27.930  114.126    30.197  86.885  18.944  110.429 16.138  -23.54338      24.88578 
1 1 1 -2  11 46 o 70.395   14.420  46.732     17.128  31.018     23.452  64.697     25.076  58.147  19.547  81.769  18.046  -23.62216      26.60376 
1 1 1 -2  11 47 o 68.157   16.638  44.832     19.628  33.929     23.506  69.943     35.672  59.951  19.550  82.739  23.559  -22.78768      30.61387 
1 1 1 -2  11 48 o 162.004  13.001  240.431    36.465  207.133    62.530  257.591    44.889  140.594 26.442  165.996 15.673  -25.40169      30.73807 
1 1 1 -2  11 49 o 98.605   14.954  91.743     24.939  85.419     42.031  95.179     30.982  89.442  25.609  98.525  18.693  -9.083298      31.70551 
1 1 1 -2  11 50 o 64.282   16.921  40.524     19.251  47.790     33.028  36.784     23.693  68.892  23.197  61.323  19.594  7.568783       30.36477 
1 1 1 -2  11 51 o 146.638  11.054  195.950    28.094  151.517    38.880  244.501    40.642  124.285 18.478  161.487 14.571  -37.20189      23.53187 
1 1 1 -2  11 52 o 69.140   15.293  46.504     17.972  46.161     23.684  46.968     27.594  67.500  19.188  67.676  21.084  -0.1757355     28.50832 
1 1 1 -2  11 53 o 95.092   12.554  84.564     20.334  48.311     26.718  134.466    31.347  68.337  20.648  118.344 15.546  -50.00666      25.84604 
1 1 1 -2  11 54 o 51.457   16.142  25.658     16.142  34.795     20.850  11.989     25.502  58.918  18.323  46.641  19.269  12.27613       26.59019 
1 1 1 -2  11 55 o 77.744   16.022  59.857     21.027  45.590     25.205  92.513     38.132  66.063  20.075  91.383  23.698  -25.31934      31.05846 
1 1 1 -2  11 56 o 96.735   15.108  91.205     24.684  96.147     30.002  80.853     43.426  97.070  18.374  82.412  26.548  14.65798       32.28599 
1 1 1 -2  11 57 o 63.606   17.608  41.780     20.221  46.589     24.579  31.706     35.571  66.163  19.762  58.456  23.256  7.707230       30.51870 
1 1 1 -2  11 58 o 32.467   14.201  -0.3680    15.302  0.3162     22.992  -0.9120    20.501  39.132  17.253  36.757  16.245  2.375080       23.69743 
1 1 1 -2  12 1  o 328.665  12.569  951.549    72.133  975.964    83.334  878.599    144.048 332.403 14.358  309.896 26.888  22.50772       30.48119 
1 1 1 -2  12 2  o ?        ?       -57.8127   4.2321  -59.7879   5.0034  -52.8460   7.9340  ?       ?       ?       ?       0.000000       ?        
1 1 1 -2  12 3  o 45.920   15.771  17.076     15.273  39.721     18.045  -40.1142   28.677  65.689  15.903  34.554  16.563  31.13496       22.96179 
1 1 1 -2  12 4  o 176.862  11.063  276.050    33.993  322.498    47.254  226.231    48.938  190.568 14.306  158.554 17.996  32.01326       22.98900 
1 1 1 -2  12 5  o 220.540  10.989  427.572    42.316  444.542    59.382  410.064    60.317  223.652 15.298  214.526 16.222  9.126556       22.29794 
1 1 1 -2  12 6  o 181.410  10.836  290.274    34.168  306.541    47.611  273.000    49.063  185.640 14.811  174.783 16.263  10.85774       21.99705 
1 1 1 -2  12 7  o 165.430  10.766  241.535    30.928  269.725    43.215  211.933    44.283  174.161 14.338  153.685 16.775  20.47658       22.06743 
1 1 1 -2  12 8  o 345.384  18.265  1064.66    109.756 1045.06    154.016 1084.88    156.449 338.283 26.281  344.754 26.185  -6.471680      37.09962 
1 1 1 -2  12 9  o 161.975  12.645  232.589    35.479  207.835    43.168  284.110    62.277  152.214 16.507  177.098 20.520  -24.88379      26.33529 
1 1 1 -2  12 10 o 89.279   14.242  72.122     21.456  69.073     25.819  78.927     38.572  86.629  17.668  91.825  23.845  -5.196701      29.67767 
1 1 1 -2  12 11 o 147.236  15.270  193.933    38.687  193.933    38.687  0.0000     0.0000  147.236 15.270  ?       ?       0.000000       15.27044 
1 1 1 -2  12 12 o 142.401  21.015  185.462    50.681  185.462    50.681  0.0000     0.0000  142.401 21.015  ?       ?       0.000000       21.01457 
1 1 1 -2  12 13 o 194.649  21.621  344.394    72.242  344.394    72.242  0.0000     0.0000  194.649 21.621  ?       ?       0.000000       21.62107 
1 1 1 -2  12 14 o 184.882  15.254  304.894    48.803  304.894    48.803  0.0000     0.0000  184.882 15.254  ?       ?       0.000000       15.25396 
1 1 1 -2  12 15 o 146.703  10.732  190.324    27.299  167.810    31.334  261.239    55.610  137.226 13.242  169.947 19.069  -32.72073      23.21604 
1 1 1 -2  12 16 o 509.424  16.053  2305.65    142.790 2194.79    164.834 2638.96    285.816 495.268 19.061  531.937 30.906  -36.66885      36.31104 
1 1 1 -2  12 17 o 179.777  10.495  285.299    32.800  254.267    37.559  385.016    67.328  169.216 12.807  206.630 18.869  -37.41370      22.80486 
1 1 1 -2  12 18 o 170.718  10.213  257.272    30.305  268.561    34.862  222.363    61.304  174.178 11.528  155.020 23.375  19.15744       26.06308 
1 1 1 -2  12 19 o 472.243  17.594  1992.57    145.077 1972.77    177.691 2032.16    251.253 467.048 21.789  464.907 31.131  2.141113       37.99916 
1 1 1 -2  12 20 o 97.580   13.560  85.868     22.479  105.705    27.418  45.197     39.259  108.130 14.919  73.025  25.274  35.10549       29.34897 
1 1 1 -2  12 21 o 338.124  14.584  1015.54    86.100  1020.52    105.474 1005.60    149.063 337.008 17.989  329.424 26.129  7.583588       31.72326 
1 1 1 -2  12 22 o 170.614  12.461  258.832    36.866  240.751    45.005  295.715    64.277  163.557 15.962  179.644 20.881  -16.08791      26.28350 
1 1 1 -2  12 23 o 312.026  14.137  865.250    77.023  781.090    94.223  1034.76    133.721 294.129 18.440  335.751 22.947  -41.62213      29.43820 
1 1 1 -2  12 24 o 226.231  12.727  455.023    50.071  424.601    61.202  516.606    87.076  217.279 16.250  237.432 21.228  -20.15298      26.73309 
1 1 1 -2  12 25 o 304.596  13.869  825.453    73.762  810.451    90.351  855.436    127.728 299.789 17.334  303.451 24.311  -3.661163      29.85792 
1 1 1 -2  12 26 o 247.615  13.138  546.385    56.598  547.758    69.295  543.636    98.097  246.644 16.180  241.691 23.544  4.953186       28.56787 
1 1 1 -2  12 27 o 108.338  16.569  107.742    30.346  107.742    30.346  0.0000     0.0000  108.338 16.569  ?       ?       0.000000       16.56873 
1 1 1 -2  12 28 o 315.727  17.780  904.781    97.620  904.781    97.620  0.0000     0.0000  315.727 17.780  ?       ?       0.000000       17.78006 
1 1 1 -2  12 29 o 165.624  15.485  248.497    44.261  248.497    44.261  0.0000     0.0000  165.624 15.485  ?       ?       0.000000       15.48476 
1 1 1 -2  12 30 f 56.076   18.340  27.892     20.682  27.892     20.682  0.0000     0.0000  56.076  18.340  ?       ?       0.000000       18.34027 
1 1 1 -2  12 31 o 278.618  16.966  706.951    82.147  706.951    82.147  0.0000     0.0000  278.618 16.966  ?       ?       0.000000       16.96643 
1 1 1 -2  12 32 o 166.631  12.437  249.168    35.924  238.482    43.682  271.500    63.148  161.723 15.666  169.428 21.855  -7.704910      26.88982 
1 1 1 -2  12 33 o 115.253  16.215  122.729    31.729  102.219    43.798  145.381    46.028  101.580 24.889  122.898 22.269  -21.31750      33.39714 
1 1 1 -2  12 34 o 218.431  12.733  429.030    48.355  381.535    59.186  524.366    83.854  203.766 16.784  236.280 20.529  -32.51344      26.51731 
1 1 1 -2  12 35 o 144.484  11.027  187.155    27.610  177.921    38.337  197.105    39.796  138.823 16.116  146.330 15.828  -7.507004      22.58825 
1 1 1 -2  12 36 o 110.658  12.038  110.979    22.885  96.570     31.603  126.865    33.183  100.606 18.678  116.511 16.797  -15.90450      25.11980 
1 1 1 -2  12 37 o 218.388  12.647  430.951    48.018  304.326    81.592  498.046    59.393  172.424 28.066  233.504 14.641  -61.07962      31.65586 
1 1 1 -2  12 38 o 148.613  10.945  198.710    28.202  171.456    39.474  227.127    40.308  135.127 17.114  157.037 14.878  -21.90970      22.67663 
1 1 1 -2  12 39 o 138.230  10.925  172.299    26.154  131.281    36.817  214.083    37.159  116.996 18.649  152.631 14.103  -35.63536      23.38079 
1 1 1 -2  12 40 o 116.413  11.588  123.226    23.242  96.968     32.404  151.048    33.355  99.666  19.318  127.220 15.324  -27.55458      24.65748 
1 1 1 -2  12 41 o 163.953  10.859  242.760    30.910  225.829    43.347  260.275    44.088  154.965 16.262  167.141 15.276  -12.17497      22.31178 
1 1 1 -2  12 42 o 88.694   15.363  74.798     22.930  54.916     39.884  84.614     28.024  73.609  25.474  93.223  17.867  -19.61427      31.11540 
1 1 1 -2  12 43 o 239.511  13.502  528.895    56.234  486.448    97.093  550.322    68.983  214.422 26.497  241.247 16.475  -26.82489      31.20094 
1 1 1 -2  12 44 o 130.016  13.482  157.270    30.161  163.724    51.902  153.979    37.061  124.320 24.780  126.250 17.264  -1.930298      30.20102 
1 1 1 -2  12 45 o 101.100  14.586  96.999     25.004  85.512     42.092  103.262    31.082  88.012  25.752  102.318 18.058  -14.30665      31.45248 
1 1 1 -2  12 46 o 99.735   14.872  95.079     25.106  67.282     43.000  109.457    30.925  77.901  26.467  105.564 17.383  -27.66248      31.66478 
1 1 1 -2  12 47 o 101.471  12.163  95.917     21.120  90.518     28.645  102.349    31.263  95.250  17.880  101.069 18.393  -5.819267      25.65159 
1 1 1 -2  12 48 o 72.375   14.537  50.903     17.732  21.127     23.940  87.095     26.394  50.491  19.368  93.890  16.712  -43.39874      25.58136 
1 1 1 -2  12 49 o 65.478   15.989  42.823     18.121  62.905     24.781  19.742     26.567  78.256  18.438  50.626  20.112  27.62995       27.28504 
1 1 1 -2  12 50 o 97.489   15.402  93.065     25.347  81.301     31.200  115.901    43.469  87.220  20.782  100.787 24.857  -13.56682      32.40001 
1 1 1 -2  12 51 o 56.848   18.115  33.024     20.261  13.937     25.227  67.713     34.009  46.693  19.214  77.205  23.288  -30.51181      30.19135 
1 1 1 -2  12 52 o 60.525   17.152  37.850     18.955  14.020     22.630  93.875     34.700  45.179  18.349  92.001  21.914  -46.82232      28.58156 
1 1 1 -2  12 53 o 49.478   18.337  23.016     21.049  38.911     27.466  0.3944     32.767  60.110  21.121  44.948  20.157  15.16167       29.19564 
1 1 1 -2  12 54 o 64.551   20.902  46.718     26.893  0.0000     0.0000  46.718     26.893  ?       ?       64.551  20.902  0.000000       20.90177 
1 1 1 -2  13 1  o 196.359  12.514  343.527    42.682  316.971    52.443  395.634    73.461  187.312 16.194  207.397 20.556  -20.08456      26.16880 
1 1 1 -2  13 2  o 161.412  15.590  235.311    43.391  235.311    43.391  0.0000     0.0000  161.412 15.590  ?       ?       0.000000       15.58977 
1 1 1 -2  13 3  o 47.760   16.843  18.224     17.481  18.224     17.481  0.0000     0.0000  47.760  16.843  ?       ?       0.000000       16.84340 
1 1 1 -2  13 4  o 396.637  19.646  1430.17    136.060 1348.09    191.915 1513.12    192.927 374.989 29.550  399.352 27.842  -24.36276      40.60035 
1 1 1 -2  13 5  o 66.572   14.561  41.048     16.455  40.466     18.819  42.938     33.910  65.865  16.420  69.707  23.504  -3.842216      28.67208 
1 1 1 -2  13 6  o 291.518  13.583  756.831    69.141  720.952    84.367  830.216    120.656 282.387 17.192  298.922 23.301  -16.53497      28.95718 
1 1 1 -2  13 7  o 112.081  11.983  112.606    23.088  100.283    27.461  142.325    42.645  104.770 15.477  123.439 20.505  -18.66925      25.69059 
1 1 1 -2  13 8  o 223.961  12.572  446.932    48.965  425.817    59.523  491.129    86.115  217.324 15.794  230.382 21.662  -13.05753      26.80842 
1 1 1 -2  13 9  o 287.648  11.679  733.510    58.660  685.831    67.590  879.032    118.083 276.884 14.026  308.262 22.085  -31.37756      26.16241 
1 1 1 -2  13 10 o 130.825  10.626  152.319    24.062  141.872    27.562  185.797    49.340  125.702 12.733  141.211 20.619  -15.50919      24.23366 
1 1 1 -2  13 11 o 97.387   11.203  85.073     18.703  80.829     21.505  98.248     37.891  94.343  13.434  101.483 22.017  -7.139359      25.79155 
1 1 1 -2  13 12 f 132.441  10.466  156.072    24.005  143.548    27.636  194.562    48.447  126.416 12.692  144.832 19.666  -18.41592      23.40591 
1 1 1 -2  13 13 o 242.868  15.986  533.141    67.414  521.448    94.549  545.232    96.146  235.783 23.269  241.252 23.107  -5.469162      32.79319 
1 1 1 -2  13 14 o 90.100   16.195  75.219     24.542  66.506     32.716  86.430     37.112  83.260  22.126  94.707  22.731  -11.44685      31.72196 
1 1 1 -2  13 15 o 252.763  15.970  578.206    70.122  532.172    98.253  625.994    100.107 237.240 24.051  258.750 22.378  -21.51028      32.85163 
1 1 1 -2  13 16 o 223.060  12.426  444.601    48.203  448.564    59.135  436.753    83.213  222.749 15.297  215.632 22.430  7.116943       27.14927 
1 1 1 -2  13 17 o 130.720  11.877  153.247    26.813  153.247    26.813  0.0000     0.0000  130.720 11.877  ?       ?       0.000000       11.87698 
1 1 1 -2  13 18 f 314.426  14.081  887.470    77.307  887.470    77.307  0.0000     0.0000  314.426 14.081  ?       ?       0.000000       14.08109 
1 1 1 -2  13 19 o 100.377  13.189  91.627     22.556  91.627     22.556  0.0000     0.0000  100.377 13.189  ?       ?       0.000000       13.18892 
1 1 1 -2  13 20 o 211.863  12.851  403.091    47.314  403.091    47.314  0.0000     0.0000  211.863 12.851  ?       ?       0.000000       12.85075 
1 1 1 -2  13 21 o 117.776  12.649  125.473    25.605  125.473    25.605  0.0000     0.0000  117.776 12.649  ?       ?       0.000000       12.64904 
1 1 1 -2  13 22 o 242.673  13.257  530.411    55.959  530.411    55.959  0.0000     0.0000  242.673 13.257  ?       ?       0.000000       13.25661 
1 1 1 -2  13 23 o 38.400   14.440  10.187     13.147  10.187     13.147  0.0000     0.0000  38.400  14.440  ?       ?       0.000000       14.43997 
1 1 1 -2  13 24 o 165.063  12.527  245.805    35.834  245.805    35.834  0.0000     0.0000  165.063 12.527  ?       ?       0.000000       12.52668 
1 1 1 -2  13 25 f 116.080  12.761  122.521    25.437  122.521    25.437  0.0000     0.0000  116.080 12.761  ?       ?       0.000000       12.76066 
1 1 1 -2  13 26 o 184.796  10.866  305.983    34.906  289.092    40.118  358.604    70.811  178.648 12.949  193.415 21.322  -14.76720      24.94590 
1 1 1 -2  13 27 o 149.251  10.763  200.032    27.860  189.576    31.912  233.538    57.125  144.457 12.784  155.221 21.668  -10.76447      25.15805 
1 1 1 -2  13 28 o 227.860  12.991  471.015    51.473  468.206    62.979  476.666    89.328  224.903 16.145  220.075 23.616  4.827728       28.60695 
1 1 1 -2  13 29 o 96.170   11.363  84.132     18.712  85.252     21.222  80.218     39.666  96.253  12.957  88.378  24.731  7.875198       27.91951 
1 1 1 -2  13 30 o 74.349   16.123  52.939     20.327  39.886     24.685  80.437     35.827  64.230  19.931  88.983  22.919  -24.75359      30.37305 
1 1 1 -2  13 31 f 27.180   11.759  -0.7662    10.254  3.0196     11.129  -22.0445   26.384  30.813  12.730  35.924  16.817  -5.111298      21.09155 
1 1 1 -2  13 32 o 120.592  11.212  132.140    23.338  121.987    32.605  142.807    33.420  113.017 17.053  123.066 15.926  -10.04938      23.33338 
1 1 1 -2  13 33 o 121.459  11.177  134.220    23.438  110.278    32.768  159.299    33.538  106.484 18.283  130.403 15.003  -23.91870      23.65043 
1 1 1 -2  13 34 o 103.253  11.679  97.825     20.685  67.205     28.689  130.981    29.853  81.551  20.242  118.047 14.809  -36.49646      25.08092 
1 1 1 -2  13 35 o 84.575   14.993  68.305     21.330  46.647     34.819  81.315     26.986  68.249  23.792  91.102  17.602  -22.85279      29.59498 
1 1 1 -2  13 36 f 47.027   15.883  20.100     15.484  21.882     20.982  17.970     22.945  50.377  18.367  48.875  18.904  1.501842       26.35734 
1 1 1 -2  13 37 o 119.460  15.130  135.823    30.851  117.747    54.526  144.335    37.417  100.089 29.317  121.019 18.277  -20.92995      34.54726 
1 1 1 -2  13 38 o 125.885  14.662  150.453    31.623  116.733    56.009  166.232    38.315  98.366  29.934  130.479 17.240  -32.11296      34.54337 
1 1 1 -2  13 39 o 56.554   20.217  30.443     25.266  38.638     39.576  24.805     32.825  63.833  24.789  55.891  22.308  7.942112       33.34843 
1 1 1 -2  13 40 o 109.930  15.770  117.432    29.403  91.896     49.858  131.049    36.408  87.268  28.472  113.775 18.997  -26.50713      34.22784 
1 1 1 -2  13 41 o 39.438   15.335  10.975     15.162  0.4859     19.573  26.709     23.974  37.014  16.129  53.562  19.617  -16.54803      25.39649 
1 1 1 -2  13 42 o 142.743  11.163  188.446    27.602  161.691    38.375  217.123    39.729  126.915 17.807  149.612 15.430  -22.69674      23.56204 
1 1 1 -2  13 43 o 48.401   16.052  22.601     15.822  24.579     21.047  20.029     23.993  51.057  18.429  49.319  19.259  1.738522       26.65628 
1 1 1 -2  13 44 o 32.251   13.949  0.7598     14.418  5.7236     16.735  -13.5320   28.397  37.031  15.479  38.489  17.824  -1.458084      23.60707 
1 1 1 -2  13 45 f 161.561  13.382  249.614    37.411  210.314    45.864  327.745    64.668  142.338 18.923  173.673 21.806  -31.33549      28.87175 
1 1 1 -2  13 46 o 52.361   18.097  27.652     20.124  46.766     25.337  -5.0121    33.121  65.284  20.181  43.477  19.804  21.80708       28.27506 
1 1 1 -2  13 47 o 59.997   17.881  38.263     20.139  45.430     24.631  23.809     34.981  64.172  19.908  53.631  22.396  10.54120       29.96499 
1 1 1 -2  13 48 o 56.867   18.352  34.641     20.745  26.305     38.110  38.152     24.730  54.922  23.181  58.913  20.071  -3.990681      30.66314 
1 1 1 -2  13 49 o 75.655   17.759  61.551     23.057  45.115     39.734  69.895     28.311  61.792  24.581  78.297  20.476  -16.50430      31.99190 
1 1 1 -2  14 1  f 235.300  11.317  496.480    46.496  478.515    53.747  549.910    92.690  229.393 13.478  237.712 22.604  -8.318909      26.31698 
1 1 1 -2  14 2  o 135.973  10.944  166.484    25.764  145.020    29.726  231.286    51.651  125.729 13.766  155.762 19.413  -30.03346      23.79803 
1 1 1 -2  14 3  o 62.616   14.519  37.084     15.565  25.657     18.111  69.371     30.444  52.973  17.153  83.805  20.881  -30.83201      27.02299 
1 1 1 -2  14 4  o 98.985   12.650  89.720     21.364  84.331     25.450  102.577    39.311  94.656  15.966  101.293 22.779  -6.637062      27.81767 
1 1 1 -2  14 5  o 76.827   12.491  54.469     16.181  68.723     21.683  36.557     24.307  85.581  15.060  62.169  19.844  23.41190       24.91219 
1 1 1 -2  14 6  o 53.600   13.882  27.082     13.095  18.422     16.468  41.978     21.598  46.707  16.357  65.927  18.176  -19.22077      24.45250 
1 1 1 -2  14 7  o 81.395   12.312  60.942     16.952  42.009     19.054  132.822    37.126  66.178  16.537  117.837 18.666  -51.65930      24.93757 
1 1 1 -2  14 8  o 47.395   14.224  20.786     12.711  19.684     14.242  25.101     28.186  46.795  15.215  56.262  21.146  -9.467197      26.05060 
1 1 1 -2  14 9  o 60.704   13.536  34.699     13.982  38.357     15.762  21.191     30.290  63.631  14.509  55.178  21.614  8.453239       26.03210 
1 1 1 -2  14 10 o 102.404  11.455  95.322     20.131  86.952     23.108  121.663    40.996  96.780  14.088  110.698 21.985  -13.91817      26.11167 
1 1 1 -2  14 11 o 85.387   13.451  67.686     19.391  68.422     23.038  65.897     35.910  84.827  16.144  80.561  23.847  4.266342       28.79740 
1 1 1 -2  14 12 o 106.581  15.751  106.747    28.429  106.747    28.429  0.0000     0.0000  106.581 15.751  ?       ?       0.000000       15.75097 
1 1 1 -2  14 13 o 83.057   15.889  65.628     22.204  65.628     22.204  0.0000     0.0000  83.057  15.889  ?       ?       0.000000       15.88946 
1 1 1 -2  14 14 o 61.826   16.858  36.882     18.699  36.882     18.699  0.0000     0.0000  61.826  16.858  ?       ?       0.000000       16.85768 
1 1 1 -2  14 15 o 198.597  15.623  367.133    53.738  367.133    53.738  0.0000     0.0000  198.597 15.623  ?       ?       0.000000       15.62309 
1 1 1 -2  14 16 o 122.761  15.251  141.114    31.986  141.114    31.986  0.0000     0.0000  122.761 15.251  ?       ?       0.000000       15.25075 
1 1 1 -2  14 17 o 149.379  15.134  208.240    38.929  208.240    38.929  0.0000     0.0000  149.379 15.134  ?       ?       0.000000       15.13406 
1 1 1 -2  14 18 o 31.452   13.072  2.8768     11.838  -12.0610   13.279  60.706     26.128  25.547  11.950  78.129  19.272  -52.58278      22.67636 
1 1 1 -2  14 19 o 71.540   17.444  50.194     21.594  33.868     27.924  74.481     34.058  60.380  21.289  84.959  22.574  -24.57871      31.02927 
1 1 1 -2  14 20 o 132.151  15.647  164.915    35.403  168.855    47.979  160.206    52.453  129.236 22.053  123.284 25.217  5.951797       33.50032 
1 1 1 -2  14 21 o 23.182   10.919  -11.6897   11.419  -15.6269   12.930  2.2659     24.344  23.752  11.313  42.222  18.193  -18.47040      21.42353 
1 1 1 -2  14 22 o 60.622   15.646  35.736     16.673  38.284     19.276  28.166     33.224  62.387  17.159  58.568  22.721  3.819271       28.47264 
1 1 1 -2  14 23 o 87.378   14.031  72.226     20.683  72.226     20.683  0.0000     0.0000  87.378  14.031  ?       ?       0.000000       14.03114 
1 1 1 -2  14 24 o 78.565   15.007  59.406     19.836  59.406     19.836  0.0000     0.0000  78.565  15.007  ?       ?       0.000000       15.00734 
1 1 1 -2  14 25 o 100.016  13.168  93.759     22.437  93.759     22.437  0.0000     0.0000  100.016 13.168  ?       ?       0.000000       13.16836 
1 1 1 -2  14 26 o 60.882   14.357  35.953     15.014  30.236     16.806  58.552     33.412  55.549  16.278  74.044  23.222  -18.49503      28.35921 
1 1 1 -2  14 27 o 105.030  11.778  102.254    21.227  98.247     24.252  115.380    43.889  101.732 14.026  102.347 24.816  -0.6151428     28.50549 
1 1 1 -2  14 28 o 69.491   14.305  46.794     16.779  54.325     18.996  20.070     35.785  74.625  15.097  54.946  22.773  19.67844       27.32303 
1 1 1 -2  14 29 o 82.065   16.285  66.631     22.512  66.432     27.859  67.005     38.215  79.696  20.040  77.219  24.907  2.476807       31.96829 
1 1 1 -2  14 30 o 123.480  13.411  144.236    28.449  125.166    34.942  181.735    48.999  111.123 18.671  130.738 22.262  -19.61468      29.05522 
1 1 1 -2  14 31 o 107.906  19.238  119.678    34.917  122.756    52.846  117.293    46.519  99.671  28.767  100.152 26.274  -0.4807281     38.95945 
1 1 1 -2  14 32 o 72.815   21.157  57.503     28.500  51.476     44.582  61.668     37.062  68.396  26.380  73.470  24.574  -5.073387      36.05207 
1 1 1 -2  14 33 o 48.719   19.169  19.098     23.919  7.0067     38.362  26.789     30.593  50.398  22.250  54.937  21.659  -4.539761      31.05097 
1 1 1 -2  14 34 o 46.990   18.395  17.783     21.928  38.883     31.158  -2.9248    30.867  60.889  22.354  43.242  19.463  17.64693       29.64010 
1 1 1 -2  14 35 o 98.211   12.267  91.573     20.577  95.679     28.842  87.316     29.365  96.441  17.783  90.977  19.094  5.464142       26.09238 
1 1 1 -2  14 36 o 104.146  12.395  103.294    22.098  98.183     30.838  108.688    31.680  96.439  18.990  102.067 18.456  -5.627777      26.48038 
1 1 1 -2  14 37 o 47.025   15.686  21.679     15.101  16.140     20.321  28.509     22.567  44.880  17.665  53.166  19.096  -8.285099      26.01384 
1 1 1 -2  14 38 o 84.213   12.860  68.759     18.311  55.950     24.247  85.759     27.933  71.693  19.046  89.897  18.414  -18.20443      26.49260 
1 1 1 -2  14 39 o 48.913   16.949  23.950     17.658  19.490     21.017  34.653     32.562  46.787  18.094  57.339  22.424  -10.55243      28.81336 
1 1 1 -2  14 40 o 61.874   20.148  43.154     24.971  30.543     35.438  55.590     35.190  55.605  22.815  67.191  23.876  -11.58522      33.02415 
1 1 1 -2  14 41 o 38.509   16.661  4.8090     20.586  6.0899     29.137  3.5324     29.089  43.864  19.377  42.957  19.147  0.9072304      27.24089 
1 1 1 -2  14 42 o 49.168   18.060  24.677     20.340  36.506     32.715  17.223     25.971  56.939  22.413  46.663  19.375  10.27657       29.62707 
1 1 1 -2  15 1  o 87.455   16.579  75.899     24.390  53.975     32.630  103.658    36.715  70.516  23.035  98.474  21.917  -27.95814      31.79584 
1 1 1 -2  15 2  o 110.033  16.216  118.569    30.220  101.685    41.205  138.221    44.455  95.145  24.616  112.844 23.333  -17.69917      33.91683 
1 1 1 -2  15 3  o 74.706   18.021  56.954     23.235  59.899     31.052  53.207     35.024  74.341  22.214  69.912  23.886  4.428802       32.61911 
1 1 1 -2  15 4  o 107.563  12.461  108.504    22.970  88.268     27.382  156.567    42.201  93.966  17.328  123.115 20.342  -29.14951      26.72128 
1 1 1 -2  15 5  o 69.439   14.767  47.227     17.353  45.219     20.029  53.269     34.750  66.868  17.090  69.910  23.793  -3.041748      29.29463 
1 1 1 -2  15 6  o 68.599   17.307  47.733     20.729  47.733     20.729  0.0000     0.0000  68.599  17.307  ?       ?       0.000000       17.30680 
1 1 1 -2  15 7  o 157.690  12.563  232.385    34.304  232.385    34.304  0.0000     0.0000  157.690 12.563  ?       ?       0.000000       12.56322 
1 1 1 -2  15 8  o 55.497   15.965  30.633     16.300  30.633     16.300  0.0000     0.0000  55.497  15.965  ?       ?       0.000000       15.96464 
1 1 1 -2  15 9  o 59.348   14.219  34.539     14.541  31.554     16.417  45.412     31.330  56.255  15.970  65.399  22.581  -9.143826      27.65751 
1 1 1 -2  15 10 o 32.016   13.254  3.9366     12.102  2.5459     13.297  10.650     29.215  32.326  13.671  47.665  20.217  -15.33916      24.40561 
1 1 1 -2  15 11 f 108.524  11.477  109.634    21.419  95.651     24.533  154.455    43.922  99.475  14.555  120.494 21.673  -21.01959      26.10730 
1 1 1 -2  15 12 o 122.369  11.130  138.734    23.520  140.292    26.880  133.640    48.586  121.940 12.817  107.072 26.202  14.86822       29.16825 
1 1 1 -2  15 13 o 44.360   14.620  18.530     13.134  20.993     14.905  9.9753     27.779  46.939  15.580  46.450  19.709  0.4892502      25.12294 
1 1 1 -2  15 14 o 68.620   13.994  46.008     16.199  45.097     18.570  48.909     33.131  66.892  16.095  66.815  23.213  0.7699585E-01  28.24648 
1 1 1 -2  15 15 f 177.361  11.163  291.283    34.393  262.863    39.508  380.211    69.886  166.033 13.752  189.009 21.562  -22.97548      25.57392 
1 1 1 -2  15 16 o 52.745   15.683  27.789     15.507  27.789     15.507  0.0000     0.0000  52.745  15.683  ?       ?       0.000000       15.68347 
1 1 1 -2  15 17 f 65.420   14.128  42.172     15.666  41.482     17.776  44.571     33.147  63.990  15.963  64.039  23.125  -0.4862595E-01 28.09965 
1 1 1 -2  15 18 o 38.318   14.198  12.045     12.618  -1.1389    14.127  64.030     28.053  30.924  13.583  76.644  20.544  -45.71972      24.62813 
1 1 1 -2  15 19 o 36.206   13.832  9.8337     12.181  12.325     13.546  -0.6914    27.845  39.043  14.662  41.985  18.722  -2.941391      23.78005 
1 1 1 -2  15 20 o 102.271  11.920  98.922     20.886  93.372     23.929  116.677    42.798  97.621  14.477  99.547  24.733  -1.926292      28.65808 
1 1 1 -2  15 21 o 138.395  11.299  179.270    27.065  174.958    31.073  192.825    55.093  134.942 13.363  127.703 25.599  7.239120       28.87714 
1 1 1 -2  15 22 o 74.993   13.578  55.112     17.126  52.810     19.482  62.936     35.921  71.967  15.925  72.543  24.192  -0.5766296     28.96332 
1 1 1 -2  15 23 o 64.958   17.525  44.551     20.336  46.304     24.604  40.772     36.126  64.932  19.857  61.175  23.704  3.757240       30.92196 
1 1 1 -2  15 24 o 53.772   16.161  29.752     16.400  33.774     19.088  18.412     32.050  56.689  17.515  50.564  21.296  6.124737       27.57350 
1 1 1 -2  15 25 o 114.518  14.174  128.942    27.737  119.913    33.529  148.518    49.368  106.175 18.772  109.194 26.223  -3.018211      32.24989 
1 1 1 -2  15 26 o 115.299  13.936  130.571    27.487  134.066    33.184  122.933    49.060  113.675 17.262  96.003  27.720  17.67186       32.65504 
1 1 1 -2  15 27 o 13.712   6.9512  -29.5703   8.4679  -35.9893   9.0409  16.312     24.171  ?       ?       46.128  18.875  0.000000       18.87460 
1 1 1 -2  15 28 o 54.076   17.072  30.951     18.029  30.951     18.029  0.0000     0.0000  54.076  17.072  ?       ?       0.000000       17.07242 
1 1 1 -2  15 29 o 33.492   14.025  4.9128     13.774  4.9128     13.774  0.0000     0.0000  33.492  14.025  ?       ?       0.000000       14.02547 
1 1 1 -2  15 30 o 51.596   17.271  28.199     18.308  28.199     18.308  0.0000     0.0000  51.596  17.271  ?       ?       0.000000       17.27130 
1 1 1 -2  15 31 o 52.233   17.232  29.249     18.243  29.249     18.243  0.0000     0.0000  52.233  17.232  ?       ?       0.000000       17.23173 
1 1 1 -2  15 32 o 95.895   19.162  102.915    30.962  95.472     42.589  111.260    45.093  82.488  26.261  88.869  26.818  -6.380371      37.53451 
1 1 1 -2  15 33 o 53.637   19.239  32.278     22.901  36.036     31.121  27.839     33.820  55.719  21.884  52.460  21.974  3.258606       31.01176 
1 1 1 -2  15 34 o 53.215   18.777  31.952     21.727  18.482     30.789  45.314     30.664  47.818  20.530  60.007  22.153  -12.18893      30.20350 
1 1 1 -2  16 1  o 62.001   14.904  40.045     15.936  47.373     18.097  14.743     33.626  66.985  15.739  48.134  21.053  18.85060       26.28625 
1 1 1 -2  16 2  o 126.011  11.749  153.008    25.553  127.735    29.510  228.735    51.082  111.244 15.623  140.398 21.524  -29.15418      26.59627 
1 1 1 -2  16 3  o 66.675   14.899  46.126     16.908  51.800     19.437  28.472     34.283  69.738  16.261  53.353  22.216  16.38484       27.53163 
1 1 1 -2  16 4  o 36.678   14.031  11.047     12.543  7.1541     13.878  28.400     29.303  34.793  14.277  52.456  21.028  -17.66321      25.41639 
1 1 1 -2  16 5  o 57.097   16.564  35.196     17.480  35.196     17.480  0.0000     0.0000  57.097  16.564  ?       ?       0.000000       16.56387 
1 1 1 -2  16 6  o 40.680   15.315  14.887     14.796  14.887     14.796  0.0000     0.0000  40.680  15.315  ?       ?       0.000000       15.31468 
1 1 1 -2  16 7  o 41.929   17.145  13.239     19.927  13.239     19.927  0.0000     0.0000  41.929  17.145  ?       ?       0.000000       17.14483 
1 1 1 -2  16 8  o 74.438   20.614  65.593     27.710  65.593     27.710  0.0000     0.0000  74.438  20.614  ?       ?       0.000000       20.61396 
1 1 1 -2  16 9  o 59.657   17.266  39.175     19.014  16.218     22.713  92.953     34.763  44.608  18.279  86.636  22.705  -42.02781      29.14911 
1 1 1 -2  16 10 o 44.860   16.652  19.681     17.372  25.610     21.051  7.0239     30.759  49.472  18.337  44.206  19.697  5.266506       26.91127 
1 1 1 -2  16 11 o 86.099   16.377  78.758     23.721  77.173     28.713  82.166     42.099  81.164  20.310  75.631  26.172  5.532539       33.12831 
1 1 1 -2  16 12 o 84.403   16.445  75.996     23.365  76.620     28.697  74.770     40.243  80.683  20.368  72.663  25.563  8.020187       32.68538 
1 1 1 -2  16 13 o 24.408   11.434  -9.4279    12.236  -3.4192    14.213  -26.6349   24.051  29.158  13.158  30.641  14.808  -1.482378      19.80960 
1 1 1 -2  16 14 o 40.021   15.618  13.731     15.770  8.6204     19.298  24.005     27.361  38.892  16.460  49.398  20.132  -10.50692      26.00443 
1 1 1 -2  16 15 o 71.695   16.831  56.224     20.709  59.187     25.401  50.351     35.764  70.705  19.792  61.695  23.671  9.010433       30.85497 
1 1 1 -2  16 16 o 70.212   17.744  55.415     21.764  68.364     26.377  27.800     38.519  76.232  19.681  52.670  22.789  23.56265       30.11160 
1 1 1 -2  16 17 o 66.572   18.070  50.621     21.543  48.167     25.791  56.286     39.186  62.678  20.479  63.260  24.638  -0.5821266     32.03820 
1 1 1 -2  16 18 o 97.458   15.389  99.971     25.318  65.131     30.500  177.174    45.402  70.875  22.181  119.540 22.580  -48.66520      31.65164 
1 1 1 -2  16 19 o 46.297   16.459  22.672     16.725  14.207     19.869  43.257     30.984  41.685  17.091  58.089  22.092  -16.40421      27.93157 
1 1 1 -2  16 20 o 57.565   17.277  37.746     18.753  38.405     22.653  36.312     33.431  56.678  19.211  54.488  22.235  2.190742       29.38452 
1 1 1 -2  16 21 o 69.921   14.969  52.174     17.724  50.070     20.279  58.980     36.476  66.309  17.324  63.882  24.046  2.426407       29.63715 
1 1 1 -2  16 22 o 97.519   12.755  95.943     21.198  105.873    24.315  64.489     43.273  100.964 14.184  63.844  25.567  37.12004       29.23800 
1 1 1 -2  16 23 o 52.348   15.505  30.278     15.178  22.847     17.080  58.178     33.096  45.945  16.599  63.952  23.106  -18.00729      28.44976 
1 1 1 -1  0  1  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -1  0  2  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -1  0  3  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -1  0  4  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -1  0  5  o 81.877   22.847  70.689     28.260  70.689     28.260  70.689     28.260  81.877  22.847  81.877  22.847  0.000000       0.000000 
1 1 1 -1  0  6  o 350.618  25.966  1093.03    156.962 1093.03    156.962 1093.03    156.962 350.618 25.966  350.618 25.966  0.000000       0.000000 
1 1 1 -1  0  7  o 386.120  27.348  1324.11    182.255 1324.11    182.255 1324.11    182.255 386.120 27.348  386.120 27.348  0.000000       0.000000 
1 1 1 -1  0  8  o 1665.27  92.938  25099.55   2683.08 25099.55   2683.08 25099.55   2683.08 1665.27 92.938  1665.27 92.938  0.000000       0.000000 
1 1 1 -1  0  9  o 1093.09  42.877  10541.74   815.489 10541.74   815.489 10541.74   815.489 1093.09 42.877  1093.09 42.877  0.000000       0.000000 
1 1 1 -1  0  10 f 483.078  21.963  2053.20    184.381 2053.20    184.381 2053.20    184.381 483.078 21.963  483.078 21.963  0.000000       0.000000 
1 1 1 -1  0  11 o 1114.59  43.684  10965.28   847.183 10965.28   847.183 10965.28   847.183 1114.59 43.684  1114.59 43.684  0.000000       0.000000 
1 1 1 -1  0  12 o 791.820  32.210  5520.36    443.656 5520.36    443.656 5520.36    443.656 791.820 32.210  791.820 32.210  0.000000       0.000000 
1 1 1 -1  0  13 o 1471.27  56.995  19198.39   1459.18 19198.39   1459.18 19198.39   1459.18 1471.27 56.995  1471.27 56.995  0.000000       0.000000 
1 1 1 -1  0  14 o 361.241  18.365  1149.46    115.154 1149.46    115.154 1149.46    115.154 361.241 18.365  361.241 18.365  0.000000       0.000000 
1 1 1 -1  0  15 o 1133.30  44.400  11346.29   875.525 11346.29   875.525 11346.29   875.525 1133.30 44.400  1133.30 44.400  0.000000       0.000000 
1 1 1 -1  0  16 o 704.827  41.824  4411.41    510.568 4411.41    510.568 4411.41    510.568 704.827 41.824  704.827 41.824  0.000000       0.000000 
1 1 1 -1  0  17 o 125.643  13.838  142.865    29.418  142.865    29.418  142.865    29.418  125.643 13.838  125.643 13.838  0.000000       0.000000 
1 1 1 -1  0  18 o 1046.72  59.347  9794.72    1076.69 9794.72    1076.69 9794.72    1076.69 1046.72 59.347  1046.72 59.347  -0.000000      0.000000 
1 1 1 -1  0  19 o 136.239  21.083  173.538    46.578  173.538    46.578  173.538    46.578  136.239 21.083  136.239 21.083  0.000000       0.000000 
1 1 1 -1  0  20 o 1241.62  69.998  13887.75   1506.48 13887.75   1506.48 13887.75   1506.48 1241.62 69.998  1241.62 69.998  -0.000000      0.000000 
1 1 1 -1  0  21 o 911.042  36.383  7327.90    576.661 7327.90    576.661 7327.90    576.661 911.042 36.383  911.042 36.383  0.000000       0.000000 
1 1 1 -1  0  22 o 878.782  35.335  6819.41    540.201 6819.41    540.201 6819.41    540.201 878.782 35.335  878.782 35.335  -0.000000      0.000000 
1 1 1 -1  0  23 o 422.509  20.156  1572.78    147.926 1572.78    147.926 1572.78    147.926 422.509 20.156  422.509 20.156  0.000000       0.000000 
1 1 1 -1  0  24 o 69.946   15.459  48.519     16.511  48.519     16.511  48.519     16.511  69.946  15.459  69.946  15.459  -0.000000      0.000000 
1 1 1 -1  0  25 o 147.003  14.006  194.009    35.199  194.009    35.199  194.009    35.199  147.003 14.006  147.003 14.006  -0.000000      0.000000 
1 1 1 -1  0  26 o 71.893   15.468  50.975     17.041  50.975     17.041  50.975     17.041  71.893  15.468  71.893  15.468  0.000000       0.000000 
1 1 1 -1  0  27 o 47.724   16.305  25.826     12.197  25.826     12.197  25.826     12.197  47.724  16.305  47.724  16.305  0.000000       0.000000 
1 1 1 -1  0  28 o 81.000   15.219  63.101     19.302  63.101     19.302  63.101     19.302  81.000  15.219  81.000  15.219  -0.000000      0.000000 
1 1 1 -1  0  29 o 43.823   20.262  24.548     17.100  24.548     17.100  24.548     17.100  43.823  20.262  43.823  20.262  -0.000000      0.000000 
1 1 1 -1  0  30 o 386.915  27.580  1339.14    184.151 1339.14    184.151 1339.14    184.151 386.915 27.580  386.915 27.580  0.000000       0.000000 
1 1 1 -1  0  31 o 176.000  21.169  283.506    62.563  283.506    62.563  283.506    62.563  176.000 21.169  176.000 21.169  0.000000       0.000000 
1 1 1 -1  0  32 o 530.049  33.938  2523.60    311.145 2523.60    311.145 2523.60    311.145 530.049 33.938  530.049 33.938  -0.000000      0.000000 
1 1 1 -1  0  33 o 1039.71  41.800  9732.70    756.064 9732.70    756.064 9732.70    756.064 1039.71 41.800  1039.71 41.800  -0.000000      0.000000 
1 1 1 -1  0  34 o 44.392   17.036  23.475     12.485  23.475     12.485  23.475     12.485  44.392  17.036  44.392  17.036  -0.000000      0.000000 
1 1 1 -1  0  35 o 571.612  24.870  2894.63    247.156 2894.63    247.156 2894.63    247.156 571.612 24.870  571.612 24.870  0.000000       0.000000 
1 1 1 -1  0  36 o 42.583   16.931  21.920     12.157  21.920     12.157  21.920     12.157  42.583  16.931  42.583  16.931  0.000000       0.000000 
1 1 1 -1  0  37 o 443.855  30.015  1763.85    230.179 1763.85    230.179 1763.85    230.179 443.855 30.015  443.855 30.015  -0.000000      0.000000 
1 1 1 -1  0  38 o 258.982  23.045  603.065    102.312 603.065    102.312 603.065    102.312 258.982 23.045  258.982 23.045  0.000000       0.000000 
1 1 1 -1  0  39 o 265.935  23.269  635.208    106.144 635.208    106.144 635.208    106.144 265.935 23.269  265.935 23.269  0.000000       0.000000 
1 1 1 -1  0  40 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -1  0  41 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -1  0  42 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -1  0  43 o 410.049  28.547  1502.00    202.112 1502.00    202.112 1502.00    202.112 410.049 28.547  410.049 28.547  0.000000       0.000000 
1 1 1 -1  0  44 o 201.811  14.948  362.258    52.009  362.258    52.009  362.258    52.009  201.811 14.948  201.811 14.948  -0.000000      0.000000 
1 1 1 -1  0  45 o 375.916  18.198  1247.08    118.808 1247.08    118.808 1247.08    118.808 375.916 18.198  375.916 18.198  0.000000       0.000000 
1 1 1 -1  0  46 o 1000.16  37.577  8919.26    654.130 8919.26    654.130 8919.26    654.130 1000.16 37.577  1000.16 37.577  0.000000       0.000000 
1 1 1 -1  0  47 o 195.259  13.533  338.385    45.630  338.385    45.630  338.385    45.630  195.259 13.533  195.259 13.533  0.000000       0.000000 
1 1 1 -1  0  48 f 45.566   18.751  25.472     14.763  25.472     14.763  25.472     14.763  45.566  18.751  45.566  18.751  -0.000000      0.000000 
1 1 1 -1  0  49 o 240.300  14.383  510.971    59.854  510.971    59.854  510.971    59.854  240.300 14.383  240.300 14.383  0.000000       0.000000 
1 1 1 -1  0  50 o 204.211  15.871  371.961    55.804  371.961    55.804  371.961    55.804  204.211 15.871  204.211 15.871  0.000000       0.000000 
1 1 1 -1  0  51 o 563.851  35.722  2864.30    348.453 2864.30    348.453 2864.30    348.453 563.851 35.722  563.851 35.722  0.000000       0.000000 
1 1 1 -1  0  52 o ?        ?       -97.8178   9.9005  -97.8178   9.9005  -97.8178   9.9005  ?       ?       ?       ?       -0.000000      0.000000 
1 1 1 -1  0  53 o 990.746  59.228  9208.05    1016.21 9208.05    1016.21 9208.05    1016.21 990.746 59.228  990.746 59.228  -0.000000      0.000000 
1 1 1 -1  0  54 o 177.280  25.290  293.788    73.672  293.788    73.672  293.788    73.672  177.280 25.290  177.280 25.290  -0.000000      0.000000 
1 1 1 -1  0  55 o 198.405  17.941  354.374    60.983  354.374    60.983  354.374    60.983  198.405 17.941  198.405 17.941  0.000000       0.000000 
1 1 1 -1  0  56 o 454.753  21.750  1838.41    171.805 1838.41    171.805 1838.41    171.805 454.753 21.750  454.753 21.750  0.000000       0.000000 
1 1 1 -1  0  57 o 159.154  17.608  230.902    47.401  230.902    47.401  230.902    47.401  159.154 17.608  159.154 17.608  0.000000       0.000000 
1 1 1 -1  0  58 o 292.269  17.477  760.611    88.459  760.611    88.459  760.611    88.459  292.269 17.477  292.269 17.477  -0.000000      0.000000 
1 1 1 -1  0  59 o 173.107  16.658  271.244    49.280  271.244    49.280  271.244    49.280  173.107 16.658  173.107 16.658  0.000000       0.000000 
1 1 1 -1  0  60 o 176.219  16.744  281.329    50.452  281.329    50.452  281.329    50.452  176.219 16.744  176.219 16.744  0.000000       0.000000 
1 1 1 -1  0  61 o 53.871   25.985  38.315     28.380  38.315     28.380  38.315     28.380  53.871  25.985  53.871  25.985  0.000000       0.000000 
1 1 1 -1  0  62 o 226.861  24.336  478.251    93.598  478.251    93.598  478.251    93.598  226.861 24.336  226.861 24.336  -0.000000      0.000000 
1 1 1 -1  0  63 o 98.135   32.482  112.107    49.486  112.107    49.486  112.107    49.486  98.135  32.482  98.135  32.482  0.000000       0.000000 
1 1 1 -1  0  64 o 239.512  24.277  536.576    99.137  536.576    99.137  536.576    99.137  239.512 24.277  239.512 24.277  0.000000       0.000000 
1 1 1 -1  0  65 o 29.817   19.304  0.1426     23.706  0.1426     23.706  0.1426     23.706  29.817  19.304  29.817  19.304  0.000000       0.000000 
1 1 1 -1  0  66 o 90.103   23.901  87.143     32.489  87.143     32.489  87.143     32.489  90.103  23.901  90.103  23.901  -0.000000      0.000000 
1 1 1 -1  0  67 o 40.877   22.852  21.496     24.405  21.496     24.405  21.496     24.405  40.877  22.852  40.877  22.852  0.000000       0.000000 
1 1 1 -1  0  68 o 159.039  26.044  253.887    66.497  253.887    66.497  253.887    66.497  159.039 26.044  159.039 26.044  0.000000       0.000000 
1 1 1 -1  0  69 o 111.522  18.793  122.057    33.473  122.057    33.473  122.057    33.473  111.522 18.793  111.522 18.793  0.000000       0.000000 
1 1 1 -1  0  70 o 149.139  16.711  209.773    42.114  209.773    42.114  209.773    42.114  149.139 16.711  149.139 16.711  -0.000000      0.000000 
1 1 1 -1  0  71 o 26.802   17.533  -0.6985    20.284  -0.6985    20.284  -0.6985    20.284  26.802  17.533  26.802  17.533  0.000000       0.000000 
1 1 1 -1  0  72 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -1  0  73 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 -1  0  74 f 31.182   20.428  1.4230     27.685  1.4230     27.685  1.4230     27.685  31.182  20.428  31.182  20.428  0.000000       0.000000 
1 1 1 -1  0  75 o 121.785  29.825  175.789    54.932  175.789    54.932  175.789    54.932  121.785 29.825  121.785 29.825  0.000000       0.000000 
1 1 1 -1  0  76 f 145.477  17.321  209.229    42.352  209.229    42.352  209.229    42.352  145.477 17.321  145.477 17.321  -0.000000      0.000000 
1 1 1 -1  0  77 o 26.060   17.291  -1.3295    20.846  -1.3295    20.846  -1.3295    20.846  26.060  17.291  26.060  17.291  0.000000       0.000000 
1 1 1 -1  0  78 o 160.425  17.498  259.109    47.534  259.109    47.534  259.109    47.534  160.425 17.498  160.425 17.498  0.000000       0.000000 
1 1 1 -1  1  1  o 86.961   5.6237  66.310     8.4933  134.221    12.037  -1.0265    11.986  123.980 5.5603  29.814  12.805  94.16585       13.96028 
1 1 1 -1  1  2  o ?        ?       -0.3266    0.0510  0.0073     0.0867  -0.5038    0.0631  2.6462  1.1106  ?       ?       0.000000       1.110629 
1 1 1 -1  1  3  o 476.545  21.569  1988.40    179.475 2004.03    253.816 1972.77    253.816 476.740 30.654  472.955 30.905  3.785767       43.52899 
1 1 1 -1  1  4  o 135.466  13.351  161.943    31.169  190.610    44.086  133.291    44.075  146.574 17.576  121.590 21.549  24.98406       27.80806 
1 1 1 -1  1  5  o 7.9279   3.2990  0.1082     0.7553  0.0873     1.0674  0.1291     1.0688  9.2789  3.8960  9.3771  3.9152  -0.9818363E-01 5.523313 
1 1 1 -1  1  6  o ?        ?       -2.2614    0.0697  -2.5201    0.0999  -2.0167    0.0972  ?       ?       ?       ?       0.000000       ?        
1 1 1 -1  1  7  f ?        ?       -4.9208    0.1449  -6.5085    0.2266  -3.8217    0.1885  ?       ?       ?       ?       0.000000       ?        
1 1 1 -1  1  8  o 1226.15  39.433  13257.66   844.251 12925.77   1462.30 13423.60   1033.99 1195.92 70.338  1230.81 48.113  -34.89197      85.21906 
1 1 1 -1  1  9  o 963.534  30.518  8154.69    513.436 8590.88    889.319 7936.62    628.820 981.999 52.052  948.993 37.949  33.00592       64.41689 
1 1 1 -1  1  10 o 904.020  29.448  7175.95    464.826 6774.05    805.112 7376.89    569.289 871.194 53.182  915.379 35.618  -44.18433      64.00741 
1 1 1 -1  1  11 o 183.086  11.605  294.086    36.908  230.873    63.921  325.701    45.205  160.648 23.481  192.557 13.531  -31.91005      27.10090 
1 1 1 -1  1  12 o 827.057  23.338  5994.04    337.027 6507.44    476.634 5480.67    476.622 860.395 31.727  789.096 34.593  71.29944       46.93851 
1 1 1 -1  1  13 o 1533.41  41.435  20773.89   1109.40 21011.47   1568.93 20536.31   1568.92 1533.09 58.610  1515.24 59.300  17.85449       83.37650 
1 1 1 -1  1  14 o 408.738  15.737  1461.13    112.314 1303.86    194.509 1539.80    137.564 384.197 29.214  419.440 18.783  -35.24341      34.73125 
1 1 1 -1  1  15 o 409.822  15.941  1469.02    114.070 1418.02    197.557 1494.53    139.712 400.851 28.410  413.183 19.366  -12.33142      34.38237 
1 1 1 -1  1  16 o 501.850  18.240  2204.26    159.831 2330.38    276.826 2141.19    195.755 513.887 30.997  494.283 22.682  19.60431       38.40900 
1 1 1 -1  1  17 o 521.615  18.698  2381.81    170.300 2533.26    294.960 2306.08    208.576 535.677 31.676  512.873 23.291  22.80298       39.31744 
1 1 1 -1  1  18 o 317.725  12.048  882.355    66.840  916.768    94.532  847.951    94.521  323.250 16.807  310.780 17.490  12.46976       24.25595 
1 1 1 -1  1  19 o 485.016  15.438  2057.88    130.740 2016.70    184.893 2099.07    184.895 479.633 22.077  489.369 21.638  -9.736603      30.91334 
1 1 1 -1  1  20 o 601.931  20.918  3175.58    219.849 3178.10    269.252 3170.56    380.808 601.580 25.633  597.963 36.650  3.617249       44.72422 
1 1 1 -1  1  21 o 521.075  18.526  2378.22    168.561 2226.76    206.427 2681.27    292.001 503.713 23.470  550.930 30.473  -47.21768      38.46388 
1 1 1 -1  1  22 o 271.450  12.740  644.370    60.386  582.312    73.932  768.742    104.663 257.374 16.539  295.411 20.416  -38.03702      26.27473 
1 1 1 -1  1  23 o 269.759  11.224  636.210    52.865  697.568    74.754  574.825    74.771  281.891 15.244  255.639 16.846  26.25194       22.71924 
1 1 1 -1  1  24 o 274.187  11.334  657.380    54.261  673.850    76.729  640.903    76.745  276.931 15.935  270.007 16.356  6.924622       22.83508 
1 1 1 -1  1  25 o 894.388  25.156  7045.50    392.859 7076.46    555.585 7014.54    555.588 892.409 35.655  888.426 35.815  3.983276       50.53743 
1 1 1 -1  1  26 o 164.362  9.8319  237.046    28.087  271.566    39.716  202.509    39.726  175.656 13.042  151.270 15.248  24.38628       20.06518 
1 1 1 -1  1  27 o 414.409  16.153  1506.04    116.885 1507.44    143.158 1503.23    202.439 414.138 19.797  411.179 28.371  2.959442       34.59507 
1 1 1 -1  1  28 o 187.884  11.595  310.142    37.853  295.983    46.363  338.450    65.557  183.179 14.617  195.239 19.491  -12.06068      24.36311 
1 1 1 -1  1  29 o 938.349  30.614  7838.15    501.593 7814.93    614.331 7884.57    868.766 932.302 37.738  921.008 54.262  11.29327       66.09538 
1 1 1 -1  1  30 o 468.868  14.890  1928.91    121.897 2124.21    172.408 1733.69    172.370 491.022 20.109  442.572 22.378  48.45035       30.08599 
1 1 1 -1  1  31 o 693.037  29.026  4278.99    351.238 4322.72    496.733 4235.26    496.718 688.298 41.526  680.955 41.981  7.342590       59.04929 
1 1 1 -1  1  32 o 493.091  22.292  2149.50    191.930 2212.73    271.427 2086.27    271.432 496.303 31.485  481.423 32.480  14.87924       45.23534 
1 1 1 -1  1  33 o 501.608  22.450  2225.26    196.626 2082.26    278.036 2368.33    278.108 480.463 33.348  513.565 31.161  -33.10196      45.64141 
1 1 1 -1  1  34 f 509.196  22.688  2293.33    201.721 2182.26    285.222 2404.48    285.331 491.976 33.401  517.298 31.743  -25.32202      46.07864 
1 1 1 -1  1  35 o 559.371  19.676  2757.26    192.179 2402.66    332.805 2934.66    235.391 514.816 37.276  575.977 23.406  -61.16138      44.01473 
1 1 1 -1  1  36 o 556.470  19.442  2726.88    188.911 3045.72    327.372 2567.71    231.308 582.886 32.292  538.597 24.596  44.28918       40.59226 
1 1 1 -1  1  37 o 197.473  11.837  342.681    40.627  361.871    70.705  333.221    49.640  201.703 20.354  194.365 14.737  7.338043       25.12886 
1 1 1 -1  1  38 o 156.715  11.069  215.988    30.094  156.581    51.867  246.136    36.950  131.299 23.486  167.162 12.756  -35.86285      26.72653 
1 1 1 -1  1  39 o 581.096  20.365  2969.98    206.630 2907.73    357.863 3001.11    253.080 569.385 36.183  583.079 24.858  -13.69348      43.89938 
1 1 1 -1  1  40 o 563.487  35.268  2842.01    345.249 0.0000     0.0000  2842.01    345.249 ?       ?       563.487 35.268  0.000000       35.26777 
1 1 1 -1  1  41 o 232.609  12.202  474.850    49.387  543.627    85.903  440.894    60.360  247.910 20.016  223.736 15.547  24.17410       25.34471 
1 1 1 -1  1  42 o 167.770  20.306  250.959    58.274  250.959    58.274  0.0000     0.0000  167.770 20.306  ?       ?       0.000000       20.30636 
1 1 1 -1  1  43 o 240.417  15.506  508.731    64.744  568.828    91.523  448.530    91.602  253.493 20.863  224.388 23.740  29.10530       31.60480 
1 1 1 -1  1  44 o 456.176  21.023  1830.40    167.451 1961.07    236.834 1699.79    236.787 469.739 29.017  436.570 31.270  33.16895       42.65927 
1 1 1 -1  1  45 o 430.124  19.914  1626.35    149.563 1626.35    149.563 0.0000     0.0000  430.124 19.914  ?       ?       0.000000       19.91441 
1 1 1 -1  1  46 o 473.709  17.352  1969.70    143.526 1927.74    175.796 2053.61    248.560 467.958 21.515  480.304 29.785  -12.34589      36.74295 
1 1 1 -1  1  47 o 177.712  11.641  277.587    35.923  257.553    44.029  317.481    62.129  170.763 14.916  189.119 19.075  -18.35580      24.21495 
1 1 1 -1  1  48 o 520.480  16.006  2376.70    145.459 2294.27    205.563 2459.37    205.857 510.026 23.083  528.234 22.319  -18.20737      32.10861 
1 1 1 -1  1  49 o 357.693  14.800  1121.91    92.438  1116.49    113.198 1132.78    160.148 355.960 18.274  356.921 25.873  -0.9605103     31.67581 
1 1 1 -1  1  50 o 586.238  20.387  3026.61    208.683 3034.94    255.612 3009.97    361.370 585.771 24.991  578.340 35.964  7.430908       43.79436 
1 1 1 -1  1  51 o 600.485  20.776  3178.09    217.835 3185.71    266.810 3162.86    377.250 599.777 25.477  592.118 36.669  7.658997       44.65091 
1 1 1 -1  1  52 o 291.051  13.153  742.556    66.845  816.505    82.526  601.487    113.982 304.561 15.571  259.318 25.503  45.24350       29.88091 
1 1 1 -1  1  53 o 144.424  12.638  184.211    31.549  134.253    53.471  210.891    39.075  120.729 26.124  154.320 14.679  -33.59104      29.96539 
1 1 1 -1  1  54 o 401.207  15.682  1414.60    109.861 1218.24    189.958 1513.29    134.668 368.057 29.814  414.410 18.611  -46.35266      35.14643 
1 1 1 -1  1  55 o 25.335   12.382  -34.5346   18.140  -50.7458   31.072  -26.1531   22.342  34.634  16.761  31.996  15.132  2.638260       22.58099 
1 1 1 -1  1  56 f 21.428   10.816  -63.3843   19.194  -37.9596   34.738  -74.5570   23.028  40.404  19.034  23.646  11.925  16.75843       22.46116 
1 1 1 -1  1  57 o 125.736  12.289  140.055    26.635  145.723    38.821  135.013    36.612  127.268 17.970  122.481 17.627  4.786537       25.17218 
1 1 1 -1  1  58 o 227.353  10.847  453.331    43.061  517.194    61.826  393.164    60.010  241.945 14.705  210.485 16.459  31.45987       22.07128 
1 1 1 -1  1  59 o 174.837  10.755  269.216    32.672  296.151    46.390  242.706    46.023  182.752 14.661  165.029 16.180  17.72231       21.83431 
1 1 1 -1  1  60 o 86.742   16.746  68.785     24.444  96.461     46.674  58.324     28.695  101.509 26.167  79.430  20.538  22.07874       33.26427 
1 1 1 -1  1  61 o 163.238  12.820  236.207    36.245  341.472    65.983  190.717    43.376  194.719 19.677  145.574 17.410  49.14464       26.27361 
1 1 1 -1  1  62 f 133.731  13.162  159.347    30.336  209.588    57.140  139.628    35.798  151.064 22.336  124.240 16.944  26.82477       28.03590 
1 1 1 -1  1  63 o 170.572  10.899  257.243    32.292  292.825    46.940  225.274    44.493  181.064 14.982  158.299 16.332  22.76578       22.16294 
1 1 1 -1  1  64 o 204.237  13.359  371.093    47.376  389.833    57.940  333.288    82.295  208.508 16.037  188.852 25.618  19.65538       30.22383 
1 1 1 -1  1  65 o 311.871  14.647  866.326    79.759  857.378    97.528  884.396    138.594 308.110 18.209  307.702 26.040  0.4078979      31.77548 
1 1 1 -1  1  66 o 216.023  13.584  416.963    50.978  440.150    62.249  369.751    88.828  220.896 16.253  197.211 26.464  23.68539       31.05647 
1 1 1 -1  1  67 o 97.575   13.733  86.546     22.750  89.121     34.525  84.570     30.245  96.806  21.027  94.893  18.918  1.913147       28.28458 
1 1 1 -1  1  68 o 124.779  12.457  140.064    26.778  132.217    39.098  146.998    36.752  118.715 19.542  126.277 17.109  -7.561729      25.97306 
1 1 1 -1  1  69 o 123.503  12.521  137.617    26.627  157.054    39.042  120.714    36.408  130.075 17.645  113.193 19.101  16.88158       26.00402 
1 1 1 -1  1  70 o 116.027  14.287  123.208    28.333  155.328    37.552  80.757     43.171  129.294 17.050  89.769  26.027  39.52486       31.11404 
1 1 1 -1  1  71 o 41.334   16.722  7.9324     18.716  40.117     27.822  -18.6714   25.295  65.400  21.266  36.258  16.802  29.14263       27.10211 
1 1 1 -1  1  72 o 156.240  16.602  227.365    44.598  278.888    64.527  180.244    61.709  169.129 22.402  131.877 27.681  37.25246       35.61023 
1 1 1 -1  1  73 o 110.187  19.280  117.450    35.743  125.538    53.100  110.749    48.332  108.720 27.849  102.700 26.703  6.019424       38.58240 
1 1 1 -1  1  74 o 36.402   16.027  -3.1216    19.770  -32.8791   38.869  7.2634     22.962  42.753  20.139  43.822  18.209  -1.069157      27.15024 
1 1 1 -1  1  75 o 134.671  14.425  168.820    33.392  150.954    59.214  177.151    40.435  116.753 29.139  136.135 17.410  -19.38226      33.94382 
1 1 1 -1  1  76 o 30.013   14.115  -17.7048   18.954  5.2235     36.982  -25.8726   22.073  51.297  22.263  30.795  14.699  20.50159       26.67727 
1 1 1 -1  1  77 o 124.213  15.949  147.585    33.792  148.730    61.823  147.097    40.353  112.049 30.694  121.352 19.722  -9.302422      36.48360 
1 1 1 -1  2  1  o 888.515  29.131  6930.96    451.939 6930.96    451.939 0.0000     0.0000  888.515 29.131  ?       ?       0.000000       29.13079 
1 1 1 -1  2  2  o 717.403  23.997  4510.37    300.598 4441.25    368.150 4648.61    520.667 711.175 29.647  724.475 41.331  -13.30011      50.86480 
1 1 1 -1  2  3  o 92.881   9.8065  76.204     15.663  61.173     19.174  106.357    27.158  82.547  13.789  109.334 14.590  -26.78662      20.07498 
1 1 1 -1  2  4  o 289.040  11.443  730.007    57.751  698.623    70.722  792.817    100.051 282.321 14.394  300.375 19.176  -18.05383      23.97776 
1 1 1 -1  2  5  o 467.887  14.579  1913.96    119.104 1774.64    145.861 2192.73    206.326 450.338 18.550  500.225 23.623  -49.88644      30.03527 
1 1 1 -1  2  6  o 662.390  18.847  3839.72    217.984 4477.76    377.595 3520.78    266.963 713.961 30.289  633.800 24.123  80.16089       38.72171 
1 1 1 -1  2  7  o 192.960  10.507  326.273    35.269  411.486    61.124  283.743    43.182  216.294 16.305  179.628 13.875  36.66666       21.40951 
1 1 1 -1  2  8  o 511.989  18.475  2293.89    165.161 2323.32    286.093 2279.17    202.270 513.071 32.096  510.039 22.713  3.031586       39.31972 
1 1 1 -1  2  9  f 470.629  20.499  1939.35    168.454 0.0000     0.0000  1939.35    168.454 ?       ?       470.629 20.499  0.000000       20.49940 
1 1 1 -1  2  10 o 634.786  26.432  3535.27    292.968 0.0000     0.0000  3535.27    292.968 ?       ?       634.786 26.432  0.000000       26.43204 
1 1 1 -1  2  11 o 763.560  30.056  5122.99    400.710 0.0000     0.0000  5122.99    400.710 ?       ?       763.560 30.056  0.000000       30.05555 
1 1 1 -1  2  12 o 1138.94  36.617  11435.63   728.184 11552.16   1261.22 11377.36   891.851 1131.82 64.082  1133.20 45.074  -1.380371      78.34626 
1 1 1 -1  2  13 o 729.280  24.851  4664.60    316.452 5116.78    548.092 4438.49    387.580 759.622 41.480  710.440 31.244  49.18134       51.93076 
1 1 1 -1  2  14 o 881.615  29.035  6829.30    446.958 7084.23    547.402 6319.41    774.177 896.629 34.965  840.251 53.040  56.37817       63.52770 
1 1 1 -1  2  15 o 217.750  11.820  415.624    44.773  387.185    54.811  472.654    77.618  209.868 15.057  231.533 19.378  -21.66457      24.54007 
1 1 1 -1  2  16 o 542.062  16.738  2571.09    158.424 2577.94    224.043 2564.23    224.048 542.170 23.666  540.720 23.730  1.450012       33.51468 
1 1 1 -1  2  17 o 428.622  14.195  1606.66    106.235 1383.88    150.221 1829.55    150.257 396.749 21.768  457.090 18.827  -60.34152      28.77982 
1 1 1 -1  2  18 o 1025.71  28.508  9251.70    510.566 9237.99    722.049 9265.41    722.049 1021.22 40.493  1022.76 40.433  -1.536316      57.22335 
1 1 1 -1  2  19 o 593.164  17.816  3080.90    184.521 3391.81    260.963 2770.04    260.941 621.615 24.043  561.414 26.619  60.20074       35.87011 
1 1 1 -1  2  20 o 422.247  14.039  1559.64    103.507 1592.94    146.385 1526.33    146.379 426.328 19.665  417.283 20.090  9.044464       28.11264 
1 1 1 -1  2  21 o 292.915  13.565  750.558    69.378  810.671    84.963  630.271    120.187 303.876 16.070  266.445 26.171  37.43085       30.71137 
1 1 1 -1  2  22 o 273.281  13.156  653.349    62.777  691.894    76.883  576.243    108.740 280.664 15.752  254.813 24.752  25.85085       29.33965 
1 1 1 -1  2  23 o 627.229  26.656  3466.64    291.934 3466.64    291.934 0.0000     0.0000  627.229 26.656  ?       ?       0.000000       26.65607 
1 1 1 -1  2  24 o 525.605  23.322  2431.04    214.036 2431.04    214.036 0.0000     0.0000  525.605 23.322  ?       ?       0.000000       23.32189 
1 1 1 -1  2  25 o 380.030  15.198  1265.59    100.845 1317.60    123.529 1161.67    174.612 387.440 18.260  361.467 27.881  25.97260       33.32851 
1 1 1 -1  2  26 o 433.196  20.510  1650.55    155.139 1650.55    155.139 0.0000     0.0000  433.196 20.510  ?       ?       0.000000       20.51039 
1 1 1 -1  2  27 o 531.058  18.910  2479.48    175.345 2342.31    214.729 2754.01    303.777 515.092 23.875  555.435 31.452  -40.34308      39.48704 
1 1 1 -1  2  28 o 649.800  22.308  3725.77    253.107 3716.48    309.977 3744.36    438.437 647.238 27.429  643.262 39.223  3.976074       47.86165 
1 1 1 -1  2  29 o 298.465  13.707  781.092    71.434  834.248    87.472  674.659    123.774 307.749 16.337  274.648 26.125  33.10120       30.81247 
1 1 1 -1  2  30 o 99.510   10.899  87.733     18.627  107.874    32.333  77.727     22.789  109.411 17.516  93.027  14.503  16.38390       22.74040 
1 1 1 -1  2  31 o 78.851   11.193  55.534     14.977  46.445     25.976  60.060     18.331  71.561  20.009  81.717  13.305  -10.15645      24.02885 
1 1 1 -1  2  32 o 383.902  15.383  1294.65    103.115 1143.19    178.559 1370.43    126.303 356.893 28.902  394.468 18.338  -37.57498      34.22847 
1 1 1 -1  2  33 o 179.879  11.029  284.427    34.472  381.155    60.468  237.853    41.958  207.520 16.833  163.936 14.818  43.58443       22.42608 
1 1 1 -1  2  34 o 568.007  19.672  2843.48    195.102 3175.31    338.192 2677.96    238.855 594.489 32.706  549.674 24.887  44.81482       41.09800 
1 1 1 -1  2  35 o 339.307  17.826  1015.28    105.242 0.0000     0.0000  1015.28    105.242 ?       ?       339.307 17.826  0.000000       17.82615 
1 1 1 -1  2  36 o 86.359   11.444  66.432     16.832  85.632     29.058  56.736     20.649  97.209  17.775  79.054  15.513  18.15533       23.59237 
1 1 1 -1  2  37 o 233.933  12.271  480.498    49.949  434.522    86.400  503.577    61.215  220.835 22.732  239.207 14.728  -18.37206      27.08566 
1 1 1 -1  2  38 o 331.498  14.043  962.873    81.282  929.837    140.704 979.419    99.578  323.542 25.103  333.605 17.153  -10.06277      30.40383 
1 1 1 -1  2  39 o 379.818  12.607  1262.99    83.608  1385.88    118.438 1140.91    118.042 397.407 17.068  359.892 18.850  37.51508       25.42953 
1 1 1 -1  2  40 o 121.514  9.3868  129.872    19.762  106.106    28.442  152.053    27.478  108.963 15.377  131.252 12.127  -22.28897      19.58330 
1 1 1 -1  2  41 o 322.905  11.949  912.493    67.373  935.072    95.553  890.170    95.008  326.060 16.841  318.067 17.171  7.993011       24.05124 
1 1 1 -1  2  42 o 663.237  19.112  3864.05    221.331 3737.07    313.035 3990.98    312.983 650.094 27.577  672.092 26.670  -21.99835      38.36437 
1 1 1 -1  2  43 o 386.974  13.038  1311.17    88.095  1348.10    124.715 1274.40    124.454 391.844 18.228  380.925 18.712  10.91901       26.12254 
1 1 1 -1  2  44 o 373.654  14.851  1223.61    96.894  1220.10    118.701 1230.63    167.737 372.753 18.238  372.383 25.960  0.3698730      31.72591 
1 1 1 -1  2  45 o 200.926  10.836  354.225    37.876  309.669    44.992  462.624    70.177  187.506 13.840  228.877 17.698  -41.37132      22.46681 
1 1 1 -1  2  46 o 336.086  13.370  989.403    78.462  920.847    95.391  1132.81    137.963 323.473 16.948  357.913 22.185  -34.44055      27.91830 
1 1 1 -1  2  47 o 441.726  20.020  1716.61    154.415 1548.24    218.050 1885.99    218.704 416.449 30.192  460.721 27.308  -44.27203      40.71000 
1 1 1 -1  2  48 o 317.328  16.699  886.437    92.198  785.615    129.915 988.740    130.866 297.048 25.288  334.094 22.566  -37.04562      33.89276 
1 1 1 -1  2  49 o 199.967  14.451  352.425    50.116  325.251    69.986  381.024    71.799  190.953 21.356  207.086 20.110  -16.13329      29.33437 
1 1 1 -1  2  50 o 190.816  11.661  320.009    38.665  308.539    46.902  344.338    68.308  187.009 14.477  196.719 20.172  -9.709854      24.82919 
1 1 1 -1  2  51 o 251.880  12.167  555.787    53.512  497.215    65.333  675.171    93.274  237.435 15.850  276.214 19.464  -38.77873      25.10139 
1 1 1 -1  2  52 o 298.803  12.802  782.629    66.794  757.976    81.577  832.775    116.345 293.301 15.989  306.288 21.899  -12.98666      27.11529 
1 1 1 -1  2  53 o 299.687  11.664  786.914    61.036  821.143    86.078  752.300    86.559  305.205 16.211  291.941 17.055  13.26468       23.52973 
1 1 1 -1  2  54 o 93.966   15.870  79.734     25.110  57.887     34.343  104.828    36.808  79.994  23.220  107.218 20.407  -27.22361      30.91279 
1 1 1 -1  2  55 o 354.848  16.244  1108.26    100.648 1285.12    170.432 1013.56    124.719 378.927 25.915  337.738 21.257  41.18884       33.51796 
1 1 1 -1  2  56 o 321.703  13.974  909.505    78.492  781.874    134.086 976.043    96.814  294.732 26.332  332.381 16.735  -37.64868      31.20035 
1 1 1 -1  2  57 o 143.801  17.414  185.152    42.833  0.0000     0.0000  185.152    42.833  ?       ?       143.801 17.414  0.000000       17.41410 
1 1 1 -1  2  58 o 270.627  13.369  644.176    63.174  739.667    109.519 596.560    77.337  287.394 21.992  259.261 17.181  28.13309       27.90754 
1 1 1 -1  2  59 o 53.316   19.662  20.109     24.144  71.233     49.433  4.0925     27.669  89.109  28.284  47.586  19.899  41.52384       34.58268 
1 1 1 -1  2  60 o 202.727  12.960  363.479    45.637  443.839    83.430  329.168    54.516  221.657 21.840  192.117 16.409  29.53999       27.31761 
1 1 1 -1  2  61 o 308.967  11.649  840.359    62.843  829.312    88.709  851.488    89.039  305.164 16.712  309.288 16.547  -4.123779      23.51813 
1 1 1 -1  2  62 o 146.817  11.695  191.150    29.732  178.649    41.413  204.447    42.711  140.617 17.227  150.758 16.495  -10.14142      23.85070 
1 1 1 -1  2  63 o 181.613  10.986  291.748    34.673  277.783    48.551  306.284    49.535  175.921 15.980  184.941 15.482  -9.019638      22.25003 
1 1 1 -1  2  64 o 104.946  13.945  99.444     24.921  99.669     34.861  99.209     35.640  103.400 20.032  103.014 20.535  0.3864136      28.68767 
1 1 1 -1  2  65 o 270.811  11.331  648.616    53.578  730.558    75.465  565.335    76.079  285.574 15.189  250.040 17.537  35.53401       23.20003 
1 1 1 -1  2  66 o 87.183   18.182  71.203     26.783  55.910     30.920  117.159    53.598  76.863  21.950  109.039 28.005  -32.17632      35.58199 
1 1 1 -1  2  67 o 113.904  15.436  118.649    29.910  109.059    34.548  147.345    59.762  107.891 19.035  121.531 28.633  -13.63924      34.38293 
1 1 1 -1  2  68 o 317.028  18.118  921.631    99.877  921.631    99.877  0.0000     0.0000  317.028 18.118  ?       ?       0.000000       18.11800 
1 1 1 -1  2  69 o 71.765   20.336  49.375     26.647  53.350     36.002  44.560     39.626  74.860  24.178  70.975  25.324  3.884552       35.01263 
1 1 1 -1  2  70 o 105.177  17.716  104.311    31.379  114.130    44.079  94.223     44.680  107.085 24.150  96.442  25.959  10.64294       35.45574 
1 1 1 -1  2  71 o 33.249   14.869  -6.2148    17.702  -3.5387    25.210  -8.8176    24.862  41.248  18.130  39.005  17.520  2.243660       25.21233 
1 1 1 -1  2  72 o 128.005  14.204  150.928    31.212  105.414    36.472  275.448    60.327  103.585 20.886  168.811 20.915  -65.22642      29.55782 
1 1 1 -1  2  73 o 185.362  11.834  311.149    38.102  335.724    53.773  286.369    53.997  189.507 16.413  173.735 18.064  15.77260       24.40689 
1 1 1 -1  2  74 o 27.682   13.123  -18.7960   17.002  -7.8013    26.725  -26.2722   22.038  40.485  18.176  30.788  14.693  9.697035       23.37202 
1 1 1 -1  2  75 o 190.843  11.693  331.446    38.776  378.004    55.001  285.435    54.677  200.541 15.836  171.916 18.506  28.62521       24.35711 
1 1 1 -1  2  76 o 39.171   16.875  1.5765     20.936  -1.1532    40.193  2.5929     24.526  50.835  22.592  42.380  18.261  8.455502       29.04932 
1 1 1 -1  2  77 o 74.112   20.235  56.596     26.921  73.599     47.623  48.611     32.635  80.748  27.843  68.521  23.059  12.22644       36.15131 
1 1 1 -1  3  1  o 551.086  23.703  2662.30    228.076 2917.75    322.558 2406.89    322.539 575.032 32.256  521.458 35.638  53.57385       48.06758 
1 1 1 -1  3  2  o 1531.31  59.464  21003.15   1589.94 21796.26   2248.52 20210.05   2248.51 1538.77 84.005  1478.35 87.497  60.41833       121.2955 
1 1 1 -1  3  3  o 842.096  27.477  6225.33    404.011 6154.33    699.749 6260.84    494.817 831.119 48.429  843.340 33.603  -12.22113      58.94490 
1 1 1 -1  3  4  o 950.891  29.375  7944.28    487.727 7502.51    844.739 8165.19    597.352 916.104 53.037  962.607 35.540  -46.50317      63.84347 
1 1 1 -1  3  5  o 1041.30  39.418  9575.72    716.686 8665.76    1013.50 10485.86   1013.59 981.839 59.398  1084.44 53.530  -102.6047      79.95937 
1 1 1 -1  3  6  o 666.049  21.892  3886.89    254.603 3569.17    311.803 4522.58    441.047 637.521 28.011  716.413 35.258  -78.89221      45.03029 
1 1 1 -1  3  7  o 920.580  29.473  7447.34    473.749 7434.96    820.537 7453.53    580.229 912.265 51.726  919.451 36.142  -7.185852      63.10114 
1 1 1 -1  3  8  o 252.000  10.833  554.914    47.666  529.679    67.407  580.153    67.413  245.574 15.804  257.119 15.082  -11.54527      21.84564 
1 1 1 -1  3  9  o 314.283  11.768  863.262    64.581  787.194    91.324  939.354    91.338  299.410 17.545  327.694 15.963  -28.28369      23.72031 
1 1 1 -1  3  10 o 164.758  9.7242  237.992    27.851  241.581    39.390  234.404    39.384  165.656 13.742  163.137 13.961  2.519073       19.58944 
1 1 1 -1  3  11 o 377.501  13.270  1245.91    87.471  1243.10    123.701 1248.72    123.703 376.806 18.802  377.660 18.759  -0.8543396     26.55955 
1 1 1 -1  3  12 o 393.206  13.742  1351.92    94.349  1365.14    133.430 1338.69    133.430 394.822 19.355  390.966 19.546  3.855530       27.50712 
1 1 1 -1  3  13 o 462.161  14.982  1868.33    120.897 1946.30    170.973 1790.36    170.977 471.288 20.777  451.941 21.667  19.34674       30.01860 
1 1 1 -1  3  14 o 238.310  10.701  496.315    44.528  469.943    62.964  522.702    62.981  231.228 15.688  243.998 14.854  -12.77055      21.60415 
1 1 1 -1  3  15 o 210.964  10.200  388.927    37.571  377.814    53.129  400.044    53.138  207.297 14.775  213.379 14.346  -6.081711      20.59383 
1 1 1 -1  3  16 o 419.940  13.903  1542.47    101.940 1498.62    144.161 1586.33    144.168 413.517 19.966  425.492 19.405  -11.97549      27.84233 
1 1 1 -1  3  17 o 1012.63  28.275  9025.43    499.934 8879.39    707.008 9171.48    707.020 1000.16 40.485  1016.75 39.825  -16.58777      56.78923 
1 1 1 -1  3  18 o 643.650  19.528  3631.90    219.464 3556.51    310.364 3707.30    310.375 635.553 27.968  648.999 27.389  -13.44641      39.14537 
1 1 1 -1  3  19 o 302.538  13.610  800.824    71.896  759.131    88.059  884.182    124.514 293.864 17.237  316.486 22.682  -22.62167      28.48891 
1 1 1 -1  3  20 o 461.647  17.540  1867.88    141.388 1749.79    173.169 2104.00    244.879 446.291 22.222  487.505 28.897  -41.21414      36.45357 
1 1 1 -1  3  21 o 303.040  17.026  807.515    89.724  807.515    89.724  0.0000     0.0000  303.040 17.026  ?       ?       0.000000       17.02588 
1 1 1 -1  3  22 o 789.687  32.663  5533.90    450.369 5533.90    450.369 0.0000     0.0000  789.687 32.663  ?       ?       0.000000       32.66259 
1 1 1 -1  3  23 o 309.841  13.865  840.858    75.012  856.297    91.840  809.919    130.010 311.972 16.923  302.011 24.875  9.961334       30.08626 
1 1 1 -1  3  24 o 240.195  15.163  507.807    63.267  448.461    89.400  567.349    89.547  224.383 23.151  253.146 20.433  -28.76303      30.87832 
1 1 1 -1  3  25 f 520.986  18.766  2386.52    170.713 2363.59    295.719 2397.98    209.067 513.650 33.149  521.319 22.968  -7.669128      40.32857 
1 1 1 -1  3  26 o 512.499  18.441  2310.19    165.025 2342.01    285.876 2294.28    202.098 511.216 32.191  509.758 22.706  1.457214       39.39296 
1 1 1 -1  3  27 o 249.052  15.620  546.722    67.583  519.884    95.594  573.542    95.561  241.492 22.946  254.003 21.756  -12.51187      31.62093 
1 1 1 -1  3  28 o 484.979  15.435  2065.64    130.706 2063.85    184.849 2067.42    184.844 483.323 21.904  483.746 21.884  -0.4227295     30.96246 
1 1 1 -1  3  29 o 655.135  19.308  3783.53    220.868 3656.26    312.353 3910.81    312.357 640.662 27.922  663.027 26.981  -22.36475      38.82828 
1 1 1 -1  3  30 o 232.802  10.560  474.563    42.926  505.175    60.840  444.217    60.574  239.429 14.623  224.319 15.561  15.11023       21.35393 
1 1 1 -1  3  31 o 338.247  12.247  1002.82    72.331  1036.93    102.385 968.843    102.199 343.309 17.080  331.288 17.732  12.02145       24.62004 
1 1 1 -1  3  32 o 259.845  12.858  591.947    58.337  603.006    101.030 586.415    71.453  260.218 22.456  257.854 15.948  2.364441       27.54280 
1 1 1 -1  3  33 o 323.686  14.097  919.132    79.675  1076.20    138.013 840.618    97.578  348.177 22.828  308.534 18.193  39.64212       29.19096 
1 1 1 -1  3  34 o 425.757  20.024  1597.10    148.862 0.0000     0.0000  1597.10    148.862 ?       ?       425.757 20.024  0.000000       20.02445 
1 1 1 -1  3  35 o 311.828  13.629  852.271    74.208  960.608    128.981 798.666    90.729  329.177 22.577  301.006 17.336  28.17075       28.46496 
1 1 1 -1  3  36 o 355.970  14.437  1110.74    89.734  1293.94    155.828 1019.85    109.759 382.247 23.461  340.153 18.550  42.09332       29.90851 
1 1 1 -1  3  37 o 354.573  12.672  1100.83    78.451  1170.02    111.058 1031.92    110.836 365.069 17.422  342.218 18.619  22.85071       25.49912 
1 1 1 -1  3  38 o 655.305  19.161  3773.49    219.246 3880.64    310.103 3666.40    310.018 662.491 26.808  643.706 27.583  18.78503       38.46389 
1 1 1 -1  3  39 o 320.590  12.063  899.562    67.523  968.125    95.630  831.391    95.356  332.220 16.486  307.232 17.852  24.98782       24.29980 
1 1 1 -1  3  40 o 567.825  17.161  2829.17    170.143 3000.90    240.663 2657.57    240.572 583.488 23.622  548.758 25.107  34.73016       34.47285 
1 1 1 -1  3  41 o 105.756  9.9111  98.664     18.088  83.098     25.884  113.522    25.288  96.082  15.990  113.122 13.042  -17.03999      20.63428 
1 1 1 -1  3  42 o 293.710  10.574  754.605    54.227  803.493    76.597  705.483    76.780  302.815 14.487  283.241 15.585  19.57404       21.27809 
1 1 1 -1  3  43 o 416.626  13.683  1520.50    99.541  1519.44    140.659 1521.56    140.884 415.782 19.375  416.069 19.392  -0.2873840     27.41273 
1 1 1 -1  3  44 o 357.642  14.606  1121.09    91.207  1171.08    111.774 1021.48    157.783 365.213 17.528  338.775 26.895  26.43842       32.10267 
1 1 1 -1  3  45 o 103.127  14.822  95.125     25.923  95.125     25.923  0.0000     0.0000  103.127 14.822  ?       ?       0.000000       14.82230 
1 1 1 -1  3  46 o 599.441  23.866  3172.28    249.798 3172.28    249.798 0.0000     0.0000  599.441 23.866  ?       ?       0.000000       23.86597 
1 1 1 -1  3  47 o 575.066  18.545  2907.49    186.215 2732.58    227.857 3259.26    323.128 556.333 23.457  604.450 30.717  -48.11743      38.64920 
1 1 1 -1  3  48 o 84.261   10.992  63.192     15.787  62.737     20.565  63.845     24.632  83.368  14.663  83.711  17.419  -0.3430252     22.76904 
1 1 1 -1  3  49 o 409.931  13.727  1473.30    98.253  1448.08    138.893 1498.56    139.009 405.518 19.616  412.582 19.296  -7.063904      27.51592 
1 1 1 -1  3  50 o 657.794  19.182  3810.56    220.313 3616.48    311.480 4004.86    311.659 637.721 27.973  671.688 26.573  -33.96765      38.58276 
1 1 1 -1  3  51 o 338.976  12.664  1007.22    74.954  1022.14    105.509 992.021    106.499 340.352 17.816  335.195 18.265  5.157288       25.51532 
1 1 1 -1  3  52 o 433.021  16.587  1649.16    125.412 1563.97    215.925 1692.52    154.062 417.282 29.832  437.911 20.149  -20.62820      35.99893 
1 1 1 -1  3  53 o ?        ?       -104.9628  7.3450  -129.9342  8.5303  -33.3721   14.444  ?       ?       21.234  10.507  0.000000       10.50729 
1 1 1 -1  3  54 o 465.179  17.473  1907.31    141.924 1763.49    243.792 1981.04    174.552 441.419 31.844  473.044 21.133  -31.62561      38.21859 
1 1 1 -1  3  55 o 323.763  18.162  928.330    102.256 1073.58    144.435 782.360    144.790 346.467 24.024  293.989 28.567  52.47769       37.32570 
1 1 1 -1  3  56 o 148.287  23.747  200.643    59.411  0.0000     0.0000  200.643    59.411  ?       ?       148.287 23.747  0.000000       23.74703 
1 1 1 -1  3  57 o 136.275  24.934  171.201    57.144  0.0000     0.0000  171.201    57.144  ?       ?       136.275 24.934  0.000000       24.93440 
1 1 1 -1  3  58 o 351.917  15.065  1092.93    92.572  1092.58    159.471 1093.11    113.689 347.074 26.515  350.479 18.645  -3.404388      32.41430 
1 1 1 -1  3  59 o 231.464  13.089  473.543    52.682  388.175    89.720  518.465    65.083  205.865 25.506  241.645 15.507  -35.77972      29.85005 
1 1 1 -1  3  60 o 194.902  10.918  335.101    37.005  358.531    52.668  312.258    52.004  200.689 15.141  186.977 16.085  13.71237       22.09083 
1 1 1 -1  3  61 o 272.039  11.115  651.682    52.798  683.390    75.149  620.773    74.196  277.013 15.600  263.777 16.188  13.23624       22.48143 
1 1 1 -1  3  62 o 148.750  11.318  196.233    29.176  218.925    41.906  174.887    40.644  156.125 15.580  138.954 17.113  17.17072       23.14346 
1 1 1 -1  3  63 o 205.403  11.082  373.441    39.598  384.401    56.982  363.205    55.068  206.935 15.892  201.146 15.806  5.789352       22.41400 
1 1 1 -1  3  64 o 30.171   13.556  -6.8012    14.898  -4.2621    20.939  -9.4041    21.200  37.771  16.565  35.949  16.160  1.822296       23.14191 
1 1 1 -1  3  65 o 177.245  11.250  279.301    34.637  308.237    49.818  252.226    48.189  184.753 15.589  166.548 16.800  18.20396       22.91862 
1 1 1 -1  3  66 o 286.517  13.363  733.131    66.853  840.797    82.697  530.045    113.576 305.259 15.567  233.382 28.461  71.87677       32.43991 
1 1 1 -1  3  67 o 42.524   18.070  2.1406     23.412  2.1406     23.412  0.0000     0.0000  42.524  18.070  ?       ?       0.000000       18.07001 
1 1 1 -1  3  68 o 125.401  18.378  147.238    39.046  147.238    39.046  0.0000     0.0000  125.401 18.378  ?       ?       0.000000       18.37766 
1 1 1 -1  3  69 o 170.693  13.279  263.811    39.266  269.474    47.893  252.200    68.581  171.043 16.231  159.656 25.456  11.38736       30.19013 
1 1 1 -1  3  70 o 33.368   14.737  -3.9321    16.847  15.936     23.240  -25.9339   24.456  48.954  19.000  33.410  15.810  15.54409       24.71743 
1 1 1 -1  3  71 o 241.446  11.659  524.045    49.154  514.965    70.260  532.750    68.791  234.849 17.255  239.503 16.551  -4.653503      23.90961 
1 1 1 -1  3  72 o 57.853   17.426  31.890     19.053  30.975     27.640  32.719     26.299  59.128  21.144  59.793  20.686  -0.6654892     29.58061 
1 1 1 -1  3  73 o 58.450   17.870  32.791     19.929  31.241     30.031  34.011     26.640  59.734  21.944  60.408  20.825  -0.6734810     30.25242 
1 1 1 -1  3  74 o 100.104  13.841  93.652     23.545  87.979     33.044  99.503     33.557  93.360  20.803  99.972  19.923  -6.612213      28.80442 
1 1 1 -1  3  75 o 25.986   12.491  -22.4934   16.569  -6.8149    24.563  -35.5847   22.445  38.779  17.417  28.813  14.014  9.966143       22.35478 
1 1 1 -1  3  76 o 198.955  13.713  369.037    47.345  535.005    86.848  298.855    56.475  228.884 22.002  174.123 18.878  54.76132       28.99082 
1 1 1 -1  4  1  o 296.316  13.437  767.762    69.521  770.483    85.149  762.320    120.403 296.263 16.526  293.842 23.668  2.421356       28.86663 
1 1 1 -1  4  2  o 405.545  15.878  1439.02    112.433 1439.37    137.706 1438.33    194.727 405.370 19.455  403.592 27.802  1.778473       33.93324 
1 1 1 -1  4  3  o 235.443  10.562  484.431    43.419  499.214    61.401  469.645    61.407  238.438 14.822  231.194 15.298  7.243347       21.30054 
1 1 1 -1  4  4  o 792.411  22.147  5505.83    306.428 5507.37    433.353 5504.29    433.358 790.793 31.385  790.570 31.394  0.2228394      44.39096 
1 1 1 -1  4  5  o 267.564  10.803  625.664    50.469  541.296    71.358  710.103    71.388  248.146 16.564  284.568 14.414  -36.42148      21.95809 
1 1 1 -1  4  6  o 258.873  10.680  585.674    48.273  572.850    55.733  624.190    96.588  255.975 12.470  266.040 20.963  -10.06551      24.39109 
1 1 1 -1  4  7  o 154.005  9.6023  208.044    25.692  205.647    29.659  215.251    51.428  152.982 11.181  155.565 19.351  -2.583588      22.34924 
1 1 1 -1  4  8  o 308.158  11.949  830.166    64.293  792.474    90.923  867.859    90.925  300.354 17.412  314.443 16.620  -14.08856      24.07053 
1 1 1 -1  4  9  o 558.102  16.693  2726.63    162.669 2858.34    230.053 2594.93    230.043 570.725 23.085  543.650 24.234  27.07471       33.46985 
1 1 1 -1  4  10 o 775.856  21.485  5279.33    291.064 5374.30    411.627 5184.35    411.626 781.073 30.182  767.019 30.735  14.05377       43.07673 
1 1 1 -1  4  11 o 77.367   9.1055  53.024     12.065  33.553     17.052  72.541     17.073  60.807  15.886  90.428  11.042  -29.62098      19.34673 
1 1 1 -1  4  12 o 478.688  15.328  2005.50    128.117 1913.09    181.177 2097.93    181.193 466.888 22.224  489.035 21.220  -22.14709      30.72775 
1 1 1 -1  4  13 o 972.651  27.283  8328.08    463.361 8329.42    655.289 8326.74    655.295 968.677 38.743  968.518 38.750  0.1587524      54.79536 
1 1 1 -1  4  14 o 347.117  14.509  1054.53    87.939  1075.27    107.720 1013.07    152.268 349.862 17.691  338.336 25.973  11.52652       31.42569 
1 1 1 -1  4  15 o 187.943  11.800  310.128    38.525  279.311    47.195  371.672    66.695  177.950 15.339  205.021 18.842  -27.07162      24.29585 
1 1 1 -1  4  16 o 362.304  18.584  1154.24    117.171 1154.24    117.171 0.0000     0.0000  362.304 18.584  ?       ?       0.000000       18.58444 
1 1 1 -1  4  17 o 391.474  19.369  1345.20    132.394 1345.20    132.394 0.0000     0.0000  391.474 19.369  ?       ?       0.000000       19.36884 
1 1 1 -1  4  18 o 190.535  14.281  319.723    47.165  319.723    47.165  0.0000     0.0000  190.535 14.281  ?       ?       0.000000       14.28074 
1 1 1 -1  4  19 o 156.817  20.080  219.615    53.718  219.615    53.718  0.0000     0.0000  156.817 20.080  ?       ?       0.000000       20.07970 
1 1 1 -1  4  20 o 611.089  37.602  3355.49    399.264 3355.49    399.264 0.0000     0.0000  611.089 37.602  ?       ?       0.000000       37.60156 
1 1 1 -1  4  21 o 486.611  21.841  2086.56    185.578 1903.81    262.411 2269.40    262.482 461.056 32.810  504.606 29.925  -43.54935      44.40713 
1 1 1 -1  4  22 f 498.590  22.247  2192.97    193.674 2021.38    273.859 2364.66    273.934 474.590 33.258  514.508 30.631  -39.91876      45.21460 
1 1 1 -1  4  23 o 197.868  11.801  344.099    40.584  347.100    49.674  338.076    70.385  198.406 14.438  194.708 21.037  3.698044       25.51504 
1 1 1 -1  4  24 o 365.547  15.045  1172.95    96.028  1223.30    117.624 1072.31    166.287 372.864 18.067  346.223 27.740  26.64072       33.10444 
1 1 1 -1  4  25 o 319.465  14.139  895.544    78.866  887.232    96.598  912.160    136.580 317.078 17.516  319.865 24.644  -2.786346      30.23476 
1 1 1 -1  4  26 o 311.245  13.304  849.721    72.302  930.879    88.633  688.298    125.000 325.484 15.596  277.114 26.143  48.37045       30.44120 
1 1 1 -1  4  27 o 198.509  10.111  345.873    34.929  358.229    49.478  333.598    49.316  201.528 14.151  194.369 14.639  7.159058       20.35986 
1 1 1 -1  4  28 o 165.008  10.981  239.537    31.457  202.201    54.214  258.487    38.624  149.812 21.327  171.183 13.020  -21.37102      24.98738 
1 1 1 -1  4  29 o 498.038  18.323  2185.08    159.343 2262.23    275.912 2146.47    195.182 501.391 31.679  492.440 22.700  8.950989       38.97226 
1 1 1 -1  4  30 o 122.755  10.820  132.967    22.955  113.841    39.424  142.777    28.235  111.797 20.966  126.963 12.916  -15.16590      24.62547 
1 1 1 -1  4  31 o 324.471  14.192  923.682    80.405  968.384    139.145 901.273    98.518  329.805 24.335  319.592 17.724  10.21280       30.10525 
1 1 1 -1  4  32 o 651.280  18.904  3733.85    214.973 4011.45    304.069 3456.42    303.968 672.639 25.890  623.597 27.917  49.04187       38.07373 
1 1 1 -1  4  33 o 153.317  11.278  206.881    29.979  245.544    51.922  187.545    36.718  166.147 18.195  145.508 14.651  20.63954       23.36079 
1 1 1 -1  4  34 o 113.625  10.759  113.977    21.092  152.909    38.483  97.260     25.216  130.847 17.265  104.393 14.203  26.45344       22.35642 
1 1 1 -1  4  35 o ?        ?       -7.1483    1.8104  -55.0454   14.263  -6.3640    1.8252  ?       ?       6.4779  3.2776  0.000000       3.277555 
1 1 1 -1  4  36 o 821.263  26.859  5965.82    385.157 6371.74    667.269 5763.00    471.663 837.330 45.813  804.246 33.588  33.08429       56.80663 
1 1 1 -1  4  37 o 377.315  17.270  1249.53    113.775 1485.29    161.429 1016.83    160.381 409.986 22.638  337.950 27.416  72.03632       35.55406 
1 1 1 -1  4  38 o 73.014   10.872  47.657     13.437  66.123     18.715  28.008     19.306  85.962  12.864  56.686  17.632  29.27581       21.82554 
1 1 1 -1  4  39 o 715.381  19.562  4498.28    244.346 4353.19    345.527 4643.42    345.588 701.198 28.221  724.514 27.318  -23.31598      39.27748 
1 1 1 -1  4  40 o 329.117  13.645  948.817    78.410  875.298    95.938  1096.73    136.080 315.293 17.495  352.188 22.243  -36.89496      28.29905 
1 1 1 -1  4  41 o 129.145  11.737  147.172    26.177  142.627    31.908  156.527    45.778  126.725 14.693  131.859 20.553  -5.134254      25.26499 
1 1 1 -1  4  42 o 112.288  11.742  111.561    22.681  124.587    27.558  84.208     39.934  118.488 13.565  95.834  23.936  22.65366       27.51219 
1 1 1 -1  4  43 o 270.352  12.802  640.134    60.434  592.439    73.799  737.224    105.294 259.316 16.383  288.609 21.039  -29.29291      26.66584 
1 1 1 -1  4  44 o 290.098  11.741  736.748    59.470  674.484    83.886  799.662    84.322  276.569 17.461  301.446 16.078  -24.87717      23.73572 
1 1 1 -1  4  45 o 237.488  12.839  495.509    53.043  461.667    91.569  512.600    65.073  227.514 23.383  241.215 15.533  -13.70132      28.07192 
1 1 1 -1  4  46 o 371.358  15.177  1209.97    98.413  1222.00    120.375 1185.74    170.898 372.751 18.495  364.713 27.029  8.038422       32.75089 
1 1 1 -1  4  47 o 351.526  14.780  1084.14    90.719  1017.37    110.881 1219.34    157.778 339.511 18.777  370.429 24.533  -30.91827      30.89396 
1 1 1 -1  4  48 o 684.029  23.188  4137.09    276.949 3932.10    339.046 4548.13    480.104 664.406 29.226  708.143 38.979  -43.73779      48.71825 
1 1 1 -1  4  49 o 514.093  16.263  2322.70    145.984 2363.76    206.201 2281.44    206.706 516.958 22.844  507.740 23.316  9.218414       32.64156 
1 1 1 -1  4  50 o 99.693   13.137  88.656     22.311  61.331     30.097  121.990    33.241  81.794  20.974  116.596 16.814  -34.80230      26.88136 
1 1 1 -1  4  51 o 91.419   14.795  75.262     22.809  82.808     30.370  65.498     34.548  95.271  18.924  84.574  22.853  10.69644       29.67072 
1 1 1 -1  4  52 o 365.116  15.139  1172.07    96.516  1035.23    164.762 1243.56    119.088 339.180 28.073  375.508 18.163  -36.32819      33.43618 
1 1 1 -1  4  53 o 275.047  14.239  666.686    68.149  659.202    114.460 670.796    84.823  271.053 24.448  275.190 17.747  -4.137573      30.21034 
1 1 1 -1  4  54 o 600.115  20.722  3193.59    217.137 2977.85    374.960 3302.44    266.341 568.111 38.019  608.069 25.086  -39.95746      45.54934 
1 1 1 -1  4  55 f 241.582  11.484  512.240    48.443  427.209    67.404  603.086    69.671  219.120 17.770  261.148 15.347  -42.02783      23.47997 
1 1 1 -1  4  56 o 343.098  12.712  1035.20    76.152  1056.77    107.792 1013.72    107.599 344.966 17.958  337.733 18.315  7.233185       25.64964 
1 1 1 -1  4  57 f 290.616  17.422  751.313    87.997  0.0000     0.0000  751.313    87.997  ?       ?       290.616 17.422  0.000000       17.42189 
1 1 1 -1  4  58 o 324.985  18.128  942.292    102.457 0.0000     0.0000  942.292    102.457 ?       ?       324.985 18.128  0.000000       18.12793 
1 1 1 -1  4  59 o 381.679  19.552  1306.83    129.866 0.0000     0.0000  1306.83    129.866 ?       ?       381.679 19.552  0.000000       19.55209 
1 1 1 -1  4  60 o 94.723   19.114  83.149     30.524  79.658     40.818  87.579     45.974  91.869  24.847  96.120  26.526  -4.251793      36.34566 
1 1 1 -1  4  61 o 132.038  13.232  155.911    30.095  168.707    35.909  125.715    55.164  136.876 15.286  114.186 27.905  22.69064       31.81722 
1 1 1 -1  4  62 o 37.853   15.994  1.5438     18.174  5.9001     21.379  -9.8039    34.506  42.995  17.690  47.222  20.962  -4.227020      27.42887 
1 1 1 -1  4  63 o 136.374  13.584  167.084    31.915  165.241    38.623  171.049    56.666  134.626 16.796  133.721 25.194  0.9057770      30.27939 
1 1 1 -1  4  64 o 232.697  13.011  483.690    52.651  489.852    64.051  470.851    92.457  232.917 15.844  223.617 24.058  9.300369       28.80632 
1 1 1 -1  4  65 o 118.648  17.333  130.168    34.849  113.197    46.193  152.585    53.090  107.516 25.068  125.190 25.160  -17.67448      35.51668 
1 1 1 -1  4  66 o 47.241   16.552  18.340     16.863  16.665     22.583  20.451     25.353  49.397  18.843  53.142  20.038  -3.744415      27.50643 
1 1 1 -1  4  67 o 29.848   13.647  -9.9126    15.918  -3.4424    20.986  -18.6785   24.427  37.812  16.583  35.577  16.495  2.234997       23.38955 
1 1 1 -1  4  68 o 96.911   15.482  87.454     25.316  81.269     29.874  103.214    47.685  91.906  19.233  100.423 26.725  -8.517410      32.92616 
1 1 1 -1  4  69 o 160.105  13.224  233.207    36.637  233.341    44.225  232.916    65.408  158.583 16.199  152.209 25.514  6.374069       30.22190 
1 1 1 -1  4  70 o 134.478  13.619  165.926    31.538  151.799    38.196  196.191    55.908  126.466 17.789  140.059 23.707  -13.59313      29.63918 
1 1 1 -1  4  71 o 81.188   16.705  63.368     22.891  84.048     32.111  42.000     32.640  91.971  20.517  66.476  23.043  25.49557       30.85365 
1 1 1 -1  4  72 o 107.035  13.718  106.471    25.048  79.321     34.574  136.465    36.339  87.970  22.438  118.950 18.064  -30.98034      28.80559 
1 1 1 -1  4  73 f 96.640   18.410  91.748     29.930  101.781    58.440  88.180     34.848  93.821  30.836  92.690  21.883  1.131226       37.81145 
1 1 1 -1  4  74 o 39.345   17.152  -0.1949    22.153  -16.0748   42.622  5.6828     25.931  48.152  22.132  44.620  18.990  3.531803       29.16263 
1 1 1 -1  4  75 o 47.592   19.094  14.840     24.182  34.666     49.567  8.6469     27.702  65.232  26.899  46.730  19.746  18.50119       33.36851 
1 1 1 -1  5  1  o 128.964  9.3956  146.131    21.012  164.693    29.717  127.575    29.712  136.636 12.598  119.861 14.491  16.77469       19.20170 
1 1 1 -1  5  2  o 147.816  9.4541  191.745    24.273  156.689    34.314  226.854    34.340  132.937 15.048  160.573 12.343  -27.63557      19.46242 
1 1 1 -1  5  3  o 420.423  16.145  1548.21    118.518 1659.55    205.304 1492.56    145.146 433.130 27.286  412.420 20.156  20.70932       33.92336 
1 1 1 -1  5  4  o 478.093  17.620  2003.43    147.092 2047.38    254.788 1981.47    180.144 480.479 30.528  474.978 21.721  5.501648       37.46707 
1 1 1 -1  5  5  o 97.985   10.509  84.903     17.700  111.895    30.700  71.463     21.663  111.875 16.186  89.234  14.393  22.64111       21.66016 
1 1 1 -1  5  6  o 285.317  13.086  712.315    65.191  650.651    79.827  835.788    112.959 271.965 16.894  307.784 21.147  -35.81931      27.06670 
1 1 1 -1  5  7  o 306.322  16.542  824.615    88.149  824.615    88.149  0.0000     0.0000  306.322 16.542  ?       ?       0.000000       16.54201 
1 1 1 -1  5  8  o 426.606  19.088  1596.97    142.184 1596.97    142.184 0.0000     0.0000  426.606 19.088  ?       ?       0.000000       19.08808 
1 1 1 -1  5  9  o 346.132  17.972  1053.70    108.241 1053.70    108.241 0.0000     0.0000  346.132 17.972  ?       ?       0.000000       17.97155 
1 1 1 -1  5  10 o 634.082  26.457  3547.78    292.919 3547.78    292.919 0.0000     0.0000  634.082 26.457  ?       ?       0.000000       26.45688 
1 1 1 -1  5  11 o 672.890  27.889  4002.15    327.677 4002.15    327.677 0.0000     0.0000  672.890 27.889  ?       ?       0.000000       27.88943 
1 1 1 -1  5  12 o 326.488  17.566  938.096    99.769  938.096    99.769  0.0000     0.0000  326.488 17.566  ?       ?       0.000000       17.56576 
1 1 1 -1  5  13 o 486.604  18.044  2079.12    153.310 2233.28    187.763 1770.77    265.546 503.746 21.347  444.460 34.487  59.28647       40.55937 
1 1 1 -1  5  14 o 206.301  14.688  374.918    52.564  367.610    74.323  382.232    74.349  203.270 21.255  207.394 20.812  -4.124039      29.74736 
1 1 1 -1  5  15 o 191.795  14.321  324.208    47.614  283.362    67.301  365.142    67.373  177.980 22.135  202.886 19.249  -24.90581      29.33339 
1 1 1 -1  5  16 o 171.200  14.121  258.661    41.834  268.720    59.154  248.598    59.172  173.631 19.869  166.751 20.773  6.880188       28.74561 
1 1 1 -1  5  17 o 215.998  12.170  409.924    45.710  427.534    55.971  374.655    79.209  220.298 14.634  204.829 22.519  15.46899       26.85632 
1 1 1 -1  5  18 o 441.722  17.054  1714.95    131.530 1750.47    161.070 1643.85    227.876 445.567 20.703  428.249 30.678  17.31799       37.01033 
1 1 1 -1  5  19 o 819.858  27.260  5974.77    390.233 6001.50    477.913 5921.28    675.969 818.005 33.460  799.542 48.651  18.46338       59.04682 
1 1 1 -1  5  20 o 343.989  14.000  1038.23    84.091  923.236    102.953 1268.70    145.752 323.303 18.313  378.214 22.167  -54.91153      28.75333 
1 1 1 -1  5  21 o 221.867  10.000  430.899    38.741  415.487    54.862  446.227    54.713  217.059 14.560  225.064 13.992  -8.004700      20.19305 
1 1 1 -1  5  22 o 256.841  12.627  578.456    56.629  586.795    69.414  561.861    97.921  257.947 15.484  250.951 22.589  6.995880       27.38647 
1 1 1 -1  5  23 o 458.839  21.238  1861.44    170.153 1960.60    240.628 1762.27    240.638 467.259 29.647  442.162 31.372  25.09656       43.16455 
1 1 1 -1  5  24 o 396.961  19.351  1390.37    134.124 1441.89    189.679 1338.85    189.681 401.320 27.230  386.259 28.322  15.06128       39.28843 
1 1 1 -1  5  25 o 362.777  14.983  1156.24    94.905  1223.33    164.324 1122.66    116.255 370.103 25.585  356.359 18.750  13.74384       31.71987 
1 1 1 -1  5  26 o 564.892  20.172  2816.73    198.967 3000.17    344.567 2724.97    243.703 576.076 34.413  553.917 25.197  22.15833       42.65149 
1 1 1 -1  5  27 o 83.852   11.553  62.748     16.465  113.340    28.363  37.034     20.221  112.671 14.773  63.889  17.576  48.78246       22.96013 
1 1 1 -1  5  28 o 355.814  12.513  1109.64    77.743  1099.83    109.982 1119.43    109.909 353.073 17.899  356.690 17.647  -3.617493      25.13529 
1 1 1 -1  5  29 o 385.150  13.470  1300.68    90.589  1337.66    128.165 1263.76    128.059 389.786 18.831  378.275 19.454  11.51050       27.07555 
1 1 1 -1  5  30 o 216.673  10.370  410.838    39.234  433.741    55.580  388.091    55.390  221.924 14.422  209.759 15.227  12.16479       20.97260 
1 1 1 -1  5  31 o 247.591  11.203  536.555    48.433  560.324    68.584  512.909    68.404  252.232 15.650  241.182 16.340  11.04903       22.62530 
1 1 1 -1  5  32 o 177.316  9.9563  275.884    30.701  304.709    43.533  247.364    43.302  186.007 13.496  167.299 14.982  18.70757       20.16431 
1 1 1 -1  5  33 o 294.355  13.363  759.001    68.684  807.799    119.446 734.896    83.951  301.859 22.831  288.893 16.714  12.96625       28.29538 
1 1 1 -1  5  34 o 733.081  24.584  4744.25    314.683 4736.82    545.153 4747.96    385.368 722.944 43.388  731.321 30.179  -8.376831      52.85120 
1 1 1 -1  5  35 o 52.690   14.599  25.052     13.894  -1.2453    24.883  36.965     16.748  43.221  18.504  63.667  15.263  -20.44597      23.98659 
1 1 1 -1  5  36 o 287.370  13.454  723.352    67.508  703.935    116.905 733.066    82.689  281.483 24.016  288.592 16.478  -7.108826      29.12509 
1 1 1 -1  5  37 o 449.522  16.207  1772.70    127.212 1701.84    155.801 1914.43    220.338 439.846 20.287  464.324 27.297  -24.47879      34.01006 
1 1 1 -1  5  38 o 611.434  20.486  3289.58    218.711 3314.11    267.868 3240.53    378.811 612.526 25.046  600.851 36.277  11.67480       44.08326 
1 1 1 -1  5  39 o 405.616  16.042  1443.46    113.614 1486.98    139.181 1356.53    196.695 411.221 19.384  389.996 29.094  21.22510       34.96013 
1 1 1 -1  5  40 o 459.591  14.938  1852.18    119.878 1960.77    169.530 1743.58    169.536 471.946 20.573  444.808 21.829  27.13763       29.99540 
1 1 1 -1  5  41 f 485.151  15.506  2064.88    131.354 2221.88    185.769 1907.91    185.756 502.203 21.185  465.022 22.877  37.18100       31.17991 
1 1 1 -1  5  42 o 273.327  11.586  654.053    55.293  658.394    78.022  649.672    78.373  273.363 16.422  271.510 16.612  1.853088       23.35876 
1 1 1 -1  5  43 o 653.415  19.336  3757.62    220.607 3982.40    311.980 3532.82    311.992 670.255 26.658  630.671 28.332  39.58435       38.90169 
1 1 1 -1  5  44 o 528.857  16.507  2456.77    152.429 2319.94    215.444 2593.92    215.690 512.157 24.092  541.921 22.795  -29.76465      33.16636 
1 1 1 -1  5  45 o 317.595  12.286  883.731    68.134  849.605    96.058  918.282    96.655  310.301 17.804  322.746 17.214  -12.44492      24.76449 
1 1 1 -1  5  46 o 105.385  16.474  99.902     29.321  78.111     40.376  124.215    42.650  92.295  24.606  116.787 21.714  -24.49225      32.81667 
1 1 1 -1  5  47 o 405.961  19.762  1453.44    140.078 1453.44    140.078 0.0000     0.0000  405.961 19.762  ?       ?       0.000000       19.76165 
1 1 1 -1  5  48 o 76.824   19.665  54.053     26.491  54.053     26.491  0.0000     0.0000  76.824  19.665  ?       ?       0.000000       19.66534 
1 1 1 -1  5  49 o 292.274  17.540  755.174    89.100  833.770    125.018 674.042    127.019 305.666 23.607  273.717 26.925  31.94910       35.80878 
1 1 1 -1  5  50 o 254.427  13.867  570.239    61.371  499.955    104.254 607.510    75.919  235.528 25.771  262.124 16.674  -26.59557      30.69488 
1 1 1 -1  5  51 o 371.919  15.614  1217.69    101.397 1081.42    174.338 1287.35    124.648 345.843 29.142  381.724 18.701  -35.88190      34.62637 
1 1 1 -1  5  52 o 294.472  12.098  761.173    62.202  729.920    87.221  793.518    88.732  287.002 17.488  299.396 17.044  -12.39331      24.42017 
1 1 1 -1  5  53 f 248.320  11.543  541.278    50.047  580.293    70.200  500.953    71.370  256.039 15.779  237.475 17.332  18.56432       23.43880 
1 1 1 -1  5  54 o 132.668  11.522  155.732    26.426  131.497    36.963  181.068    37.795  120.556 18.120  142.437 15.444  -21.88142      23.80897 
1 1 1 -1  5  55 o 189.438  11.171  316.375    36.787  286.376    51.728  347.074    52.328  179.092 16.736  197.643 15.282  -18.55058      22.66316 
1 1 1 -1  5  56 o 381.857  13.426  1286.22    89.518  1443.30    127.018 1131.21    126.181 402.833 18.058  355.173 20.433  47.65967       27.26905 
1 1 1 -1  5  57 o 69.166   16.630  44.185     19.837  50.323     28.918  38.729     27.263  73.945  21.262  66.103  21.008  7.842148       29.88968 
1 1 1 -1  5  58 o 192.779  15.969  332.647    53.270  310.515    75.621  354.447    75.052  183.315 24.218  196.847 22.225  -13.53209      32.87064 
1 1 1 -1  5  59 o 142.857  13.245  182.235    32.663  183.938    57.319  181.415    39.748  140.020 24.327  141.710 16.365  -1.690018      29.31947 
1 1 1 -1  5  60 o 84.868   20.031  67.703     29.205  41.017     41.860  93.013     40.767  71.518  25.963  98.758  23.899  -27.24067      35.28803 
1 1 1 -1  5  61 o 54.381   19.787  22.654     24.335  2.7470     35.181  40.917     33.697  51.848  22.094  68.587  23.429  -16.73988      32.20356 
1 1 1 -1  5  62 o 85.478   20.850  69.541     30.840  127.144    47.453  27.418     40.579  114.859 24.413  64.442  25.080  50.41684       35.00005 
1 1 1 -1  5  63 o 99.356   15.516  90.800     26.038  103.879    47.293  85.112     31.190  102.631 26.278  94.856  19.484  7.774529       32.71299 
1 1 1 -1  5  64 o 78.256   18.009  58.056     24.097  78.520     47.632  51.017     27.935  89.223  27.685  73.099  20.860  16.12351       34.66426 
1 1 1 -1  5  65 o 59.223   19.486  31.715     23.333  33.864     29.008  27.776     39.272  62.241  21.715  63.125  24.643  -0.8832550     32.84524 
1 1 1 -1  5  66 o 53.863   19.042  24.485     22.354  22.551     28.710  27.461     35.624  55.629  21.240  61.128  23.580  -5.499176      31.73548 
1 1 1 -1  5  67 o 139.648  13.464  177.872    32.423  189.090    39.356  154.172    57.202  142.765 16.067  122.113 27.490  20.65211       31.84131 
1 1 1 -1  5  68 o 40.771   15.574  11.298     15.440  17.732     20.586  3.0254     23.344  48.326  18.089  42.330  18.017  5.996376       25.53106 
1 1 1 -1  5  69 o 82.735   16.247  65.390     22.633  68.478     27.231  58.492     40.702  83.523  19.089  76.254  25.751  7.268532       32.05448 
1 1 1 -1  5  70 o 122.555  17.674  143.980    36.727  140.863    51.990  147.084    51.892  115.212 26.408  118.240 25.855  -3.028122      36.95782 
1 1 1 -1  5  71 o 77.178   21.179  60.671     29.404  53.049     40.194  69.445     43.128  72.471  25.542  80.693  26.489  -8.222328      36.79768 
1 1 1 -1  5  72 f 45.009   17.463  14.324     19.629  44.970     33.234  -2.0939    24.325  67.097  23.252  40.345  17.769  26.75209       29.26441 
1 1 1 -1  5  73 o 53.162   20.645  22.426     27.451  35.807     40.117  10.643     37.645  63.457  24.870  52.909  22.708  10.54826       33.67727 
1 1 1 -1  5  74 o 184.882  11.451  313.920    36.783  303.823    51.697  324.272    52.347  176.818 16.952  183.134 16.549  -6.316116      23.69104 
1 1 1 -1  6  1  o 339.385  17.783  1015.08    105.015 1018.16    148.517 1012.01    148.510 338.284 25.328  337.235 25.407  1.049011       35.87525 
1 1 1 -1  6  2  o 414.437  19.740  1512.04    142.845 1636.89    202.024 1387.21    202.003 428.821 27.121  393.888 29.587  34.93268       40.13687 
1 1 1 -1  6  3  o 208.729  14.691  383.999    53.202  370.071    75.222  397.940    75.257  203.781 21.464  211.550 20.636  -7.768509      29.77490 
1 1 1 -1  6  4  o 349.982  18.013  1079.71    109.704 1174.69    155.152 984.746    155.136 363.629 24.581  332.182 26.980  31.44635       36.49847 
1 1 1 -1  6  5  o 217.173  11.953  414.303    45.151  374.799    55.277  493.496    78.265  206.079 15.475  236.038 19.155  -29.95851      24.62511 
1 1 1 -1  6  6  o 295.547  13.330  765.646    68.791  747.631    84.235  801.719    119.196 291.259 16.632  300.417 22.896  -9.158569      28.29941 
1 1 1 -1  6  7  f 352.234  12.492  1087.06    76.827  1032.75    88.696  1250.24    153.737 343.073 14.807  375.317 23.579  -32.24350      27.84271 
1 1 1 -1  6  8  o 424.358  16.328  1582.08    120.982 1563.62    148.166 1619.00    209.564 421.186 20.147  425.712 28.355  -4.526733      34.78382 
1 1 1 -1  6  9  o 119.113  13.530  125.998    27.640  143.463    39.088  108.533    39.088  126.412 18.236  109.074 21.288  17.33842       28.03127 
1 1 1 -1  6  10 o 480.331  21.655  2037.82    181.622 1814.04    256.822 2261.70    256.882 448.660 33.015  502.789 29.389  -54.12857      44.20060 
1 1 1 -1  6  11 o 540.722  23.820  2589.66    224.890 2548.29    318.037 2631.03    318.047 531.230 34.474  540.111 33.896  -8.881165      48.34647 
1 1 1 -1  6  12 o 480.408  15.004  2026.81    125.854 2099.58    177.991 1954.04    177.977 487.609 20.906  470.205 21.678  17.40454       30.11599 
1 1 1 -1  6  13 o 249.662  10.908  545.927    47.551  501.153    67.237  590.729    67.258  238.197 16.264  258.918 14.941  -20.72130      22.08448 
1 1 1 -1  6  14 o 312.997  11.832  858.620    64.666  974.026    91.466  743.283    91.438  332.872 15.737  289.904 18.155  42.96863       24.02645 
1 1 1 -1  6  15 o 349.208  12.531  1069.41    76.406  1166.98    108.102 971.994    108.009 364.109 17.003  331.499 18.737  32.61087       25.30189 
1 1 1 -1  6  16 o 235.655  10.374  486.345    42.685  585.064    60.454  388.194    60.279  257.844 13.475  209.382 16.625  48.46196       21.39965 
1 1 1 -1  6  17 f 737.168  21.231  4807.42    273.277 5007.60    386.490 4607.28    386.456 747.734 29.602  716.418 30.894  31.31561       42.78703 
1 1 1 -1  6  18 o 404.387  19.575  1443.96    138.219 1500.23    195.471 1387.69    195.471 409.084 27.526  392.928 28.689  16.15582       39.75853 
1 1 1 -1  6  19 o 427.920  16.503  1611.57    123.309 1695.95    213.544 1569.36    151.033 434.767 28.284  421.356 20.529  13.41135       34.94847 
1 1 1 -1  6  20 f 337.831  14.320  1002.39    84.472  1039.11    146.298 984.024    103.460 341.101 24.732  333.713 17.820  7.388000       30.48299 
1 1 1 -1  6  21 o 178.983  11.360  281.819    35.317  398.579    61.242  223.640    43.230  212.196 16.663  158.720 15.809  53.47600       22.96917 
1 1 1 -1  6  22 o 341.794  14.485  1025.80    86.447  1031.66    149.697 1022.87    105.888 339.851 25.411  340.337 17.881  -0.4861145     31.07158 
1 1 1 -1  6  23 o 306.060  11.462  820.652    61.253  882.804    86.713  758.752    86.537  316.960 15.668  293.204 16.976  23.75580       23.10128 
1 1 1 -1  6  24 o 249.797  10.685  546.348    46.606  560.258    66.008  532.520    65.814  252.154 15.061  245.756 15.416  6.398239       21.55163 
1 1 1 -1  6  25 o 391.215  13.682  1342.22    93.462  1391.61    132.224 1292.91    132.126 397.507 19.050  382.511 19.851  14.99622       27.51305 
1 1 1 -1  6  26 o 197.172  10.507  341.214    36.043  329.865    51.082  352.466    50.864  193.280 15.260  199.913 14.674  -6.633560      21.17085 
1 1 1 -1  6  27 o 174.427  9.9616  267.043    30.214  290.724    42.880  243.694    42.578  181.622 13.621  166.032 14.844  15.58931       20.14587 
1 1 1 -1  6  28 o 618.550  21.317  3371.24    230.227 3430.56    281.961 3252.59    398.790 622.595 25.937  600.377 38.241  22.21844       46.20682 
1 1 1 -1  6  29 f 148.802  9.7957  194.512    25.309  195.125    35.979  193.911    35.609  148.555 14.037  148.101 13.934  0.4539185      19.77843 
1 1 1 -1  6  30 o 414.134  16.141  1504.91    116.716 1506.94    143.003 1500.86    202.004 413.889 19.788  410.492 28.357  3.396851       34.57870 
1 1 1 -1  6  31 o 321.590  13.657  906.141    76.686  874.299    132.811 922.066    93.925  313.740 24.437  323.697 16.675  -9.957062      29.58368 
1 1 1 -1  6  32 o 333.997  17.370  982.132    100.948 1043.30    143.120 921.576    142.407 342.984 24.050  321.923 25.545  21.06079       35.08469 
1 1 1 -1  6  33 o 186.785  14.446  307.617    46.749  325.401    66.807  290.553    65.440  191.254 20.317  180.453 21.171  10.80049       29.34254 
1 1 1 -1  6  34 o 480.446  21.957  2034.03    184.199 1999.30    260.723 2068.64    260.270 472.946 31.756  481.328 31.135  -8.382233      44.47332 
1 1 1 -1  6  35 o 499.262  32.353  2229.65    280.519 2229.65    280.519 0.0000     0.0000  499.262 32.353  ?       ?       0.000000       32.35294 
1 1 1 -1  6  36 o 630.507  18.328  3494.10    201.770 3619.18    285.345 3369.03    285.347 639.672 25.548  616.869 26.492  22.80322       36.80371 
1 1 1 -1  6  37 o 348.149  12.790  1061.76    77.751  1157.40    110.010 966.299    109.903 362.978 17.358  330.907 19.103  32.07132       25.81075 
1 1 1 -1  6  38 o 188.802  10.243  312.807    33.642  308.209    47.753  317.337    47.403  186.888 14.754  189.696 14.420  -2.808167      20.63006 
1 1 1 -1  6  39 o 128.223  9.5842  144.622    21.302  159.505    30.128  129.742    30.125  134.297 13.011  120.763 14.582  13.53470       19.54275 
1 1 1 -1  6  40 o 403.733  13.425  1428.81    94.636  1498.96    133.900 1358.80    133.772 412.764 18.579  392.838 19.502  19.92636       26.93534 
1 1 1 -1  6  41 f 257.217  11.130  579.273    49.988  562.906    70.616  595.712    70.771  252.659 16.091  260.012 15.661  -7.352570      22.45407 
1 1 1 -1  6  42 o 283.272  11.697  702.871    57.853  706.092    81.725  699.635    81.909  282.967 16.614  281.646 16.731  1.320801       23.57819 
1 1 1 -1  6  43 o 480.634  15.320  2028.77    128.569 2038.01    181.811 2019.54    181.838 480.307 21.679  478.098 21.782  2.208832       30.73191 
1 1 1 -1  6  44 o 436.341  16.842  1674.73    128.313 1616.45    157.088 1791.58    222.420 427.786 21.031  447.303 28.628  -19.51636      35.52277 
1 1 1 -1  6  45 o 264.545  23.506  625.094    107.446 625.094    107.446 0.0000     0.0000  264.545 23.506  ?       ?       0.000000       23.50579 
1 1 1 -1  6  46 o 105.000  17.794  99.777     31.459  118.751    43.485  78.941     45.567  113.825 22.676  92.993  26.675  20.83189       35.01102 
1 1 1 -1  6  47 o 166.856  16.054  247.252    46.194  261.599    64.610  232.249    66.072  170.398 22.246  159.865 24.447  10.53258       33.05375 
1 1 1 -1  6  48 o 358.755  18.893  1140.32    117.933 768.851    166.745 1512.12    166.821 289.538 33.608  411.770 23.298  -122.2312      40.89334 
1 1 1 -1  6  49 o 270.266  13.494  641.970    63.680  602.513    77.542  723.704    111.604 260.757 17.126  284.389 22.663  -23.63196      28.40646 
1 1 1 -1  6  50 o 128.029  13.628  145.761    29.996  107.706    50.979  165.914    37.098  107.451 27.159  136.273 15.890  -28.82286      31.46538 
1 1 1 -1  6  51 o 116.254  13.560  120.516    27.007  96.478     45.961  133.194    33.378  101.714 25.830  121.807 16.087  -20.09267      30.43045 
1 1 1 -1  6  52 o 108.112  13.946  104.661    25.713  109.699    42.053  101.652    32.494  108.787 22.865  105.610 18.283  3.177292       29.27623 
1 1 1 -1  6  53 o 418.161  14.100  1543.08    102.951 1453.76    145.254 1633.24    145.938 402.898 20.718  428.111 19.523  -25.21310      28.46711 
1 1 1 -1  6  54 o 283.097  11.847  705.681    58.561  683.046    82.471  728.701    83.169  276.733 17.152  286.010 16.727  -9.277252      23.95819 
1 1 1 -1  6  55 o 247.938  15.974  548.232    68.786  390.938    96.544  710.401    98.029  204.717 27.722  280.709 20.134  -75.99236      34.26212 
1 1 1 -1  6  56 o 169.720  15.599  258.223    45.709  245.080    64.642  271.366    64.642  162.690 23.431  171.870 22.049  -9.179016      32.17424 
1 1 1 -1  6  57 o 101.542  13.839  93.107     23.897  91.065     29.343  97.128     41.181  99.454  17.538  101.135 23.729  -1.680534      29.50711 
1 1 1 -1  6  58 o 192.638  15.299  333.270    51.037  248.764    71.321  421.958    73.064  161.880 26.122  215.043 19.677  -53.16301      32.70362 
1 1 1 -1  6  59 o 165.258  16.102  247.235    45.873  201.717    64.119  294.962    65.656  144.867 26.318  178.293 21.526  -33.42580      34.00010 
1 1 1 -1  6  60 o 84.398   17.241  66.564     24.549  84.198     43.483  58.315     29.742  92.970  25.850  78.276  21.226  14.69321       33.44807 
1 1 1 -1  6  61 o 83.897   17.721  66.242     25.145  20.320     45.718  86.158     30.108  63.676  25.995  95.646  18.698  -31.96964      32.02170 
1 1 1 -1  6  62 o 244.844  11.694  534.155    49.994  536.489    70.589  531.805    70.816  242.296 16.789  241.144 16.926  1.152191       23.83998 
1 1 1 -1  6  63 o 179.406  11.593  288.430    36.122  304.678    51.772  273.017    50.424  182.085 16.462  172.005 17.012  10.07980       23.67315 
1 1 1 -1  6  64 o 142.557  11.971  183.308    29.521  205.466    43.447  164.305    40.236  148.644 17.048  132.346 17.868  16.29785       24.69643 
1 1 1 -1  6  65 o 96.923   14.151  86.917     23.243  101.595    34.980  75.313     31.102  102.198 20.318  87.559  20.675  14.63926       28.98745 
1 1 1 -1  6  66 o 31.458   14.177  -7.0163    16.435  -6.7833    24.612  -7.2037    22.078  39.366  17.574  36.993  16.570  2.372803       24.15441 
1 1 1 -1  6  67 o 53.987   19.067  25.565     22.410  76.251     43.386  7.1207     26.172  85.231  26.419  46.018  19.305  39.21253       32.72058 
1 1 1 -1  6  68 o 158.116  13.671  230.586    37.373  296.605    65.374  198.534    45.550  172.437 22.230  143.443 18.626  28.99420       29.00191 
1 1 1 -1  6  69 o 58.783   19.607  32.974     23.596  58.810     45.143  23.262     27.678  75.498  27.020  54.245  20.821  21.25223       34.11123 
1 1 1 -1  6  70 o 95.671   29.471  105.953    54.085  105.953    54.085  0.0000     0.0000  95.671  29.471  ?       ?       0.000000       29.47069 
1 1 1 -1  6  71 o 54.906   20.746  25.961     27.210  25.961     27.210  0.0000     0.0000  54.906  20.746  ?       ?       0.000000       20.74588 
1 1 1 -1  6  72 o 76.728   21.495  62.384     29.947  62.384     29.947  0.0000     0.0000  76.728  21.495  ?       ?       0.000000       21.49474 
1 1 1 -1  7  1  f 412.022  16.121  1494.22    115.976 1484.89    142.032 1512.89    200.899 409.876 19.846  410.270 28.216  -0.3929749     34.49633 
1 1 1 -1  7  2  o 100.549  10.855  89.613     18.756  89.177     22.955  90.490     32.530  99.889  13.508  99.559  19.410  0.3301697      23.64771 
1 1 1 -1  7  3  o 256.525  15.758  581.124    70.242  601.028    99.344  561.225    99.330  259.485 22.138  250.472 22.968  9.012741       31.90030 
1 1 1 -1  7  4  o 237.106  12.396  494.518    51.143  417.909    88.556  532.857    62.646  215.601 23.927  245.792 14.664  -30.19020      28.06294 
1 1 1 -1  7  5  o 260.909  12.829  597.393    58.445  621.198    101.242 585.495    71.575  263.817 22.184  257.444 16.002  6.372070       27.35342 
1 1 1 -1  7  6  o 357.589  12.832  1122.16    80.121  1131.30    113.301 1113.02    113.314 357.657 18.203  354.711 18.359  2.946625       25.85308 
1 1 1 -1  7  7  o 189.260  10.208  314.650    33.609  317.064    38.799  307.393    67.266  189.796 11.766  185.181 21.185  4.615967       24.23289 
1 1 1 -1  7  8  o 137.908  9.3937  167.269    22.485  166.436    25.972  169.760    44.924  137.385 10.917  137.353 19.261  0.3234863E-01  22.14007 
1 1 1 -1  7  9  o 353.832  12.499  1098.38    77.219  1082.52    89.165  1145.96    154.433 350.963 14.550  358.029 24.858  -7.066406      28.80296 
1 1 1 -1  7  10 o 219.464  10.298  421.885    39.462  421.000    45.570  424.536    78.908  218.784 11.974  218.057 20.984  0.7268982      24.15993 
1 1 1 -1  7  11 o 591.909  17.566  3088.01    181.548 3029.40    209.626 3263.91    363.139 585.256 20.513  599.354 34.850  -14.09729      40.43928 
1 1 1 -1  7  12 o 157.510  11.200  218.510    30.602  241.244    37.459  172.888    53.064  165.290 13.086  137.888 22.839  27.40227       26.32269 
1 1 1 -1  7  13 o 553.147  24.298  2718.30    234.678 2726.79    331.859 2709.80    331.912 548.032 34.862  546.244 34.983  1.788391       49.38794 
1 1 1 -1  7  14 o 42.183   11.240  16.137     8.4285  31.325     14.680  8.6670     10.294  58.571  14.444  35.132  12.857  23.43951       19.33744 
1 1 1 -1  7  15 o 469.786  17.506  1943.71    143.594 2026.20    248.690 1902.46    175.875 474.719 30.159  463.684 21.723  11.03448       37.16796 
1 1 1 -1  7  16 o 266.092  12.982  621.056    60.317  720.462    104.460 571.333    73.878  284.742 21.162  254.288 16.732  30.45334       26.97758 
1 1 1 -1  7  17 o 183.520  9.9322  295.676    31.708  318.361    44.963  273.232    44.722  190.000 13.644  175.791 14.705  14.20909       20.05991 
1 1 1 -1  7  18 f 193.764  10.325  329.623    34.808  353.175    49.368  306.341    49.084  200.102 14.222  186.143 15.235  13.95937       20.84193 
1 1 1 -1  7  19 o 359.173  12.853  1130.92    80.608  1258.70    114.088 1003.54    113.904 378.295 17.272  336.905 19.446  41.39075       26.00882 
1 1 1 -1  7  20 o 524.471  18.741  2421.42    171.620 2541.99    297.443 2361.24    210.125 532.226 32.158  516.756 23.288  15.46997       39.70469 
1 1 1 -1  7  21 o 805.929  22.443  5734.89    315.821 6335.52    446.672 5134.46    446.604 843.177 30.339  757.218 33.778  85.95886       45.40331 
1 1 1 -1  7  22 o 385.313  17.923  1305.22    120.587 1476.11    170.961 1136.02    170.112 407.933 24.109  356.790 27.519  51.14294       36.58579 
1 1 1 -1  7  23 o 462.962  15.148  1880.35    122.451 1993.03    173.232 1767.82    173.113 475.598 20.861  447.660 22.147  27.93707       30.42460 
1 1 1 -1  7  24 o 380.155  12.981  1266.12    86.163  1407.69    121.941 1124.96    121.765 400.280 17.447  357.012 19.609  43.26852       26.24685 
1 1 1 -1  7  25 o 425.690  14.146  1588.51    105.142 1601.19    148.651 1575.82    148.735 426.527 19.960  423.105 20.133  3.421967       28.35003 
1 1 1 -1  7  26 o 539.449  16.345  2554.36    153.954 2294.72    217.649 2814.36    217.799 509.598 24.461  564.984 22.078  -55.38629      32.95077 
1 1 1 -1  7  27 o 143.807  10.526  181.916    26.246  196.252    36.981  167.366    37.255  148.934 14.400  137.213 15.841  11.72076       21.40828 
1 1 1 -1  7  28 o 375.804  18.922  1244.93    123.767 1212.56    175.180 1277.20    174.885 368.935 27.389  378.904 26.603  -9.968536      38.18208 
1 1 1 -1  7  29 o 444.388  20.900  1739.34    162.173 1625.39    229.443 1853.09    229.252 426.279 31.039  455.991 28.943  -29.71252      42.44011 
1 1 1 -1  7  30 o 219.069  15.197  422.957    57.771  417.096    81.939  428.749    81.463  216.425 21.989  219.546 21.528  -3.120850      30.77218 
1 1 1 -1  7  31 o 329.665  17.712  957.703    101.580 908.029    143.780 1007.21    143.533 319.246 26.020  336.683 24.586  -17.43716      35.79786 
1 1 1 -1  7  32 o 159.037  11.437  222.563    31.547  250.450    54.799  208.740    38.581  167.674 19.056  153.603 14.559  14.07092       23.98094 
1 1 1 -1  7  33 o 572.325  19.826  2884.07    198.121 2770.86    343.088 2940.72    242.671 554.737 35.609  576.754 24.097  -22.01770      42.99591 
1 1 1 -1  7  34 o 427.997  14.024  1606.21    104.802 1455.16    148.088 1757.78    148.336 405.761 20.974  446.923 19.009  -41.16241      28.30587 
1 1 1 -1  7  35 o 441.419  14.278  1709.00    110.046 1710.90    155.568 1707.10    155.690 440.644 20.219  440.146 20.258  0.4976196      28.62204 
1 1 1 -1  7  36 f 560.837  16.828  2764.22    164.794 2689.18    233.006 2839.32    233.102 551.237 24.208  566.618 23.561  -15.38098      33.78111 
1 1 1 -1  7  37 o 454.920  14.617  1816.09    116.104 1824.51    164.148 1807.67    164.243 454.807 20.670  452.679 20.779  2.127960       29.30949 
1 1 1 -1  7  38 o 106.725  12.947  101.305    23.632  115.451    28.258  68.389     43.104  113.783 14.557  87.293  26.192  26.49015       29.96550 
1 1 1 -1  7  39 o 238.634  10.857  498.683    45.237  520.613    63.899  476.648    64.050  243.014 15.134  232.368 15.882  10.64653       21.93782 
1 1 1 -1  7  40 o 458.902  14.857  1849.53    119.048 1933.25    168.331 1765.75    168.388 467.893 20.604  446.918 21.578  20.97473       29.83553 
1 1 1 -1  7  41 o 265.747  13.391  621.232    61.936  675.375    107.071 594.005    75.930  275.295 22.471  259.263 16.865  16.03110       28.09526 
1 1 1 -1  7  42 o 297.229  13.772  775.651    71.474  732.509    122.743 797.786    87.918  286.026 24.823  300.567 16.820  -14.54099      29.98486 
1 1 1 -1  7  43 o 512.237  18.867  2316.47    168.747 2491.58    291.903 2228.57    206.804 524.926 32.001  500.839 23.648  24.08691       39.79038 
1 1 1 -1  7  44 o 334.596  14.684  984.467    85.791  960.459    147.529 996.734    105.455 327.019 26.053  335.588 18.063  -8.569336      31.70262 
1 1 1 -1  7  45 o 459.693  16.754  1863.41    134.479 1571.10    164.384 2454.86    233.831 419.858 22.505  524.186 25.548  -104.3279      34.04646 
1 1 1 -1  7  46 o ?        ?       -211.0279  8.5747  -276.3127  12.208  -147.4606  12.046  ?       ?       ?       ?       0.000000       ?        
1 1 1 -1  7  47 o 334.837  14.539  987.427    85.003  937.260    103.881 1089.09    147.878 324.875 18.388  348.080 24.487  -23.20520      30.62256 
1 1 1 -1  7  48 o 139.506  12.896  172.618    31.058  184.283    37.431  146.840    55.643  143.771 15.138  125.557 26.227  18.21416       30.28218 
1 1 1 -1  7  49 o 133.904  11.287  158.628    26.144  170.405    36.998  146.883    36.947  138.023 15.628  127.723 16.989  10.30036       23.08328 
1 1 1 -1  7  50 o 172.678  10.682  262.946    32.049  238.725    45.085  287.687    45.567  163.459 16.002  179.891 14.634  -16.43239      21.68439 
1 1 1 -1  7  51 o 141.229  11.089  176.509    27.125  171.852    38.004  181.346    38.728  138.327 16.032  142.183 15.871  -3.856094      22.55874 
1 1 1 -1  7  52 o 40.349   15.045  11.047     14.213  22.469     19.319  -2.4271    20.983  52.094  17.740  38.791  16.802  13.30289       24.43419 
1 1 1 -1  7  53 o 156.150  12.802  216.945    34.598  216.250    42.229  218.364    60.341  155.140 15.810  153.482 23.243  1.657623       28.11089 
1 1 1 -1  7  54 o 107.995  13.678  105.023    25.214  109.108    30.884  96.860     43.661  109.322 16.710  100.754 24.949  8.567764       30.02847 
1 1 1 -1  7  55 o 110.525  16.885  111.856    31.552  97.522     43.267  128.136    46.111  100.857 24.753  116.251 23.524  -15.39391      34.14816 
1 1 1 -1  7  56 o 154.320  12.868  212.973    34.357  184.583    58.666  227.792    42.385  139.059 25.085  158.812 15.482  -19.75262      29.47762 
1 1 1 -1  7  57 o 268.006  11.633  637.196    54.439  628.512    76.910  645.916    77.067  263.430 16.808  267.182 16.602  -3.751617      23.62491 
1 1 1 -1  7  58 o 165.392  12.487  245.041    35.795  183.352    60.629  278.047    44.349  136.994 26.303  175.441 14.610  -38.44695      30.08794 
1 1 1 -1  7  59 o 36.736   15.061  4.7157     15.428  -3.2472    24.013  10.313     20.133  40.716  17.801  44.059  17.506  -3.342731      24.96667 
1 1 1 -1  7  60 o 176.574  12.796  280.799    39.184  195.598    67.065  324.960    48.282  138.868 28.611  189.097 14.740  -50.22955      32.18415 
1 1 1 -1  7  61 o 189.196  12.807  323.083    42.057  265.884    72.142  352.531    51.764  163.407 26.167  196.370 15.216  -32.96352      30.26966 
1 1 1 -1  7  62 o 51.730   16.218  24.581     16.298  23.245     23.574  25.803     22.556  53.430  19.470  54.640  19.143  -1.209629      27.30499 
1 1 1 -1  7  63 o 101.995  12.538  95.186     21.858  110.970    31.299  80.159     30.539  108.257 17.128  90.501  19.870  17.75602       26.23375 
1 1 1 -1  7  64 o 138.222  13.734  175.779    32.708  140.432    57.729  192.490    39.693  113.878 28.965  143.355 16.138  -29.47687      33.15779 
1 1 1 -1  7  65 o 175.325  12.938  281.368    39.328  404.950    69.435  222.996    47.720  204.635 19.675  152.518 18.284  52.11789       26.85909 
1 1 1 -1  7  66 o 82.594   17.195  66.445     23.992  -7.3937    43.002  99.818     28.910  51.035  22.972  101.897 16.837  -50.86216      28.48147 
1 1 1 -1  7  67 o 28.001   12.966  -11.0145   15.023  -17.9318   23.116  -5.9562    19.767  33.935  15.839  34.960  15.668  -1.024414      22.27895 
1 1 1 -1  7  68 o 76.645   15.997  57.277     20.716  51.845     30.707  61.815     28.065  70.676  22.278  77.528  20.441  -6.852142      30.23438 
1 1 1 -1  7  69 o 113.723  12.818  120.772    25.009  143.624    36.444  100.432    34.382  120.717 17.826  98.721  20.612  21.99630       27.25104 
1 1 1 -1  7  70 o 68.063   17.926  47.119     21.599  64.150     26.580  14.007     37.061  78.717  19.451  53.094  22.652  25.62255       29.85761 
1 1 1 -1  8  1  o 271.578  11.027  646.098    52.291  728.485    74.014  563.992    73.888  287.611 14.788  252.616 16.848  34.99490       22.41765 
1 1 1 -1  8  2  o 306.904  11.845  825.532    63.477  878.104    89.801  773.033    89.738  315.555 16.354  295.809 17.451  19.74579       23.91689 
1 1 1 -1  8  3  o 304.640  13.722  814.446    72.990  825.127    126.385 809.101    89.407  304.114 23.996  302.757 16.981  1.356781       29.39681 
1 1 1 -1  8  4  o 312.529  13.835  857.206    75.500  865.714    130.743 852.949    92.477  311.509 24.228  310.866 17.103  0.6430664      29.65645 
1 1 1 -1  8  5  o 514.335  18.672  2331.32    167.683 2426.16    290.409 2283.89    205.378 519.014 32.205  507.798 23.163  11.21591       39.66952 
1 1 1 -1  8  6  o 90.989   11.148  73.595     17.341  96.217     29.904  62.134     21.284  103.223 17.197  82.813  15.283  20.40945       23.00624 
1 1 1 -1  8  7  o 352.789  18.044  1098.64    110.780 1048.48    156.592 1148.89    156.742 342.479 26.390  358.961 25.167  -16.48123      36.46621 
1 1 1 -1  8  8  o 543.809  23.836  2619.41    226.329 2559.90    320.013 2678.97    320.142 532.361 34.615  545.065 33.805  -12.70410      48.38361 
1 1 1 -1  8  9  o 333.285  17.659  980.019    102.396 981.315    144.732 978.721    144.888 331.728 25.175  331.268 25.239  0.4596863      35.64810 
1 1 1 -1  8  10 o 413.182  15.894  1499.69    114.670 1552.93    140.449 1393.25    198.592 419.866 19.158  394.417 29.041  25.44925       34.79077 
1 1 1 -1  8  11 o 504.296  17.829  2237.14    156.991 2255.55    192.272 2200.30    271.924 505.429 21.787  495.208 31.613  10.22067       38.39351 
1 1 1 -1  8  12 o 469.628  16.717  1938.17    137.077 2023.21    167.891 1768.11    237.407 479.130 20.068  444.093 30.807  35.03741       36.76705 
1 1 1 -1  8  13 o 371.852  17.311  1215.53    112.400 1215.53    112.400 0.0000     0.0000  371.852 17.311  ?       ?       0.000000       17.31145 
1 1 1 -1  8  14 o 387.564  17.992  1321.02    121.756 1321.02    121.756 0.0000     0.0000  387.564 17.992  ?       ?       0.000000       17.99216 
1 1 1 -1  8  15 o 7.2979   3.6921  -8.0469    2.3128  -14.0041   8.2398  -7.5375    2.4096  17.694  8.5794  7.7713  3.9112  9.923020       9.428890 
1 1 1 -1  8  16 o 276.333  12.460  668.943    60.120  815.687    104.550 596.447    73.485  303.714 19.824  260.118 16.261  43.59674       25.63985 
1 1 1 -1  8  17 o 167.577  11.090  246.895    32.266  275.302    56.591  233.212    39.275  175.936 18.709  162.501 13.978  13.43539       23.35395 
1 1 1 -1  8  18 o 596.242  20.274  3131.30    211.069 3753.70    365.776 2820.59    258.438 648.427 32.307  564.212 26.233  84.21521       41.61603 
1 1 1 -1  8  19 o 394.549  15.278  1365.88    105.252 1606.42    182.642 1246.28    128.787 425.483 24.690  375.755 19.698  49.72775       31.58518 
1 1 1 -1  8  20 o 526.951  18.945  2442.89    174.313 2347.18    301.985 2490.71    213.466 511.153 34.030  531.118 23.018  -19.96579      41.08386 
1 1 1 -1  8  21 o 137.300  11.587  166.217    27.519  203.010    47.855  148.039    33.638  150.825 18.563  129.017 15.225  21.80803       24.00842 
1 1 1 -1  8  22 o 340.511  17.972  1022.06    106.475 987.414    150.713 1056.58    150.445 332.893 26.139  344.668 25.173  -11.77426      36.28917 
1 1 1 -1  8  23 o 456.533  21.034  1836.95    167.672 1908.31    237.246 1765.73    237.001 462.312 29.544  444.225 30.744  18.08664       42.63898 
1 1 1 -1  8  24 o 342.578  18.224  1034.85    108.618 892.342    153.742 1176.87    153.478 315.801 28.177  364.047 24.284  -48.24582      37.19796 
1 1 1 -1  8  25 o 651.869  27.435  3771.31    312.265 3867.68    441.723 3675.04    441.495 653.763 38.871  636.611 39.920  17.15234       55.71881 
1 1 1 -1  8  26 o 478.358  22.064  2019.49    184.285 1822.61    260.720 2216.07    260.517 450.179 33.407  497.942 30.105  -47.76303      44.97041 
1 1 1 -1  8  27 o 560.047  19.508  2762.02    190.764 2782.31    330.438 2751.87    233.628 556.212 34.190  557.792 23.988  -1.580383      41.76540 
1 1 1 -1  8  28 o 276.870  12.978  671.857    62.742  691.099    108.767 662.262    76.809  278.841 22.532  274.132 16.118  4.709137       27.70351 
1 1 1 -1  8  29 f 294.889  11.560  761.581    59.521  800.242    84.241  723.041    84.109  301.420 16.064  286.331 16.898  15.08963       23.31544 
1 1 1 -1  8  30 o 440.999  14.426  1706.40    111.085 1747.24    157.129 1665.59    157.066 445.176 20.214  434.547 20.701  10.62894       28.93336 
1 1 1 -1  8  31 o 490.439  15.455  2112.29    132.348 2059.96    187.135 2164.67    187.201 482.824 22.197  495.087 21.655  -12.26242      31.01090 
1 1 1 -1  8  32 o 87.462   11.293  68.104     16.844  75.464     23.985  60.942     23.660  91.439  15.581  81.740  17.125  9.698769       23.15277 
1 1 1 -1  8  33 f 460.759  14.838  1864.10    119.371 1861.41    168.748 1866.79    168.884 459.100 21.051  459.766 21.037  -0.6663513     29.76080 
1 1 1 -1  8  34 o 507.331  16.021  2262.60    141.921 2115.94    200.609 2409.54    200.803 488.681 23.510  521.951 22.033  -33.26990      32.22123 
1 1 1 -1  8  35 o 296.051  11.603  768.056    59.979  776.044    84.799  760.059    84.846  296.583 16.439  293.469 16.626  3.114075       23.38132 
1 1 1 -1  8  36 o 146.953  12.121  190.609    30.824  168.820    52.724  201.923    37.993  136.235 22.982  150.924 14.600  -14.68932      27.22759 
1 1 1 -1  8  37 o 439.199  16.779  1698.39    128.671 1638.20    222.601 1728.60    157.683 426.403 30.091  442.189 20.423  -15.78506      36.36722 
1 1 1 -1  8  38 o 301.533  13.730  798.526    72.291  748.993    124.648 823.630    88.739  289.058 24.941  305.358 16.707  -16.29990      30.01940 
1 1 1 -1  8  39 o 495.701  18.166  2168.81    157.229 2177.86    272.004 2164.27    192.680 490.254 31.950  493.806 22.347  -3.551422      38.98960 
1 1 1 -1  8  40 o 163.038  13.289  235.026    37.501  270.863    44.965  153.156    67.963  174.844 14.870  127.868 30.805  46.97614       34.20628 
1 1 1 -1  8  41 o 168.783  13.941  252.180    40.716  134.299    66.448  323.050    51.522  119.672 31.405  190.879 15.595  -71.20655      35.06369 
1 1 1 -1  8  42 o 205.560  16.145  374.947    57.482  233.451    79.229  532.200    83.524  158.419 29.735  244.250 19.754  -85.83163      35.69843 
1 1 1 -1  8  43 o 251.080  13.301  556.051    58.106  521.712    70.503  628.771    102.598 242.447 16.757  264.657 22.413  -22.20966      27.98451 
1 1 1 -1  8  44 o 318.543  14.233  894.153    79.162  840.399    96.515  1004.65    138.380 307.447 18.058  334.072 23.880  -26.62546      29.93942 
1 1 1 -1  8  45 o 156.864  16.490  220.039    44.490  307.086    61.507  124.520    64.431  184.875 19.340  114.722 31.297  70.15271       36.79054 
1 1 1 -1  8  46 o 307.327  17.042  840.171    91.092  741.735    127.711 942.110    129.964 285.219 25.927  323.002 23.198  -37.78302      34.79072 
1 1 1 -1  8  47 o 232.701  16.128  482.383    65.125  488.280    90.780  476.129    93.481  231.890 22.712  228.544 23.773  3.345886       32.87877 
1 1 1 -1  8  48 o 133.325  13.030  158.398    29.946  166.399    49.478  153.774    37.618  134.361 21.840  130.444 16.914  3.917236       27.62415 
1 1 1 -1  8  49 o 85.044   17.509  66.832     25.134  52.702     32.229  88.761     40.151  75.690  22.634  96.937  23.878  -21.24772      32.90097 
1 1 1 -1  8  50 o 72.708   15.322  48.748     18.839  34.842     21.727  90.870     37.814  61.917  18.600  98.143  22.541  -36.22615      29.22418 
1 1 1 -1  8  51 o 119.668  12.985  128.379    26.697  123.999    32.007  138.394    48.399  116.767 16.129  120.963 23.763  -4.196129      28.71968 
1 1 1 -1  8  52 o 73.463   16.152  50.161     20.154  51.375     23.370  46.635     39.813  74.045  18.204  73.381  25.449  0.6637497      31.28910 
1 1 1 -1  8  53 o 392.141  13.717  1370.99    93.920  1307.33    132.520 1435.24    133.130 377.946 20.154  397.292 19.191  -19.34677      27.82951 
1 1 1 -1  8  54 o 92.538   13.083  77.759     20.550  99.976     28.826  54.799     29.304  104.146 16.394  75.937  21.259  28.20876       26.84608 
1 1 1 -1  8  55 o 162.595  10.815  235.517    30.528  199.955    42.539  273.282    43.837  147.649 16.800  173.834 14.577  -26.18445      22.24222 
1 1 1 -1  8  56 o 41.183   15.510  11.687     15.179  13.741     21.095  9.4819     21.856  46.707  18.109  44.846  18.096  1.860535       25.60058 
1 1 1 -1  8  57 o 241.284  11.445  519.474    48.217  489.594    68.010  549.669    68.368  230.727 17.001  245.195 16.058  -14.46861      23.38586 
1 1 1 -1  8  58 o 125.789  13.108  143.917    28.367  123.997    47.272  155.127    35.461  111.129 24.971  129.406 16.038  -18.27750      29.67745 
1 1 1 -1  8  59 o 76.511   20.601  57.452     28.134  0.0000     0.0000  57.452     28.134  ?       ?       76.511  20.601  0.000000       20.60120 
1 1 1 -1  8  60 o 57.838   17.287  31.745     18.803  -22.0549   31.705  60.935     23.353  40.388  18.749  79.576  17.301  -39.18844      25.51156 
1 1 1 -1  8  61 o 47.118   18.536  14.288     22.362  0.0000     0.0000  14.288     22.362  ?       ?       47.118  18.536  0.000000       18.53609 
1 1 1 -1  8  62 f 94.590   15.745  85.002     25.090  80.521     45.111  87.009     30.190  86.677  26.951  94.080  19.032  -7.402718      32.99317 
1 1 1 -1  8  63 o 245.420  13.654  555.413    58.278  624.351    101.746 521.752    71.097  247.368 23.852  233.862 17.539  13.50630       29.60631 
1 1 1 -1  8  64 o 89.862   13.566  75.859     20.622  69.431     29.154  82.296     29.175  82.567  20.352  90.831  19.006  -8.264496      27.84651 
1 1 1 -1  8  65 o 120.993  11.684  134.683    24.376  120.108    34.303  149.550    34.645  110.164 18.488  124.697 16.302  -14.53260      24.64903 
1 1 1 -1  8  66 o 103.316  12.420  99.520     21.956  99.721     30.863  99.314     31.241  99.884  18.373  99.473  18.673  0.4113617      26.19620 
1 1 1 -1  8  67 o 45.268   15.628  18.620     15.005  11.037     19.862  28.701     22.901  42.695  17.243  54.776  19.283  -12.08079      25.86772 
1 1 1 -1  8  68 o 148.500  11.170  203.674    28.751  178.099    39.892  231.318    41.474  133.701 17.508  154.451 15.592  -20.75029      23.44498 
1 1 1 -1  9  1  o 82.114   11.703  60.234     16.304  55.090     20.223  69.785     27.558  77.875  15.418  87.418  18.625  -9.542854      24.17832 
1 1 1 -1  9  2  f 706.073  23.681  4409.20    291.948 4634.24    357.588 3959.33    505.594 721.847 28.371  657.302 44.311  64.54449       52.61579 
1 1 1 -1  9  3  o 224.583  10.453  441.455    40.991  458.204    58.024  424.768    57.915  228.063 14.649  219.471 15.207  8.591949       21.11457 
1 1 1 -1  9  4  o 100.765  9.4922  89.614     16.504  88.621     23.442  90.590     23.240  99.587  13.857  100.757 13.554  -1.170006      19.38324 
1 1 1 -1  9  5  o 283.851  11.288  705.494    55.945  798.483    79.170  612.745    79.067  301.635 15.032  263.461 17.284  38.17471       22.90586 
1 1 1 -1  9  6  o 375.208  13.061  1233.92    85.569  1263.76    121.034 1204.11    120.991 379.001 18.290  369.398 18.821  9.603455       26.24366 
1 1 1 -1  9  7  o 189.065  9.8610  313.621    32.440  322.767    37.483  286.326    64.754  191.670 11.249  178.974 21.129  12.69533       23.93680 
1 1 1 -1  9  8  o 671.459  19.735  3971.47    231.381 3981.12    267.175 3942.51    462.769 671.278 22.795  658.608 40.437  12.66986       46.41932 
1 1 1 -1  9  9  o 224.535  11.917  442.820    46.554  442.820    46.554  0.0000     0.0000  224.535 11.917  ?       ?       0.000000       11.91708 
1 1 1 -1  9  10 o 527.459  18.619  2448.32    171.480 2448.32    171.480 0.0000     0.0000  527.459 18.619  ?       ?       0.000000       18.61918 
1 1 1 -1  9  11 o 260.218  10.756  592.744    48.872  598.585    56.451  575.264    97.648  261.385 12.369  254.314 22.213  7.071167       25.42456 
1 1 1 -1  9  12 o 578.170  17.290  2938.59    174.550 2917.34    201.551 3002.35    349.113 575.392 20.061  577.436 34.788  -2.043945      40.15812 
1 1 1 -1  9  13 o 173.027  9.9263  262.827    29.864  267.514    34.310  248.178    60.657  174.424 11.327  166.403 21.370  8.021011       24.18652 
1 1 1 -1  9  14 o 525.656  15.660  2426.11    143.733 2333.57    165.921 2704.38    287.718 514.965 18.453  550.029 30.072  -35.06445      35.28240 
1 1 1 -1  9  15 o 180.908  9.7381  287.186    30.647  273.718    35.224  329.143    62.171  176.421 11.498  192.488 18.735  -16.06693      21.98210 
1 1 1 -1  9  16 o 207.242  11.752  377.383    42.351  377.383    42.351  0.0000     0.0000  207.242 11.752  ?       ?       0.000000       11.75202 
1 1 1 -1  9  17 o 306.825  13.279  825.351    71.139  825.351    71.139  0.0000     0.0000  306.825 13.279  ?       ?       0.000000       13.27863 
1 1 1 -1  9  18 o 445.322  16.635  1742.88    129.346 1858.74    158.496 1511.84    223.807 459.261 19.765  410.147 31.492  49.11389       37.18055 
1 1 1 -1  9  19 o 186.892  11.645  307.121    37.810  327.673    46.563  267.336    64.786  192.783 13.927  172.632 21.992  20.15031       26.03106 
1 1 1 -1  9  20 o 94.590   12.321  79.715     19.867  71.223     25.049  94.114     32.619  88.574  16.811  101.758 19.059  -13.18410      25.41357 
1 1 1 -1  9  21 o 220.591  10.558  426.007    40.667  434.802    57.731  417.343    57.296  222.049 14.978  217.493 15.183  4.555176       21.32703 
1 1 1 -1  9  22 o 478.646  15.115  2011.73    126.324 2052.69    178.679 1970.81    178.619 482.146 21.224  472.322 21.658  9.823914       30.32423 
1 1 1 -1  9  23 o 472.497  15.177  1960.65    125.213 1955.99    177.118 1965.30    177.036 470.525 21.558  471.659 21.497  -1.134338      30.44462 
1 1 1 -1  9  24 o 392.974  13.622  1354.77    93.466  1313.52    132.157 1396.06    132.206 385.438 19.703  398.002 19.024  -12.56342      27.38816 
1 1 1 -1  9  25 o 187.260  10.328  307.941    33.637  293.856    47.464  322.152    47.677  182.303 15.046  191.031 14.399  -8.728531      20.82576 
1 1 1 -1  9  26 o 133.546  10.204  157.050    23.614  139.453    33.151  175.175    33.645  125.035 15.518  140.607 13.885  -15.57159      20.82345 
1 1 1 -1  9  27 o 139.012  11.615  170.516    27.934  163.252    48.348  174.156    34.225  134.302 21.331  140.139 14.182  -5.837540      25.61491 
1 1 1 -1  9  28 o 421.848  14.075  1562.47    103.672 1551.89    146.729 1573.01    146.499 419.200 20.046  422.082 19.878  -2.882080      28.23103 
1 1 1 -1  9  29 o 292.466  11.503  749.684    58.743  746.219    83.179  753.131    82.973  290.744 16.452  292.114 16.333  -1.370331      23.18269 
1 1 1 -1  9  30 o 348.721  12.628  1066.83    76.891  1104.53    108.841 1029.28    108.639 354.022 17.608  341.145 18.305  12.87668       25.39889 
1 1 1 -1  9  31 o 444.065  17.026  1737.32    132.018 1642.91    228.825 1784.42    161.630 426.386 30.946  449.097 20.612  -22.71140      37.18219 
1 1 1 -1  9  32 o 234.341  15.904  485.573    64.688  460.054    92.290  510.219    90.697  226.316 23.707  238.900 21.990  -12.58492      32.33501 
1 1 1 -1  9  33 o 107.615  16.466  104.325    29.956  114.115    45.427  96.791     39.848  111.168 24.098  102.430 22.860  8.737991       33.21584 
1 1 1 -1  9  34 o 308.620  13.789  837.169    74.304  814.994    128.633 848.274    91.027  301.345 24.663  309.692 16.897  -8.346252      29.89629 
1 1 1 -1  9  35 o 379.596  15.470  1269.23    102.534 1236.23    177.528 1285.75    125.601 370.098 27.672  381.235 18.869  -11.13736      33.49273 
1 1 1 -1  9  36 o 184.086  11.089  298.345    35.476  261.726    49.308  337.647    51.082  171.424 16.685  195.217 15.103  -23.79314      22.50541 
1 1 1 -1  9  37 o 380.172  15.546  1274.47    103.199 979.877    178.150 1423.26    126.604 326.980 31.597  401.049 18.080  -74.06921      36.40402 
1 1 1 -1  9  38 o 234.057  13.288  483.518    54.084  477.657    92.999  486.513    66.482  230.015 23.485  234.133 16.365  -4.117142      28.62465 
1 1 1 -1  9  39 o 242.099  13.068  517.288    55.036  481.875    67.100  590.087    96.206  232.858 16.612  256.295 21.702  -23.43707      27.33018 
1 1 1 -1  9  40 o 335.161  14.650  991.364    85.733  985.165    104.834 1003.88    148.972 332.700 18.114  332.615 25.854  0.8499146E-01  31.56819 
1 1 1 -1  9  41 o 278.874  13.530  685.753    65.882  719.617    80.585  617.504    114.403 284.603 16.284  260.260 25.502  24.34216       30.25794 
1 1 1 -1  9  42 o 371.164  15.472  1219.84    100.272 1188.88    122.724 1282.01    173.916 364.507 19.352  374.471 26.775  -9.964233      33.03638 
1 1 1 -1  9  43 f 217.506  12.726  418.763    48.119  390.892    58.649  476.164    84.167  209.226 16.180  229.289 21.265  -20.06339      26.72047 
1 1 1 -1  9  44 f 80.672   15.230  59.575     20.667  66.514     24.816  43.869     37.335  84.909  17.325  71.899  24.660  13.00967       30.13780 
1 1 1 -1  9  45 o 41.811   16.570  8.6776     17.993  8.6776     17.993  0.0000     0.0000  41.811  16.570  ?       ?       0.000000       16.57011 
1 1 1 -1  9  46 o 45.599   15.704  16.964     15.148  11.142     18.011  31.036     28.001  43.328  16.751  61.272  21.337  -17.94402      27.12693 
1 1 1 -1  9  47 o 36.340   14.826  4.6351     14.860  3.3782     17.628  7.7216     27.624  38.304  15.938  48.690  20.080  -10.38674      25.63642 
1 1 1 -1  9  48 o 267.594  11.543  633.928    53.935  559.065    75.293  712.833    77.299  248.543 17.460  281.666 15.781  -33.12378      23.53498 
1 1 1 -1  9  49 o 88.279   13.705  71.038     20.441  52.381     26.083  100.732    32.906  74.466  19.741  103.880 18.836  -29.41357      27.28520 
1 1 1 -1  9  50 o 63.480   16.352  37.721     18.236  21.574     22.988  65.129     29.950  52.808  19.230  82.581  20.786  -29.77230      28.31671 
1 1 1 -1  9  51 f 185.782  13.358  310.303    43.042  263.653    70.872  337.566    54.179  165.103 25.398  192.496 16.272  -27.39268      30.16342 
1 1 1 -1  9  52 o 84.916   13.739  66.267     19.675  32.545     24.631  125.721    32.705  60.243  20.030  116.578 16.530  -56.33564      25.96988 
1 1 1 -1  9  53 o 109.629  12.609  109.026    23.697  105.162    30.879  114.561    36.961  105.952 17.288  109.485 20.074  -3.532715      26.49210 
1 1 1 -1  9  54 o 48.260   17.094  19.222     18.023  25.087     21.020  2.9430     35.019  53.716  18.499  50.792  21.853  2.923241       28.63210 
1 1 1 -1  9  55 o 99.189   13.075  90.214     22.094  78.235     29.848  104.732    32.859  89.745  19.597  104.633 18.670  -14.88792      27.06686 
1 1 1 -1  9  56 o 102.248  14.824  97.361     25.694  55.531     42.782  120.963    32.136  75.493  26.369  113.259 16.756  -37.76635      31.24228 
1 1 1 -1  9  57 o 64.906   21.289  40.487     27.861  0.0000     0.0000  40.487     27.861  ?       ?       64.906  21.289  0.000000       21.28924 
1 1 1 -1  9  58 o 152.031  17.291  219.641    45.083  0.0000     0.0000  219.641    45.083  ?       ?       152.031 17.291  0.000000       17.29068 
1 1 1 -1  9  59 o 38.793   17.222  -4.4024    23.294  0.0000     0.0000  -4.4024    23.294  ?       ?       38.793  17.222  0.000000       17.22152 
1 1 1 -1  9  60 o 139.605  13.440  180.891    32.357  107.543    54.167  221.586    40.347  96.727  29.438  153.349 15.271  -56.62112      33.16338 
1 1 1 -1  9  61 o 31.753   14.039  -2.9924    15.328  22.340     19.932  -39.6526   23.978  50.233  17.956  29.318  14.309  20.91482       22.96052 
1 1 1 -1  9  62 o 177.482  11.404  288.627    35.154  286.528    48.699  290.910    50.797  172.650 16.349  173.340 17.002  -0.6898193     23.58747 
1 1 1 -1  9  63 o 49.272   17.973  21.418     20.096  29.261     33.695  17.089     25.036  58.131  22.789  48.909  19.494  9.221413       29.98984 
1 1 1 -1  9  64 o 16.934   8.3932  -21.2974   9.3582  -23.0283   10.709  -15.7067   19.247  18.412  9.0990  30.569  14.327  -12.15698      16.97225 
1 1 1 -1  9  65 o 94.405   12.801  84.604     20.556  57.165     27.642  118.555    30.747  72.861  20.736  109.225 16.649  -36.36422      26.59227 
1 1 1 -1  10 1  o 84.153   13.919  63.779     19.737  0.0000     0.0000  63.779     19.737  ?       ?       84.153  13.919  0.000000       13.91885 
1 1 1 -1  10 2  o 659.844  27.908  3881.60    321.542 0.0000     0.0000  3881.60    321.542 ?       ?       659.844 27.908  0.000000       27.90832 
1 1 1 -1  10 3  o 197.562  14.646  344.588    50.163  0.0000     0.0000  344.588    50.163  ?       ?       197.562 14.646  0.000000       14.64600 
1 1 1 -1  10 4  o 148.168  13.575  194.217    34.730  0.0000     0.0000  194.217    34.730  ?       ?       148.168 13.575  0.000000       13.57510 
1 1 1 -1  10 5  o 471.552  21.124  1964.89    173.924 2175.49    246.106 1754.76    245.826 492.899 28.720  441.093 32.139  51.80637       43.10188 
1 1 1 -1  10 6  o 467.601  31.055  1967.00    252.112 1967.00    252.112 0.0000     0.0000  467.601 31.055  ?       ?       0.000000       31.05504 
1 1 1 -1  10 7  o 572.969  24.782  2914.35    247.930 2914.35    247.930 0.0000     0.0000  572.969 24.782  ?       ?       0.000000       24.78198 
1 1 1 -1  10 8  o 186.059  14.496  305.781    46.723  305.781    46.723  0.0000     0.0000  186.059 14.496  ?       ?       0.000000       14.49627 
1 1 1 -1  10 9  o 254.428  12.720  567.675    56.509  567.675    56.509  0.0000     0.0000  254.428 12.720  ?       ?       0.000000       12.72010 
1 1 1 -1  10 10 o 133.956  11.248  158.308    26.065  158.308    26.065  0.0000     0.0000  133.956 11.248  ?       ?       0.000000       11.24771 
1 1 1 -1  10 11 o 151.665  11.478  202.699    30.171  202.699    30.171  0.0000     0.0000  151.665 11.478  ?       ?       0.000000       11.47804 
1 1 1 -1  10 12 o 391.817  15.510  1349.39    106.114 1349.39    106.114 0.0000     0.0000  391.817 15.510  ?       ?       0.000000       15.51047 
1 1 1 -1  10 13 o 178.969  11.477  281.822    35.675  281.822    35.675  0.0000     0.0000  178.969 11.477  ?       ?       0.000000       11.47685 
1 1 1 -1  10 14 o 106.524  10.112  100.245    18.583  105.619    21.357  83.498     37.702  109.203 11.367  95.206  22.949  13.99724       25.60989 
1 1 1 -1  10 15 o 116.262  9.7186  119.152    19.548  104.699    22.503  163.602    39.464  108.619 12.069  135.273 17.089  -26.65343      20.92132 
1 1 1 -1  10 16 o 366.042  12.893  1175.49    82.407  1150.23    95.133  1251.43    164.932 361.766 15.061  374.251 25.390  -12.48483      29.52033 
1 1 1 -1  10 17 o 326.147  12.172  932.779    69.318  921.922    79.993  965.508    138.888 323.993 14.140  328.792 24.366  -4.798889      28.17164 
1 1 1 -1  10 18 o 196.138  10.078  337.775    34.396  351.106    39.668  297.376    69.052  199.823 11.417  181.916 22.200  17.90692       24.96313 
1 1 1 -1  10 19 f 143.981  10.080  182.433    25.181  168.176    28.959  226.633    50.988  137.951 12.146  159.206 18.698  -21.25430      22.29667 
1 1 1 -1  10 20 o 121.691  10.439  130.674    21.966  145.773    31.140  115.720    30.989  128.047 14.165  113.572 16.076  14.47478       21.42618 
1 1 1 -1  10 21 o 295.553  11.593  765.904    59.828  794.089    84.767  737.927    84.452  299.893 16.249  288.945 16.812  10.94781       23.38068 
1 1 1 -1  10 22 o 536.433  16.431  2534.52    153.899 2584.96    217.702 2484.14    217.590 539.430 23.113  528.622 23.574  10.80737       33.01458 
1 1 1 -1  10 23 o 230.813  10.896  466.966    43.912  493.140    62.339  441.188    61.865  236.274 15.191  223.287 15.973  12.98749       22.04362 
1 1 1 -1  10 24 o 133.585  10.840  157.443    25.067  134.775    35.058  181.152    35.854  122.539 16.829  142.796 14.585  -20.25726      22.26991 
1 1 1 -1  10 25 f 280.641  11.685  690.940    57.257  655.667    80.752  726.604    81.197  272.119 17.082  286.691 16.288  -14.57260      23.60265 
1 1 1 -1  10 26 o 114.476  13.760  116.826    26.953  90.110     45.912  130.875    33.295  98.619  26.213  120.813 16.191  -22.19410      30.81006 
1 1 1 -1  10 27 o 432.909  16.757  1653.62    126.665 1533.85    219.151 1713.69    155.217 410.801 30.776  439.646 20.220  -28.84525      36.82407 
1 1 1 -1  10 28 o 170.227  12.625  255.942    37.256  256.109    64.263  255.857    45.725  168.223 22.438  169.682 15.608  -1.459793      27.33257 
1 1 1 -1  10 29 o 269.863  16.541  645.256    77.567  563.554    109.158 728.589    110.242 249.605 25.400  285.170 22.318  -35.56519      33.81203 
1 1 1 -1  10 30 o 237.682  15.860  500.652    65.442  0.0000     0.0000  500.652    65.442  ?       ?       237.682 15.860  0.000000       15.85983 
1 1 1 -1  10 31 o 444.652  21.056  1760.41    163.480 1695.14    230.798 1826.14    231.596 430.560 30.905  447.660 29.799  -17.10013      42.93197 
1 1 1 -1  10 32 f ?        ?       -107.7478  6.0569  -104.2194  9.4098  -110.2439  7.9145  ?       ?       ?       ?       0.000000       ?        
1 1 1 -1  10 33 o 90.666   15.931  74.733     24.299  49.670     29.796  124.503    41.988  73.881  21.681  116.365 21.456  -42.48424      30.50267 
1 1 1 -1  10 34 o 177.821  12.558  279.709    38.741  276.499    47.313  286.240    67.486  176.184 15.539  177.483 22.267  -1.299561      27.15299 
1 1 1 -1  10 35 o 318.056  14.224  893.220    78.995  847.186    96.704  985.547    136.951 308.198 18.049  329.924 23.936  -21.72604      29.97835 
1 1 1 -1  10 36 f 84.456   15.370  65.045     21.830  66.676     26.520  61.617     38.449  84.954  18.410  82.028  24.766  2.925621       30.85868 
1 1 1 -1  10 37 o 89.841   14.327  73.105     21.719  61.986     26.096  98.166     39.178  81.767  18.686  102.487 22.509  -20.71962      29.25488 
1 1 1 -1  10 38 o 233.314  12.874  482.207    52.242  461.535    63.710  524.635    91.273  227.299 16.158  240.167 22.010  -12.86726      27.30445 
1 1 1 -1  10 39 o 266.534  16.678  635.717    77.229  659.018    108.514 611.800    109.937 268.291 23.398  257.740 24.732  10.55179       34.04665 
1 1 1 -1  10 40 o 145.921  22.204  197.326    54.788  197.326    54.788  0.0000     0.0000  145.921 22.204  ?       ?       0.000000       22.20369 
1 1 1 -1  10 41 f 269.482  16.623  652.189    77.833  652.189    77.833  0.0000     0.0000  269.482 16.623  ?       ?       0.000000       16.62259 
1 1 1 -1  10 42 o 69.497   15.950  44.882     18.945  46.059     22.682  42.167     34.453  70.192  18.314  69.594  23.691  0.5978622      29.94383 
1 1 1 -1  10 43 f 31.776   13.731  -1.3170    13.948  -2.3551    17.186  0.6862     23.873  34.825  15.145  42.522  18.162  -7.696472      23.64834 
1 1 1 -1  10 44 o 202.466  10.911  363.910    38.429  310.272    53.827  419.677    54.884  184.752 16.872  216.081 14.633  -31.32826      22.33346 
1 1 1 -1  10 45 o 197.176  10.895  345.588    37.366  312.843    52.011  380.518    53.717  185.561 16.215  205.290 15.092  -19.72873      22.15173 
1 1 1 -1  10 46 o 106.571  12.091  102.390    22.101  97.901     30.065  107.667    32.599  102.495 17.423  107.374 18.027  -4.879257      25.07038 
1 1 1 -1  10 47 o 37.604   14.755  7.9030     14.134  -5.9779    18.649  26.638     21.666  34.516  15.362  55.319  18.787  -20.80228      24.26798 
1 1 1 -1  10 48 o 89.353   12.957  72.994     19.625  56.837     26.301  93.292     29.479  76.844  19.554  99.578  17.598  -22.73402      26.30667 
1 1 1 -1  10 49 o 30.147   13.166  -2.0835    13.106  -20.3741   16.820  26.181     20.909  27.189  12.937  54.473  18.456  -27.28361      22.53893 
1 1 1 -1  10 50 o 32.314   13.579  1.9325     12.985  -8.1449    17.488  14.313     19.384  32.223  14.563  45.617  17.444  -13.39445      22.72408 
1 1 1 -1  10 51 o 48.726   15.459  21.656     14.767  21.500     19.753  21.854     22.235  50.465  17.893  51.812  18.905  -1.346748      26.03005 
1 1 1 -1  10 52 o 122.397  14.013  138.281    29.408  112.897    51.568  150.515    35.800  102.752 27.986  126.426 16.620  -23.67430      32.54873 
1 1 1 -1  10 53 o 31.688   14.431  -9.2146    17.573  -32.0549   32.277  0.4087     20.951  38.183  18.096  38.996  16.840  -0.8133354     24.71937 
1 1 1 -1  10 54 o 130.267  17.902  163.243    39.643  133.449    56.392  192.352    55.740  109.576 29.016  136.693 24.242  -27.11706      37.80945 
1 1 1 -1  10 55 o 51.939   20.029  20.675     25.696  0.0000     0.0000  20.675     25.696  ?       ?       51.939  20.029  0.000000       20.02871 
1 1 1 -1  10 56 o 50.366   18.347  21.837     20.928  -8.2508    30.817  47.592     28.511  42.936  19.375  68.329  21.455  -25.39337      28.90900 
1 1 1 -1  10 57 o 84.357   17.464  70.463     24.876  47.117     36.041  91.703     34.377  67.976  24.162  93.977  21.426  -26.00051      32.29380 
1 1 1 -1  10 58 o 107.330  16.131  111.751    29.296  66.379     44.784  145.691    38.733  77.008  26.975  120.595 19.025  -43.58717      33.00897 
1 1 1 -1  10 59 o 53.548   17.160  28.041     18.161  26.410     22.287  31.265     31.331  53.164  18.990  58.306  22.206  -5.141933      29.21839 
1 1 1 -1  10 60 o 58.401   17.116  34.386     18.581  24.673     22.932  52.952     31.704  51.982  19.164  69.796  22.701  -17.81369      29.70858 
1 1 1 -1  10 61 o 52.907   19.100  26.757     22.610  19.775     32.996  32.937     31.043  52.825  21.879  58.239  22.122  -5.414486      31.11378 
1 1 1 -1  10 62 o 49.917   19.058  22.127     23.112  25.723     35.409  19.457     30.507  55.579  22.805  51.313  21.124  4.266788       31.08549 
1 1 1 -1  11 1  o 290.247  13.275  740.109    67.278  788.979    82.500  643.090    116.242 298.866 15.866  267.283 25.205  31.58380       29.78300 
1 1 1 -1  11 2  o 331.998  14.395  969.418    83.445  941.102    102.180 1026.11    144.585 325.954 18.023  338.337 24.644  -12.38342      30.53126 
1 1 1 -1  11 3  o 463.303  17.368  1894.23    140.497 1982.99    172.105 1716.90    243.256 472.923 20.842  434.351 32.306  38.57211       38.44542 
1 1 1 -1  11 4  o 196.571  11.991  340.328    40.960  357.041    50.208  307.073    70.824  200.977 14.403  184.603 22.434  16.37407       26.65913 
1 1 1 -1  11 5  o 539.797  19.446  2578.54    183.285 2590.05    224.486 2555.52    317.431 539.179 23.845  528.779 34.571  10.39984       41.99669 
1 1 1 -1  11 6  o 208.924  12.163  384.393    44.179  383.985    53.930  385.223    77.030  208.361 14.922  207.249 21.604  1.111664       26.25662 
1 1 1 -1  11 7  o 247.290  12.835  538.504    55.231  516.039    67.528  583.901    95.993  241.461 16.109  255.554 21.718  -14.09291      27.04067 
1 1 1 -1  11 8  o 287.021  13.404  723.961    67.177  721.228    82.171  729.470    116.652 285.525 16.553  285.232 23.635  0.2923584      28.85540 
1 1 1 -1  11 9  o 380.338  18.778  1279.39    124.707 1220.35    175.948 1338.99    176.781 367.777 27.600  385.850 26.398  -18.07254      38.19211 
1 1 1 -1  11 10 o 612.978  21.439  3336.73    229.463 3336.73    229.463 0.0000     0.0000  612.978 21.439  ?       ?       0.000000       21.43900 
1 1 1 -1  11 11 o 99.221   12.898  87.915     21.818  87.915     21.818  0.0000     0.0000  99.221  12.898  ?       ?       0.000000       12.89849 
1 1 1 -1  11 12 o 154.963  12.356  212.189    33.154  212.189    33.154  0.0000     0.0000  154.963 12.356  ?       ?       0.000000       12.35582 
1 1 1 -1  11 13 o 498.245  22.559  2210.14    196.256 2210.14    196.256 0.0000     0.0000  498.245 22.559  ?       ?       0.000000       22.55888 
1 1 1 -1  11 14 o 206.166  12.433  374.675    44.549  385.739    54.679  352.832    76.830  208.730 15.105  197.831 22.650  10.89963       27.22482 
1 1 1 -1  11 15 o 263.877  13.439  613.867    61.714  588.002    75.794  664.747    106.304 257.500 16.952  272.292 22.562  -14.79147      28.22119 
1 1 1 -1  11 16 o 153.800  12.874  209.339    34.254  171.917    42.266  280.959    58.472  138.314 17.922  177.066 19.221  -38.75162      26.28065 
1 1 1 -1  11 17 o 122.460  13.053  133.319    27.481  136.231    33.820  127.661    47.145  123.241 16.101  117.539 23.788  5.702065       28.72525 
1 1 1 -1  11 18 o 107.155  13.654  102.634    24.966  103.908    30.711  100.152    42.870  107.172 16.977  103.819 24.111  3.353622       29.48827 
1 1 1 -1  11 19 o 75.659   16.078  52.422     20.586  45.429     25.192  66.477     35.714  70.522  19.700  84.912  23.357  -14.39019      30.55573 
1 1 1 -1  11 20 o 510.697  23.159  2331.99    206.511 2388.03    292.343 2276.17    291.759 509.719 33.025  496.986 33.823  12.73276       47.27176 
1 1 1 -1  11 21 o ?        ?       -334.5888  7.9935  -554.8116  12.391  -177.6317  10.461  ?       ?       ?       ?       0.000000       ?        
1 1 1 -1  11 22 o 486.995  22.629  2121.28    192.424 1988.74    272.364 2253.38    271.895 463.679 33.876  495.482 31.592  -31.80325      46.32082 
1 1 1 -1  11 23 o 234.524  15.221  487.663    61.992  889.068    89.910  123.915    85.588  316.632 16.318  115.771 37.267  200.8607       40.68346 
1 1 1 -1  11 24 o ?        ?       -131.5949  8.1714  -238.1513  14.450  -81.4968   9.9078  ?       ?       ?       ?       0.000000       ?        
1 1 1 -1  11 25 o 367.585  15.355  1194.56    98.553  1117.74    120.735 1347.94    170.606 353.664 19.629  385.519 25.488  -31.85510      32.17057 
1 1 1 -1  11 26 o 231.007  12.986  471.740    52.167  485.555    63.854  444.016    90.459  233.706 15.740  220.870 23.834  12.83653       28.56177 
1 1 1 -1  11 27 o 195.530  12.600  338.249    42.787  317.720    52.411  379.272    74.089  188.691 16.060  204.798 21.017  -16.10709      26.45076 
1 1 1 -1  11 28 o 206.517  12.684  377.421    45.515  376.254    55.658  379.776    79.080  205.484 15.630  204.261 22.549  1.223679       27.43594 
1 1 1 -1  11 29 f 478.697  17.915  2042.43    149.737 1926.11    183.287 2275.86    259.643 461.993 22.721  495.334 30.164  -33.34073      37.76414 
1 1 1 -1  11 30 o 191.172  12.435  323.804    41.284  306.595    50.323  359.226    72.197  185.189 15.711  198.780 21.125  -13.59158      26.32665 
1 1 1 -1  11 31 o 85.440   14.615  66.470     21.020  85.008     25.358  25.767     37.576  96.665  15.552  63.120  24.252  33.54477       28.80995 
1 1 1 -1  11 32 f 216.026  12.885  414.190    48.380  333.813    59.377  572.952    83.451  192.351 17.884  251.893 19.116  -59.54259      26.17767 
1 1 1 -1  11 33 o 370.066  15.069  1218.68    97.372  1234.92    119.316 1186.28    168.484 370.790 18.429  356.689 27.259  14.10162       32.90416 
1 1 1 -1  11 34 o 193.713  10.891  332.163    36.690  329.324    51.829  335.015    51.945  191.500 15.637  193.193 15.530  -1.693695      22.03845 
1 1 1 -1  11 35 o 158.357  12.235  223.412    33.567  203.849    41.359  261.170    57.459  150.136 16.024  168.686 19.891  -18.54947      25.54244 
1 1 1 -1  11 36 o 138.791  12.434  172.214    29.813  177.095    36.524  162.469    51.607  139.969 15.188  131.013 23.419  8.955872       27.91319 
1 1 1 -1  11 37 o 101.725  13.592  93.761     23.538  72.773     28.514  138.662    41.705  87.916  19.119  121.780 20.330  -33.86351      27.90816 
1 1 1 -1  11 38 o 267.508  16.584  648.082    77.082  561.578    108.733 735.471    109.288 242.640 26.074  280.923 22.468  -38.28377      34.41912 
1 1 1 -1  11 39 o 244.346  11.276  530.036    48.110  511.179    67.798  549.163    68.282  237.237 16.469  246.211 15.969  -8.973862      22.94007 
1 1 1 -1  11 40 f 212.100  11.036  400.589    40.730  337.841    57.215  465.057    57.994  192.010 17.250  226.890 14.718  -34.87953      22.67562 
1 1 1 -1  11 41 o 246.249  11.215  539.653    48.219  488.507    67.722  592.247    68.673  230.979 16.909  255.372 15.474  -24.39316      22.92089 
1 1 1 -1  11 42 o 114.545  11.357  118.068    22.415  99.501     30.573  139.651    32.962  102.891 17.653  123.114 15.690  -20.22348      23.61802 
1 1 1 -1  11 43 o 122.849  11.376  135.883    24.125  144.670    33.407  126.306    34.876  125.175 15.625  115.919 17.800  9.255486       23.68503 
1 1 1 -1  11 44 o 221.059  11.124  437.897    42.801  382.862    60.044  494.748    61.027  203.137 17.087  232.527 15.113  -29.38957      22.81166 
1 1 1 -1  11 45 o 73.036   14.395  50.088     17.704  41.902     24.000  59.860     26.223  65.919  19.491  78.351  19.295  -12.43158      27.42626 
1 1 1 -1  11 46 o 69.865   14.552  46.126     17.176  40.052     23.593  52.975     25.053  64.397  19.390  73.519  19.279  -9.121620      27.34341 
1 1 1 -1  11 47 o 51.568   15.915  24.852     15.764  22.487     21.324  27.703     23.409  51.561  18.558  55.731  19.503  -4.170090      26.92176 
1 1 1 -1  11 48 o 147.859  13.107  200.818    33.488  184.649    57.803  208.987    41.086  132.878 25.844  149.076 16.037  -16.19766      30.41529 
1 1 1 -1  11 49 o 173.837  12.889  277.504    38.845  254.032    65.915  289.993    48.081  156.374 24.982  175.554 15.857  -19.18004      29.58940 
1 1 1 -1  11 50 o 97.619   15.530  90.959     25.584  119.909    41.282  72.907     32.599  107.686 22.672  83.878  21.989  23.80816       31.58410 
1 1 1 -1  11 51 o 87.482   16.045  74.125     23.605  45.149     37.264  93.545     30.507  67.407  24.492  96.957  18.698  -29.55010      30.81355 
1 1 1 -1  11 52 o 131.950  13.888  163.577    31.517  143.557    51.488  175.573    39.856  113.575 26.456  134.150 17.427  -20.57499      31.67952 
1 1 1 -1  11 53 o 72.717   16.885  52.719     21.027  27.187     31.372  73.545     28.334  56.576  22.042  84.616  19.568  -28.03966      29.47488 
1 1 1 -1  11 54 o 36.779   15.488  4.2616     16.951  4.8985     25.037  3.7226     23.032  43.099  18.509  41.221  17.729  1.877975       25.62995 
1 1 1 -1  11 55 o 39.776   16.085  9.2375     17.310  24.195     25.930  -2.7866    23.248  52.649  20.166  38.560  17.157  14.08940       26.47676 
1 1 1 -1  11 56 o 134.422  13.384  171.663    30.995  150.646    50.142  184.660    39.432  114.165 25.765  136.295 16.934  -22.12981      30.83213 
1 1 1 -1  11 57 o 66.482   18.618  46.589     22.471  55.233     41.874  43.092     26.631  69.147  25.816  63.302  20.817  5.844936       33.16290 
1 1 1 -1  11 58 o 113.070  12.530  121.715    24.322  132.906    34.140  110.180    34.659  113.770 17.767  101.105 20.338  12.66527       27.00496 
1 1 1 -1  11 59 o 44.578   16.198  18.295     16.299  29.257     22.031  5.0418     24.225  53.467  18.903  41.492  18.013  11.97429       26.11116 
1 1 1 -1  12 1  o 465.787  16.841  1923.13    136.964 1628.54    167.442 2518.79    238.095 425.508 22.618  527.699 25.841  -102.1907      34.34109 
1 1 1 -1  12 2  o 434.443  15.544  1669.31    117.913 1308.66    143.917 2405.75    205.656 381.776 21.679  517.745 22.749  -135.9687      31.42431 
1 1 1 -1  12 3  o 384.400  15.240  1306.28    102.292 1151.14    124.951 1621.53    178.119 358.713 20.029  423.681 24.178  -64.96713      31.39636 
1 1 1 -1  12 4  o 399.702  13.000  1407.61    90.726  1056.09    127.683 1766.07    128.938 342.922 21.432  446.454 16.540  -103.5324      27.07213 
1 1 1 -1  12 5  f 280.796  11.056  692.966    54.206  493.321    75.680  903.286    77.677  234.801 18.612  319.971 13.903  -85.17009      23.23149 
1 1 1 -1  12 6  o 38.535   15.417  6.5012     15.717  -6.8972    17.691  56.707     34.245  33.498  14.931  78.740  23.282  -45.24147      27.65863 
1 1 1 -1  12 7  o 22.712   10.765  -13.8487   11.432  -13.8487   11.432  0.0000     0.0000  22.712  10.765  ?       ?       0.000000       10.76548 
1 1 1 -1  12 8  o 148.210  11.759  194.452    30.180  211.216    34.354  137.763    63.173  154.303 12.868  120.303 30.137  33.99945       32.76973 
1 1 1 -1  12 9  o 328.740  12.594  952.033    72.287  924.712    83.412  1034.46    144.878 323.445 14.770  337.561 24.753  -14.11581      28.82436 
1 1 1 -1  12 10 o 352.570  12.601  1095.21    77.576  1062.50    89.583  1193.30    155.122 346.667 14.800  362.635 24.645  -15.96817      28.74715 
1 1 1 -1  12 11 o 275.983  11.690  670.316    56.333  652.773    64.899  723.927    113.451 271.602 13.729  282.659 23.192  -11.05630      26.95078 
1 1 1 -1  12 12 o 129.935  13.038  150.340    29.180  137.303    35.924  175.623    50.027  123.204 17.166  138.466 21.380  -15.26165      27.41864 
1 1 1 -1  12 13 o 392.171  15.999  1363.79    109.557 1216.12    134.162 1659.33    189.806 367.746 20.981  426.806 25.587  -59.06067      33.08947 
1 1 1 -1  12 14 o 246.672  13.681  539.048    58.695  486.863    71.867  643.583    101.716 233.209 17.783  266.647 22.045  -33.43854      28.32326 
1 1 1 -1  12 15 o 254.603  13.346  573.919    59.122  521.430    72.135  681.337    103.193 241.520 17.218  274.452 21.711  -32.93193      27.70966 
1 1 1 -1  12 16 o 72.172   18.887  48.238     24.076  48.238     24.076  0.0000     0.0000  72.172  18.887  ?       ?       0.000000       18.88657 
1 1 1 -1  12 17 o 161.715  15.464  234.036    43.134  234.036    43.134  0.0000     0.0000  161.715 15.464  ?       ?       0.000000       15.46441 
1 1 1 -1  12 18 o 277.915  13.657  683.145    66.270  683.145    66.270  0.0000     0.0000  277.915 13.657  ?       ?       0.000000       13.65656 
1 1 1 -1  12 19 o 254.835  11.167  572.108    49.688  566.868    57.309  587.970    99.714  252.935 13.021  253.880 22.735  -0.9448700     26.19931 
1 1 1 -1  12 20 o 162.828  10.475  234.336    29.625  239.051    34.012  219.517    60.300  164.166 11.948  153.976 23.144  10.19014       26.04631 
1 1 1 -1  12 21 o 152.044  10.412  204.483    27.475  201.943    31.610  212.333    55.568  150.747 12.111  151.844 21.564  -1.097534      24.73267 
1 1 1 -1  12 22 o 217.762  10.602  417.857    40.314  427.758    46.456  387.666    81.124  219.685 12.158  205.139 23.047  14.54547       26.05766 
1 1 1 -1  12 23 o 118.126  11.127  124.186    22.679  110.090    26.022  168.729    46.258  110.574 13.777  135.318 20.196  -24.74357      24.44745 
1 1 1 -1  12 24 o 314.553  12.286  875.743    67.479  838.721    77.861  987.462    135.254 307.002 14.525  327.181 23.840  -20.17880      27.91597 
1 1 1 -1  12 25 o 163.276  12.314  237.428    34.849  248.686    42.815  215.329    59.986  166.380 14.895  151.601 23.416  14.77843       27.75172 
1 1 1 -1  12 26 o 257.210  11.382  585.192    51.117  580.771    72.326  589.605    72.256  253.983 16.397  255.982 16.250  -1.999619      23.08499 
1 1 1 -1  12 27 o 91.908   12.028  76.103     18.839  65.003     26.914  86.764     26.378  83.137  18.961  97.158  16.113  -14.02086      24.88277 
1 1 1 -1  12 28 o 140.492  10.961  175.689    26.676  155.919    38.027  194.846    37.433  130.487 17.102  146.887 14.796  -16.39977      22.61441 
1 1 1 -1  12 29 o 38.518   14.854  8.9895     14.135  -10.5561   17.672  43.705     23.552  31.730  14.458  68.232  19.043  -36.50262      23.90961 
1 1 1 -1  12 30 o 161.463  12.368  233.339    34.603  207.003    40.955  299.037    64.686  150.850 15.783  179.014 21.100  -28.16460      26.34962 
1 1 1 -1  12 31 o 125.598  13.133  142.371    28.375  136.406    33.662  157.011    52.739  121.879 16.221  127.219 24.632  -5.339851      29.49305 
1 1 1 -1  12 32 o 56.712   16.960  29.698     18.095  21.205     20.264  63.116     40.196  51.050  18.121  80.983  25.483  -29.93287      31.26868 
1 1 1 -1  12 33 o 208.826  15.827  397.350    57.279  373.145    79.144  423.972    83.001  197.570 23.397  211.101 22.885  -13.53110      32.72782 
1 1 1 -1  12 34 o 120.944  11.547  131.593    24.088  135.619    33.531  127.300    34.628  121.101 16.269  116.758 17.527  4.342911       23.91346 
1 1 1 -1  12 35 o 229.804  11.121  471.028    44.623  407.760    63.263  533.669    62.950  210.012 17.409  242.135 14.963  -32.12250      22.95558 
1 1 1 -1  12 36 o 79.494   13.935  58.653     18.637  38.758     26.485  78.170     26.232  64.323  20.734  90.879  17.160  -26.55562      26.91380 
1 1 1 -1  12 37 o 90.369   12.838  74.938     19.688  67.585     27.708  82.435     27.979  83.419  19.391  92.936  17.891  -9.517303      26.38384 
1 1 1 -1  12 38 f 149.660  10.978  201.544    28.488  168.099    40.000  235.969    40.582  133.522 17.585  160.197 14.671  -26.67496      22.90146 
1 1 1 -1  12 39 o 71.311   14.775  48.112     17.792  62.353     24.631  32.575     25.727  80.206  18.027  59.690  20.471  20.51612       27.27682 
1 1 1 -1  12 40 o 115.059  11.524  120.369    22.841  93.693     31.868  148.547    32.754  97.901  19.329  126.213 15.166  -28.31217      24.56866 
1 1 1 -1  12 41 o 132.459  11.279  159.256    25.838  145.291    35.856  174.340    37.265  123.515 17.083  136.129 15.982  -12.61399      23.39325 
1 1 1 -1  12 42 o 169.071  10.934  258.794    32.106  226.704    45.082  291.822    45.736  154.361 17.009  176.913 14.946  -22.55182      22.64223 
1 1 1 -1  12 43 o 188.501  13.076  327.215    42.772  370.526    76.156  307.257    51.696  190.425 23.396  179.782 16.658  10.64333       28.72052 
1 1 1 -1  12 44 o 162.883  13.364  246.015    37.674  220.089    67.424  257.784    45.427  140.654 28.431  164.724 15.996  -24.06947      32.62207 
1 1 1 -1  12 45 f 119.884  14.040  135.203    28.833  111.900    48.748  147.742    35.758  99.439  27.262  123.379 17.054  -23.94034      32.15704 
1 1 1 -1  12 46 f 103.880  14.386  102.613    25.393  84.693     42.493  112.568    31.670  86.723  26.002  106.843 17.588  -20.12012      31.39216 
1 1 1 -1  12 47 o 112.248  17.836  125.134    33.788  134.919    45.528  113.137    50.412  111.318 24.120  97.887  28.051  13.43155       36.99557 
1 1 1 -1  12 48 o 43.211   17.430  11.624     20.270  6.9940     25.680  19.276     33.012  44.341  18.886  53.230  21.951  -8.889370      28.95716 
1 1 1 -1  12 49 o 56.485   17.504  32.091     19.047  43.139     29.885  24.534     24.717  64.004  22.057  52.387  19.778  11.61714       29.62539 
1 1 1 -1  12 50 o 44.988   16.697  17.391     17.465  17.666     26.438  17.179     23.265  49.182  19.882  47.502  18.837  1.679638       27.38821 
1 1 1 -1  12 51 o 78.437   16.539  62.342     21.939  49.762     34.800  70.639     28.262  66.743  23.741  81.102  20.067  -14.35858      31.08555 
1 1 1 -1  12 52 o 59.967   17.511  37.458     19.479  13.835     30.289  54.120     25.438  48.624  20.602  70.612  19.821  -21.98832      28.58879 
1 1 1 -1  12 53 o 36.755   15.139  7.1299     15.677  24.917     21.912  -11.5250   22.439  50.754  18.729  34.242  15.853  16.51179       24.53699 
1 1 1 -1  12 54 o 49.491   17.055  24.578     17.868  17.477     21.316  41.360     32.768  45.814  18.074  60.780  22.808  -14.96577      29.10120 
1 1 1 -1  13 1  o 101.263  11.223  91.708     19.511  114.525    26.568  65.001     28.744  112.684 13.791  83.054  20.049  29.62960       24.33435 
1 1 1 -1  13 2  o 243.244  10.916  522.676    46.361  459.714    65.099  587.470    66.039  225.826 16.626  256.218 14.825  -30.39192      22.27592 
1 1 1 -1  13 3  o 122.884  12.624  135.266    26.702  149.754    43.984  126.810    33.603  126.908 20.552  117.786 16.816  9.121651       26.55489 
1 1 1 -1  13 4  o 126.051  11.905  141.883    25.891  95.892     42.822  168.383    32.505  99.909  24.689  136.926 13.783  -37.01704      28.27627 
1 1 1 -1  13 5  o 173.888  14.913  271.762    44.842  253.916    61.779  291.634    65.191  165.330 21.943  177.570 21.461  -12.23917      30.69307 
1 1 1 -1  13 6  o 92.095   16.321  78.143     25.284  87.010     34.127  67.355     37.644  95.989  20.950  84.206  24.272  11.78204       32.06322 
1 1 1 -1  13 7  o 168.566  14.802  255.505    43.124  243.703    60.128  268.007    61.884  161.890 21.828  170.121 21.300  -8.230820      30.49832 
1 1 1 -1  13 8  o 117.397  15.446  125.283    30.894  128.130    41.804  121.857    45.858  116.810 21.280  112.886 24.004  3.924538       32.07901 
1 1 1 -1  13 9  o 150.412  15.129  204.238    39.195  209.777    53.751  197.948    57.277  150.227 21.071  144.844 23.449  5.383682       31.52528 
1 1 1 -1  13 10 o 304.893  13.875  828.649    73.865  790.957    90.097  905.919    128.999 295.601 17.534  311.815 23.875  -16.21399      29.62185 
1 1 1 -1  13 11 o 168.741  11.900  253.704    34.837  233.135    41.942  299.468    62.561  160.719 15.124  180.163 20.237  -19.44417      25.26421 
1 1 1 -1  13 12 o 147.523  12.098  194.401    30.889  183.407    37.346  218.212    54.961  142.309 15.268  153.028 21.133  -10.71840      26.07176 
1 1 1 -1  13 13 o 44.724   14.479  17.430     12.905  14.135     14.797  27.900     26.376  42.952  15.459  58.350  20.678  -15.39833      25.81749 
1 1 1 -1  13 14 o 323.758  14.373  937.873    81.250  895.909    99.268  1023.04    141.423 313.681 18.202  329.650 24.751  -15.96838      30.72325 
1 1 1 -1  13 15 o 254.873  15.979  587.111    70.751  496.231    99.157  681.366    100.981 228.485 25.278  270.998 21.518  -42.51299      33.19621 
1 1 1 -1  13 16 o 158.812  10.613  224.311    29.261  215.743    33.669  250.756    59.148  155.174 12.534  163.725 21.187  -8.551178      24.61676 
1 1 1 -1  13 17 o 185.924  10.582  307.198    34.210  294.027    39.371  347.788    69.117  181.245 12.518  193.214 20.816  -11.96854      24.28964 
1 1 1 -1  13 18 o 125.390  11.740  141.003    25.405  149.042    31.101  124.886    44.038  128.207 14.128  113.860 22.944  14.34608       26.94469 
1 1 1 -1  13 19 o 125.782  12.501  142.480    27.091  146.331    33.164  134.758    46.968  126.542 15.322  117.928 23.633  8.614166       28.16517 
1 1 1 -1  13 20 f 80.247   14.896  59.745     20.103  65.460     24.342  47.486     35.652  83.373  17.289  71.854  24.101  11.51895       29.66084 
1 1 1 -1  13 21 o 116.913  12.898  123.738    25.892  118.552    31.364  134.833    45.878  113.216 16.339  117.890 23.114  -4.674263      28.30567 
1 1 1 -1  13 22 o 141.116  12.432  179.422    30.320  179.422    30.320  0.0000     0.0000  141.116 12.432  ?       ?       0.000000       12.43224 
1 1 1 -1  13 23 o 88.340   14.236  72.013     21.213  72.013     21.213  0.0000     0.0000  88.340  14.236  ?       ?       0.000000       14.23602 
1 1 1 -1  13 24 o 56.613   15.471  30.101     15.728  30.101     15.728  0.0000     0.0000  56.613  15.471  ?       ?       0.000000       15.47060 
1 1 1 -1  13 25 o 134.883  13.158  165.240    30.595  165.240    30.595  0.0000     0.0000  134.883 13.158  ?       ?       0.000000       13.15810 
1 1 1 -1  13 26 o 132.140  12.329  158.106    28.119  158.106    28.119  0.0000     0.0000  132.140 12.329  ?       ?       0.000000       12.32948 
1 1 1 -1  13 27 o 105.179  13.113  101.274    23.559  101.274    23.559  0.0000     0.0000  105.179 13.113  ?       ?       0.000000       13.11311 
1 1 1 -1  13 28 o 91.985   15.085  79.115     23.389  92.551     28.950  53.863     39.689  98.642  17.446  74.517  25.427  24.12521       30.83704 
1 1 1 -1  13 29 o 118.726  11.629  127.842    23.798  107.875    34.301  146.376    33.046  105.585 19.317  125.436 15.413  -19.85085      24.71245 
1 1 1 -1  13 30 f 67.596   15.301  43.572     17.638  46.990     25.801  40.574     24.168  69.175  20.140  64.706  19.657  4.469040       28.14243 
1 1 1 -1  13 31 o 83.511   13.513  65.001     19.031  65.795     27.173  64.238     26.661  81.670  19.352  80.747  19.192  0.9228516      27.25473 
1 1 1 -1  13 32 o 171.728  10.828  266.246    32.301  227.428    45.797  304.671    45.565  154.810 17.235  181.435 14.504  -26.62457      22.52599 
1 1 1 -1  13 33 o 40.383   15.229  11.894     14.645  18.292     19.013  2.5599     22.964  47.478  17.457  41.463  17.764  6.015003       24.90648 
1 1 1 -1  13 34 o 84.502   13.798  67.167     19.656  62.056     25.915  74.090     30.161  78.866  19.036  85.598  20.458  -6.731842      27.94504 
1 1 1 -1  13 35 o 177.946  10.952  287.530    33.862  236.068    46.812  344.010    49.041  156.649 17.409  191.766 14.760  -35.11697      22.82388 
1 1 1 -1  13 36 o 46.813   15.448  20.161     14.661  11.725     17.894  37.385     25.570  42.228  16.591  61.592  20.405  -19.36375      26.29858 
1 1 1 -1  13 37 o 213.633  10.897  415.493    40.514  324.880    55.597  518.086    59.159  182.890 17.628  234.995 14.488  -52.10570      22.81832 
1 1 1 -1  13 38 o 63.148   20.933  40.379     26.911  0.0000     0.0000  40.379     26.911  ?       ?       63.148  20.933  0.000000       20.93349 
1 1 1 -1  13 39 o 175.923  16.480  299.744    50.031  0.0000     0.0000  299.744    50.031  ?       ?       175.923 16.480  0.000000       16.47958 
1 1 1 -1  13 40 o 44.268   18.265  10.573     22.872  0.0000     0.0000  10.573     22.872  ?       ?       44.268  18.265  0.000000       18.26541 
1 1 1 -1  13 41 o 65.013   20.536  44.456     26.084  0.0000     0.0000  44.456     26.084  ?       ?       65.013  20.536  0.000000       20.53619 
1 1 1 -1  13 42 o 62.294   17.389  39.706     19.636  55.926     30.373  28.058     25.738  71.407  22.100  54.525  20.263  16.88152       29.98305 
1 1 1 -1  13 43 o 46.874   16.868  20.088     17.616  48.862     26.670  -2.1803    23.462  67.276  20.690  38.692  17.224  28.58382       26.92136 
1 1 1 -1  13 44 o 47.133   17.913  19.211     20.361  45.089     26.456  -18.3803   31.887  64.509  20.715  39.503  18.491  25.00641       27.76745 
1 1 1 -1  13 45 o 37.345   15.505  6.7045     16.629  39.798     25.967  -16.3030   21.652  60.818  20.568  32.231  15.135  28.58694       25.53635 
1 1 1 -1  13 46 o 89.737   16.290  81.886     24.585  68.206     42.841  88.603     30.020  73.509  26.320  90.701  19.533  -17.19234      32.77627 
1 1 1 -1  13 47 o 34.519   15.038  1.2635     17.005  15.177     29.993  -5.3281    20.644  48.355  20.496  34.754  15.754  13.60109       25.85110 
1 1 1 -1  13 48 o 70.472   17.471  53.039     21.390  40.388     35.508  60.245     26.798  59.963  23.426  72.923  20.300  -12.96031      30.99757 
1 1 1 -1  13 49 o 32.430   14.053  1.6248     14.689  -10.2380   17.129  34.598     28.558  29.594  13.753  56.201  21.249  -26.60701      25.31122 
1 1 1 -1  14 1  o 137.478  10.811  169.808    25.741  163.189    29.705  189.763    51.576  133.977 12.856  139.740 21.854  -5.762375      25.35496 
1 1 1 -1  14 2  o 206.772  10.275  381.128    37.096  295.741    51.515  473.097    53.464  178.488 16.725  228.336 13.470  -49.84802      21.47421 
1 1 1 -1  14 3  f 292.772  11.658  768.695    59.595  665.108    83.679  875.313    84.894  266.940 18.059  308.669 15.805  -41.72882      23.99841 
1 1 1 -1  14 4  o 91.192   13.018  76.414     20.140  72.780     23.900  85.315     37.405  87.824  16.182  92.275  23.231  -4.450783      28.31159 
1 1 1 -1  14 5  o 156.378  10.609  219.294    28.795  211.720    33.206  242.260    57.824  152.838 12.554  158.316 21.472  -5.477539      24.87252 
1 1 1 -1  14 6  o 156.048  10.643  218.457    28.827  210.426    33.275  242.618    57.716  152.312 12.626  158.411 21.415  -6.098862      24.86002 
1 1 1 -1  14 7  o 123.900  10.862  138.261    23.263  137.048    26.902  141.857    46.315  122.652 12.748  119.607 23.013  3.045265       26.30764 
1 1 1 -1  14 8  o 90.462   11.747  74.618     18.116  72.695     20.943  80.333     36.107  88.496  14.021  89.448  22.992  -0.9518356     26.93008 
1 1 1 -1  14 9  o 157.402  10.863  222.700    29.673  205.520    34.354  273.169    58.881  150.136 13.240  168.673 20.408  -18.53766      24.32653 
1 1 1 -1  14 10 o 153.329  10.766  211.349    28.640  205.262    33.111  229.433    57.069  150.232 12.743  153.251 21.954  -3.019089      25.38455 
1 1 1 -1  14 11 o 55.799   14.678  29.492     14.493  40.279     16.634  -4.4975    29.527  65.135  14.943  44.077  19.487  21.05898       24.55659 
1 1 1 -1  14 12 o 37.571   13.669  10.839     11.612  8.8245     12.756  20.585     28.061  36.813  14.134  53.782  20.877  -16.96921      25.21084 
1 1 1 -1  14 13 o 37.018   13.793  9.9240     11.942  24.305     13.467  -42.9886   25.833  50.845  14.475  30.658  14.939  20.18732       20.80074 
1 1 1 -1  14 14 o 93.080   11.554  79.078     18.374  77.490     21.014  84.233     37.862  91.390  13.582  90.761  23.652  0.6287384      27.27437 
1 1 1 -1  14 15 o 13.887   6.9428  -18.9885   6.9961  -18.9885   6.9961  0.0000     0.0000  13.887  6.9428  ?       ?       0.000000       6.942807 
1 1 1 -1  14 16 o 129.998  12.858  154.867    28.803  154.867    28.803  0.0000     0.0000  129.998 12.858  ?       ?       0.000000       12.85792 
1 1 1 -1  14 17 o 142.252  12.757  185.262    31.349  185.262    31.349  0.0000     0.0000  142.252 12.757  ?       ?       0.000000       12.75691 
1 1 1 -1  14 18 o 78.071   15.185  58.047     19.955  58.047     19.955  0.0000     0.0000  78.071  15.185  ?       ?       0.000000       15.18509 
1 1 1 -1  14 19 o 141.705  12.289  183.664    30.105  183.664    30.105  0.0000     0.0000  141.705 12.289  ?       ?       0.000000       12.28897 
1 1 1 -1  14 20 o 109.344  14.415  111.970    26.851  111.970    26.851  0.0000     0.0000  109.344 14.415  ?       ?       0.000000       14.41506 
1 1 1 -1  14 21 o 108.061  13.104  108.310    24.220  105.177    28.890  115.718    44.425  104.846 16.311  104.583 24.719  0.2626801      29.61556 
1 1 1 -1  14 22 o 45.759   15.210  18.977     14.204  17.982     16.269  22.169     29.138  45.781  16.238  54.183  21.206  -8.402435      26.70881 
1 1 1 -1  14 23 f 104.049  12.897  100.652    22.928  91.164     27.352  123.079    42.052  96.997  16.756  108.834 22.856  -11.83652      28.33993 
1 1 1 -1  14 24 o 33.255   14.133  1.8117     14.324  -1.3032    17.099  9.1428     26.232  34.376  15.025  46.281  19.366  -11.90499      24.51084 
1 1 1 -1  14 25 o 105.572  15.649  106.947    27.973  84.797     36.956  136.662    42.805  89.016  23.450  114.832 22.151  -25.81612      32.25786 
1 1 1 -1  14 26 o 98.291   16.850  94.506     27.878  97.118     36.913  91.039     42.534  95.876  22.446  90.342  25.726  5.534538       34.14109 
1 1 1 -1  14 27 o 82.046   18.516  68.093     25.895  51.045     35.071  88.529     38.398  69.544  23.898  90.013  23.994  -20.46949      33.86528 
1 1 1 -1  14 28 f 107.074  24.395  125.641    44.591  125.641    44.591  0.0000     0.0000  107.074 24.395  ?       ?       0.000000       24.39507 
1 1 1 -1  14 29 o 94.659   16.013  87.743     25.523  87.743     25.523  0.0000     0.0000  94.659  16.013  ?       ?       0.000000       16.01292 
1 1 1 -1  14 30 o 99.260   24.418  110.209    42.029  110.209    42.029  0.0000     0.0000  99.260  24.418  ?       ?       0.000000       24.41781 
1 1 1 -1  14 31 f 52.093   18.486  25.760     21.088  14.426     26.734  44.430     34.311  48.006  19.770  64.866  23.512  -16.86066      30.71940 
1 1 1 -1  14 32 o 100.248  18.312  102.657    30.872  0.0000     0.0000  102.657    30.872  ?       ?       100.248 18.312  0.000000       18.31163 
1 1 1 -1  14 33 f 50.799   19.080  23.410     22.942  0.0000     0.0000  23.410     22.942  ?       ?       50.799  19.080  0.000000       19.08036 
1 1 1 -1  14 34 o 112.329  17.790  128.611    33.731  0.0000     0.0000  128.611    33.731  ?       ?       112.329 17.790  0.000000       17.79028 
1 1 1 -1  14 35 o 37.462   16.373  1.1873     20.301  0.0000     0.0000  1.1873     20.301  ?       ?       37.462  16.373  0.000000       16.37257 
1 1 1 -1  14 36 o 77.119   20.011  64.936     27.178  0.0000     0.0000  64.936     27.178  ?       ?       77.119  20.011  0.000000       20.01060 
1 1 1 -1  14 37 o 107.501  14.744  114.140    26.946  73.170     41.781  143.315    35.258  76.048  26.087  117.810 17.686  -41.76200      31.51739 
1 1 1 -1  14 38 o 49.555   15.889  24.819     15.570  31.410     19.291  12.503     26.370  54.766  17.700  45.682  19.282  9.084339       26.17411 
1 1 1 -1  14 39 o 44.833   15.544  19.455     14.854  1.2602     18.072  57.332     26.075  35.300  15.437  71.412  20.075  -36.11206      25.32454 
1 1 1 -1  14 40 o 128.904  11.925  158.925    26.537  135.495    35.842  187.350    39.477  111.952 19.016  134.026 17.271  -22.07369      25.68855 
1 1 1 -1  14 41 f 82.292   15.027  69.118     20.796  71.894     27.370  65.327     31.986  79.798  19.750  72.962  22.695  6.836479       30.08543 
1 1 1 -1  14 42 o 64.471   17.232  45.272     19.770  24.505     26.954  69.456     29.086  50.296  20.165  76.556  21.087  -26.26022      29.17739 
1 1 1 -1  14 43 o 74.878   16.131  59.573     20.467  40.477     28.801  79.057     29.091  58.315  21.480  82.261  20.363  -23.94518      29.59769 
1 1 1 -1  15 1  o 38.846   14.472  11.804     13.145  11.804     13.145  0.0000     0.0000  38.846  14.472  ?       ?       0.000000       14.47161 
1 1 1 -1  15 2  o 54.567   17.951  29.090     19.803  40.107     25.781  13.235     30.928  62.609  20.477  50.012  20.984  12.59662       29.31917 
1 1 1 -1  15 3  o 134.029  12.357  167.208    28.592  140.620    47.562  182.252    35.778  112.869 24.810  137.935 15.102  -25.06589      29.04506 
1 1 1 -1  15 4  o 214.812  13.298  431.763    49.633  384.060    61.155  523.818    84.955  197.260 17.952  224.355 21.968  -27.09494      28.37047 
1 1 1 -1  15 5  o 118.977  12.786  132.648    26.146  110.930    32.321  173.764    44.472  105.112 18.274  130.271 20.206  -25.15963      27.24368 
1 1 1 -1  15 6  o 74.990   17.667  56.907     22.753  56.907     22.753  0.0000     0.0000  74.990  17.667  ?       ?       0.000000       17.66736 
1 1 1 -1  15 7  f 74.103   19.474  57.073     25.526  57.073     25.526  0.0000     0.0000  74.103  19.474  ?       ?       0.000000       19.47375 
1 1 1 -1  15 8  o 96.719   18.692  95.077     30.425  95.077     30.425  0.0000     0.0000  96.719  18.692  ?       ?       0.000000       18.69210 
1 1 1 -1  15 9  o 41.444   14.862  14.742     13.665  14.742     13.665  0.0000     0.0000  41.444  14.862  ?       ?       0.000000       14.86244 
1 1 1 -1  15 10 o 74.486   15.406  54.651     19.375  54.651     19.375  0.0000     0.0000  74.486  15.406  ?       ?       0.000000       15.40561 
1 1 1 -1  15 11 o 91.079   14.345  79.993     22.059  79.993     22.059  0.0000     0.0000  91.079  14.345  ?       ?       0.000000       14.34521 
1 1 1 -1  15 12 o 93.700   14.157  84.481     22.439  84.481     22.439  0.0000     0.0000  93.700  14.157  ?       ?       0.000000       14.15685 
1 1 1 -1  15 13 o 91.696   12.241  79.213     19.109  86.421     21.985  56.943     38.642  95.033  13.640  71.164  25.048  23.86916       28.52150 
1 1 1 -1  15 14 o 53.145   14.928  27.932     14.423  29.526     16.075  21.347     32.671  54.412  15.912  53.495  21.923  0.9166565      27.08889 
1 1 1 -1  15 15 o 94.161   12.234  83.651     19.639  83.086     22.587  85.400     39.757  92.536  14.452  85.657  25.018  6.878479       28.89175 
1 1 1 -1  15 16 o 52.464   14.702  27.253     14.008  23.388     15.743  41.945     30.696  49.034  16.000  62.875  22.304  -13.84097      27.44903 
1 1 1 -1  15 17 o 174.993  10.718  282.555    32.592  263.797    37.560  339.740    65.579  166.992 12.983  178.513 21.470  -11.52097      25.09039 
1 1 1 -1  15 18 o 109.401  13.095  114.211    24.517  101.588    29.130  144.870    45.397  100.093 17.293  113.489 23.675  -13.39637      29.31830 
1 1 1 -1  15 19 o 81.568   13.281  64.267     18.264  61.257     20.817  74.337     38.070  78.098  15.808  79.146  24.783  -1.048508      29.39502 
1 1 1 -1  15 20 o 121.425  13.886  142.405    28.911  142.405    28.911  0.0000     0.0000  121.425 13.886  ?       ?       0.000000       13.88566 
1 1 1 -1  15 21 o 76.607   16.488  59.965     21.402  59.965     21.402  0.0000     0.0000  76.607  16.488  ?       ?       0.000000       16.48832 
1 1 1 -1  15 22 o 46.595   15.546  21.139     14.833  25.026     16.863  7.8449     31.183  50.065  16.570  46.584  20.327  3.481609       26.22495 
1 1 1 -1  15 23 o 55.546   15.381  31.425     15.428  22.485     17.460  63.284     32.959  48.093  16.843  73.434  23.070  -25.34175      28.56378 
1 1 1 -1  15 24 o 161.697  11.083  244.758    31.103  227.085    35.702  300.406    63.352  153.304 13.474  162.968 22.895  -9.664581      26.56591 
1 1 1 -1  15 25 o 68.060   16.352  48.108     19.189  34.145     22.300  87.953     37.670  56.593  19.061  85.066  24.205  -28.47269      30.80935 
1 1 1 -1  15 26 o 138.369  13.401  185.969    31.973  194.427    38.919  168.412    56.073  138.100 16.465  112.776 28.471  25.32365       32.88937 
1 1 1 -1  15 27 o 55.195   17.457  32.295     18.844  50.320     22.658  -8.1485    33.939  67.809  18.585  42.388  19.579  25.42065       26.99460 
1 1 1 -1  15 28 o 34.212   14.182  5.8027     13.882  -3.6086    15.910  35.834     28.420  31.092  13.986  57.083  21.277  -25.99090      25.46177 
1 1 1 -1  15 29 f 94.521   20.986  102.193    33.733  90.368     51.631  111.001    44.558  77.811  28.742  91.286  26.435  -13.47427      39.04993 
1 1 1 -1  15 30 o 50.426   19.767  25.070     25.348  11.744     40.885  33.390     32.307  50.007  22.464  55.605  22.151  -5.598473      31.54819 
1 1 1 -1  15 31 o 45.461   19.012  15.470     25.262  -10.9433   44.612  27.937     30.650  45.711  21.545  52.598  21.357  -6.886974      30.33661 
1 1 1 -1  15 32 f 66.938   22.252  55.987     30.401  8.7552     49.946  83.784     38.317  51.142  23.667  78.894  24.887  -27.75213      34.34391 
1 1 1 -1  15 33 o 73.625   20.980  65.623     28.279  65.623     28.279  0.0000     0.0000  73.625  20.980  ?       ?       0.000000       20.98006 
1 1 1 -1  15 34 o 83.823   22.030  87.427     32.666  87.427     32.666  0.0000     0.0000  83.823  22.030  ?       ?       0.000000       22.03017 
1 1 1 -1  15 35 o 74.344   18.141  62.895     23.341  48.816     29.117  88.211     39.044  61.779  21.743  78.666  25.155  -16.88735      33.24980 
1 1 1 -1  16 1  o 119.462  12.609  138.993    25.904  109.087    30.870  210.172    47.625  100.311 18.299  136.438 20.636  -36.12692      27.58067 
1 1 1 -1  16 2  o 113.105  12.978  125.438    25.166  120.786    29.887  136.773    46.652  107.629 16.424  102.130 26.072  5.498383       30.81371 
1 1 1 -1  16 3  f 87.485   15.288  78.616     22.504  78.616     22.504  0.0000     0.0000  87.485  15.288  ?       ?       0.000000       15.28849 
1 1 1 -1  16 4  o 149.184  11.015  211.177    28.491  213.549    32.763  203.820    57.701  147.990 12.805  123.739 27.427  24.25125       30.26903 
1 1 1 -1  16 5  o 105.083  12.472  107.611    22.438  109.780    25.677  100.602    46.153  104.348 14.483  83.901  27.395  20.44748       30.98804 
1 1 1 -1  16 6  o 27.821   12.135  0.0288     11.101  0.6912     12.358  -2.7400    25.267  29.555  12.848  38.382  17.411  -8.827368      21.63835 
1 1 1 -1  16 7  o 75.978   13.294  57.591     16.993  58.192     19.381  55.591     35.340  74.885  15.339  65.815  23.861  9.069511       28.36586 
1 1 1 -1  16 8  o 30.876   12.856  4.2208     11.481  3.7012     12.432  7.2318     29.926  31.418  13.249  44.208  19.578  -12.79032      23.63949 
1 1 1 -1  16 9  o 39.493   14.283  14.412     12.651  10.013     14.023  33.651     29.323  36.817  14.616  55.051  21.349  -18.23372      25.87284 
1 1 1 -1  16 10 o 75.067   13.935  57.068     17.592  52.496     20.001  72.690     36.970  69.891  16.631  73.851  24.539  -3.959930      29.64336 
1 1 1 -1  16 11 o 44.231   14.480  19.757     12.891  14.637     14.829  35.590     26.078  40.478  15.310  55.854  20.459  -15.37592      25.55354 
1 1 1 -1  16 12 o 47.429   16.002  23.357     15.718  23.357     15.718  0.0000     0.0000  47.429  16.002  ?       ?       0.000000       16.00237 
1 1 1 -1  16 13 o 60.307   17.127  40.044     18.879  28.951     23.309  61.204     32.192  51.694  19.268  69.049  22.896  -17.35516      29.92468 
1 1 1 -1  16 14 o 99.616   14.938  102.133    25.182  86.787     31.811  127.890    41.213  84.745  21.472  100.390 23.862  -15.64464      32.10072 
1 1 1 -1  16 15 o 28.853   12.974  -2.8851    13.677  -7.9895    17.257  5.7365     22.428  30.175  13.946  39.391  17.213  -9.216755      22.15301 
1 1 1 -1  16 16 o 88.745   15.641  82.870     23.350  86.180     29.110  76.898     39.104  86.162  19.769  73.634  25.238  12.52800       32.05910 
1 1 1 -1  16 17 o 37.407   15.174  10.137     15.455  16.627     19.188  -1.8504    26.078  43.087  17.100  38.539  17.561  4.548180       24.51174 
1 1 1 -1  16 18 f 66.171   21.958  56.290     29.608  48.905     49.612  60.374     36.899  59.667  25.840  65.683  24.291  -6.015362      35.46482 
1 1 1 -1  16 19 f 73.568   22.021  69.534     30.494  126.611    51.522  38.758     37.833  87.914  28.956  55.996  23.329  31.91771       37.18495 
1 1 1 -1  16 20 o 87.419   21.545  95.060     32.676  107.743    50.915  86.178     42.607  79.374  28.661  74.738  26.303  4.635971       38.90123 
1 1 1 -1  16 21 o 46.528   19.607  19.721     27.191  8.0167     44.957  26.472     34.144  47.795  22.234  50.594  21.668  -2.798939      31.04588 
1 1 1 -1  16 22 o 47.770   19.521  23.576     25.815  28.719     43.917  20.861     31.909  52.325  23.409  47.889  20.732  4.436142       31.26969 
1 1 1 -1  16 23 o 45.033   16.823  21.384     17.786  28.026     21.640  7.5555     31.225  49.576  18.549  43.018  19.449  6.557800       26.87623 
1 1 1 -1  16 24 o 56.813   17.994  38.344     20.015  29.330     24.554  56.193     34.552  50.120  19.508  62.140  23.401  -12.01986      30.46594 
1 1 1 0   0  1  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 0   0  2  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 0   0  3  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 0   0  4  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 0   0  5  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 0   0  6  o 333.161  25.317  987.603    145.322 987.603    145.322 987.603    145.322 333.161 25.317  333.161 25.317  -0.000000      0.000000 
1 1 1 0   0  7  o 1489.85  83.048  19972.80   2145.07 19972.80   2145.07 19972.80   2145.07 1489.85 83.048  1489.85 83.048  0.000000       0.000000 
1 1 1 0   0  8  o 1207.08  47.036  12867.27   987.931 12867.27   987.931 12867.27   987.931 1207.08 47.036  1207.08 47.036  0.000000       0.000000 
1 1 1 0   0  9  f 1117.14  43.804  11012.60   851.461 11012.60   851.461 11012.60   851.461 1117.14 43.804  1117.14 43.804  -0.000000      0.000000 
1 1 1 0   0  10 o 109.013  13.869  108.743    25.234  108.743    25.234  108.743    25.234  109.013 13.869  109.013 13.869  0.000000       0.000000 
1 1 1 0   0  11 o 632.901  26.785  3524.16    294.788 3524.16    294.788 3524.16    294.788 632.901 26.785  632.901 26.785  -0.000000      0.000000 
1 1 1 0   0  12 o 594.236  25.508  3106.64    263.558 3106.64    263.558 3106.64    263.558 594.236 25.508  594.236 25.508  0.000000       0.000000 
1 1 1 0   0  13 o 960.164  38.159  8127.39    637.450 8127.39    637.450 8127.39    637.450 960.164 38.159  960.164 38.159  0.000000       0.000000 
1 1 1 0   0  14 o 825.882  33.271  6007.22    478.013 6007.22    478.013 6007.22    478.013 825.882 33.271  825.882 33.271  0.000000       0.000000 
1 1 1 0   0  15 o 1129.39  44.305  11267.04   870.642 11267.04   870.642 11267.04   870.642 1129.39 44.305  1129.39 44.305  0.000000       0.000000 
1 1 1 0   0  16 o 839.777  48.557  6272.73    706.550 6272.73    706.550 6272.73    706.550 839.777 48.557  839.777 48.557  0.000000       0.000000 
1 1 1 0   0  17 o 826.295  47.888  6073.58    685.610 6073.58    685.610 6073.58    685.610 826.295 47.888  826.295 47.888  0.000000       0.000000 
1 1 1 0   0  18 o 1100.31  62.187  10835.56   1186.02 10835.56   1186.02 10835.56   1186.02 1100.31 62.187  1100.31 62.187  -0.000000      0.000000 
1 1 1 0   0  19 o 111.089  13.955  112.824    25.911  112.824    25.911  112.824    25.911  111.089 13.955  111.089 13.955  0.000000       0.000000 
1 1 1 0   0  20 o 184.728  14.491  303.660    46.078  303.660    46.078  303.660    46.078  184.728 14.491  184.728 14.491  -0.000000      0.000000 
1 1 1 0   0  21 f 458.643  21.235  1852.24    169.221 1852.24    169.221 1852.24    169.221 458.643 21.235  458.643 21.235  -0.000000      0.000000 
1 1 1 0   0  22 o 20.919   11.572  5.2353     6.1843  5.2353     6.1843  5.2353     6.1843  20.919  11.572  20.919  11.572  -0.000000      0.000000 
1 1 1 0   0  23 o 849.762  34.323  6377.41    507.379 6377.41    507.379 6377.41    507.379 849.762 34.323  849.762 34.323  -0.000000      0.000000 
1 1 1 0   0  24 o 337.586  17.774  1005.18    104.105 1005.18    104.105 1005.18    104.105 337.586 17.774  337.586 17.774  -0.000000      0.000000 
1 1 1 0   0  25 o 493.024  22.328  2142.66    191.311 2142.66    191.311 2142.66    191.311 493.024 22.328  493.024 22.328  0.000000       0.000000 
1 1 1 0   0  26 o 620.564  26.461  3399.36    285.534 3399.36    285.534 3399.36    285.534 620.564 26.461  620.564 26.461  -0.000000      0.000000 
1 1 1 0   0  27 o 137.595  21.264  177.294    47.455  177.294    47.455  177.294    47.455  137.595 21.264  137.595 21.264  0.000000       0.000000 
1 1 1 0   0  28 o 1004.40  58.265  9196.25    1013.96 9196.25    1013.96 9196.25    1013.96 1004.40 58.265  1004.40 58.265  -0.000000      0.000000 
1 1 1 0   0  29 o 7.3884   5.1806  -2.7139    2.5324  -2.7139    2.5324  -2.7139    2.5324  7.3884  5.1806  7.3884  5.1806  0.000000       0.000000 
1 1 1 0   0  30 o 305.668  24.510  837.330    128.880 837.330    128.880 837.330    128.880 305.668 24.510  305.668 24.510  -0.000000      0.000000 
1 1 1 0   0  31 o 142.181  14.151  182.140    34.332  182.140    34.332  182.140    34.332  142.181 14.151  142.181 14.151  0.000000       0.000000 
1 1 1 0   0  32 o 370.102  18.753  1211.11    120.478 1211.11    120.478 1211.11    120.478 370.102 18.753  370.102 18.753  -0.000000      0.000000 
1 1 1 0   0  33 o 413.814  20.000  1514.46    143.741 1514.46    143.741 1514.46    143.741 413.814 20.000  413.814 20.000  0.000000       0.000000 
1 1 1 0   0  34 o 308.454  17.100  841.951    91.451  841.951    91.451  841.951    91.451  308.454 17.100  308.454 17.100  -0.000000      0.000000 
1 1 1 0   0  35 o 33.775   15.834  14.617     10.461  14.617     10.461  14.617     10.461  33.775  15.834  33.775  15.834  0.000000       0.000000 
1 1 1 0   0  36 o 202.514  14.855  364.897    51.879  364.897    51.879  364.897    51.879  202.514 14.855  202.514 14.855  -0.000000      0.000000 
1 1 1 0   0  37 o 423.760  19.867  1586.32    146.264 1586.32    146.264 1586.32    146.264 423.760 19.867  423.760 19.867  -0.000000      0.000000 
1 1 1 0   0  38 o 510.862  32.982  2337.05    291.392 2337.05    291.392 2337.05    291.392 510.862 32.982  510.862 32.982  -0.000000      0.000000 
1 1 1 0   0  39 o 84.383   23.871  75.646     30.460  75.646     30.460  75.646     30.460  84.383  23.871  84.383  23.871  -0.000000      0.000000 
1 1 1 0   0  40 o 494.529  32.206  2186.28    275.386 2186.28    275.386 2186.28    275.386 494.529 32.206  494.529 32.206  -0.000000      0.000000 
1 1 1 0   0  41 o 255.539  22.902  586.850    100.299 586.850    100.299 586.850    100.299 255.539 22.902  255.539 22.902  0.000000       0.000000 
1 1 1 0   0  42 o 257.121  22.959  594.043    101.186 594.043    101.186 594.043    101.186 257.121 22.959  257.121 22.959  -0.000000      0.000000 
1 1 1 0   0  43 o 435.091  29.592  1691.07    222.426 1691.07    222.426 1691.07    222.426 435.091 29.592  435.091 29.592  0.000000       0.000000 
1 1 1 0   0  44 o 39.865   20.429  20.390     18.042  20.390     18.042  20.390     18.042  39.865  20.429  39.865  20.429  -0.000000      0.000000 
1 1 1 0   0  45 o 144.301  24.429  197.752    56.254  197.752    56.254  197.752    56.254  144.301 24.429  144.301 24.429  -0.000000      0.000000 
1 1 1 0   0  46 o 630.347  38.748  3570.37    422.783 3570.37    422.783 3570.37    422.783 630.347 38.748  630.347 38.748  -0.000000      0.000000 
1 1 1 0   0  47 o 156.953  23.080  229.863    59.242  229.863    59.242  229.863    59.242  156.953 23.080  156.953 23.080  -0.000000      0.000000 
1 1 1 0   0  48 o 29.466   18.358  4.6885     19.158  4.6885     19.158  4.6885     19.158  29.466  18.358  29.466  18.358  0.000000       0.000000 
1 1 1 0   0  49 o 366.592  18.170  1187.29    115.654 1187.29    115.654 1187.29    115.654 366.592 18.170  366.592 18.170  0.000000       0.000000 
1 1 1 0   0  50 o 143.201  24.091  194.838    55.115  194.838    55.115  194.838    55.115  143.201 24.091  143.201 24.091  0.000000       0.000000 
1 1 1 0   0  51 o 299.527  24.734  806.567    127.327 806.567    127.327 806.567    127.327 299.527 24.734  299.527 24.734  -0.000000      0.000000 
1 1 1 0   0  52 o 155.863  22.608  226.703    57.758  226.703    57.758  226.703    57.758  155.863 22.608  155.863 22.608  -0.000000      0.000000 
1 1 1 0   0  53 o 722.191  27.822  4638.52    349.656 4638.52    349.656 4638.52    349.656 722.191 27.822  722.191 27.822  -0.000000      0.000000 
1 1 1 0   0  54 o 412.259  17.704  1501.29    126.906 1501.29    126.906 1501.29    126.906 412.259 17.704  412.259 17.704  0.000000       0.000000 
1 1 1 0   0  55 o ?        ?       -229.5967  46.293  -229.5967  46.293  -229.5967  46.293  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 0   0  56 o 254.161  16.834  575.184    73.954  575.184    73.954  575.184    73.954  254.161 16.834  254.161 16.834  -0.000000      0.000000 
1 1 1 0   0  57 o 19.471   13.674  -19.4507   17.846  -19.4507   17.846  -19.4507   17.846  19.471  13.674  19.471  13.674  0.000000       0.000000 
1 1 1 0   0  58 o 94.853   21.369  90.345     30.881  90.345     30.881  90.345     30.881  94.853  21.369  94.853  21.369  0.000000       0.000000 
1 1 1 0   0  59 o 271.550  15.141  654.878    71.282  654.878    71.282  654.878    71.282  271.550 15.141  271.550 15.141  0.000000       0.000000 
1 1 1 0   0  60 o 59.902   33.573  45.141     52.846  45.141     52.846  45.141     52.846  59.902  33.573  59.902  33.573  -0.000000      0.000000 
1 1 1 0   0  61 o 364.428  28.453  1223.64    178.511 1223.64    178.511 1223.64    178.511 364.428 28.453  364.428 28.453  0.000000       0.000000 
1 1 1 0   0  62 o 196.202  25.646  363.876    83.705  363.876    83.705  363.876    83.705  196.202 25.646  196.202 25.646  -0.000000      0.000000 
1 1 1 0   0  63 o 82.465   22.523  72.603     28.038  72.603     28.038  72.603     28.038  82.465  22.523  82.465  22.523  0.000000       0.000000 
1 1 1 0   0  64 o 217.311  15.214  425.150    57.080  425.150    57.080  425.150    57.080  217.311 15.214  217.311 15.214  -0.000000      0.000000 
1 1 1 0   0  65 o 155.592  16.277  222.691    43.113  222.691    43.113  222.691    43.113  155.592 16.277  155.592 16.277  0.000000       0.000000 
1 1 1 0   0  66 o 510.556  22.253  2397.09    197.523 2397.09    197.523 2397.09    197.523 510.556 22.253  510.556 22.253  -0.000000      0.000000 
1 1 1 0   0  67 o 25.040   16.977  -10.2105   22.171  -10.2105   22.171  -10.2105   22.171  25.040  16.977  25.040  16.977  0.000000       0.000000 
1 1 1 0   0  68 o 222.099  15.711  450.354    60.229  450.354    60.229  450.354    60.229  222.099 15.711  222.099 15.711  0.000000       0.000000 
1 1 1 0   0  69 o 24.733   16.508  -5.1443    19.488  -5.1443    19.488  -5.1443    19.488  24.733  16.508  24.733  16.508  -0.000000      0.000000 
1 1 1 0   0  70 o 275.391  15.878  696.036    75.770  696.036    75.770  696.036    75.770  275.391 15.878  275.391 15.878  -0.000000      0.000000 
1 1 1 0   0  71 o 153.773  26.363  246.236    64.539  246.236    64.539  246.236    64.539  153.773 26.363  153.773 26.363  0.000000       0.000000 
1 1 1 0   0  72 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 0   0  73 o 130.626  27.376  187.721    55.002  187.721    55.002  187.721    55.002  130.626 27.376  130.626 27.376  0.000000       0.000000 
1 1 1 0   0  74 o 37.583   21.562  19.347     22.497  19.347     22.497  19.347     22.497  37.583  21.562  37.583  21.562  0.000000       0.000000 
1 1 1 0   0  75 o 133.265  17.843  176.284    39.431  176.284    39.431  176.284    39.431  133.265 17.843  133.265 17.843  0.000000       0.000000 
1 1 1 0   0  76 o 91.920   23.309  96.407     32.348  96.407     32.348  96.407     32.348  91.920  23.309  91.920  23.309  0.000000       0.000000 
1 1 1 0   0  77 o 68.447   25.933  64.257     29.086  64.257     29.086  64.257     29.086  68.447  25.933  68.447  25.933  -0.000000      0.000000 
1 1 1 0   1  1  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 0   1  2  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 0   1  3  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 0   1  4  o 794.567  31.880  5546.63    442.294 5694.29    625.513 5398.99    625.484 801.401 44.882  779.938 46.135  21.46234       64.36484 
1 1 1 0   1  5  o 333.428  13.987  971.779    81.430  1055.25    141.054 930.054    99.727  346.281 23.467  325.601 17.607  20.67957       29.33809 
1 1 1 0   1  6  f 638.670  21.225  3571.24    236.691 3979.66    409.982 3367.05    289.879 671.662 35.080  619.623 26.793  52.03888       44.14180 
1 1 1 0   1  7  o 427.038  15.878  1594.64    118.390 1718.68    205.071 1532.63    144.992 441.893 26.704  418.464 19.844  23.42822       33.26946 
1 1 1 0   1  8  o 370.566  14.894  1200.56    96.370  1256.38    166.936 1172.66    118.022 377.720 25.460  365.624 18.548  12.09598       31.49968 
1 1 1 0   1  9  o 367.060  12.958  1177.56    83.051  1163.06    117.451 1192.05    117.452 364.117 18.535  369.115 18.224  -4.998230      25.99323 
1 1 1 0   1  10 o 172.122  9.8423  259.658    29.457  303.390    41.664  215.950    41.653  185.866 12.918  156.392 15.456  29.47406       20.14363 
1 1 1 0   1  11 o 868.267  24.534  6608.36    371.953 6390.00    526.016 6826.73    526.025 851.953 35.361  880.823 34.202  -28.86938      49.19524 
1 1 1 0   1  12 o 898.338  25.150  7076.02    394.488 7124.23    557.889 7027.82    557.891 899.465 35.522  893.305 35.767  6.159912       50.40965 
1 1 1 0   1  13 o 463.897  14.699  1881.62    119.065 1962.26    168.386 1800.98    168.381 473.405 20.371  453.475 21.266  19.93008       29.44824 
1 1 1 0   1  14 o 415.142  16.078  1507.40    116.547 1471.93    201.849 1525.13    142.745 408.449 28.481  417.391 19.586  -8.941833      34.56569 
1 1 1 0   1  15 o 820.878  26.925  5914.12    385.922 6302.28    668.434 5720.03    472.656 842.056 45.633  806.114 33.580  35.94208       56.65702 
1 1 1 0   1  16 o 939.085  30.352  7752.59    497.685 8187.32    862.014 7535.22    609.538 957.471 51.754  924.078 37.777  33.39209       64.07468 
1 1 1 0   1  17 o 1088.62  34.699  10443.27   659.561 11003.44   807.798 9322.96    1142.38 1115.21 41.484  1015.06 64.793  100.1508       76.93558 
1 1 1 0   1  18 o 702.017  23.642  4321.98    289.803 4396.73    354.934 4172.49    501.954 707.303 28.740  685.184 42.161  22.11902       51.02433 
1 1 1 0   1  19 o 553.972  19.487  2687.88    188.488 2730.10    230.850 2603.43    326.473 557.875 23.699  542.242 34.663  15.63330       41.99021 
1 1 1 0   1  20 o 442.153  16.709  1711.07    128.997 1651.99    157.983 1829.26    223.448 434.151 20.840  455.253 28.249  -21.10245      35.10488 
1 1 1 0   1  21 o 366.102  12.506  1171.89    79.946  865.711    113.032 1478.39    113.090 313.572 20.762  411.019 15.758  -97.44708      26.06458 
1 1 1 0   1  22 o 910.060  25.577  7279.40    406.429 7252.76    574.778 7306.04    574.778 905.299 36.362  908.664 36.227  -3.364685      51.32818 
1 1 1 0   1  23 f 265.959  10.728  618.338    49.820  778.030    70.489  458.945    70.423  298.218 13.537  228.184 17.816  70.03384       22.37584 
1 1 1 0   1  24 f 769.003  21.998  5193.99    295.370 4984.80    417.710 5403.20    417.723 750.891 31.859  782.151 30.587  -31.26056      44.16517 
1 1 1 0   1  25 f 108.953  10.863  104.835    20.390  105.280    24.991  103.949    35.266  108.858 13.433  107.180 19.565  1.677551       23.73265 
1 1 1 0   1  26 o 1033.18  33.345  9482.18    601.551 9036.12    736.740 10374.35   1041.93 1003.51 42.047  1062.60 56.359  -59.09857      70.31512 
1 1 1 0   1  27 o 397.547  15.531  1385.62    107.810 1494.12    132.057 1168.79    186.682 412.478 18.336  361.914 29.807  50.56366       34.99493 
1 1 1 0   1  28 o 440.754  16.643  1705.08    128.081 1780.63    156.881 1554.06    221.803 449.887 19.971  417.067 30.673  32.81955       36.60177 
1 1 1 0   1  29 o 998.015  32.343  8890.62    563.619 8301.83    976.207 9185.02    690.293 938.277 59.899  1009.26 39.171  -70.97729      71.57027 
1 1 1 0   1  30 o 468.214  21.481  1934.43    175.617 1913.38    248.367 1955.49    248.355 462.061 30.964  467.277 30.608  -5.215912      43.53870 
1 1 1 0   1  31 o 358.854  18.360  1136.61    114.658 1099.21    162.158 1174.00    162.143 350.771 26.676  362.844 25.760  -12.07330      37.08348 
1 1 1 0   1  32 o 577.657  17.576  2936.82    177.274 2904.79    250.694 2968.85    250.712 572.114 25.096  578.491 24.821  -6.376587      35.29678 
1 1 1 0   1  33 o 219.369  10.410  421.349    39.874  361.827    56.366  480.975    56.415  202.252 16.094  233.708 13.887  -31.45558      21.25740 
1 1 1 0   1  34 o 566.856  17.397  2827.79    172.195 2756.25    243.525 2899.33    243.515 557.273 25.027  571.789 24.391  -14.51538      34.94675 
1 1 1 0   1  35 o 422.364  14.148  1565.29    104.335 1511.97    147.580 1618.57    147.525 413.983 20.416  428.479 19.718  -14.49597      28.38398 
1 1 1 0   1  36 o 177.919  11.668  278.440    36.048  289.098    44.277  257.485    62.084  181.000 14.122  169.502 21.457  11.49792       25.68737 
1 1 1 0   1  37 o 490.148  22.102  2120.36    189.154 2051.98    267.455 2188.80    267.554 478.278 32.214  494.454 31.149  -16.17603      44.81095 
1 1 1 0   1  38 o 274.283  16.026  662.431    76.416  587.243    107.996 737.820    108.141 256.696 24.388  288.558 21.620  -31.86200      32.59153 
1 1 1 0   1  39 o 283.215  16.415  706.140    80.825  709.828    114.159 702.433    114.449 282.765 23.330  281.241 23.522  1.524506       33.12990 
1 1 1 0   1  40 o 314.030  16.430  867.482    89.777  993.623    127.425 743.148    126.508 335.213 21.891  289.015 25.324  46.19772       33.47434 
1 1 1 0   1  41 o 158.974  14.027  223.112    38.537  250.420    55.063  196.894    53.953  167.754 19.141  148.071 21.496  19.68364       28.78329 
1 1 1 0   1  42 o 573.948  24.846  2907.02    248.994 2912.06    352.237 2901.99    352.025 570.231 35.554  569.221 35.597  1.009277       50.31161 
1 1 1 0   1  43 o 559.865  16.928  2750.30    165.482 2613.52    234.028 2887.09    234.025 544.245 24.627  572.310 23.419  -28.06433      33.98433 
1 1 1 0   1  44 o 566.683  16.807  2817.72    166.299 2722.93    235.180 2912.51    235.184 555.567 24.244  574.777 23.434  -19.21057      33.71816 
1 1 1 0   1  45 o 569.377  16.908  2845.14    168.095 2650.01    237.694 3040.36    237.750 547.851 24.848  587.240 23.187  -39.38940      33.98616 
1 1 1 0   1  46 o 287.168  12.209  721.986    61.220  548.421    104.446 812.827    75.561  248.079 24.429  304.547 14.210  -56.46819      28.26133 
1 1 1 0   1  47 o 325.263  13.454  926.906    76.412  796.034    131.348 993.856    93.945  299.045 25.395  336.561 15.986  -37.51575      30.00794 
1 1 1 0   1  48 o 305.198  16.744  820.239    88.885  759.232    125.399 881.842    126.009 292.062 24.825  315.309 23.047  -23.24622      33.87430 
1 1 1 0   1  49 o 442.636  19.916  1724.90    153.928 1495.80    217.309 1955.61    218.068 408.784 30.669  469.015 26.739  -60.23141      40.68856 
1 1 1 0   1  50 o 392.507  15.004  1351.75    102.828 1501.78    126.284 1056.56    177.136 413.346 17.497  343.277 29.850  70.06882       34.60022 
1 1 1 0   1  51 o 546.086  23.811  2638.11    227.041 2748.86    321.520 2527.95    320.651 552.979 33.457  529.554 34.874  23.42468       48.32739 
1 1 1 0   1  52 o 153.948  15.616  210.267    41.396  241.085    60.433  183.023    56.820  163.851 21.654  141.955 23.764  21.89583       32.14971 
1 1 1 0   1  53 o 274.961  13.527  663.261    64.944  672.768    113.863 658.677    79.067  274.503 23.997  273.171 16.656  1.331268       29.21115 
1 1 1 0   1  54 o 836.726  26.992  6239.79    394.356 6118.75    683.214 6300.27    482.926 809.097 48.586  836.503 33.064  -27.40558      58.76892 
1 1 1 0   1  55 o 262.344  14.274  606.415    65.140  356.986    117.195 717.926    78.360  195.685 35.611  285.234 15.795  -89.54863      38.95705 
1 1 1 0   1  56 o 233.541  11.399  478.263    46.482  584.413    67.911  384.707    63.756  257.286 15.184  208.083 17.716  49.20280       23.33296 
1 1 1 0   1  57 o 189.060  11.423  314.706    37.532  349.774    54.957  284.057    51.379  198.589 15.985  178.702 16.658  19.88628       23.08682 
1 1 1 0   1  58 o 535.438  18.381  2538.16    171.846 2918.78    298.785 2350.02    210.068 566.753 30.302  512.980 23.453  53.77246       38.31807 
1 1 1 0   1  59 o 67.180   18.378  41.302     22.180  80.161     42.572  26.824     25.986  92.921  25.477  58.358  20.541  34.56239       32.72657 
1 1 1 0   1  60 o 296.789  13.808  776.851    71.555  955.615    124.686 689.066    87.375  325.949 22.038  277.954 18.102  47.99411       28.51911 
1 1 1 0   1  61 o 91.607   16.113  76.516     24.833  91.957     46.136  70.217     29.465  98.813  26.283  86.975  19.841  11.83752       32.93113 
1 1 1 0   1  62 o 104.037  15.844  98.212     27.872  99.330     34.024  95.932     48.600  103.725 19.502  100.543 27.078  3.181557       33.37020 
1 1 1 0   1  63 o 95.821   17.119  84.327     27.591  87.291     35.642  79.894     43.584  96.415  21.696  91.882  25.999  4.532707       33.86224 
1 1 1 0   1  64 o 223.975  13.794  447.080    53.681  434.679    66.534  470.208    90.862  219.475 17.507  225.524 23.416  -6.049118      29.23699 
1 1 1 0   1  65 o 174.533  11.372  270.552    34.467  335.416    50.643  214.580    47.044  193.209 15.133  153.347 17.907  39.86246       23.44474 
1 1 1 0   1  66 o 89.470   15.136  73.550     22.802  75.630     34.992  72.014     30.061  88.835  22.527  87.171  20.153  1.663612       30.22586 
1 1 1 0   1  67 o 81.599   16.802  62.292     23.142  44.646     34.572  76.618     31.150  70.391  23.733  89.647  20.364  -19.25664      31.27183 
1 1 1 0   1  68 o 193.922  11.461  335.754    38.634  393.037    56.246  284.588    53.158  207.961 15.604  175.854 17.547  32.10750       23.48103 
1 1 1 0   1  69 o 99.353   16.833  92.333     28.160  87.967     35.297  99.975     46.703  95.060  21.738  99.588  26.422  -4.527420      34.21540 
1 1 1 0   1  70 f 98.458   16.257  90.734     26.972  103.327    34.203  70.023     43.864  103.775 19.594  83.722  26.651  20.05310       33.07886 
1 1 1 0   1  71 o 121.983  18.095  140.961    37.372  139.967    51.679  142.051    54.109  117.005 25.973  117.235 26.991  -0.2302780     37.45847 
1 1 1 0   1  72 o 50.493   18.994  19.492     22.753  20.491     28.185  17.622     38.552  53.766  20.908  57.558  23.727  -3.791637      31.62462 
1 1 1 0   1  73 o 107.891  14.372  108.402    26.401  101.485    43.165  112.536    33.370  98.611  25.027  107.950 18.361  -9.339058      31.04035 
1 1 1 0   1  74 o 38.845   16.034  5.9145     17.636  7.0137     25.876  4.9609     24.102  45.547  19.156  43.395  18.382  2.151825       26.54923 
1 1 1 0   1  75 o 53.497   17.714  26.823     19.272  34.337     29.960  21.520     25.171  60.872  21.985  52.143  19.893  8.728832       29.64927 
1 1 1 0   1  76 o 44.267   17.671  12.245     20.601  3.5156     37.191  16.108     24.744  50.474  22.107  48.747  19.396  1.726841       29.40961 
1 1 1 0   1  77 o 78.232   15.476  59.590     20.391  72.918     29.160  46.836     28.525  84.060  20.133  67.239  21.501  16.82119       29.45531 
1 1 1 0   2  0  o 807.961  32.455  5718.72    457.865 5938.27    647.520 5499.17    647.517 820.763 45.359  789.421 47.193  31.34216       65.45651 
1 1 1 0   2  1  o 139.042  9.3158  169.634    22.486  205.865    31.804  133.424    31.795  153.018 12.000  122.601 15.177  30.41705       19.34798 
1 1 1 0   2  2  o 584.291  17.558  2986.51    179.128 2908.85    206.838 3219.50    358.266 576.431 20.550  604.035 34.108  -27.60437      39.82081 
1 1 1 0   2  3  o 707.326  20.335  4379.72    251.147 4566.51    355.179 4192.94    355.173 721.353 28.199  691.057 29.435  30.29584       40.76287 
1 1 1 0   2  4  o 821.723  23.287  5916.06    334.118 5871.13    472.514 5960.99    472.516 817.111 33.118  823.385 32.866  -6.274109      46.65861 
1 1 1 0   2  5  o 853.559  24.117  6385.18    359.434 6511.08    508.317 6259.28    508.317 860.333 33.838  843.404 34.517  16.92828       48.33688 
1 1 1 0   2  6  o 188.565  9.7709  311.455    32.060  239.246    45.331  383.722    45.349  164.630 15.970  209.168 12.474  -44.53769      20.26442 
1 1 1 0   2  7  o 197.176  10.036  340.533    34.439  393.484    48.714  287.626    48.694  211.760 13.241  180.693 15.586  31.06799       20.45150 
1 1 1 0   2  8  o 1279.00  34.564  14398.11   771.899 13772.36   1091.62 15023.87   1091.64 1245.31 50.203  1301.60 48.033  -56.28406      69.48021 
1 1 1 0   2  9  o 875.835  24.790  6725.47    379.105 6762.21    536.135 6688.73    536.138 876.373 35.037  871.557 35.230  4.815430       49.68646 
1 1 1 0   2  10 o 1091.96  34.424  10496.63   656.332 9798.58    1136.77 10845.68   803.850 1043.36 62.690  1107.87 41.555  -64.51160      75.21160 
1 1 1 0   2  11 o 348.054  14.535  1059.21    88.331  984.016    152.970 1096.82    108.192 333.860 26.458  354.060 17.501  -20.20004      31.72186 
1 1 1 0   2  12 o 286.207  13.251  716.060    66.222  732.325    114.687 707.924    81.110  288.163 22.985  284.007 16.426  4.156128       28.25124 
1 1 1 0   2  13 o 1000.000 31.623  8795.48    552.154 8556.37    956.327 8915.05    676.259 976.995 56.298  1004.97 38.539  -27.97607      68.22550 
1 1 1 0   2  14 o 720.133  20.885  4542.60    262.606 4487.23    371.380 4597.97    371.382 714.507 29.768  723.329 29.405  -8.821899      41.84246 
1 1 1 0   2  15 o 194.079  10.085  329.996    34.059  404.705    48.179  255.366    48.154  214.777 12.907  170.061 16.421  44.71663       20.88630 
1 1 1 0   2  16 f 1004.72  28.065  8869.47    492.353 8979.58    696.294 8759.37    696.289 1007.78 39.570  995.186 40.070  12.59314       56.31524 
1 1 1 0   2  17 o 573.679  17.428  2880.67    174.578 2696.45    246.882 3064.92    246.899 554.215 25.512  591.067 23.923  -36.85156      34.97426 
1 1 1 0   2  18 o 631.329  21.694  3494.34    239.138 3400.98    292.868 3681.13    414.243 622.130 26.961  644.401 36.971  -22.27136      45.75693 
1 1 1 0   2  19 o 487.501  17.651  2080.94    150.250 1939.95    183.995 2363.13    260.306 470.276 22.407  517.440 28.927  -47.16434      36.59046 
1 1 1 0   2  20 f 728.269  24.378  4658.10    309.994 4599.14    379.647 4776.06    536.972 722.520 30.093  731.948 42.194  -9.428833      51.82616 
1 1 1 0   2  21 f 131.992  9.4913  153.035    21.728  182.910    30.727  123.156    30.730  144.100 12.331  117.637 15.324  26.46268       19.66970 
1 1 1 0   2  22 o 235.913  10.669  486.545    43.949  440.639    62.127  532.529    62.180  223.751 16.008  246.241 14.526  -22.48976      21.61616 
1 1 1 0   2  23 o 545.510  19.430  2610.82    185.075 2654.87    226.678 2522.76    320.536 549.446 23.628  532.307 34.676  17.13947       41.96060 
1 1 1 0   2  24 o 623.232  21.590  3414.42    234.947 3399.27    287.758 3444.71    406.920 620.761 26.549  620.569 37.733  0.1914673      46.13685 
1 1 1 0   2  25 o 526.052  18.979  2430.22    174.326 2423.00    213.513 2444.66    301.921 524.487 23.315  523.464 33.205  1.023010       40.57231 
1 1 1 0   2  26 o 495.024  15.395  2148.50    133.066 1818.07    188.153 2479.13    188.214 453.417 23.850  530.919 20.303  -77.50174      31.32118 
1 1 1 0   2  27 o 392.966  13.374  1352.96    91.763  1218.98    129.745 1487.07    129.801 371.647 20.068  411.378 18.071  -39.73080      27.00520 
1 1 1 0   2  28 o 544.595  16.744  2605.18    159.218 2464.03    225.155 2746.36    225.182 527.823 24.430  557.616 23.128  -29.79242      33.64139 
1 1 1 0   2  29 f 129.825  9.5860  148.266    21.576  149.570    30.521  146.963    30.505  129.896 13.662  128.730 13.786  1.166367       19.40871 
1 1 1 0   2  30 o 490.716  17.841  2119.23    152.869 2164.29    264.833 2096.72    187.206 491.035 31.048  487.087 22.012  3.947906       38.05928 
1 1 1 0   2  31 o 487.596  21.878  2102.01    186.264 1856.06    263.370 2348.14    263.465 453.248 33.516  511.901 29.603  -58.65268      44.71773 
1 1 1 0   2  32 o 360.924  26.528  1164.79    166.005 1164.79    166.005 0.0000     0.0000  360.924 26.528  ?       ?       0.000000       26.52758 
1 1 1 0   2  33 o 323.160  14.036  916.546    79.201  888.011    97.054  973.431    137.032 317.138 17.596  330.572 23.902  -13.43344      29.68010 
1 1 1 0   2  34 o 70.552   14.196  45.234     16.882  0.0000     0.0000  45.234     16.882  ?       ?       70.552  14.196  0.000000       14.19612 
1 1 1 0   2  35 o 360.215  26.323  1157.66    164.415 0.0000     0.0000  1157.66    164.415 ?       ?       360.215 26.323  0.000000       26.32300 
1 1 1 0   2  36 o 694.292  42.181  4393.62    508.935 0.0000     0.0000  4393.62    508.935 ?       ?       694.292 42.181  0.000000       42.18120 
1 1 1 0   2  37 o 455.268  17.027  1820.42    135.352 1939.51    234.653 1761.03    165.695 466.445 28.954  447.041 21.228  19.40469       35.90205 
1 1 1 0   2  38 o 315.840  11.941  873.286    65.850  937.855    93.243  809.039    93.011  326.918 16.335  303.002 17.657  23.91553       24.05383 
1 1 1 0   2  39 o 678.282  19.788  4045.52    234.353 4064.73    331.442 4026.31    331.409 677.457 28.020  674.202 28.152  3.254395       39.71960 
1 1 1 0   2  40 o 546.928  19.362  2629.00    184.900 2708.80    320.384 2589.14    226.411 550.581 33.485  541.817 23.932  8.764282       41.15844 
1 1 1 0   2  41 o 430.138  16.328  1622.89    122.634 1702.36    150.249 1464.29    212.256 440.096 19.552  405.213 30.217  34.88303       35.99097 
1 1 1 0   2  42 o 427.336  16.010  1601.54    119.460 1738.30    146.398 1329.02    206.656 444.821 18.849  385.734 30.943  59.08664       36.23227 
1 1 1 0   2  43 o 804.478  32.359  5756.34    454.543 5756.34    454.543 0.0000     0.0000  804.478 32.359  ?       ?       0.000000       32.35921 
1 1 1 0   2  44 o 749.966  24.384  4964.05    319.306 4676.46    390.942 5540.36    553.415 725.562 30.859  783.897 40.571  -58.33527      50.97331 
1 1 1 0   2  45 o 435.408  16.421  1663.57    124.843 1625.11    152.892 1740.50    216.260 429.757 20.375  442.334 28.147  -12.57700      34.74732 
1 1 1 0   2  46 o 204.948  11.400  368.771    40.634  356.261    49.689  394.026    70.600  201.111 14.242  210.799 19.399  -9.687851      24.06572 
1 1 1 0   2  47 o 305.405  13.456  817.288    71.757  764.213    87.858  923.629    124.361 294.494 17.160  322.914 22.191  -28.42041      28.05223 
1 1 1 0   2  48 o 350.278  14.194  1075.72    86.809  1031.44    106.227 1164.75    150.622 342.116 17.844  362.309 23.944  -20.19238      29.86225 
1 1 1 0   2  49 f 363.551  12.462  1157.85    79.109  1090.25    111.559 1226.22    112.198 351.633 18.232  373.554 17.202  -21.92075      25.06622 
1 1 1 0   2  50 o 272.167  10.558  648.378    50.175  577.750    70.390  721.333    71.541  256.024 15.823  286.763 14.288  -30.73932      21.31964 
1 1 1 0   2  51 o 111.304  13.306  110.158    25.347  141.480    47.838  97.932     29.887  124.617 22.826  104.221 17.010  20.39592       28.46756 
1 1 1 0   2  52 o 393.252  15.523  1358.66    106.590 1581.15    186.538 1250.79    129.882 421.269 25.480  376.064 19.850  45.20523       32.29934 
1 1 1 0   2  53 o 145.333  16.769  188.263    41.774  0.0000     0.0000  188.263    41.774  ?       ?       145.333 16.769  0.000000       16.76945 
1 1 1 0   2  54 f 516.977  22.800  2370.09    205.814 0.0000     0.0000  2370.09    205.814 ?       ?       516.977 22.800  0.000000       22.80032 
1 1 1 0   2  55 o 295.358  18.321  772.883    94.019  843.222    130.031 695.820    136.104 306.849 24.473  277.279 28.518  29.56985       37.57966 
1 1 1 0   2  56 o 110.590  22.700  112.578    42.365  113.184    64.261  112.112    56.343  110.464 31.676  109.700 28.982  0.7638931      42.93332 
1 1 1 0   2  57 o 84.059   23.024  65.008     34.788  65.598     50.854  64.489     47.692  86.995  28.774  85.749  27.841  1.245819       40.03787 
1 1 1 0   2  58 o 134.161  14.829  160.560    34.156  217.455    62.839  136.703    40.692  154.122 24.144  122.620 19.671  31.50138       31.14252 
1 1 1 0   2  59 o 119.775  12.504  127.581    25.765  140.402    35.725  113.686    37.193  124.846 16.816  111.427 19.844  13.41893       26.01095 
1 1 1 0   2  60 o 111.971  13.133  112.016    25.189  90.135     35.564  134.042    35.682  98.521  21.295  121.716 17.274  -23.19504      27.42045 
1 1 1 0   2  61 o 328.730  12.336  952.948    70.809  977.133    100.115 928.740    100.165 330.820 17.393  322.304 17.869  8.516113       24.93585 
1 1 1 0   2  62 o 258.038  11.535  587.130    51.971  610.403    74.202  564.721    72.813  261.319 16.344  251.186 16.697  10.13309       23.36486 
1 1 1 0   2  63 o 117.769  14.930  125.245    30.013  117.249    36.785  141.169    51.908  112.632 19.405  121.890 25.221  -9.257751      31.82202 
1 1 1 0   2  64 o 53.391   19.580  21.280     23.895  19.073     30.498  24.788     38.455  55.883  21.744  62.703  24.411  -6.819782      32.69115 
1 1 1 0   2  65 o 351.053  15.234  1103.40    93.379  1106.18    114.618 1097.93    161.030 348.717 18.895  340.071 27.350  8.646027       33.24224 
1 1 1 0   2  66 o 197.053  13.659  348.385    46.708  359.864    58.225  327.666    78.228  198.876 16.928  185.546 24.764  13.33080       29.99747 
1 1 1 0   2  67 o 54.864   19.554  24.570     23.620  31.112     31.296  15.912     36.004  61.845  22.449  56.946  23.138  4.898895       32.23880 
1 1 1 0   2  68 o 26.452   12.825  -29.8286   18.406  -24.3909   24.872  -36.4119   27.366  34.399  16.175  33.705  16.163  0.6943245      22.86592 
1 1 1 0   2  69 o 211.827  13.372  405.509    49.206  463.484    61.573  303.042    81.857  225.055 15.768  173.416 27.987  51.63875       32.12310 
1 1 1 0   2  70 o 23.620   11.609  -33.2128   16.645  -10.6125   25.676  -49.5951   21.860  39.104  17.662  25.858  12.819  13.24579       21.82360 
1 1 1 0   2  71 o 79.093   17.209  60.071     23.090  77.544     33.616  44.464     31.769  88.139  21.932  68.207  22.751  19.93236       31.60083 
1 1 1 0   2  72 o 99.664   15.415  93.386     25.959  55.235     38.404  125.481    35.224  74.453  25.014  114.329 18.260  -39.87592      30.96965 
1 1 1 0   2  73 o 67.180   18.844  44.438     23.000  50.627     32.923  38.537     32.146  71.120  23.134  64.216  22.820  6.903526       32.49472 
1 1 1 0   2  74 o 95.706   17.995  89.471     28.967  80.498     51.905  93.531     34.909  85.414  29.078  95.941  21.385  -10.52753      36.09510 
1 1 1 0   2  75 o 76.002   22.662  60.324     32.343  0.0000     0.0000  60.324     32.343  ?       ?       76.002  22.662  0.000000       22.66196 
1 1 1 0   2  76 o 36.478   16.548  -8.6956    22.824  -39.1728   38.842  7.3780     28.208  40.621  19.419  46.557  19.810  -5.936089      27.74072 
1 1 1 0   2  77 o 63.001   20.790  40.539     26.555  30.809     50.813  44.195     31.147  63.631  26.807  65.385  22.518  -1.754150      35.01025 
1 1 1 0   3  1  o 298.924  11.673  780.872    60.924  747.756    86.157  813.992    86.163  291.865 16.980  304.625 16.258  -12.75980      23.50804 
1 1 1 0   3  2  o 577.419  17.376  2917.17    175.183 2827.01    247.743 3007.33    247.750 567.766 24.990  585.673 24.227  -17.90674      34.80580 
1 1 1 0   3  3  o 194.456  10.008  331.237    33.865  309.914    39.102  395.242    67.746  187.932 11.978  211.706 18.513  -23.77461      22.05018 
1 1 1 0   3  4  o 322.389  11.768  908.306    66.246  1026.98    93.698  789.695    93.675  342.670 15.660  299.867 17.974  42.80252       23.83893 
1 1 1 0   3  5  o 1266.56  39.673  14167.13   877.370 13588.53   1519.64 14456.43   1074.56 1222.95 71.476  1275.94 48.232  -52.98315      86.22772 
1 1 1 0   3  6  o 1035.25  32.913  9432.05    594.951 8843.37    1030.47 9726.41    728.670 991.714 59.789  1049.36 39.769  -57.64624      71.80722 
1 1 1 0   3  7  o 490.600  17.908  2106.35    153.404 2268.22    265.695 2025.41    187.883 507.109 30.142  480.757 22.382  26.35208       37.54360 
1 1 1 0   3  8  o 1134.67  35.937  11350.52   711.987 11422.85   1233.18 11314.35   872.009 1125.39 63.010  1130.05 44.194  -4.660767      76.96329 
1 1 1 0   3  9  o 1129.34  35.920  11245.75   708.301 11206.06   1226.79 11265.60   867.496 1114.19 63.321  1127.53 44.063  -13.34241      77.14346 
1 1 1 0   3  10 o 636.155  18.608  3542.74    206.693 3211.27    292.298 3874.27    292.318 604.668 27.685  664.503 25.194  -59.83569      37.43260 
1 1 1 0   3  11 o 636.601  18.714  3548.04    208.011 3666.91    294.173 3429.17    294.171 646.323 26.067  624.903 26.960  21.42072       37.50127 
1 1 1 0   3  12 o 318.618  12.058  887.347    67.082  800.012    94.851  974.746    94.885  301.770 18.085  333.777 16.281  -32.00681      24.33356 
1 1 1 0   3  13 o 422.985  16.377  1565.57    120.957 1288.05    209.491 1704.35    148.146 381.187 31.764  441.145 19.233  -59.95789      37.13306 
1 1 1 0   3  14 o 767.994  22.108  5171.53    296.463 4983.92    419.255 5359.17    419.270 752.181 31.922  780.230 30.776  -28.04828      44.34157 
1 1 1 0   3  15 o 396.737  13.711  1376.54    94.979  1571.12    134.327 1181.98    134.315 423.576 18.162  366.603 21.072  56.97208       27.81860 
1 1 1 0   3  16 o 374.501  15.278  1227.20    99.903  1304.17    122.351 1073.23    173.051 385.888 18.159  348.076 28.730  37.81226       33.98750 
1 1 1 0   3  17 o 983.667  31.873  8534.92    547.443 8426.02    670.463 8752.75    948.244 974.742 39.393  984.606 55.381  -9.864014      67.96257 
1 1 1 0   3  18 o 667.741  22.555  3914.18    262.970 3752.76    322.050 4237.15    455.539 652.808 28.254  690.292 37.940  -37.48419      47.30465 
1 1 1 0   3  19 o 363.371  18.400  1160.24    116.360 1160.24    116.360 0.0000     0.0000  363.371 18.400  ?       ?       0.000000       18.39971 
1 1 1 0   3  20 o 487.773  22.139  2090.07    188.557 2090.07    188.557 0.0000     0.0000  487.773 22.139  ?       ?       0.000000       22.13922 
1 1 1 0   3  21 o 301.561  13.547  795.973    71.329  763.466    87.369  860.943    123.518 294.631 17.056  312.076 22.826  -17.44498      28.49453 
1 1 1 0   3  22 o 471.977  17.478  1953.99    144.039 1933.41    176.425 1995.13    249.444 468.912 21.548  473.761 30.313  -4.849060      37.19159 
1 1 1 0   3  23 o 214.024  10.271  400.625    38.383  382.287    54.265  418.986    54.297  208.321 15.019  218.223 14.330  -9.901962      20.75854 
1 1 1 0   3  24 o 527.635  16.338  2442.54    150.523 2339.06    212.860 2546.04    212.883 514.946 23.674  537.472 22.684  -22.52655      32.78754 
1 1 1 0   3  25 o 212.315  10.340  394.404    38.331  394.500    54.207  394.307    54.209  211.594 14.764  211.541 14.769  0.5258179E-01  20.88327 
1 1 1 0   3  26 o 252.107  12.769  558.313    56.027  558.475    68.599  557.988    97.097  251.754 15.683  250.442 22.442  1.311859       27.37930 
1 1 1 0   3  27 o 287.248  16.519  727.409    82.504  727.409    82.504  0.0000     0.0000  287.248 16.519  ?       ?       0.000000       16.51925 
1 1 1 0   3  28 o 529.601  19.050  2471.37    176.159 2381.40    215.723 2651.43    305.189 518.530 23.827  543.001 32.335  -24.47083      40.16556 
1 1 1 0   3  29 o 372.469  15.194  1218.69    98.816  1236.13    171.338 1209.99    120.960 371.892 26.561  370.076 18.781  1.815247       32.52989 
1 1 1 0   3  30 o 521.215  18.828  2394.82    171.349 2459.08    296.913 2362.74    209.813 522.163 32.731  516.400 23.269  5.763000       40.15955 
1 1 1 0   3  31 o 158.733  13.961  222.829    38.301  0.0000     0.0000  222.829    38.301  ?       ?       158.733 13.961  0.000000       13.96125 
1 1 1 0   3  32 o 336.486  17.785  999.483    104.123 0.0000     0.0000  999.483    104.123 ?       ?       336.486 17.785  0.000000       17.78537 
1 1 1 0   3  33 f 235.909  15.221  490.716    62.364  0.0000     0.0000  490.716    62.364  ?       ?       235.909 15.221  0.000000       15.22122 
1 1 1 0   3  34 o 376.445  15.161  1244.00    99.651  1114.70    172.490 1308.77    122.086 352.909 28.229  385.668 18.130  -32.75885      33.54899 
1 1 1 0   3  35 o 495.945  15.075  2158.17    130.542 2242.12    184.703 2074.39    184.527 504.315 20.975  484.897 21.794  19.41769       30.24841 
1 1 1 0   3  36 o 575.393  17.034  2907.47    171.140 3050.15    242.115 2764.99    241.941 587.764 23.592  559.294 24.775  28.46997       34.21026 
1 1 1 0   3  37 o 596.136  17.536  3120.82    182.527 3320.84    258.228 2921.09    258.037 613.349 24.112  574.817 25.709  38.53131       35.24701 
1 1 1 0   3  38 o 147.314  11.134  190.972    28.428  201.517    35.209  171.221    48.185  151.079 13.489  138.018 20.627  13.06088       24.64639 
1 1 1 0   3  39 o 363.713  12.675  1158.28    80.494  1214.95    114.003 1101.95    113.671 372.008 17.551  353.707 18.469  18.30115       25.47846 
1 1 1 0   3  40 o 588.829  17.540  3043.76    180.339 3014.01    255.058 3073.49    255.017 584.287 25.001  590.089 24.751  -5.802002      35.17996 
1 1 1 0   3  41 o 447.554  13.410  1754.42    104.795 1573.56    147.844 1937.04    148.563 423.017 20.016  469.644 18.117  -46.62622      26.99753 
1 1 1 0   3  42 o 579.992  19.322  2956.95    195.672 2772.15    239.447 3328.41    339.485 560.426 24.470  610.970 31.934  -50.54376      40.23092 
1 1 1 0   3  43 o 293.993  16.490  760.795    84.307  760.795    84.307  0.0000     0.0000  293.993 16.490  ?       ?       0.000000       16.49001 
1 1 1 0   3  44 o 91.650   14.673  75.462     22.688  75.462     22.688  0.0000     0.0000  91.650  14.673  ?       ?       0.000000       14.67256 
1 1 1 0   3  45 o 379.143  18.738  1263.80    124.049 1263.80    124.049 0.0000     0.0000  379.143 18.738  ?       ?       0.000000       18.73827 
1 1 1 0   3  46 o 163.425  9.6719  234.436    27.476  180.454    37.162  299.530    40.808  142.638 15.153  184.480 12.747  -41.84235      19.80152 
1 1 1 0   3  47 o 254.457  10.536  566.632    46.813  474.605    65.005  665.769    67.470  231.952 16.151  275.204 14.088  -43.25264      21.43214 
1 1 1 0   3  48 o 250.535  10.321  549.307    45.151  451.083    62.749  654.759    65.017  226.097 15.998  273.285 13.625  -47.18742      21.01400 
1 1 1 0   3  49 o 406.888  12.881  1451.08    91.515  1232.66    128.607 1675.11    130.253 373.513 19.790  436.520 17.089  -63.00793      26.14744 
1 1 1 0   3  50 o 152.311  10.046  203.924    26.568  156.196    34.976  269.025    40.849  132.486 15.407  174.627 13.502  -42.14101      20.48632 
1 1 1 0   3  51 o 177.942  10.569  278.228    32.689  242.617    43.167  326.106    50.052  165.524 15.102  192.111 15.041  -26.58707      21.31476 
1 1 1 0   3  52 o 118.903  13.205  125.550    26.951  103.934    35.075  156.713    42.113  106.910 19.508  132.030 18.798  -25.12056      27.09159 
1 1 1 0   3  53 o 461.196  14.510  1869.03    116.845 1717.57    164.291 2024.06    166.214 440.457 21.362  478.586 19.891  -38.12866      29.18867 
1 1 1 0   3  54 o 349.565  19.180  1083.08    116.624 0.0000     0.0000  1083.08    116.624 ?       ?       349.565 19.180  0.000000       19.18046 
1 1 1 0   3  55 o 541.140  23.785  2609.63    224.737 0.0000     0.0000  2609.63    224.737 ?       ?       541.140 23.785  0.000000       23.78492 
1 1 1 0   3  56 o 325.984  17.969  942.636    101.881 0.0000     0.0000  942.636    101.881 ?       ?       325.984 17.969  0.000000       17.96856 
1 1 1 0   3  57 o 186.115  13.730  306.600    44.303  310.887    72.721  304.070    55.866  185.195 22.983  184.546 17.549  0.6483154      28.91659 
1 1 1 0   3  58 o 121.015  15.542  131.473    32.082  167.526    50.791  107.540    41.383  135.169 22.298  107.652 22.729  27.51639       31.84021 
1 1 1 0   3  59 f 132.262  14.453  156.347    32.833  181.121    54.130  141.926    41.298  140.262 22.892  124.706 19.614  15.55534       30.14543 
1 1 1 0   3  60 o 131.141  13.508  153.509    30.489  153.431    36.314  153.696    56.126  130.465 16.296  127.749 26.045  2.716469       30.72329 
1 1 1 0   3  61 o 120.515  14.482  130.557    29.864  121.641    36.098  149.897    53.163  115.207 18.577  126.121 25.025  -10.91421      31.16618 
1 1 1 0   3  62 o 191.917  12.898  327.553    42.972  322.684    52.647  337.273    74.381  189.533 16.059  191.199 22.725  -1.666397      27.82662 
1 1 1 0   3  63 o 240.298  11.085  510.126    46.511  462.453    64.546  561.616    67.080  226.662 16.420  250.319 15.423  -23.65697      22.52740 
1 1 1 0   3  64 f 243.343  13.337  528.536    56.451  529.444    68.697  526.647    99.061  242.240 16.337  237.077 24.273  5.162216       29.25859 
1 1 1 0   3  65 o 101.509  19.721  97.081     33.694  97.081     33.694  0.0000     0.0000  101.509 19.721  ?       ?       0.000000       19.72088 
1 1 1 0   3  66 o 94.726   19.638  85.202     31.416  85.202     31.416  0.0000     0.0000  94.726  19.638  ?       ?       0.000000       19.63845 
1 1 1 0   3  67 o 212.254  13.086  405.247    48.262  382.074    57.726  459.057    87.966  204.421 16.309  219.242 23.338  -14.82106      28.47123 
1 1 1 0   3  68 o 101.655  16.203  96.340     27.794  70.151     43.156  114.902    36.333  84.043  26.398  109.704 19.691  -25.66116      32.93304 
1 1 1 0   3  69 o 109.710  15.106  111.495    28.171  90.446     44.977  125.082    36.137  93.953  26.350  114.676 18.692  -20.72236      32.30604 
1 1 1 0   3  70 o 99.234   16.542  93.026     27.653  95.648     43.027  91.181     36.094  96.453  25.252  95.665  22.059  0.7881088      33.52993 
1 1 1 0   3  71 o 88.421   21.714  78.538     33.280  38.979     40.497  160.829    58.409  66.961  25.307  123.087 27.830  -56.12652      37.61597 
1 1 1 0   3  72 o 249.814  11.461  563.492    49.992  584.510    70.135  541.784    71.278  249.970 16.155  239.623 17.149  10.34637       23.56038 
1 1 1 0   3  73 o 88.760   16.287  75.773     24.312  79.940     32.889  70.753     36.100  88.504  21.496  82.194  23.791  6.309334       32.06425 
1 1 1 0   3  74 o 133.712  15.987  170.219    36.584  244.731    64.519  134.910    44.414  152.240 25.150  113.891 23.124  38.34908       34.16441 
1 1 1 0   3  75 o 64.044   26.680  30.539     49.478  0.0000     0.0000  30.539     49.478  ?       ?       64.044  26.680  0.000000       26.68040 
1 1 1 0   3  76 o 78.714   23.720  67.755     35.295  0.0000     0.0000  67.755     35.295  ?       ?       78.714  23.720  0.000000       23.71976 
1 1 1 0   4  0  f 597.285  36.287  3143.30    376.642 0.0000     0.0000  3143.30    376.642 ?       ?       597.285 36.287  0.000000       36.28658 
1 1 1 0   4  1  o 679.853  28.227  4062.51    335.072 0.0000     0.0000  4062.51    335.072 ?       ?       679.853 28.227  0.000000       28.22667 
1 1 1 0   4  2  o 388.697  18.785  1323.00    127.492 0.0000     0.0000  1323.00    127.492 ?       ?       388.697 18.785  0.000000       18.78484 
1 1 1 0   4  3  o 566.131  19.920  2807.65    196.910 2810.96    241.166 2801.03    341.054 565.983 24.403  562.443 34.901  3.540771       42.58604 
1 1 1 0   4  4  o 388.104  15.440  1317.72    104.631 1328.28    128.149 1296.63    181.219 389.458 18.845  383.199 27.262  6.258026       33.14132 
1 1 1 0   4  5  o 663.872  22.521  3864.89    261.053 3804.31    319.722 3986.05    452.162 657.877 27.833  670.193 38.806  -12.31635      47.75523 
1 1 1 0   4  6  o 87.330   13.396  68.232     19.775  68.232     19.775  0.0000     0.0000  87.330  13.396  ?       ?       0.000000       13.39608 
1 1 1 0   4  7  o 903.922  29.359  7189.33    463.376 7123.08    567.513 7321.83    802.603 897.932 36.197  903.780 51.069  -5.848145      62.59587 
1 1 1 0   4  8  o 677.871  22.931  4031.27    271.414 4053.16    332.410 3987.48    470.114 678.893 28.042  669.605 40.398  9.287598       49.17677 
1 1 1 0   4  9  o 1096.45  35.125  10619.25   672.459 10553.15   823.583 10751.46   1164.76 1089.75 43.283  1088.69 61.524  1.057373       75.22412 
1 1 1 0   4  10 o 452.442  16.996  1792.19    134.269 1733.98    164.432 1908.66    232.601 444.688 21.177  464.817 28.801  -20.12918      35.74894 
1 1 1 0   4  11 o 55.132   11.081  27.524     10.297  33.524     12.599  15.456     17.868  60.831  12.285  46.619  16.957  14.21204       20.93910 
1 1 1 0   4  12 o 768.453  25.749  5191.48    345.492 5406.73    423.134 4760.94    598.427 783.014 30.949  728.498 47.302  54.51599       56.52685 
1 1 1 0   4  13 o 424.860  16.269  1580.48    120.693 1484.68    147.798 1772.26    209.104 410.904 20.666  447.992 26.856  -37.08743      33.88668 
1 1 1 0   4  14 o 282.007  13.253  695.725    65.256  694.920    79.916  697.336    113.042 281.223 16.346  280.793 23.266  0.4302368      28.43389 
1 1 1 0   4  15 o 587.107  25.170  3032.91    258.027 3032.91    258.027 0.0000     0.0000  587.107 25.170  ?       ?       0.000000       25.17009 
1 1 1 0   4  16 o 599.275  25.883  3163.08    270.839 3163.08    270.839 0.0000     0.0000  599.275 25.883  ?       ?       0.000000       25.88345 
1 1 1 0   4  17 o 802.136  32.989  5704.77    462.038 5704.77    462.038 0.0000     0.0000  802.136 32.989  ?       ?       0.000000       32.98885 
1 1 1 0   4  18 o 290.637  13.379  739.510    67.897  793.676    83.162  631.218    117.587 300.505 15.906  266.344 25.600  34.16083       30.13877 
1 1 1 0   4  19 o 112.359  9.5223  111.175    18.506  101.334    26.106  121.115    26.237  106.595 14.394  116.892 13.079  -10.29729      19.44888 
1 1 1 0   4  20 o 668.510  23.043  3939.30    268.978 3985.13    329.410 3847.63    465.937 670.820 28.123  652.753 41.090  18.06616       49.79288 
1 1 1 0   4  21 f 647.086  22.461  3691.73    253.780 3784.43    310.798 3506.28    439.610 653.658 27.231  622.526 40.667  31.13202       48.94204 
1 1 1 0   4  22 o 209.930  14.805  388.441    53.921  388.441    53.921  0.0000     0.0000  209.930 14.805  ?       ?       0.000000       14.80515 
1 1 1 0   4  23 o 503.697  22.736  2241.23    199.962 2241.23    199.962 0.0000     0.0000  503.697 22.736  ?       ?       0.000000       22.73601 
1 1 1 0   4  24 o 386.793  19.116  1317.80    129.105 1267.40    182.625 1368.16    182.539 376.450 27.984  391.559 26.861  -15.10873      38.78952 
1 1 1 0   4  25 o 657.547  22.727  3825.26    260.937 3819.17    452.013 3828.31    319.561 646.893 40.217  655.609 27.916  -8.716370      48.95605 
1 1 1 0   4  26 o 339.293  14.534  1010.81    86.104  1013.32    149.471 1009.56    105.339 336.778 25.610  338.123 17.906  -1.345398      31.24937 
1 1 1 0   4  27 o 278.413  11.533  679.244    56.066  690.691    79.393  667.856    79.186  279.763 16.324  275.041 16.566  4.722931       23.25728 
1 1 1 0   4  28 f 413.883  16.318  1506.75    117.924 1682.98    204.204 1418.58    144.444 433.790 27.096  400.155 20.744  33.63480       34.12497 
1 1 1 0   4  29 o 172.703  11.406  262.468    34.202  236.389    59.071  275.620    41.949  162.173 21.382  176.695 13.704  -14.52135      25.39687 
1 1 1 0   4  30 o 369.037  18.644  1202.97    119.744 0.0000     0.0000  1202.97    119.744 ?       ?       369.037 18.644  0.000000       18.64361 
1 1 1 0   4  31 f 166.755  13.613  245.517    39.290  291.814    56.303  201.572    54.853  181.202 18.035  149.570 21.632  31.63127       28.16381 
1 1 1 0   4  32 o 348.179  17.820  1069.21    107.972 1128.36    152.960 1010.47    152.431 356.060 24.757  336.476 26.151  19.58319       36.01076 
1 1 1 0   4  33 o 243.181  15.095  520.878    63.777  573.443    90.670  469.403    89.725  254.277 20.599  229.481 22.690  24.79512       30.64541 
1 1 1 0   4  34 o 372.796  14.807  1218.78    96.384  1248.14    118.117 1160.27    166.744 376.863 17.950  360.993 26.642  15.87000       32.12490 
1 1 1 0   4  35 o 520.612  15.799  2377.79    143.614 2574.93    203.183 2180.96    203.020 540.643 21.524  497.165 23.387  43.47815       31.78396 
1 1 1 0   4  36 o 663.413  19.230  3869.39    222.751 3892.68    315.060 3846.11    314.974 663.091 27.212  659.059 27.371  4.032104       38.59592 
1 1 1 0   4  37 o 209.067  10.370  382.359    37.854  417.339    53.679  347.754    53.390  217.773 14.194  198.538 15.525  19.23521       21.03553 
1 1 1 0   4  38 o 538.076  15.836  2539.37    148.786 2386.35    210.303 2692.72    210.527 520.250 23.151  552.944 21.805  -32.69440      31.80320 
1 1 1 0   4  39 o 197.148  9.7206  339.920    33.462  323.560    46.864  356.936    47.794  191.647 14.104  201.391 13.672  -9.743561      19.64326 
1 1 1 0   4  40 o 30.075   11.861  4.3467     9.1781  2.7844     9.7456  16.601     27.294  29.499  12.018  53.615  20.651  -24.11672      23.89361 
1 1 1 0   4  41 o 578.651  19.293  2944.13    194.928 2752.18    238.619 3329.19    337.964 558.264 24.479  610.844 31.797  -52.58069      40.12811 
1 1 1 0   4  42 o 285.422  12.360  713.370    61.598  718.490    75.096  702.841    107.689 285.839 15.100  281.541 22.083  4.298004       26.75222 
1 1 1 0   4  43 o 222.745  11.520  435.482    44.652  413.285    54.012  483.407    79.363  216.651 14.359  233.589 19.641  -16.93817      24.32993 
1 1 1 0   4  44 o 500.529  16.074  2199.08    140.479 1964.76    171.770 2672.36    244.117 472.246 20.831  549.540 25.441  -77.29385      32.88155 
1 1 1 0   4  45 o 223.703  11.484  439.295    44.704  399.196    54.169  524.927    79.160  212.837 14.666  243.569 18.758  -30.73210      23.81027 
1 1 1 0   4  46 o 315.908  11.546  873.912    63.687  766.123    89.620  983.883    90.522  294.699 17.495  334.791 15.485  -40.09152      23.36376 
1 1 1 0   4  47 o 892.746  24.512  7057.69    382.094 6692.36    540.241 7423.34    540.484 862.410 35.877  909.647 34.029  -47.23718      49.44786 
1 1 1 0   4  48 o 498.163  14.690  2178.31    127.778 1892.15    180.357 2466.69    181.055 462.662 22.326  529.003 19.601  -66.34082      29.70961 
1 1 1 0   4  49 o 144.182  11.363  183.232    28.373  150.326    39.200  219.443    41.121  129.495 17.808  157.348 15.155  -27.85374      23.38363 
1 1 1 0   4  50 o 569.418  17.510  2855.28    174.091 2813.17    246.001 2897.52    246.403 562.680 25.039  571.185 24.706  -8.504639      35.17582 
1 1 1 0   4  51 o 76.690   19.298  53.937     25.820  74.900     42.422  41.601     32.542  90.530  25.661  69.941  23.012  20.58959       34.46789 
1 1 1 0   4  52 o 447.359  17.128  1763.99    133.791 1539.94    231.287 1876.67    164.018 411.815 32.428  460.511 20.398  -48.69604      38.30966 
1 1 1 0   4  53 f 36.098   16.844  -24.7609   26.122  41.068     45.462  -57.2086   31.917  74.306  27.044  34.129  16.625  40.17636       31.74536 
1 1 1 0   4  54 o 220.905  16.076  432.532    61.581  385.213    84.361  486.506    90.099  206.503 23.834  232.772 22.446  -26.26938      32.74008 
1 1 1 0   4  55 o 113.796  14.762  115.970    28.641  102.243    47.460  123.832    35.919  104.682 26.066  116.943 18.181  -12.26080      31.78011 
1 1 1 0   4  56 o 91.835   16.669  76.843     25.745  24.138     41.336  110.243    32.906  64.818  25.288  110.224 17.697  -45.40527      30.86541 
1 1 1 0   4  57 o 389.998  15.330  1344.93    104.394 1045.07    179.418 1498.41    128.359 336.119 30.918  410.704 17.899  -74.58514      35.72513 
1 1 1 0   4  58 o 263.349  11.377  610.328    52.313  595.945    73.459  625.127    74.516  258.645 16.350  264.977 16.183  -6.332520      23.00484 
1 1 1 0   4  59 o 350.843  14.978  1091.60    91.753  1370.27    159.938 954.900    112.020 387.920 23.727  325.710 19.791  62.21048       30.89720 
1 1 1 0   4  60 o 149.607  11.542  198.619    29.918  193.270    42.344  203.951    42.277  146.227 16.896  150.415 16.361  -4.188980      23.51918 
1 1 1 0   4  61 o 217.967  13.351  422.959    50.568  559.448    87.667  354.902    61.905  247.752 20.448  197.954 18.111  49.79826       27.31532 
1 1 1 0   4  62 o 60.368   21.370  29.732     28.165  29.790     40.648  29.678     39.063  65.798  25.237  65.054  24.791  0.7438202      35.37653 
1 1 1 0   4  63 o 83.007   21.145  65.582     30.731  45.683     46.087  81.513     41.238  74.459  27.210  91.795  25.036  -17.33630      36.97556 
1 1 1 0   4  64 o 109.215  20.637  112.907    37.911  107.577    56.832  117.180    50.889  103.564 29.815  108.870 26.921  -5.305832      40.17072 
1 1 1 0   4  65 o 128.249  16.803  151.668    36.723  162.577    50.647  139.576    53.323  129.958 23.170  118.634 26.420  11.32378       35.14030 
1 1 1 0   4  66 o 91.110   24.859  82.475     40.646  82.475     40.646  0.0000     0.0000  91.110  24.859  ?       ?       0.000000       24.85873 
1 1 1 0   4  67 o 125.788  17.376  147.940    37.145  147.940    37.145  0.0000     0.0000  125.788 17.376  ?       ?       0.000000       17.37598 
1 1 1 0   4  68 o 33.420   14.997  -6.9399    18.172  -12.2648   21.283  7.3839     34.907  34.510  15.780  52.118  22.102  -17.60729      27.15677 
1 1 1 0   4  69 o 136.632  12.052  169.430    28.459  170.821    39.897  167.990    40.605  134.529 17.392  133.092 17.929  1.436493       24.97894 
1 1 1 0   4  70 o 134.843  12.137  165.650    28.270  159.946    38.611  172.241    41.505  129.669 17.501  134.207 18.180  -4.537476      25.23438 
1 1 1 0   4  71 o 132.737  12.249  161.188    28.070  131.594    37.858  197.320    41.832  115.959 19.382  144.133 16.945  -28.17406      25.74495 
1 1 1 0   4  72 o 46.117   18.701  11.867     23.467  66.591     40.035  -16.7799   28.966  79.221  25.487  39.228  18.108  39.99268       31.26464 
1 1 1 0   4  73 o 100.695  17.154  98.727     29.079  138.292    51.350  80.050     35.280  112.135 26.624  87.133  22.892  25.00238       35.11215 
1 1 1 0   4  74 f 91.386   18.204  83.352     28.027  137.580    49.435  57.666     34.023  111.625 25.869  73.557  23.478  38.06830       34.93473 
1 1 1 0   4  75 o 32.643   14.782  -7.0125    18.118  -14.5868   24.369  2.3485     27.091  35.654  16.511  43.517  18.969  -7.862877      25.14835 
1 1 1 0   5  1  o 731.500  21.131  4696.52    269.898 4632.34    381.690 4760.71    381.697 724.487 30.173  734.564 29.760  -10.07703      42.37965 
1 1 1 0   5  2  o 318.841  12.054  889.078    67.106  848.237    94.895  929.932    94.909  310.636 17.568  325.392 16.762  -14.75513      24.28116 
1 1 1 0   5  3  o 1092.43  30.055  10533.18   573.291 10697.04   810.755 10369.32   810.758 1095.03 42.403  1077.75 43.083  17.27661       60.45028 
1 1 1 0   5  4  o 72.617   9.2768  46.835     11.494  46.973     13.267  46.421     23.014  72.508  10.809  71.427  18.354  1.080666       21.30027 
1 1 1 0   5  5  o 227.994  10.574  454.456    42.095  446.032    48.602  479.746    84.213  225.473 12.393  232.850 20.937  -7.376495      24.32963 
1 1 1 0   5  6  o 321.954  12.116  906.653    68.108  870.508    78.640  1015.14    136.240 315.355 14.282  339.052 23.152  -23.69659      27.20225 
1 1 1 0   5  7  o 965.269  26.865  8212.22    452.799 8102.46    640.355 8321.98    640.353 954.078 38.439  967.166 37.919  -13.08765      53.99457 
1 1 1 0   5  8  o 197.260  9.8247  340.159    33.839  300.866    47.852  379.464    47.859  184.757 14.962  207.813 13.259  -23.05650      19.99123 
1 1 1 0   5  9  o 273.249  12.816  653.367    61.144  716.112    74.903  528.044    105.858 285.547 15.077  243.565 25.258  41.98181       29.41582 
1 1 1 0   5  10 o 642.931  21.944  3634.68    246.342 3801.33    301.716 3301.45    426.650 656.479 26.322  606.309 40.534  50.17029       48.33090 
1 1 1 0   5  11 o 282.446  13.258  698.400    65.386  706.713    80.088  681.783    113.233 283.466 16.249  277.257 23.615  6.208893       28.66504 
1 1 1 0   5  12 o 504.659  18.241  2235.65    160.733 2369.31    196.871 1968.45    278.359 518.933 21.727  469.157 34.216  49.77573       40.53165 
1 1 1 0   5  13 o 460.027  17.230  1857.10    138.402 1744.92    169.502 2081.51    239.734 445.229 21.804  484.074 28.489  -38.84543      35.87486 
1 1 1 0   5  14 o 249.406  10.842  544.235    47.213  493.938    66.770  594.531    66.769  236.734 16.252  260.022 14.767  -23.28770      21.95880 
1 1 1 0   5  15 o 721.923  24.389  4602.44    307.434 4568.80    376.512 4669.74    532.538 717.160 30.068  717.666 42.690  -0.5060425     52.21617 
1 1 1 0   5  16 o 343.250  14.571  1033.11    87.327  1053.31    106.948 992.677    151.273 345.777 17.774  333.878 26.158  11.89868       31.62484 
1 1 1 0   5  17 o 285.730  13.212  715.490    65.918  708.631    80.722  729.218    114.202 283.604 16.371  286.457 23.027  -2.853241      28.25315 
1 1 1 0   5  18 o 481.008  17.780  2034.78    149.328 1966.56    182.864 2171.33    258.716 471.916 22.192  492.636 30.223  -20.72049      37.49559 
1 1 1 0   5  19 o 265.857  12.669  619.491    58.809  565.355    101.831 646.582    72.037  251.739 23.436  270.941 15.290  -19.20244      27.98256 
1 1 1 0   5  20 o 400.321  19.526  1412.86    136.487 1166.91    193.031 1658.77    193.012 359.924 31.018  431.490 25.735  -71.56625      40.30435 
1 1 1 0   5  21 f 784.659  26.269  5475.48    359.911 5621.44    623.462 5402.53    440.771 779.297 46.023  775.625 32.546  3.672791       56.36813 
1 1 1 0   5  22 o 143.582  10.022  181.363    24.967  200.001    35.487  163.094    35.133  150.352 13.667  135.421 15.116  14.93144       20.37831 
1 1 1 0   5  23 o 341.193  12.487  1020.90    74.394  1015.80    105.243 1025.98    105.174 339.096 17.838  340.818 17.735  -1.721649      25.15359 
1 1 1 0   5  24 o 119.786  11.080  126.781    22.911  126.320    39.437  127.015    28.149  118.060 19.834  119.516 13.739  -1.455986      24.12797 
1 1 1 0   5  25 o 392.756  15.343  1355.91    105.218 1293.28    182.135 1387.28    128.904 379.758 27.658  396.641 18.613  -16.88312      33.33744 
1 1 1 0   5  26 o 237.545  12.581  496.203    51.998  609.875    90.012  439.271    63.703  262.134 19.812  222.861 16.487  39.27296       25.77520 
1 1 1 0   5  27 o 282.930  13.474  702.299    66.562  895.117    115.255 605.809    81.532  317.666 20.896  261.682 17.953  55.98386       27.54870 
1 1 1 0   5  28 o 460.454  16.859  1864.67    135.546 2165.72    235.033 1714.64    165.917 492.549 27.437  440.515 21.571  52.03397       34.90150 
1 1 1 0   5  29 o 158.325  11.349  220.655    31.166  250.736    54.952  206.392    37.840  167.658 19.113  152.702 14.361  14.95601       23.90681 
1 1 1 0   5  30 o 517.048  18.732  2352.74    169.112 2445.81    293.099 2306.29    207.052 522.154 32.307  510.829 23.214  11.32523       39.78176 
1 1 1 0   5  31 o 208.957  11.841  383.548    43.024  441.207    75.196  355.487    52.459  223.074 19.502  200.745 15.076  22.32828       24.64973 
1 1 1 0   5  32 o 475.218  17.242  1983.46    143.068 2266.43    248.186 1842.64    175.087 504.688 28.278  457.192 21.933  47.49573       35.78643 
1 1 1 0   5  33 o 253.638  11.006  562.985    48.744  526.382    69.101  599.237    68.768  244.375 16.288  260.965 15.157  -16.58987      22.24938 
1 1 1 0   5  34 o 642.661  18.494  3629.45    207.529 3609.64    293.456 3649.27    293.524 638.774 26.311  642.316 26.172  -3.541443      37.11084 
1 1 1 0   5  35 o 608.248  17.831  3249.49    189.374 3180.79    267.756 3318.24    267.875 599.883 25.563  612.862 25.033  -12.97919      35.77839 
1 1 1 0   5  36 o 438.904  16.628  1690.63    127.434 1668.94    156.148 1733.90    220.512 435.482 20.535  441.298 28.775  -5.816040      35.35146 
1 1 1 0   5  37 o 269.204  12.617  634.630    59.306  621.043    72.719  661.615    102.483 265.621 15.749  273.226 21.659  -7.604523      26.77975 
1 1 1 0   5  38 o 241.703  12.371  512.886    52.034  513.861    63.809  510.952    89.900  241.591 15.204  239.865 21.700  1.726257       26.49623 
1 1 1 0   5  39 o 237.338  12.377  494.617    51.115  511.531    62.692  461.074    88.286  241.059 14.968  227.580 22.513  13.47908       27.03467 
1 1 1 0   5  40 o 215.184  10.212  405.123    38.369  379.947    53.756  431.268    54.781  207.609 14.929  221.342 14.250  -13.73268      20.63822 
1 1 1 0   5  41 o 307.694  11.533  828.878    61.962  739.038    87.188  920.553    88.073  289.521 17.327  323.889 15.573  -34.36740      23.29679 
1 1 1 0   5  42 o 564.420  18.590  2802.25    183.204 2445.72    224.148 3519.74    317.973 525.866 24.412  629.213 28.942  -103.3466      37.86257 
1 1 1 0   5  43 o 646.009  20.216  3677.22    228.028 3301.32    279.093 4431.99    395.476 610.199 26.195  704.278 32.160  -94.07892      41.47788 
1 1 1 0   5  44 o 435.194  16.533  1664.16    125.629 1570.84    153.624 1852.54    218.275 422.018 20.848  455.785 27.557  -33.76752      34.55455 
1 1 1 0   5  45 o 577.117  20.355  2937.54    205.111 2872.35    251.069 3068.37    355.660 569.119 25.265  583.071 35.098  -13.95166      43.24575 
1 1 1 0   5  46 o 34.865   13.755  5.8763     12.347  6.4657     15.643  4.9022     20.109  38.572  15.398  41.814  17.175  -3.241604      23.06682 
1 1 1 0   5  47 o 160.583  12.973  227.624    36.063  276.445    61.329  201.820    44.587  175.815 20.354  150.463 17.285  25.35225       26.70325 
1 1 1 0   5  48 o 58.946   18.289  30.481     20.786  18.921     31.081  39.834     27.958  57.051  22.020  67.503  21.254  -10.45139      30.60443 
1 1 1 0   5  49 o 125.965  17.267  142.344    36.979  125.279    49.005  164.911    56.353  116.544 24.841  134.091 24.988  -17.54710      35.23480 
1 1 1 0   5  50 o 43.736   18.562  0.6854     24.653  -15.3278   28.878  43.715     47.339  41.463  18.729  76.256  27.621  -34.79350      33.37202 
1 1 1 0   5  51 o 145.935  12.954  188.507    32.666  62.361     43.535  351.014    49.413  83.918  26.534  199.276 14.296  -115.3573      30.14004 
1 1 1 0   5  52 o 188.406  11.517  312.674    37.707  292.875    51.855  334.892    54.931  181.448 16.549  194.163 16.355  -12.71497      23.26707 
1 1 1 0   5  53 o 157.983  11.956  220.486    32.736  221.244    45.119  219.643    47.571  157.391 16.672  156.590 17.710  0.8016815      24.32246 
1 1 1 0   5  54 o 358.716  13.180  1132.84    82.551  1140.86    116.584 1124.77    116.906 358.009 18.715  355.398 18.907  2.610870       26.60330 
1 1 1 0   5  55 o 107.998  15.755  105.275    28.835  99.905     48.290  108.251    35.948  103.087 26.637  108.635 19.676  -5.547890      33.11622 
1 1 1 0   5  56 o 84.432   17.693  65.713     25.249  -11.7513   42.977  106.545    31.202  53.048  23.478  108.261 17.072  -55.21330      29.02909 
1 1 1 0   5  57 o 337.763  14.974  1011.56    88.309  1029.83    152.465 1002.34    108.331 334.592 26.309  334.334 18.631  0.2575989      32.23824 
1 1 1 0   5  58 o 237.762  11.678  498.829    48.480  501.368    68.715  496.312    68.408  236.492 16.749  235.288 16.761  1.203888       23.69500 
1 1 1 0   5  59 o 149.002  13.583  198.556    34.951  201.380    42.822  192.922    60.491  149.167 16.730  142.906 25.162  6.261200       30.21568 
1 1 1 0   5  60 o 169.640  12.864  256.789    37.819  277.553    45.858  212.641    66.868  175.706 15.094  149.032 26.676  26.67357       30.65022 
1 1 1 0   5  61 o 110.756  14.409  111.288    27.205  125.135    31.989  75.096     51.718  117.039 16.078  89.010  28.997  28.02850       33.15582 
1 1 1 0   5  62 o 30.969   13.912  -6.9122    15.681  -17.7036   19.554  12.530     26.247  31.222  14.570  49.714  19.911  -18.49218      24.67258 
1 1 1 0   5  63 o 127.818  12.406  147.012    27.339  171.646    37.661  119.572    39.748  136.906 16.060  112.014 21.097  24.89235       26.51401 
1 1 1 0   5  64 o 149.927  11.685  201.612    30.347  195.779    42.209  207.854    43.663  145.646 16.912  150.098 16.958  -4.452225      23.94971 
1 1 1 0   5  65 o 120.043  12.195  130.327    25.206  122.906    34.262  139.084    37.215  114.398 17.726  121.669 18.066  -7.271149      25.31022 
1 1 1 0   5  66 o 88.121   22.611  77.262     34.962  47.493     52.048  101.738    47.194  74.554  28.567  99.391  26.649  -24.83687      39.06689 
1 1 1 0   5  67 o 117.698  20.126  134.264    39.874  191.238    58.969  86.271     54.122  137.156 25.564  90.359  29.674  46.79641       39.16706 
1 1 1 0   5  68 o 79.884   23.212  64.830     34.303  57.904     51.438  70.378     46.035  77.247  28.657  82.351  27.383  -5.103325      39.63672 
1 1 1 0   5  69 o 102.881  28.569  116.319    53.148  116.319    53.148  0.0000     0.0000  102.881 28.569  ?       ?       0.000000       28.56925 
1 1 1 0   5  70 o 119.845  19.089  140.714    38.605  183.342    56.116  102.410    53.194  132.141 25.242  95.315  29.205  36.82569       38.60130 
1 1 1 0   5  71 o 53.543   20.853  22.054     28.068  19.473     41.897  24.155     37.806  58.282  24.437  58.428  23.721  -0.1460915     34.05653 
1 1 1 0   5  72 o 124.130  19.479  153.960    40.830  216.162    61.745  105.624    54.430  141.020 26.035  94.463  29.642  46.55662       39.45207 
1 1 1 0   5  73 o 50.109   17.419  23.204     18.658  51.459     25.425  -9.7642    27.464  70.539  19.821  39.656  18.052  30.88311       26.80946 
1 1 1 0   5  74 f 108.337  13.594  111.434    25.149  91.775     35.283  131.736    35.855  92.255  22.177  114.184 18.626  -21.92912      28.96158 
1 1 1 0   6  0  o 470.708  21.395  1943.45    175.846 1869.87    248.672 2017.04    248.697 459.480 31.180  477.550 29.978  -18.06985      43.25331 
1 1 1 0   6  1  o 477.349  15.244  1998.84    127.056 2156.89    179.691 1840.81    179.677 494.849 20.797  456.806 22.527  38.04306       30.65866 
1 1 1 0   6  2  o 159.355  11.261  223.385    31.131  225.818    38.128  218.517    53.921  159.928 13.789  156.277 20.236  3.650726       24.48709 
1 1 1 0   6  3  o 344.801  14.534  1042.52    87.500  1048.33    107.163 1030.89    151.562 344.922 17.855  340.359 25.692  4.563110       31.28715 
1 1 1 0   6  4  o 378.587  15.304  1257.52    101.167 1257.52    101.167 0.0000     0.0000  378.587 15.304  ?       ?       0.000000       15.30419 
1 1 1 0   6  5  o 736.234  24.370  4792.84    313.286 4792.84    313.286 0.0000     0.0000  736.234 24.370  ?       ?       0.000000       24.37037 
1 1 1 0   6  6  o 217.465  14.185  416.433    53.565  416.433    53.565  0.0000     0.0000  217.465 14.185  ?       ?       0.000000       14.18465 
1 1 1 0   6  7  o 595.204  25.388  3137.98    263.851 3137.98    263.851 0.0000     0.0000  595.204 25.388  ?       ?       0.000000       25.38811 
1 1 1 0   6  8  o 591.867  20.533  3088.17    212.197 3197.37    259.889 2869.76    367.533 600.920 24.769  563.056 37.600  37.86401       45.02499 
1 1 1 0   6  9  o 166.647  9.7609  243.834    28.278  264.026    40.008  223.674    39.975  173.027 13.346  159.004 14.560  14.02203       19.75109 
1 1 1 0   6  10 o 317.865  13.907  886.295    77.186  840.469    94.522  978.009    133.720 308.606 17.615  331.723 23.233  -23.11734      29.15560 
1 1 1 0   6  11 f 1036.33  33.660  9645.90    609.086 9681.82    745.969 9574.07    1054.98 1030.85 41.444  1000.16 60.698  30.70007       73.49725 
1 1 1 0   6  12 o 573.779  20.130  2904.65    201.670 2800.80    246.980 3112.44    349.343 561.769 25.179  587.261 34.217  -25.49182      42.48303 
1 1 1 0   6  13 o 153.972  11.296  208.792    30.158  167.609    52.191  229.436    36.951  135.836 22.813  161.194 13.246  -25.35777      26.37990 
1 1 1 0   6  14 o 327.768  13.645  942.776    78.089  1062.34    135.288 883.040    95.627  345.694 22.536  316.241 17.385  29.45313       28.46264 
1 1 1 0   6  15 o 185.225  14.290  303.035    45.858  286.309    64.778  319.839    64.928  178.750 21.166  189.316 19.942  -10.56644      29.08011 
1 1 1 0   6  16 o 159.076  11.522  222.932    31.787  184.019    55.140  242.300    38.901  142.368 22.963  165.601 13.573  -23.23262      26.67404 
1 1 1 0   6  17 o 502.836  15.538  2223.38    136.426 2383.65    192.977 2063.24    192.894 519.013 21.294  482.366 22.902  36.64706       31.27243 
1 1 1 0   6  18 o 278.935  11.358  681.913    55.318  711.356    78.314  652.592    78.150  283.937 15.860  271.790 16.547  12.14716       22.91984 
1 1 1 0   6  19 o 434.733  20.580  1671.16    156.221 1846.68    220.914 1495.60    220.946 453.744 28.021  406.781 31.349  46.96295       42.04668 
1 1 1 0   6  20 o 336.064  14.306  992.057    83.947  1146.76    145.438 914.767    102.800 358.780 23.343  321.560 18.386  37.22055       29.71398 
1 1 1 0   6  21 o 182.591  11.486  293.333    36.431  343.534    63.166  268.311    44.596  196.514 18.631  174.132 14.808  22.38222       23.79937 
1 1 1 0   6  22 o 465.099  21.374  1912.96    173.581 2036.85    245.493 1789.09    245.467 476.266 29.668  445.333 31.776  30.93259       43.47333 
1 1 1 0   6  23 o 316.826  13.984  881.050    77.361  871.093    94.797  900.902    133.852 314.111 17.351  317.781 24.308  -3.669800      29.86518 
1 1 1 0   6  24 o 425.617  14.213  1589.93    105.626 1641.06    149.412 1538.85    149.343 431.323 19.839  417.534 20.485  13.78931       28.51689 
1 1 1 0   6  25 o 183.946  11.757  297.622    37.564  298.047    65.684  297.416    45.791  182.602 20.982  183.538 14.404  -0.9357910     25.45064 
1 1 1 0   6  26 o 216.013  14.275  411.082    53.537  491.709    76.160  332.323    75.272  235.641 18.663  192.633 22.823  43.00809       29.48200 
1 1 1 0   6  27 o 376.886  14.956  1246.19    98.419  1389.41    170.796 1174.99    120.422 395.504 24.859  364.940 18.964  30.56488       31.26619 
1 1 1 0   6  28 o 495.097  22.035  2161.94    190.486 2264.73    269.600 2059.47    269.177 503.409 30.820  479.406 32.346  24.00275       44.67802 
1 1 1 0   6  29 o 906.358  29.804  7302.84    471.666 7680.19    817.081 7114.26    577.624 912.156 51.513  890.161 37.163  21.99506       63.51891 
1 1 1 0   6  30 o 155.025  14.524  212.531    38.857  196.795    55.677  227.472    54.254  147.805 22.265  159.575 19.904  -11.76968      29.86463 
1 1 1 0   6  31 o 426.898  14.226  1597.46    106.043 1596.56    149.904 1598.36    150.031 425.917 20.157  426.157 20.163  -0.2399292     28.51034 
1 1 1 0   6  32 o 484.329  17.348  2060.12    146.706 2149.24    179.725 1882.19    253.967 494.046 20.834  458.673 31.910  35.37311       38.10918 
1 1 1 0   6  33 o 79.816   13.138  57.266     17.673  57.237     21.951  57.320     29.797  79.314  16.392  79.300  21.136  0.1351929E-01  26.74759 
1 1 1 0   6  34 o 454.882  16.683  1816.55    132.502 1864.29    162.326 1721.24    229.375 460.224 20.200  439.072 30.101  21.15237       36.25053 
1 1 1 0   6  35 o 157.219  11.398  217.497    31.076  196.844    38.100  258.549    53.716  149.095 14.832  170.544 18.326  -21.44888      23.57608 
1 1 1 0   6  36 o 1002.54  26.548  8904.01    464.728 8034.12    657.159 9774.27    657.292 943.749 39.880  1044.02 36.057  -100.2682      53.76321 
1 1 1 0   6  37 o 297.392  11.547  774.341    59.961  722.867    84.685  826.088    84.910  286.364 17.013  306.367 15.928  -20.00278      23.30533 
1 1 1 0   6  38 o 699.025  20.134  4304.02    245.740 4510.44    347.575 4097.71    347.481 712.684 27.931  678.711 29.321  33.97382       40.49556 
1 1 1 0   6  39 o 123.138  11.965  134.050    25.401  170.770    43.435  114.965    31.313  138.129 18.472  113.274 16.302  24.85568       24.63617 
1 1 1 0   6  40 o 225.810  10.875  446.398    42.878  432.942    60.511  459.967    60.766  221.496 15.749  228.400 15.326  -6.903717      21.97505 
1 1 1 0   6  41 o 295.387  13.859  765.317    71.479  792.456    87.309  710.156    124.474 299.800 16.746  281.870 25.569  17.92984       30.56478 
1 1 1 0   6  42 o 535.459  23.874  2539.31    223.207 2539.31    223.207 0.0000     0.0000  535.459 23.874  ?       ?       0.000000       23.87369 
1 1 1 0   6  43 o 435.236  16.786  1666.16    127.566 1643.64    156.041 1711.55    221.506 431.448 20.713  436.944 29.201  -5.495605      35.80176 
1 1 1 0   6  44 o 325.075  17.107  932.609    96.760  809.656    135.832 1059.28    137.869 300.611 26.138  345.055 23.015  -44.44345      34.82690 
1 1 1 0   6  45 o 249.534  22.991  556.522    99.048  556.522    99.048  0.0000     0.0000  249.534 22.991  ?       ?       0.000000       22.99149 
1 1 1 0   6  46 o 309.551  13.854  841.590    74.880  709.541    128.359 909.711    92.193  280.851 26.488  321.022 16.503  -40.17026      31.20835 
1 1 1 0   6  47 o 292.719  13.893  752.886    71.006  668.744    122.027 795.961    87.310  272.564 25.954  300.091 16.729  -27.52689      30.87831 
1 1 1 0   6  48 o 364.269  13.413  1165.93    85.309  1140.21    120.152 1192.08    121.146 358.512 19.265  366.681 18.987  -8.168640      27.04841 
1 1 1 0   6  49 o 47.042   17.614  14.674     19.521  -29.8554   26.759  65.336     28.542  35.316  16.658  84.218  19.751  -48.90256      25.83802 
1 1 1 0   6  50 o 346.706  12.729  1056.65    77.058  984.648    108.605 1129.65    109.351 332.851 18.763  357.391 17.523  -24.54028      25.67354 
1 1 1 0   6  51 o 471.397  14.999  1960.36    123.452 1801.81    174.156 2120.48    175.022 449.164 22.206  488.061 20.538  -38.89645      30.24751 
1 1 1 0   6  52 o 243.561  11.183  521.248    47.559  492.979    66.777  550.347    67.751  235.467 16.343  249.029 15.661  -13.56177      22.63531 
1 1 1 0   6  53 o 203.380  11.160  364.789    39.481  387.702    56.376  342.735    55.308  208.715 15.582  195.987 16.310  12.72813       22.55683 
1 1 1 0   6  54 o 179.603  11.251  285.023    35.105  281.250    50.195  288.634    49.113  177.223 16.407  179.710 15.813  -2.487061      22.78696 
1 1 1 0   6  55 o 167.420  13.025  249.192    37.777  258.052    65.707  244.818    46.172  167.290 23.112  165.122 16.224  2.167831       28.23763 
1 1 1 0   6  56 o 60.569   20.523  31.139     25.854  -6.4050    36.811  67.689     36.320  50.121  21.972  84.809  23.641  -34.68801      32.27514 
1 1 1 0   6  57 o 171.960  16.119  266.524    47.833  241.675    68.510  290.158    66.815  160.056 25.360  177.161 22.078  -17.10562      33.62408 
1 1 1 0   6  58 o 41.502   16.692  7.6467     18.532  -9.1352    23.811  33.433     29.515  38.539  17.240  63.006  21.908  -24.46709      27.87778 
1 1 1 0   6  59 o 57.920   16.673  30.965     17.773  39.796     26.269  23.509     24.136  65.884  20.579  54.677  19.735  11.20722       28.51282 
1 1 1 0   6  60 o 136.183  11.859  166.053    27.918  163.738    39.841  168.288    39.133  133.297 17.544  135.405 16.921  -2.107391      24.37461 
1 1 1 0   6  61 o 38.860   15.511  7.4387     15.871  7.4601     22.824  7.4187     22.085  44.578  18.302  43.989  18.026  0.5890427      25.68844 
1 1 1 0   6  62 o 50.898   17.335  22.324     18.446  22.495     25.974  22.149     26.201  54.488  20.334  54.403  20.399  0.8490753E-01  28.80290 
1 1 1 0   6  63 o 44.086   16.566  13.897     17.296  19.417     25.326  9.0717     23.678  52.235  19.948  45.745  18.695  6.489231       27.33912 
1 1 1 0   6  64 o 81.305   15.732  62.354     21.526  77.813     30.417  46.842     30.469  89.364  19.994  69.742  22.213  19.62138       29.88597 
1 1 1 0   6  65 o 47.944   17.186  18.964     18.270  35.911     25.166  0.0791     26.566  61.791  20.232  43.558  18.886  18.23236       27.67727 
1 1 1 0   6  66 o 68.541   21.474  46.210     28.580  55.105     41.574  38.239     39.353  74.586  25.998  66.195  24.964  8.391029       36.04271 
1 1 1 0   6  67 o 70.529   25.315  48.356     39.653  0.0000     0.0000  48.356     39.653  ?       ?       70.529  25.315  0.000000       25.31465 
1 1 1 0   6  68 o 72.520   21.673  53.609     29.556  44.957     42.445  61.753     41.180  68.925  25.940  76.735  25.902  -7.810143      36.65776 
1 1 1 0   6  69 o 34.813   16.172  -16.4412   23.651  -23.0733   37.100  -11.9009   30.697  43.179  20.124  41.764  19.040  1.415302       27.70321 
1 1 1 0   6  70 o 75.374   16.282  55.767     20.803  51.230     28.952  60.610     29.910  70.243  21.550  76.106  21.538  -5.862587      30.46769 
1 1 1 0   6  71 o 67.680   19.948  47.334     25.174  39.902     49.681  49.902     29.201  66.470  27.113  68.908  21.725  -2.438202      34.74296 
1 1 1 0   6  72 o 30.766   14.534  -19.0916   20.505  6.0470     40.942  -27.5089   23.691  52.006  22.972  31.452  15.070  20.55426       27.47382 
1 1 1 0   7  1  o 186.678  11.672  306.714    37.854  323.183    46.358  273.758    65.577  191.318 13.974  174.448 22.020  16.86993       26.07934 
1 1 1 0   7  2  o 64.865   11.048  37.895     12.065  43.523     14.775  26.632     20.901  69.364  12.666  56.134  18.441  13.22977       22.37154 
1 1 1 0   7  3  o 601.059  20.915  3197.24    219.506 3305.38    268.839 2980.98    380.194 609.247 25.272  570.198 38.411  39.04889       45.97887 
1 1 1 0   7  4  o 256.099  12.732  575.509    56.932  586.726    69.726  553.072    98.614  257.801 15.563  248.636 22.975  9.165070       27.74945 
1 1 1 0   7  5  f 247.752  12.641  539.955    54.503  554.194    66.747  511.465    94.416  250.566 15.330  239.036 22.902  11.52919       27.55895 
1 1 1 0   7  6  o 188.730  11.627  313.465    38.130  306.266    46.686  327.887    66.079  186.131 14.479  191.579 20.051  -5.448303      24.73205 
1 1 1 0   7  7  o 188.957  11.652  314.230    38.256  343.021    46.856  256.667    66.254  197.166 13.695  168.552 23.121  28.61378       26.87282 
1 1 1 0   7  8  o 187.821  14.393  311.783    46.842  324.143    66.252  299.428    66.238  190.423 20.236  182.736 21.151  7.687225       29.27188 
1 1 1 0   7  9  o 124.807  13.557  138.368    29.070  149.471    41.170  127.329    41.051  128.806 18.865  118.323 20.619  10.48338       27.94704 
1 1 1 0   7  10 o 179.213  14.285  283.962    44.329  289.307    62.690  278.616    62.691  179.766 20.330  176.278 20.766  3.487808       29.06084 
1 1 1 0   7  11 o 833.916  26.975  6210.12    392.771 7437.42    680.414 5596.79    481.004 896.749 43.455  785.628 35.065  111.1208       55.83787 
1 1 1 0   7  12 o 291.326  13.065  744.889    66.457  859.198    115.384 688.144    81.296  310.801 21.392  279.045 16.763  31.75613       27.17756 
1 1 1 0   7  13 o 527.038  18.663  2450.74    171.746 2800.44    297.633 2276.17    210.289 557.656 30.685  506.264 23.789  51.39227       38.82634 
1 1 1 0   7  14 o 244.725  15.526  528.700    66.000  0.0000     0.0000  528.700    66.000  ?       ?       244.725 15.526  0.000000       15.52595 
1 1 1 0   7  15 o 224.967  14.622  446.453    57.126  0.0000     0.0000  446.453    57.126  ?       ?       224.967 14.622  0.000000       14.62235 
1 1 1 0   7  16 o 319.839  17.172  903.133    95.548  0.0000     0.0000  903.133    95.548  ?       ?       319.839 17.172  0.000000       17.17201 
1 1 1 0   7  17 o 189.660  14.596  317.740    47.966  0.0000     0.0000  317.740    47.966  ?       ?       189.660 14.596  0.000000       14.59631 
1 1 1 0   7  18 o 23.837   9.4926  2.4887     5.9316  -8.9696    13.881  5.0485     6.5608  28.130  12.816  27.527  10.230  0.6027184      16.39840 
1 1 1 0   7  19 o 409.056  15.626  1470.02    111.606 1699.94    193.609 1355.59    136.583 436.917 25.489  391.528 20.046  45.38913       32.42737 
1 1 1 0   7  20 o 232.426  12.079  474.579    48.851  544.596    85.097  440.164    59.661  247.799 19.834  223.371 15.391  24.42766       25.10491 
1 1 1 0   7  21 o 389.228  14.849  1329.44    100.918 1649.18    175.101 1170.40    123.491 431.292 23.339  364.026 19.499  67.26563       30.41245 
1 1 1 0   7  22 o 318.221  13.895  887.909    77.205  964.867    134.067 849.724    94.435  329.613 23.447  310.429 17.494  19.18451       29.25432 
1 1 1 0   7  23 o 346.576  17.919  1058.77    108.068 1109.03    152.993 1008.73    152.669 353.166 24.971  336.428 26.196  16.73816       36.19098 
1 1 1 0   7  24 f 500.251  17.969  2199.89    156.954 2480.79    272.080 2059.79    192.147 527.327 29.670  483.054 22.781  44.27359       37.40733 
1 1 1 0   7  25 o 463.102  17.277  1884.12    139.704 2028.56    242.224 1812.12    171.013 476.913 29.229  453.369 21.603  23.54407       36.34602 
1 1 1 0   7  26 o 204.642  10.204  366.408    36.460  395.730    51.424  336.769    51.701  212.017 13.969  195.340 15.280  16.67728       20.70301 
1 1 1 0   7  27 f 458.827  14.665  1846.13    117.485 1870.15    166.087 1822.08    166.212 460.798 20.643  454.781 20.931  6.017639       29.39787 
1 1 1 0   7  28 o 407.064  15.782  1454.09    112.175 1467.76    137.461 1426.83    194.082 408.458 19.274  400.116 27.956  8.342682       33.95608 
1 1 1 0   7  29 o 45.851   13.009  18.879     10.897  3.9870     12.965  54.726     20.115  34.192  13.888  77.637  15.382  -43.44574      20.72373 
1 1 1 0   7  30 o 353.994  14.725  1099.03    91.013  1090.09    111.460 1116.90    157.661 351.667 18.214  354.333 25.657  -2.666260      31.46472 
1 1 1 0   7  31 o 442.440  16.456  1718.94    127.128 1663.99    155.680 1828.91    220.246 434.615 20.515  453.086 27.977  -18.47101      34.69210 
1 1 1 0   7  32 o 1050.03  28.475  9796.94    522.071 8763.84    738.250 10830.44   738.391 982.165 43.048  1096.06 38.582  -113.8948      57.80794 
1 1 1 0   7  33 o 125.369  10.961  138.633    23.754  144.209    33.197  132.782    34.003  127.297 15.238  121.884 16.393  5.412369       22.38193 
1 1 1 0   7  34 o 329.427  12.289  950.727    70.688  928.007    99.960  973.455    99.977  324.391 17.715  332.339 17.289  -7.948822      24.75305 
1 1 1 0   7  35 o 214.402  10.146  402.294    37.983  437.608    53.884  367.417    53.550  222.950 13.911  204.043 15.138  18.90685       20.55950 
1 1 1 0   7  36 o 175.303  9.9120  269.787    30.215  275.695    43.002  264.026    42.465  176.731 14.051  172.908 14.191  3.823334       19.97027 
1 1 1 0   7  37 o 436.298  14.384  1670.52    109.580 1583.92    154.766 1757.57    155.174 423.620 20.924  446.468 19.905  -22.84790      28.87931 
1 1 1 0   7  38 o 324.173  12.278  921.055    69.498  908.255    97.893  934.062    98.682  320.794 17.543  325.354 17.434  -4.560333      24.73302 
1 1 1 0   7  39 o 197.271  10.609  341.761    36.408  330.069    50.970  353.942    52.025  193.246 15.229  200.190 14.992  -6.944000      21.37051 
1 1 1 0   7  40 o 477.465  21.724  2016.82    181.114 1859.43    255.929 2174.72    256.339 453.714 32.521  492.047 29.979  -38.33334      44.23100 
1 1 1 0   7  41 o 183.066  15.499  296.726    49.075  308.914    68.923  284.193    69.893  185.612 21.675  177.610 23.083  8.001846       31.66429 
1 1 1 0   7  42 f 506.535  22.761  2276.26    201.313 2192.40    284.354 2360.52    285.047 491.659 33.320  510.906 32.117  -19.24725      46.27840 
1 1 1 0   7  43 o 376.972  19.264  1259.03    126.374 1397.19    178.608 1120.51    178.831 394.839 26.054  352.158 29.351  42.68066       39.24596 
1 1 1 0   7  44 o 67.448   17.166  41.663     20.267  43.161     28.024  40.021     29.346  69.584  21.173  67.933  21.817  1.650375       30.40257 
1 1 1 0   7  45 o 624.178  18.795  3446.50    204.842 3326.09    289.488 3567.24    289.893 608.808 27.232  631.062 26.309  -22.25421      37.86509 
1 1 1 0   7  46 o ?        ?       -123.7871  9.5228  -127.2059  10.794  -111.7784  20.229  ?       ?       ?       ?       0.000000       ?        
1 1 1 0   7  47 o 107.480  12.684  102.944    23.345  127.619    32.250  75.779     33.837  119.231 15.886  90.469  21.700  28.76256       26.89334 
1 1 1 0   7  48 o 423.522  14.375  1581.48    106.304 1478.62    150.112 1684.96    150.561 406.659 21.214  435.242 19.812  -28.58310      29.02675 
1 1 1 0   7  49 o 366.767  13.250  1185.25    84.854  1127.18    119.719 1243.87    120.286 355.329 19.369  374.136 18.413  -18.80624      26.72461 
1 1 1 0   7  50 o 19.812   9.6023  -17.2664   10.294  -8.4862    12.302  -37.7744   18.801  26.175  11.979  25.295  12.413  0.8802261      17.25044 
1 1 1 0   7  51 o 220.097  10.900  426.214    41.889  400.670    58.563  452.973    59.940  211.902 15.945  225.561 15.310  -13.65977      22.10488 
1 1 1 0   7  52 o 245.055  13.245  532.510    56.464  525.044    68.837  547.862    98.713  242.346 16.364  244.663 23.392  -2.317215      28.54750 
1 1 1 0   7  53 o 113.505  13.697  115.777    26.597  112.899    32.458  121.658    46.404  111.148 17.286  113.409 24.173  -2.260704      29.71744 
1 1 1 0   7  54 o 128.320  16.367  149.476    35.835  95.213     50.255  205.609    51.113  99.370  27.847  149.533 20.084  -50.16277      34.33439 
1 1 1 0   7  55 o 246.434  16.403  547.037    70.179  534.693    98.117  559.966    100.418 239.656 23.760  245.310 23.741  -5.654510      33.58866 
1 1 1 0   7  56 o 226.424  12.759  457.279    50.240  331.690    85.628  523.205    62.040  185.763 27.206  241.384 14.791  -55.62094      30.96653 
1 1 1 0   7  57 o 63.218   17.301  37.399     19.653  35.221     31.083  38.850     25.367  64.214  22.474  64.941  20.213  -0.7271423     30.22620 
1 1 1 0   7  58 o 39.716   15.712  8.3512     16.152  12.018     22.399  4.3784     23.314  46.696  18.494  43.488  18.231  3.208714       25.96885 
1 1 1 0   7  59 o 208.686  11.391  389.080    41.348  401.679    58.540  376.537    58.410  209.697 16.111  202.689 16.651  7.007523       23.16992 
1 1 1 0   7  60 o 140.239  11.758  176.996    28.525  194.671    40.507  159.610    40.175  145.225 16.253  130.485 18.123  14.74007       24.34333 
1 1 1 0   7  61 o 35.686   15.124  1.7192     16.328  19.894     23.474  -15.3164   22.726  51.402  19.302  34.900  16.085  16.50113       25.12553 
1 1 1 0   7  62 o 107.591  12.882  105.969    23.720  109.500    34.310  102.737    32.828  106.610 19.135  103.307 18.896  3.303459       26.89205 
1 1 1 0   7  63 o 104.754  15.304  102.818    27.166  86.203     49.094  110.150    32.614  89.994  28.137  107.127 18.079  -17.13318      33.44474 
1 1 1 0   7  64 f 28.446   13.332  -15.3103   16.667  -2.2430    32.139  -20.1175   19.493  46.315  20.410  29.962  14.159  16.35286       24.84052 
1 1 1 0   7  65 o 90.215   17.022  78.791     25.830  89.076     46.107  74.088     31.182  90.378  27.083  85.416  21.045  4.961121       34.29794 
1 1 1 0   7  66 o 114.025  18.726  127.839    35.988  168.464    52.307  91.320     49.593  126.496 24.568  90.044  28.300  36.45183       37.47632 
1 1 1 0   7  67 o 99.091   16.203  94.906     27.065  90.376     33.797  103.005    45.189  93.601  21.174  96.339  26.180  -2.738113      33.67138 
1 1 1 0   7  68 o 80.438   18.168  65.128     24.914  58.501     31.211  76.767     41.361  74.239  22.291  82.753  25.819  -8.514015      34.10973 
1 1 1 0   7  69 o 130.503  14.053  161.514    31.518  168.812    38.830  147.421    53.963  130.778 17.439  112.488 27.666  18.28992       32.70377 
1 1 1 0   7  70 o 96.040   13.698  88.223     22.320  93.962     30.953  82.007     32.215  95.375  19.250  87.399  21.304  7.975952       28.71280 
1 1 1 0   8  0  o 225.270  21.541  449.955    83.696  449.955    83.696  0.0000     0.0000  225.270 21.541  ?       ?       0.000000       21.54099 
1 1 1 0   8  1  o 237.906  15.324  499.453    63.317  499.453    63.317  0.0000     0.0000  237.906 15.324  ?       ?       0.000000       15.32393 
1 1 1 0   8  2  o 443.701  16.887  1732.67    130.829 1798.65    226.604 1699.68    160.231 447.649 29.150  438.515 20.927  9.134338       35.88399 
1 1 1 0   8  3  o 315.047  13.620  871.077    74.924  1029.84    129.950 792.021    91.700  340.456 21.978  299.380 17.620  41.07562       28.16867 
1 1 1 0   8  4  o 148.916  13.762  196.265    35.379  212.128    50.205  180.616    49.864  153.953 19.086  141.527 20.799  12.42595       28.22842 
1 1 1 0   8  5  o 470.475  21.355  1956.83    175.429 2112.68    248.158 1801.13    248.031 485.319 29.424  446.874 31.999  38.44550       43.47071 
1 1 1 0   8  6  o 310.266  11.851  843.647    64.201  842.505    74.141  847.071    128.356 309.856 13.704  308.178 24.044  1.678436       27.67477 
1 1 1 0   8  7  o 346.007  14.655  1051.25    88.538  1082.92    108.441 987.925    153.340 350.265 17.789  332.223 26.659  18.04187       32.04912 
1 1 1 0   8  8  o 382.218  15.180  1283.15    101.307 1327.29    124.085 1194.93    175.442 388.205 18.306  365.303 27.712  22.90164       33.21238 
1 1 1 0   8  9  o 448.986  17.046  1773.07    133.638 1662.72    163.657 1993.92    231.514 433.816 21.606  472.309 28.202  -38.49350      35.52654 
1 1 1 0   8  10 o 134.039  10.939  158.364    25.379  164.829    31.098  145.474    43.914  136.474 13.216  126.851 20.528  9.623283       24.41411 
1 1 1 0   8  11 o 377.695  15.118  1252.40    99.698  1268.83    122.090 1219.51    172.722 379.654 18.418  369.537 26.955  10.11661       32.64586 
1 1 1 0   8  12 o 278.900  12.991  681.842    63.266  709.971    77.543  625.841    109.413 283.906 15.704  264.899 23.913  19.00702       28.60822 
1 1 1 0   8  13 o 83.594   9.8952  61.999     14.163  58.870     20.451  64.882     19.633  80.613  15.084  84.960  13.701  -4.347542      20.37709 
1 1 1 0   8  14 o 802.133  22.085  5680.66    309.318 6342.97    437.500 5018.71    437.383 843.809 29.694  748.557 33.464  95.25214       44.73881 
1 1 1 0   8  15 o 380.655  13.041  1269.94    86.676  1391.57    122.668 1148.65    122.489 397.826 17.659  360.641 19.524  37.18442       26.32594 
1 1 1 0   8  16 o 402.848  13.531  1422.68    95.179  1506.99    134.667 1338.53    134.539 413.850 18.636  389.337 19.857  24.51346       27.23214 
1 1 1 0   8  17 o 311.425  11.662  849.283    63.413  880.429    89.760  818.247    89.601  316.215 16.312  304.716 16.907  11.49908       23.49331 
1 1 1 0   8  18 o 354.729  12.488  1102.34    77.347  1219.11    109.504 986.073    109.267 372.523 16.835  334.260 18.798  38.26306       25.23445 
1 1 1 0   8  19 o 93.997   9.8068  78.135     15.858  89.186     22.781  67.746     22.089  99.997  13.383  86.626  15.156  13.37156       20.21902 
1 1 1 0   8  20 o 458.023  14.698  1840.15    117.544 1983.68    166.304 1696.87    166.161 474.588 20.069  438.616 21.696  35.97159       29.55469 
1 1 1 0   8  21 o 449.401  14.520  1771.31    113.936 1836.77    161.104 1705.81    161.155 456.652 20.205  439.919 20.980  16.73312       29.12739 
1 1 1 0   8  22 o 241.094  10.795  508.760    45.442  561.136    64.311  456.535    64.218  252.511 14.649  227.445 16.278  25.06647       21.89900 
1 1 1 0   8  23 o 333.619  13.842  975.810    80.635  1062.19    98.855  804.072    139.389 347.793 16.279  299.953 26.900  47.84003       31.44209 
1 1 1 0   8  24 o 218.406  12.524  419.261    47.563  391.954    58.291  473.655    82.271  210.695 15.963  230.942 20.619  -20.24696      26.07639 
1 1 1 0   8  25 o 624.137  21.452  3436.19    233.782 3385.21    286.330 3538.14    404.904 617.807 26.543  625.899 37.217  -8.092407      45.71297 
1 1 1 0   8  26 o 91.515   11.921  74.583     18.596  72.749     22.958  78.083     31.713  89.831  15.177  92.374  20.223  -2.542366      25.28447 
1 1 1 0   8  27 o 236.764  12.832  492.710    52.852  418.824    64.753  640.183    91.481  217.615 17.181  268.889 19.620  -51.27397      26.07955 
1 1 1 0   8  28 o 297.952  12.023  777.713    62.550  757.336    88.520  798.034    88.398  292.972 17.382  300.852 16.896  -7.880188      24.24073 
1 1 1 0   8  29 o 462.721  14.994  1879.47    121.146 1896.97    171.344 1861.97    171.308 463.623 21.166  459.280 21.362  4.342499       30.07214 
1 1 1 0   8  30 o 224.649  12.371  443.599    48.340  394.318    83.547  468.398    59.267  209.903 23.182  230.534 14.802  -20.63126      27.50502 
1 1 1 0   8  31 o 726.283  21.109  4657.37    267.691 4865.97    378.555 4448.73    378.589 738.514 29.357  705.414 30.737  33.09985       42.50385 
1 1 1 0   8  32 o 778.615  22.501  5362.89    305.911 5155.26    432.530 5570.69    432.716 757.910 32.684  788.669 31.423  -30.75873      45.33918 
1 1 1 0   8  33 o 126.284  10.574  140.620    23.100  109.013    31.918  175.388    33.475  110.027 17.175  140.710 13.803  -30.68338      22.03387 
1 1 1 0   8  34 o 223.427  10.738  437.219    41.889  392.652    58.847  482.996    59.642  210.709 16.117  234.057 14.668  -23.34807      21.79231 
1 1 1 0   8  35 o 195.047  10.497  334.147    35.617  298.847    49.909  370.783    50.844  183.703 15.711  204.989 14.295  -21.28587      21.24056 
1 1 1 0   8  36 o 148.223  10.448  193.382    26.866  138.368    37.421  251.904    38.595  124.081 17.780  168.916 13.190  -44.83556      22.13872 
1 1 1 0   8  37 o 313.188  17.485  867.175    95.236  853.713    134.003 880.914    135.375 308.714 25.076  313.673 24.923  -4.958374      35.35474 
1 1 1 0   8  38 o 250.424  16.560  554.795    72.002  616.884    101.228 491.216    102.436 262.784 22.271  233.404 25.552  29.37909       33.89594 
1 1 1 0   8  39 o 63.233   20.349  34.521     25.520  57.490     33.440  2.4813     39.493  79.509  22.864  55.629  23.545  23.88060       32.82026 
1 1 1 0   8  40 o 338.345  14.525  1007.17    85.808  957.315    104.441 1110.71    150.520 328.642 18.273  351.978 24.647  -23.33597      30.68180 
1 1 1 0   8  41 o 503.409  18.493  2241.94    162.548 2018.10    198.939 2691.56    281.943 474.887 24.071  545.206 29.729  -70.31891      38.25198 
1 1 1 0   8  42 o 507.640  17.618  2278.86    156.163 2225.09    268.784 2306.27    191.869 493.987 31.324  509.059 21.586  -15.07169      38.04150 
1 1 1 0   8  43 o 589.826  20.563  3094.73    211.777 2644.97    365.433 3322.16    259.863 530.829 39.714  608.783 24.447  -77.95435      46.63561 
1 1 1 0   8  44 o 75.628   18.497  52.751     24.223  27.822     38.347  69.304     31.247  64.914  24.604  86.496  20.918  -21.58165      32.29456 
1 1 1 0   8  45 o 36.741   15.034  4.2310     15.335  3.2019     19.338  5.9746     25.171  40.047  16.681  46.424  19.159  -6.376732      25.40319 
1 1 1 0   8  46 o 57.782   16.491  30.335     17.458  18.416     22.762  47.366     27.208  51.369  19.062  71.899  20.609  -20.52933      28.07302 
1 1 1 0   8  47 o 277.984  11.792  680.635    57.235  678.312    80.525  683.008    81.366  275.777 16.803  276.691 16.923  -0.9141541     23.84792 
1 1 1 0   8  48 o 125.458  11.440  139.805    24.784  146.017    34.534  133.208    35.589  127.259 15.888  121.096 17.325  6.162735       23.50721 
1 1 1 0   8  49 o 136.792  13.010  166.977    30.700  163.275    37.104  175.011    54.665  134.482 16.123  136.857 23.736  -2.375900      28.69444 
1 1 1 0   8  50 o 127.925  16.224  148.318    35.424  132.895    48.341  166.207    52.062  118.467 24.188  133.189 23.231  -14.72231      33.53722 
1 1 1 0   8  51 o 117.048  16.983  125.289    33.696  105.379    46.148  148.028    49.316  104.632 25.494  125.155 23.428  -20.52233      34.62369 
1 1 1 0   8  52 o 170.512  12.848  259.751    37.972  244.965    65.277  267.313    46.683  161.168 23.922  172.036 15.714  -10.86740      28.62214 
1 1 1 0   8  53 o 80.586   19.556  61.528     27.238  0.0000     0.0000  61.528     27.238  ?       ?       80.586  19.556  0.000000       19.55617 
1 1 1 0   8  54 o 79.847   16.049  59.446     21.599  68.362     34.306  53.590     27.800  84.162  22.786  75.013  20.597  9.149017       30.71496 
1 1 1 0   8  55 o 27.629   12.809  -12.0442   14.723  -11.3035   23.286  -12.5376   19.004  37.023  16.762  32.330  14.830  4.692089       22.38062 
1 1 1 0   8  56 o 129.965  13.291  153.144    29.736  92.979     50.425  185.223    36.820  95.703  28.239  142.348 15.042  -46.64473      31.99521 
1 1 1 0   8  57 o 81.007   16.242  61.886     22.173  75.508     27.154  34.626     38.413  89.014  18.087  65.508  24.673  23.50610       30.59277 
1 1 1 0   8  58 o 64.584   15.813  39.657     17.689  36.765     24.543  42.784     25.517  62.525  19.939  66.738  20.181  -4.212582      28.36939 
1 1 1 0   8  59 o 88.938   13.358  73.133     20.102  71.194     28.385  75.084     28.473  85.341  19.478  87.842  19.108  -2.500854      27.28570 
1 1 1 0   8  60 o 23.740   11.483  -22.5168   14.544  -24.0280   25.561  -21.7934   17.686  34.715  16.346  27.596  13.168  7.119196       20.99032 
1 1 1 0   8  61 o 16.350   8.2884  -42.7371   12.040  -15.1144   23.262  -52.8441   14.071  35.133  16.221  ?       ?       0.000000       16.22104 
1 1 1 0   8  62 o 53.685   19.759  24.564     24.365  36.920     35.784  13.883     33.269  63.844  23.859  52.642  21.900  11.20198       32.38595 
1 1 1 0   8  63 o 37.809   15.543  6.0977     16.486  -14.9865   26.039  20.205     21.299  37.310  17.204  49.535  18.428  -12.22417      25.21033 
1 1 1 0   8  64 o 124.215  12.399  142.790    26.533  153.961    38.751  132.932    36.405  125.126 18.276  115.900 18.619  9.225433       26.08987 
1 1 1 0   8  65 o 60.991   17.007  37.047     18.794  23.890     27.406  48.727     25.821  53.649  20.685  68.697  20.190  -15.04720      28.90517 
1 1 1 0   8  66 o 43.621   16.606  14.836     17.517  27.293     20.755  -16.0076   32.659  53.380  18.382  41.360  19.140  12.02023       26.53728 
1 1 1 0   8  67 o 69.328   21.344  51.610     28.373  83.689     42.140  25.006     38.375  84.484  26.012  57.120  23.621  27.36347       35.13633 
1 1 1 0   8  68 o 83.437   16.784  70.335     23.605  64.122     28.678  83.389     41.569  76.855  20.844  83.528  25.854  -6.673004      33.20997 
1 1 1 0   9  1  o 64.688   13.808  38.090     15.121  0.0000     0.0000  38.090     15.121  ?       ?       64.688  13.808  0.000000       13.80784 
1 1 1 0   9  2  o 405.843  19.456  1450.67    137.869 0.0000     0.0000  1450.67    137.869 ?       ?       405.843 19.456  0.000000       19.45558 
1 1 1 0   9  3  o 357.326  14.733  1120.35    91.920  1215.60    159.332 1072.83    112.535 369.703 24.827  348.671 18.551  21.03125       30.99203 
1 1 1 0   9  4  o 398.497  27.902  1417.99    192.922 1417.99    192.922 0.0000     0.0000  398.497 27.902  ?       ?       0.000000       27.90245 
1 1 1 0   9  5  o 369.398  15.027  1197.54    96.921  1197.54    96.921  0.0000     0.0000  369.398 15.027  ?       ?       0.000000       15.02660 
1 1 1 0   9  6  o 388.469  15.502  1324.83    105.148 1324.83    105.148 0.0000     0.0000  388.469 15.502  ?       ?       0.000000       15.50174 
1 1 1 0   9  7  o 138.177  11.367  168.311    27.181  168.311    27.181  0.0000     0.0000  138.177 11.367  ?       ?       0.000000       11.36670 
1 1 1 0   9  8  o 193.942  10.182  330.072    34.360  326.643    39.750  340.206    68.338  192.752 11.868  195.445 20.322  -2.692841      23.53423 
1 1 1 0   9  9  o 111.648  9.3125  109.799    17.989  125.010    20.911  66.503     35.279  119.090 10.153  85.340  23.107  33.74954       25.23971 
1 1 1 0   9  10 o 415.707  13.930  1515.50    101.112 1528.57    116.779 1476.37    202.098 417.192 16.031  406.422 28.663  10.77072       32.84109 
1 1 1 0   9  11 o 259.520  11.007  589.652    49.879  588.557    57.618  592.927    99.643  259.155 12.733  258.183 22.323  0.9721985      25.69900 
1 1 1 0   9  12 o 383.782  13.024  1290.97    87.277  1340.57    100.800 1142.44    174.445 390.863 14.770  357.396 28.183  33.46716       31.81839 
1 1 1 0   9  13 o 285.856  11.190  715.483    55.850  721.055    64.519  698.827    111.552 286.831 12.883  280.286 22.996  6.544647       26.35872 
1 1 1 0   9  14 o 346.372  12.331  1051.16    74.575  1020.67    86.109  1142.67    149.159 341.082 14.459  358.594 23.960  -17.51147      27.98468 
1 1 1 0   9  15 o 393.809  12.532  1359.00    86.171  1355.41    121.870 1362.59    121.859 392.551 17.780  393.598 17.731  -1.046936      25.11052 
1 1 1 0   9  16 o 156.805  9.4198  215.889    25.671  211.414    36.314  220.359    36.295  154.686 13.583  157.988 13.280  -3.301727      18.99611 
1 1 1 0   9  17 o 307.068  13.063  826.587    70.038  886.465    85.900  707.842    120.967 317.731 15.484  281.601 24.857  36.13043       29.28515 
1 1 1 0   9  18 o 110.954  14.008  109.684    26.534  116.393    38.656  103.706    36.487  113.227 20.298  106.725 20.322  6.501778       28.72301 
1 1 1 0   9  19 o 193.839  11.468  330.242    38.643  338.333    47.349  314.104    66.870  195.901 13.933  187.571 20.766  8.330292       25.00730 
1 1 1 0   9  20 o 329.648  13.980  953.369    80.469  936.621    98.577  986.818    139.313 325.852 17.389  332.943 24.128  -7.091156      29.74068 
1 1 1 0   9  21 o 174.465  10.973  267.593    33.256  281.697    40.746  239.452    57.556  178.758 13.147  163.480 20.622  15.27823       24.45635 
1 1 1 0   9  22 o 386.946  13.473  1313.30    91.028  1279.01    128.660 1347.67    128.805 380.420 19.434  391.100 18.862  -10.68060      27.08250 
1 1 1 0   9  23 o 167.569  10.162  246.705    29.591  232.044    41.931  261.250    41.766  161.871 15.006  171.979 14.031  -10.10764      20.54384 
1 1 1 0   9  24 o 324.960  12.205  925.596    69.252  931.730    97.907  919.455    97.967  324.931 17.319  322.751 17.449  2.179016       24.58490 
1 1 1 0   9  25 o 273.268  13.239  655.072    63.170  669.854    77.290  625.329    109.634 275.554 16.134  264.520 23.998  11.03342       28.91761 
1 1 1 0   9  26 o 501.003  15.817  2206.72    138.365 2036.48    195.585 2377.28    195.772 479.321 23.369  518.438 21.627  -39.11713      31.84084 
1 1 1 0   9  27 o 233.695  10.882  478.418    44.404  447.996    62.740  508.948    62.853  225.135 16.066  240.202 15.062  -15.06696      22.02225 
1 1 1 0   9  28 o 78.287   11.893  54.939     15.745  52.334     23.116  57.193     21.505  75.575  17.809  79.227  16.095  -3.652733      24.00442 
1 1 1 0   9  29 o 527.080  16.343  2445.10    150.409 2353.74    212.737 2536.43    212.684 514.870 23.664  534.808 22.776  -19.93793      32.84378 
1 1 1 0   9  30 f 469.266  15.099  1936.28    123.714 1802.81    174.991 2069.65    174.924 450.939 22.225  483.645 20.714  -32.70593      30.38087 
1 1 1 0   9  31 o 134.028  12.492  158.970    28.897  149.656    35.244  178.073    50.474  129.444 15.930  140.276 21.275  -10.83232      26.57775 
1 1 1 0   9  32 o 240.068  16.107  509.783    67.127  510.373    95.180  509.199    94.684  238.577 23.139  238.327 23.041  0.2493286      32.65424 
1 1 1 0   9  33 o 445.918  30.471  1800.19    235.828 0.0000     0.0000  1800.19    235.828 ?       ?       445.918 30.471  0.000000       30.47092 
1 1 1 0   9  34 o 218.248  15.922  421.896    60.255  446.353    85.016  397.210    85.411  223.075 22.118  209.885 23.723  13.19008       32.43414 
1 1 1 0   9  35 o 303.393  17.299  815.455    91.261  737.844    128.358 894.793    129.778 285.915 25.995  315.898 23.701  -29.98260      35.17809 
1 1 1 0   9  36 o 60.882   19.305  32.345     23.033  34.249     26.501  26.466     46.572  63.309  20.763  68.564  26.817  -5.254642      33.91521 
1 1 1 0   9  37 f 538.094  19.359  2568.68    181.888 2445.30    222.468 2817.42    315.887 522.583 24.381  554.553 32.769  -31.96936      40.84381 
1 1 1 0   9  38 o 18.441   9.3138  -47.9616   14.354  -25.8749   15.918  -144.0542  33.202  24.844  12.016  ?       ?       0.000000       12.01649 
1 1 1 0   9  39 o 97.539   15.589  86.067     25.655  85.566     39.558  86.430     33.705  95.835  23.758  96.737  20.586  -0.9027328     31.43660 
1 1 1 0   9  40 o 66.426   16.018  40.586     18.363  27.346     24.246  58.395     28.121  57.828  19.871  79.426  20.223  -21.59820      28.35177 
1 1 1 0   9  41 o 143.720  13.122  183.566    32.567  157.978    53.865  198.309    40.886  130.349 24.567  148.816 15.986  -18.46683      29.31039 
1 1 1 0   9  42 o 349.405  12.673  1076.48    77.318  982.162    108.880 1172.42    109.813 331.246 18.903  363.088 17.321  -31.84210      25.63915 
1 1 1 0   9  43 o 392.047  13.604  1358.83    93.127  1272.40    131.541 1445.68    131.862 376.116 20.103  402.116 18.780  -25.99933      27.51030 
1 1 1 0   9  44 o 318.837  12.425  897.790    69.169  840.479    97.641  955.524    98.000  305.917 18.365  326.779 17.237  -20.86240      25.18642 
1 1 1 0   9  45 o 284.934  13.646  719.734    67.893  709.000    83.206  741.116    117.440 281.138 17.031  283.843 23.919  -2.705566      29.36234 
1 1 1 0   9  46 o 77.730   15.976  55.847     20.958  59.530     25.633  48.418     36.403  79.778  18.723  73.673  24.343  6.105438       30.71078 
1 1 1 0   9  47 o 55.069   17.354  27.065     18.634  13.923     21.855  62.056     35.662  47.729  18.453  81.091  23.697  -33.36178      30.03433 
1 1 1 0   9  48 o 65.193   15.954  39.627     18.013  40.860     22.708  37.533     29.584  66.207  18.777  65.339  21.955  0.8688431      28.88931 
1 1 1 0   9  49 o 43.336   16.009  13.591     16.018  -4.6054    20.185  44.535     26.323  36.780  16.194  68.996  20.416  -32.21537      26.05817 
1 1 1 0   9  50 o 51.745   16.976  23.534     17.715  18.134     23.405  30.778     27.108  50.882  19.237  60.157  20.991  -9.275272      28.47273 
1 1 1 0   9  51 o 102.956  20.202  100.983    35.020  0.0000     0.0000  100.983    35.020  ?       ?       102.956 20.202  0.000000       20.20205 
1 1 1 0   9  52 o 114.399  19.524  124.071    37.599  0.0000     0.0000  124.071    37.599  ?       ?       114.399 19.524  0.000000       19.52401 
1 1 1 0   9  53 f 58.186   18.737  31.072     21.634  -6.6648    33.329  58.550     28.440  46.477  20.618  77.585  20.635  -31.10834      29.17025 
1 1 1 0   9  54 o 62.356   18.761  36.932     22.093  30.262     34.058  41.779     29.029  61.574  23.223  66.512  21.727  -4.938202      31.80235 
1 1 1 0   9  55 o 73.754   16.671  52.109     20.964  25.956     31.923  71.940     27.798  58.332  22.367  86.026  19.012  -27.69482      29.35597 
1 1 1 0   9  56 o 70.476   18.251  48.454     22.637  13.994     39.864  64.854     27.501  56.704  23.809  81.102  19.631  -24.39830      30.85868 
1 1 1 0   9  57 o 94.631   16.000  85.145     25.494  123.518    43.281  64.756     31.548  110.015 23.259  79.872  21.945  30.14265       31.97754 
1 1 1 0   9  58 o 117.779  14.454  129.732    29.100  129.136    49.790  130.041    35.863  109.663 26.334  115.674 18.370  -6.010895      32.10866 
1 1 1 0   9  59 o 49.548   17.820  21.224     19.659  -27.5815   33.599  46.630     24.241  39.820  18.747  68.155  19.426  -28.33488      26.99656 
1 1 1 0   9  60 o 44.147   16.134  16.066     16.203  19.802     21.963  11.604     24.002  49.428  18.648  46.027  18.818  3.401291       26.49232 
1 1 1 0   9  61 o 52.498   16.704  26.537     17.233  24.945     23.452  28.406     25.408  52.929  19.400  55.613  20.221  -2.683945      28.02233 
1 1 1 0   9  62 o 70.321   15.939  48.880     19.119  43.273     26.275  55.189     27.873  64.745  20.629  72.422  20.889  -7.676956      29.35785 
1 1 1 0   9  63 o 56.842   16.346  32.241     17.090  30.751     22.625  34.221     26.080  55.901  19.196  58.607  20.581  -2.705814      28.14392 
1 1 1 0   9  64 o 75.449   14.296  55.527     18.144  45.979     23.923  68.458     27.841  66.100  19.435  80.370  19.936  -14.26969      27.84177 
1 1 1 0   9  65 o 64.610   16.878  42.874     19.250  33.829     22.997  64.047     35.185  57.308  19.356  74.442  23.887  -17.13435      30.74514 
1 1 1 0   10 0  o 220.661  14.874  428.280    56.973  463.957    80.747  392.910    80.398  228.993 20.409  210.295 22.232  18.69785       30.17946 
1 1 1 0   10 1  o 356.622  12.530  1115.02    78.022  1249.87    110.453 980.712    110.227 376.942 16.782  333.012 19.036  43.93082       25.37702 
1 1 1 0   10 2  o 361.763  12.734  1147.56    80.439  1251.88    113.865 1043.64    113.650 377.156 17.290  343.564 19.019  33.59253       25.70395 
1 1 1 0   10 3  o 588.389  17.787  3048.31    182.733 3175.25    258.456 2921.42    258.392 598.149 24.747  573.333 25.811  24.81573       35.75772 
1 1 1 0   10 4  o 222.108  10.449  431.959    40.524  451.126    46.852  375.030    80.746  226.576 11.884  204.566 23.005  22.00952       25.89341 
1 1 1 0   10 5  o 518.438  16.155  2363.17    146.244 2397.41    168.889 2260.56    292.379 521.598 18.544  500.179 33.674  21.41867       38.44224 
1 1 1 0   10 6  o 111.729  10.933  110.376    21.056  132.731    25.965  67.449     35.981  122.439 12.312  85.864  23.373  36.57504       26.41734 
1 1 1 0   10 7  o 164.950  14.229  240.599    40.581  224.753    57.495  256.330    57.286  158.084 21.378  169.339 19.745  -11.25522      29.10114 
1 1 1 0   10 8  o 513.917  21.968  2336.41    197.125 1745.18    278.618 2929.00    278.935 437.642 36.803  573.123 27.874  -135.4813      46.16676 
1 1 1 0   10 9  o 266.317  15.763  625.596    72.975  545.552    102.909 706.560    103.499 246.863 24.185  281.973 21.176  -35.11026      32.14577 
1 1 1 0   10 10 o 584.176  25.106  3031.69    256.086 3031.69    256.086 0.0000     0.0000  584.176 25.106  ?       ?       0.000000       25.10610 
1 1 1 0   10 11 o 318.584  17.127  895.912    94.922  895.912    94.922  0.0000     0.0000  318.584 17.127  ?       ?       0.000000       17.12681 
1 1 1 0   10 12 o 85.594   15.185  66.271     21.863  66.271     21.863  0.0000     0.0000  85.594  15.185  ?       ?       0.000000       15.18495 
1 1 1 0   10 13 o 211.376  14.752  394.377    54.104  394.377    54.104  0.0000     0.0000  211.376 14.752  ?       ?       0.000000       14.75175 
1 1 1 0   10 14 o 161.852  14.068  231.721    39.363  231.721    39.363  0.0000     0.0000  161.852 14.068  ?       ?       0.000000       14.06846 
1 1 1 0   10 15 o 215.752  14.762  410.866    55.279  410.866    55.279  0.0000     0.0000  215.752 14.762  ?       ?       0.000000       14.76241 
1 1 1 0   10 16 o 329.104  13.703  950.874    78.742  888.755    96.350  1075.81    136.638 317.155 17.466  347.690 22.630  -30.53467      28.58658 
1 1 1 0   10 17 o 107.981  12.119  103.516    22.455  108.840    27.642  93.183     38.507  110.340 14.714  100.615 22.485  9.724388       26.87107 
1 1 1 0   10 18 o 57.596   14.593  30.276     14.693  22.602     17.812  46.618     25.992  51.788  17.024  71.615  20.012  -19.82693      26.27337 
1 1 1 0   10 19 o 89.062   12.683  70.977     19.166  66.347     23.552  80.056     32.980  85.414  16.388  93.341  20.771  -7.926086      26.45713 
1 1 1 0   10 20 o 155.926  11.867  214.433    32.066  218.864    39.321  205.635    55.404  157.152 14.493  150.883 21.650  6.269257       26.05356 
1 1 1 0   10 21 f 219.752  12.501  425.098    47.768  407.511    58.509  460.254    82.724  214.624 15.722  227.025 21.111  -12.40056      26.32192 
1 1 1 0   10 22 o 121.777  12.047  131.350    25.280  135.550    30.945  122.921    43.836  123.313 14.659  115.787 22.493  7.525764       26.84807 
1 1 1 0   10 23 o 238.922  15.780  504.746    65.459  508.095    92.309  501.359    92.840  238.192 22.460  236.516 22.762  1.676437       31.97750 
1 1 1 0   10 24 o 206.367  15.330  376.895    54.843  369.586    77.151  384.361    77.975  202.865 22.140  206.982 21.908  -4.116470      31.14740 
1 1 1 0   10 25 o 225.857  12.713  449.357    49.932  434.372    61.047  479.641    86.787  221.488 15.891  231.449 21.730  -9.960449      26.92023 
1 1 1 0   10 26 o 552.059  19.739  2699.66    190.271 2574.78    232.982 2949.75    329.703 536.878 24.853  568.659 33.351  -31.78082      41.59315 
1 1 1 0   10 27 o 146.594  15.932  191.628    40.123  236.079    56.856  147.531    56.630  161.881 20.580  126.037 26.570  35.84422       33.60812 
1 1 1 0   10 28 o 280.354  24.118  707.095    116.912 707.095    116.912 0.0000     0.0000  280.354 24.118  ?       ?       0.000000       24.11767 
1 1 1 0   10 29 f 185.824  22.845  312.365    72.562  312.365    72.562  0.0000     0.0000  185.824 22.845  ?       ?       0.000000       22.84484 
1 1 1 0   10 30 o 542.632  24.783  2640.08    234.814 2275.94    332.584 3002.01    331.572 493.173 38.939  571.739 33.359  -78.56580      51.27424 
1 1 1 0   10 31 o 554.495  19.644  2732.01    190.191 2726.42    233.020 2743.18    329.181 551.438 24.201  544.629 34.797  6.808289       42.38559 
1 1 1 0   10 32 o 226.695  11.689  452.814    46.109  389.109    66.009  513.518    64.436  208.663 18.302  240.667 15.415  -32.00334      23.92864 
1 1 1 0   10 33 o 306.098  14.152  826.411    75.640  750.266    130.812 864.659    92.711  286.980 26.402  311.931 17.087  -24.95105      31.44872 
1 1 1 0   10 34 f 268.205  13.536  635.861    63.186  523.941    109.183 692.221    77.479  239.099 26.604  279.210 15.959  -40.11061      31.02305 
1 1 1 0   10 35 o 269.472  11.531  638.869    54.254  613.985    76.726  663.752    76.726  262.525 16.827  273.206 16.156  -10.68124      23.32698 
1 1 1 0   10 36 o 287.720  11.825  729.018    59.404  644.826    83.905  813.631    84.115  268.508 18.001  302.479 15.983  -33.97076      24.07247 
1 1 1 0   10 37 o 97.818   12.032  85.580     20.118  79.758     27.841  91.942     29.102  93.129  17.770  100.288 17.241  -7.158607      24.75900 
1 1 1 0   10 38 o 277.795  11.699  680.480    56.744  657.618    80.109  703.501    80.388  271.096 17.010  280.635 16.478  -9.538422      23.68230 
1 1 1 0   10 39 o 178.817  10.771  282.728    33.473  243.100    47.095  323.183    47.584  164.281 16.648  190.311 14.427  -26.03049      22.02957 
1 1 1 0   10 40 o 387.264  15.833  1337.86    107.064 1262.74    131.033 1488.73    185.705 373.275 20.179  399.966 26.745  -26.69095      33.50406 
1 1 1 0   10 41 o 80.383   15.351  59.480     20.760  71.794     25.085  32.719     36.981  88.116  16.919  65.704  24.314  22.41222       29.62118 
1 1 1 0   10 42 o 286.394  13.498  729.587    67.501  668.374    82.427  854.214    117.613 271.928 17.452  304.383 22.284  -32.45471      28.30519 
1 1 1 0   10 43 o 148.278  12.752  196.839    32.693  168.342    38.741  267.346    60.938  135.817 16.687  169.710 21.014  -33.89308      26.83362 
1 1 1 0   10 44 o 56.339   18.051  28.407     20.097  41.903     31.700  19.337     25.987  68.277  22.724  53.148  20.228  15.12852       30.42288 
1 1 1 0   10 45 o 126.605  17.636  148.196    37.927  0.0000     0.0000  148.196    37.927  ?       ?       126.605 17.636  0.000000       17.63569 
1 1 1 0   10 46 o 200.416  10.705  357.543    37.327  288.648    51.265  435.280    54.456  177.520 16.737  219.596 14.280  -42.07594      22.00077 
1 1 1 0   10 47 o 138.294  11.495  171.609    27.505  152.079    37.322  194.827    40.693  128.033 17.124  145.525 16.294  -17.49113      23.63738 
1 1 1 0   10 48 o 74.478   14.671  51.830     18.399  44.586     23.982  62.194     28.687  68.239  19.277  80.028  20.453  -11.78976      28.10567 
1 1 1 0   10 49 o 52.704   17.382  24.940     18.563  13.304     28.617  33.394     24.391  50.906  20.648  60.309  19.926  -9.402832      28.69485 
1 1 1 0   10 50 o 83.083   16.496  65.588     23.087  49.381     38.302  74.837     28.935  72.078  24.963  87.717  19.406  -15.63944      31.61852 
1 1 1 0   10 51 o 168.068  12.820  257.136    37.338  200.170    63.898  286.673    46.011  138.569 27.380  176.143 15.106  -37.57401      31.27116 
1 1 1 0   10 52 o 62.496   20.936  37.033     26.902  0.0000     0.0000  37.033     26.902  ?       ?       62.496  20.936  0.000000       20.93613 
1 1 1 0   10 53 o 96.442   19.509  91.900     31.723  0.0000     0.0000  91.900     31.723  ?       ?       96.442  19.509  0.000000       19.50860 
1 1 1 0   10 54 o 40.958   16.791  7.6856     19.174  7.4616     35.548  7.7775     22.770  51.361  22.056  43.626  18.131  7.734894       28.55125 
1 1 1 0   10 55 o 43.589   17.579  10.865     20.614  -18.4414   34.635  26.941     25.653  42.694  19.740  55.244  20.283  -12.55022      28.30357 
1 1 1 0   10 56 o 76.967   16.935  58.511     22.141  51.239     29.147  68.434     34.046  70.286  21.632  80.103  23.081  -9.816986      31.63360 
1 1 1 0   10 57 o 75.893   16.700  57.089     21.529  58.431     27.868  55.102     33.907  74.826  20.653  71.821  23.483  3.005219       31.27275 
1 1 1 0   10 58 o 84.052   15.359  68.873     21.711  74.791     27.634  59.330     35.092  85.456  19.011  73.601  23.881  11.85513       30.52384 
1 1 1 0   10 59 o 51.893   16.328  26.418     16.504  9.3427     19.992  62.956     29.244  41.688  17.124  76.587  21.164  -34.89898      27.22407 
1 1 1 0   10 60 o 39.877   15.220  12.196     14.738  4.1982     17.432  32.235     27.593  36.897  15.631  57.212  21.032  -20.31517      26.20461 
1 1 1 0   10 61 o 43.071   15.700  16.287     15.329  13.836     18.391  21.865     27.744  42.901  16.831  51.404  20.511  -8.503578      26.53306 
1 1 1 0   10 62 o 49.238   16.481  23.970     16.671  22.219     19.432  28.853     32.450  48.530  17.678  55.597  22.183  -7.067142      28.36580 
1 1 1 0   11 1  o 377.364  13.126  1250.81    86.491  1154.39    122.171 1347.69    122.463 360.717 19.469  390.678 17.952  -29.96152      26.48295 
1 1 1 0   11 2  o 380.949  12.989  1274.54    86.398  1276.60    122.177 1272.47    122.194 380.121 18.408  379.498 18.441  0.6232605      26.05586 
1 1 1 0   11 3  o 373.437  18.889  1235.94    122.763 1235.94    122.763 0.0000     0.0000  373.437 18.889  ?       ?       0.000000       18.88862 
1 1 1 0   11 4  o 148.227  11.534  193.874    29.616  193.874    29.616  0.0000     0.0000  148.227 11.534  ?       ?       0.000000       11.53376 
1 1 1 0   11 5  o 257.301  12.830  581.393    57.642  581.393    57.642  0.0000     0.0000  257.301 12.830  ?       ?       0.000000       12.83022 
1 1 1 0   11 6  o 443.721  16.607  1735.99    128.669 1735.99    128.669 0.0000     0.0000  443.721 16.607  ?       ?       0.000000       16.60745 
1 1 1 0   11 7  o 35.894   12.666  9.8574     9.8870  9.8574     9.8870  0.0000     0.0000  35.894  12.666  ?       ?       0.000000       12.66628 
1 1 1 0   11 8  o 97.522   11.938  84.691     19.904  84.691     19.904  0.0000     0.0000  97.522  11.938  ?       ?       0.000000       11.93824 
1 1 1 0   11 9  o 192.352  10.164  325.147    34.017  310.713    39.103  370.054    68.972  187.779 11.989  203.528 19.653  -15.74966      23.02073 
1 1 1 0   11 10 o 410.095  13.807  1478.72    98.867  1418.81    114.094 1659.31    198.088 401.146 16.289  429.585 26.539  -28.43936      31.13894 
1 1 1 0   11 11 o 332.541  12.229  970.901    71.009  913.448    81.885  1145.11    142.588 322.174 14.556  357.928 22.936  -35.75424      27.16503 
1 1 1 0   11 12 o 484.718  17.257  2074.67    146.051 1944.01    178.808 2336.59    253.160 467.595 21.900  508.671 28.620  -41.07632      36.03765 
1 1 1 0   11 13 o 468.621  17.336  1939.71    141.852 1773.35    173.698 2272.81    245.792 446.392 22.285  501.807 28.166  -55.41544      35.91605 
1 1 1 0   11 14 o 468.181  20.820  1946.54    170.201 1652.86    240.278 2242.30    241.125 425.142 32.617  498.495 27.813  -73.35287      42.86525 
1 1 1 0   11 15 o 548.688  24.079  2689.95    230.689 2689.95    230.689 0.0000     0.0000  548.688 24.079  ?       ?       0.000000       24.07902 
1 1 1 0   11 16 o 244.109  12.702  525.088    53.955  525.088    53.955  0.0000     0.0000  244.109 12.702  ?       ?       0.000000       12.70236 
1 1 1 0   11 17 o 276.629  13.435  673.166    64.894  673.166    64.894  0.0000     0.0000  276.629 13.435  ?       ?       0.000000       13.43514 
1 1 1 0   11 18 o 129.120  12.919  148.033    28.735  148.033    28.735  0.0000     0.0000  129.120 12.919  ?       ?       0.000000       12.91892 
1 1 1 0   11 19 o 221.224  12.884  431.837    49.551  441.912    60.972  412.238    85.039  223.223 15.744  213.607 23.172  9.615601       28.01457 
1 1 1 0   11 20 o ?        ?       -89.4587   5.3351  -101.7875  7.4994  -76.8252   7.5915  ?       ?       ?       ?       0.000000       ?        
1 1 1 0   11 21 o 316.430  14.477  882.776    79.989  711.435    139.491 966.723    97.637  278.638 29.100  330.106 16.997  -51.46854      33.70063 
1 1 1 0   11 22 o 401.372  15.697  1423.30    110.005 1330.92    191.771 1468.61    134.298 381.761 28.986  406.623 18.915  -24.86249      34.61158 
1 1 1 0   11 23 o 424.654  16.034  1594.76    118.888 2173.31    207.479 1311.92    145.066 491.753 24.164  382.512 21.810  109.2412       32.55109 
1 1 1 0   11 24 o ?        ?       -342.1852  9.2107  -399.3005  12.169  -265.5789  14.093  ?       ?       ?       ?       0.000000       ?        
1 1 1 0   11 25 o 25.029   12.188  -30.6227   17.115  -39.2573   28.188  -25.5801   21.541  34.312  16.440  31.225  14.794  3.086670       22.11660 
1 1 1 0   11 26 o 207.974  11.281  381.462    40.811  338.317    57.048  426.685    58.406  194.556 16.963  219.081 15.366  -24.52545      22.88759 
1 1 1 0   11 27 f 183.737  11.138  297.991    35.564  246.820    49.231  353.842    51.432  165.818 17.256  199.467 14.874  -33.64978      22.78222 
1 1 1 0   11 28 o 373.942  13.272  1234.41    86.657  1121.22    122.330 1348.41    122.773 353.444 19.903  388.999 18.076  -35.55502      26.88603 
1 1 1 0   11 29 o 380.177  13.370  1276.91    88.750  1151.80    125.250 1403.06    125.773 357.892 20.125  396.539 18.165  -38.64786      27.11046 
1 1 1 0   11 30 o 180.630  10.850  288.241    34.063  274.716    47.809  302.186    48.544  175.165 15.801  183.929 15.253  -8.764160      21.96231 
1 1 1 0   11 31 o 200.441  10.764  354.837    37.536  296.762    52.757  414.375    53.417  181.700 16.820  215.751 14.260  -34.05035      22.05108 
1 1 1 0   11 32 o 145.752  11.052  188.355    27.917  203.443    40.269  174.395    38.736  150.420 15.557  138.957 16.273  11.46304       22.51323 
1 1 1 0   11 33 o 110.081  11.944  108.319    22.589  102.291    32.491  113.959    31.427  105.311 18.336  111.785 16.606  -6.474037      24.73744 
1 1 1 0   11 34 o 104.615  11.693  97.932     20.993  114.132    29.938  82.260     29.446  112.021 15.740  94.032  18.593  17.98923       24.36104 
1 1 1 0   11 35 o 194.727  12.724  337.849    43.025  365.942    52.847  282.620    74.097  201.882 15.101  172.936 25.286  28.94514       29.45214 
1 1 1 0   11 36 o 228.555  12.916  465.772    51.332  414.140    62.883  568.895    88.868  213.840 16.981  248.795 20.643  -34.95500      26.73037 
1 1 1 0   11 37 o 123.435  13.269  137.242    28.150  121.844    34.657  167.093    48.256  114.785 17.874  133.361 21.450  -18.57566      27.92114 
1 1 1 0   11 38 o 258.964  13.108  599.758    59.078  540.723    72.249  718.873    102.627 243.835 17.078  278.337 21.278  -34.50285      27.28360 
1 1 1 0   11 39 o 106.875  11.939  102.862    21.899  87.997     30.686  118.288    31.261  96.586  18.872  113.328 16.264  -16.74222      24.91352 
1 1 1 0   11 40 o 61.607   16.950  35.655     18.806  53.982     30.559  24.484     23.859  75.049  21.938  54.827  19.641  20.22202       29.44531 
1 1 1 0   11 41 o 97.160   14.720  86.983     24.191  91.682     29.905  78.087     41.147  98.604  18.034  88.697  25.318  9.906731       31.08440 
1 1 1 0   11 42 o 176.312  10.800  277.867    33.088  248.038    46.826  307.616    46.762  163.964 16.584  183.768 14.696  -19.80443      22.15882 
1 1 1 0   11 43 o 282.737  11.794  716.181    58.226  624.893    81.991  809.057    82.702  259.024 18.245  296.972 16.008  -37.94775      24.27246 
1 1 1 0   11 44 o 191.303  12.832  331.542    42.614  279.718    72.347  359.074    52.733  167.009 25.628  197.569 15.408  -30.56013      29.90332 
1 1 1 0   11 45 f 294.880  13.921  791.538    71.678  566.260    123.198 906.818    88.130  230.021 31.502  313.046 16.178  -83.02480      35.41354 
1 1 1 0   11 46 o 143.137  12.963  187.342    32.046  130.900    54.212  217.656    39.730  110.563 28.040  153.204 15.046  -42.64145      31.82217 
1 1 1 0   11 47 o 31.486   13.959  -3.8555    15.253  5.9897     23.551  -10.9693   20.019  43.577  18.299  33.498  15.312  10.07885       23.85980 
1 1 1 0   11 48 o 98.273   19.373  95.454     32.061  0.0000     0.0000  95.454     32.061  ?       ?       98.273  19.373  0.000000       19.37305 
1 1 1 0   11 49 o 145.902  17.679  205.248    44.118  0.0000     0.0000  205.248    44.118  ?       ?       145.902 17.679  0.000000       17.67864 
1 1 1 0   11 50 o 46.953   19.368  11.288     25.709  0.0000     0.0000  11.288     25.709  ?       ?       46.953  19.368  0.000000       19.36808 
1 1 1 0   11 51 o 55.274   18.682  29.227     21.423  39.686     32.072  20.801     28.786  63.497  22.769  52.836  20.953  10.66034       30.94273 
1 1 1 0   11 52 o 117.466  12.312  128.328    24.877  135.620    33.254  119.061    37.488  117.987 16.601  107.434 20.735  10.55309       26.56218 
1 1 1 0   11 53 o 47.440   16.320  20.791     16.357  19.423     20.652  23.093     26.794  48.092  18.096  52.648  20.410  -4.556293      27.27678 
1 1 1 0   11 54 o 74.461   15.241  54.593     19.148  57.701     24.827  50.030     30.082  74.484  19.022  68.180  22.109  6.304176       29.16612 
1 1 1 0   11 55 o 60.659   16.496  37.286     17.933  7.2617     22.995  83.892     28.649  42.419  17.961  89.987  18.838  -47.56846      26.02788 
1 1 1 0   11 56 o 99.871   12.662  94.865     21.584  49.862     29.375  147.673    31.820  67.245  21.851  122.860 15.154  -55.61507      26.59136 
1 1 1 0   11 57 f 55.849   16.527  31.963     17.250  33.588     23.241  29.970     25.740  56.806  19.457  54.840  20.286  1.965694       28.10914 
1 1 1 0   11 58 o 90.928   13.955  81.128     21.449  90.436     29.458  70.625     31.290  92.061  18.958  78.426  21.972  13.63541       29.01986 
1 1 1 0   11 59 o 33.815   15.276  -4.4819    19.219  -12.0193   37.400  -1.7773    22.403  43.348  20.203  37.337  16.711  6.011292       26.21838 
1 1 1 0   12 0  o 479.072  20.815  2026.76    174.115 1572.86    245.614 2485.28    246.861 416.826 34.044  527.862 26.873  -111.0360      43.37214 
1 1 1 0   12 1  o 402.031  15.327  1428.70    107.589 1225.85    131.356 1842.17    187.536 370.116 20.405  452.001 23.846  -81.88467      31.38469 
1 1 1 0   12 2  o 438.630  16.383  1703.71    125.471 1462.32    153.392 2191.76    218.112 403.619 21.847  492.022 25.476  -88.40268      33.56020 
1 1 1 0   12 3  o 334.887  13.594  988.786    79.487  739.089    96.889  1502.80    139.013 287.458 19.417  410.784 19.381  -123.3258      27.43470 
1 1 1 0   12 4  o 496.989  17.401  2191.51    151.002 1854.89    184.679 2870.47    262.284 453.760 23.389  562.721 26.694  -108.9613      35.49100 
1 1 1 0   12 5  o 255.571  12.523  575.087    55.883  397.934    67.857  948.492    98.516  210.745 18.632  326.521 17.342  -115.7751      25.45402 
1 1 1 0   12 6  o 586.404  20.006  3067.82    204.846 2689.81    250.624 3828.56    355.544 544.824 26.345  644.874 31.576  -100.0502      41.12313 
1 1 1 0   12 7  o 150.395  12.547  200.532    32.647  186.409    39.181  232.601    59.043  144.304 15.809  159.811 21.722  -15.50717      26.86596 
1 1 1 0   12 8  o 98.590   14.996  87.804     25.001  130.807    29.219  -29.7110   48.302  120.943 14.101  52.066  23.793  68.87645       27.65791 
1 1 1 0   12 9  o 113.831  13.517  115.850    26.340  148.566    31.370  37.655     48.498  128.969 14.164  73.495  27.714  55.47375       31.12386 
1 1 1 0   12 10 o 495.526  16.196  2176.16    140.134 2107.77    161.821 2381.26    280.224 486.284 19.058  506.828 31.827  -20.54446      37.09660 
1 1 1 0   12 11 o 261.953  11.070  603.387    50.633  636.075    58.334  503.523    101.961 268.704 12.433  234.586 25.292  34.11809       28.18313 
1 1 1 0   12 12 o 349.949  13.185  1080.30    80.566  981.649    92.896  1379.68    161.835 332.783 15.987  390.274 23.863  -57.49100      28.72370 
1 1 1 0   12 13 o 190.745  10.539  320.761    34.965  317.440    40.125  331.239    71.277  189.441 12.195  190.906 21.772  -1.465485      24.95515 
1 1 1 0   12 14 o 124.745  11.199  138.002    24.133  143.868    27.621  119.074    49.617  127.131 12.609  112.350 25.833  14.78125       28.74576 
1 1 1 0   12 15 o 319.405  14.399  902.587    80.303  893.302    98.376  921.127    139.016 316.151 17.894  317.451 25.290  -1.299622      30.98031 
1 1 1 0   12 16 o 282.386  13.484  704.580    66.486  719.103    81.606  675.910    114.660 283.978 16.529  271.957 24.406  12.02094       29.47651 
1 1 1 0   12 17 o 215.561  12.452  411.304    46.667  376.698    57.071  481.134    81.070  205.324 16.046  230.691 20.335  -25.36674      25.90331 
1 1 1 0   12 18 o 225.588  12.737  450.774    49.966  444.937    61.160  462.489    86.642  223.260 15.791  225.235 22.325  -1.974472      27.34510 
1 1 1 0   12 19 o 305.688  13.749  827.139    73.383  819.863    89.747  841.816    127.471 302.782 17.045  303.178 24.283  -0.3958435     29.66845 
1 1 1 0   12 20 o 94.880   14.144  81.459     22.716  73.467     27.704  97.857     39.684  89.032  18.428  101.971 22.854  -12.93941      29.35821 
1 1 1 0   12 21 o 82.865   14.500  62.648     20.215  62.648     20.215  0.0000     0.0000  82.865  14.500  ?       ?       0.000000       14.49963 
1 1 1 0   12 22 o 225.090  16.006  453.956    62.496  453.956    62.496  0.0000     0.0000  225.090 16.006  ?       ?       0.000000       16.00570 
1 1 1 0   12 23 o 167.629  12.577  250.083    36.542  244.299    45.226  260.961    62.022  164.730 15.922  168.253 21.611  -3.522186      26.84317 
1 1 1 0   12 24 o 176.999  12.572  278.858    38.602  298.018    47.312  240.702    66.765  182.286 14.998  160.032 24.688  22.25392       28.88610 
1 1 1 0   12 25 o 514.430  16.336  2370.96    146.736 2318.80    207.515 2423.11    207.517 501.725 23.688  513.493 23.145  -11.76819      33.11782 
1 1 1 0   12 26 o 248.915  11.210  547.977    48.722  554.909    68.989  541.079    68.817  248.363 15.994  245.158 16.167  3.205093       22.74132 
1 1 1 0   12 27 o 214.023  10.949  406.188    40.779  398.052    57.391  414.484    57.954  210.136 15.756  214.527 15.578  -4.390686      22.15699 
1 1 1 0   12 28 o 201.355  12.513  361.715    43.777  290.404    73.149  401.506    54.642  174.978 24.623  211.252 14.909  -36.27394      28.78542 
1 1 1 0   12 29 o 116.138  12.932  121.571    25.778  47.443     40.774  170.928    33.271  73.540  25.740  137.593 14.045  -64.05361      29.32246 
1 1 1 0   12 30 o 166.053  15.030  249.704    43.105  178.869    57.073  343.754    65.765  136.000 24.954  192.650 19.834  -56.65048      31.87621 
1 1 1 0   12 31 o 49.275   16.954  20.422     17.654  21.084     19.554  17.507     41.050  50.656  17.820  60.252  24.619  -9.595253      30.39128 
1 1 1 0   12 32 o 134.153  12.840  162.332    29.708  155.742    35.848  176.781    53.083  130.196 16.113  135.455 23.283  -5.259033      28.31510 
1 1 1 0   12 33 o 130.387  12.886  153.682    28.953  133.216    34.934  198.579    51.742  119.705 17.209  144.606 21.115  -24.90115      27.23900 
1 1 1 0   12 34 o 275.000  11.590  675.241    55.654  608.054    78.091  744.587    79.336  256.820 17.519  285.549 15.976  -28.72919      23.70984 
1 1 1 0   12 35 o 44.874   15.051  17.427     13.903  19.996     17.324  12.777     23.304  48.530  16.790  47.404  18.835  1.126179       25.23185 
1 1 1 0   12 36 o 229.325  12.996  475.477    51.824  401.051    88.510  514.303    63.928  200.749 25.852  236.803 15.548  -36.05400      30.16679 
1 1 1 0   12 37 o 63.768   16.553  38.871     18.592  21.431     30.041  49.697     23.670  55.389  21.573  71.587  18.723  -16.19807      28.56451 
1 1 1 0   12 38 o 84.999   15.292  68.044     21.861  55.196     35.363  75.990     27.812  74.624  23.948  88.577  18.576  -13.95282      30.30785 
1 1 1 0   12 39 o 31.376   13.784  -2.6353    14.555  0.5299     21.751  -5.2016    19.585  39.822  17.178  35.403  15.750  4.419216       23.30554 
1 1 1 0   12 40 o 215.795  13.038  425.394    48.898  339.270    83.839  469.792    60.196  179.620 27.616  224.856 15.425  -45.23552      31.63204 
1 1 1 0   12 41 o 131.625  12.851  159.306    29.158  67.559     48.663  210.692    36.419  80.142  28.116  150.855 13.985  -70.71294      31.40202 
1 1 1 0   12 42 o 35.017   14.943  1.5475     16.135  10.492     26.381  -3.7977    20.394  47.276  19.570  36.487  16.160  10.78933       25.37990 
1 1 1 0   12 43 o 64.895   17.452  41.636     20.205  27.438     31.587  51.468     26.286  57.594  22.207  71.187  20.207  -13.59253      30.02455 
1 1 1 0   12 44 o 48.050   18.785  16.745     22.844  0.0000     0.0000  16.745     22.844  ?       ?       48.050  18.785  0.000000       18.78465 
1 1 1 0   12 45 o 58.835   19.963  33.901     24.462  0.0000     0.0000  33.901     24.462  ?       ?       58.835  19.963  0.000000       19.96268 
1 1 1 0   12 46 o 37.341   15.774  4.0278     17.671  0.2468     30.251  5.9864     21.772  44.830  19.777  41.478  17.515  3.351692       26.41752 
1 1 1 0   12 47 o 46.891   15.449  20.725     14.666  4.7826     18.732  45.978     23.576  38.478  16.247  66.664  19.206  -28.18566      25.15659 
1 1 1 0   12 48 o 108.445  12.216  110.250    22.728  114.031    31.066  105.895    33.340  106.902 17.229  101.154 19.584  5.748802       26.08384 
1 1 1 0   12 49 o 39.371   15.081  11.710     14.503  26.039     18.649  -10.2179   23.070  51.623  17.431  35.623  16.340  15.99975       23.89188 
1 1 1 0   12 50 o 57.734   15.969  33.746     16.640  13.140     22.386  59.188     24.875  44.719  18.216  74.804  19.006  -30.08547      26.32567 
1 1 1 0   12 51 o 38.937   14.847  11.862     14.016  4.0177     18.139  23.482     22.078  37.097  15.838  50.210  18.746  -13.11277      24.54061 
1 1 1 0   12 52 o 39.102   15.218  11.508     14.942  17.853     19.537  2.5665     23.191  45.587  17.494  39.909  17.469  5.678154       24.72260 
1 1 1 0   12 53 o 22.079   10.609  -15.5021   11.927  -21.5306   15.463  -6.6502    18.738  24.483  11.842  32.634  14.877  -8.151299      19.01465 
1 1 1 0   12 54 o 50.427   16.237  26.185     16.245  4.8853     21.548  54.237     24.728  39.349  17.035  69.624  19.542  -30.27445      25.92476 
1 1 1 0   13 1  o 137.600  10.172  167.846    24.266  135.645    33.103  205.245    35.675  122.209 15.889  151.381 13.643  -29.17192      20.94302 
1 1 1 0   13 2  o 143.737  11.900  184.061    29.598  176.432    35.719  200.780    52.874  139.926 14.846  147.158 21.188  -7.231232      25.87205 
1 1 1 0   13 3  o 196.792  10.581  342.770    36.225  336.665    41.810  361.151    72.551  194.542 12.373  198.033 21.318  -3.491562      24.64811 
1 1 1 0   13 4  o 181.105  10.851  290.680    34.155  287.131    39.534  301.125    67.823  179.501 12.696  180.321 21.997  -0.8205719     25.39786 
1 1 1 0   13 5  o 221.971  10.800  435.166    41.860  424.132    48.431  467.753    83.229  218.288 12.762  225.501 21.394  -7.212326      24.91131 
1 1 1 0   13 6  o 210.761  10.520  392.143    38.715  359.482    44.656  490.970    77.681  200.876 12.799  232.082 19.346  -31.20647      23.19607 
1 1 1 0   13 7  o 258.380  13.164  594.649    59.194  528.994    72.419  726.814    102.748 241.931 17.257  281.524 21.055  -39.59363      27.22315 
1 1 1 0   13 8  o 202.876  12.457  366.445    43.914  311.624    53.997  473.540    75.471  185.508 16.854  227.872 19.146  -42.36404      25.50723 
1 1 1 0   13 9  f 279.252  13.797  694.573    67.272  649.541    82.578  783.426    115.994 267.785 17.762  290.719 23.039  -22.93442      29.09114 
1 1 1 0   13 10 o 90.378   13.491  74.213     20.638  62.488     25.338  97.324     35.573  81.631  18.237  101.575 20.758  -19.94396      27.63106 
1 1 1 0   13 11 o 75.989   14.381  53.163     18.383  57.002     22.581  45.620     31.654  78.130  17.033  70.674  22.655  7.456001       28.34381 
1 1 1 0   13 12 o 159.600  12.300  227.479    34.013  208.815    41.682  264.674    58.842  151.702 15.976  169.144 20.331  -17.44193      25.85703 
1 1 1 0   13 13 o 104.983  11.015  98.608     19.890  91.501     22.820  121.072    40.571  100.514 13.332  113.195 21.309  -12.68105      25.13578 
1 1 1 0   13 14 o 91.682   12.967  76.250     20.179  56.338     23.675  129.131    38.581  77.394  17.879  117.615 19.468  -40.22050      26.43239 
1 1 1 0   13 15 o 89.642   13.099  73.046     19.897  73.822     23.783  71.233     36.324  89.368  15.820  85.966  23.518  3.401901       28.34415 
1 1 1 0   13 16 o 188.209  12.230  316.432    39.975  287.606    48.607  376.670    70.266  178.041 15.800  201.637 20.230  -23.59644      25.66918 
1 1 1 0   13 17 o 123.318  12.427  136.766    26.394  133.964    31.903  142.845    46.986  121.090 15.441  122.112 22.878  -1.022682      27.60064 
1 1 1 0   13 18 o 231.932  13.108  482.168    52.867  495.193    64.251  454.866    93.027  233.671 15.841  218.100 24.873  15.57001       29.48904 
1 1 1 0   13 19 o 89.810   13.534  73.735     20.564  67.597     24.390  88.827     38.244  84.874  17.050  95.497  23.171  -10.62371      28.76800 
1 1 1 0   13 20 o 146.515  12.411  192.985    31.452  194.037    38.027  190.707    55.960  145.902 15.147  140.599 23.633  5.303238       28.07061 
1 1 1 0   13 21 f 122.318  12.178  134.853    25.663  106.484    30.918  197.686    46.013  106.869 17.149  145.673 18.508  -38.80486      25.23137 
1 1 1 0   13 22 o 191.654  15.642  335.330    51.889  293.848    73.327  376.935    73.437  173.723 24.885  199.615 21.404  -25.89229      32.82312 
1 1 1 0   13 23 o 102.890  16.531  98.751     28.693  120.265    38.739  72.603     42.708  111.999 20.567  85.473  26.165  26.52605       33.28075 
1 1 1 0   13 24 o 23.212   10.978  -13.2873   11.760  -13.2873   11.760  0.0000     0.0000  23.212  10.978  ?       ?       0.000000       10.97768 
1 1 1 0   13 25 o 169.501  22.500  277.699    64.947  0.0000     0.0000  277.699    64.947  ?       ?       169.501 22.500  0.000000       22.50037 
1 1 1 0   13 26 o 79.080   23.889  62.042     35.767  0.0000     0.0000  62.042     35.767  ?       ?       79.080  23.889  0.000000       23.88871 
1 1 1 0   13 27 o 59.719   18.154  33.717     20.608  9.1369     27.811  63.646     30.689  48.378  20.066  80.222  21.481  -31.84313      29.39486 
1 1 1 0   13 28 o 62.995   18.539  38.089     21.759  42.752     29.405  32.446     32.349  66.877  21.868  61.761  22.762  5.116035       31.56453 
1 1 1 0   13 29 o 178.766  15.692  296.459    48.485  282.358    67.283  311.691    69.930  168.565 23.499  177.541 23.105  -8.976639      32.95541 
1 1 1 0   13 30 o 66.308   16.616  42.429     19.198  17.671     29.530  60.556     25.267  52.909  21.144  78.634  18.680  -25.72498      28.21389 
1 1 1 0   13 31 o 111.961  14.031  116.378    26.826  87.086     41.809  136.876    34.975  91.034  25.361  119.863 17.205  -28.82908      30.64578 
1 1 1 0   13 32 o 137.425  12.995  173.623    30.811  120.539    48.991  208.358    39.630  106.101 26.518  149.162 15.440  -43.06051      30.68523 
1 1 1 0   13 33 o 48.949   17.556  20.483     19.067  38.388     28.432  5.8493     25.704  63.113  21.521  44.831  18.986  18.28190       28.69920 
1 1 1 0   13 34 o 223.251  12.902  458.065    50.078  331.525    84.207  527.310    62.291  173.814 28.751  237.411 15.105  -63.59744      32.47751 
1 1 1 0   13 35 o 173.125  13.064  277.081    39.199  210.517    64.458  316.144    49.379  138.262 27.666  182.858 15.615  -44.59641      31.76840 
1 1 1 0   13 36 o 174.615  12.461  281.198    37.742  172.312    63.456  340.801    46.949  121.376 30.092  190.828 14.192  -69.45208      33.27019 
1 1 1 0   13 37 o 58.226   15.187  33.156     15.601  28.093     19.959  41.110     25.014  54.114  18.032  63.658  20.111  -9.544029      27.01119 
1 1 1 0   13 38 o 82.044   13.344  63.936     18.459  57.516     24.376  72.567     28.264  75.075  18.673  83.949  19.633  -8.873291      27.09448 
1 1 1 0   13 39 o 127.184  13.407  152.518    29.325  143.069    47.656  158.276    37.202  113.755 24.701  126.644 17.274  -12.88895      30.14182 
1 1 1 0   13 40 o 60.595   18.298  37.487     20.988  59.268     36.536  26.760     25.640  72.840  24.398  54.027  20.195  18.81312       31.67210 
1 1 1 0   13 41 o 85.722   16.676  73.649     24.061  76.832     41.945  72.088     29.375  80.566  26.106  82.148  20.535  -1.582222      33.21428 
1 1 1 0   13 42 o 63.745   18.130  42.248     21.139  79.093     39.751  27.720     24.961  81.828  25.275  53.921  19.971  27.90747       32.21309 
1 1 1 0   13 43 o 105.694  12.322  105.790    22.314  87.275     31.195  125.189    31.931  90.110  20.312  111.488 16.935  -21.37755      26.44596 
1 1 1 0   13 44 o 89.717   13.766  78.299     20.876  97.042     29.522  59.553     29.524  96.665  18.158  72.779  21.641  23.88666       28.24971 
1 1 1 0   13 45 o 56.717   16.433  33.216     17.215  26.855     23.943  40.023     24.770  52.400  19.529  60.733  20.081  -8.333008      28.01160 
1 1 1 0   13 46 o 58.499   16.475  35.694     17.545  35.062     24.735  36.334     24.891  57.183  20.046  57.988  20.121  -0.8049355     28.40270 
1 1 1 0   13 47 o 56.832   16.485  33.928     17.316  21.660     23.826  47.663     25.210  48.814  19.155  65.006  20.136  -16.19163      27.79208 
1 1 1 0   13 48 o 28.469   12.955  -5.4133    14.129  -18.9259   18.704  12.541     21.561  28.373  13.539  42.819  17.706  -14.44667      22.28952 
1 1 1 0   13 49 o 29.989   13.023  0.8747     12.669  0.7686     15.676  1.0747     21.512  32.740  14.346  37.352  16.567  -4.612217      21.91510 
1 1 1 0   14 0  o 136.212  23.277  174.527    53.373  0.0000     0.0000  174.527    53.373  ?       ?       136.212 23.277  0.000000       23.27715 
1 1 1 0   14 1  o 229.715  16.210  486.374    64.600  0.0000     0.0000  486.374    64.600  ?       ?       229.715 16.210  0.000000       16.20976 
1 1 1 0   14 2  o 249.264  17.423  577.013    75.353  485.186    108.079 663.871    105.114 217.257 29.233  261.507 23.264  -44.24988      37.35971 
1 1 1 0   14 3  f 263.997  17.597  647.888    80.650  584.661    115.861 707.325    112.334 239.775 28.214  268.835 24.190  -29.06010      37.16409 
1 1 1 0   14 4  o 135.287  12.483  165.979    29.155  171.570    36.242  155.726    49.081  136.222 15.514  125.553 23.245  10.66873       27.94612 
1 1 1 0   14 5  o 95.358   11.623  82.627     18.953  82.157     21.942  84.010     37.611  94.378  13.717  91.508  23.436  2.870209       27.15538 
1 1 1 0   14 6  o 39.913   13.642  13.453     11.425  4.6817     12.881  45.819     24.743  33.985  13.828  68.784  19.633  -34.79819      24.01357 
1 1 1 0   14 7  o 173.814  10.991  271.279    33.184  254.736    38.400  320.068    65.946  167.363 13.249  182.456 21.088  -15.09274      24.90480 
1 1 1 0   14 8  o 237.995  11.139  507.265    46.287  462.079    53.580  640.177    91.894  225.348 13.682  259.126 20.477  -33.77783      24.62739 
1 1 1 0   14 9  o 107.232  11.349  104.166    20.927  84.478     24.094  164.648    42.229  95.143  15.000  131.395 18.955  -36.25201      24.17201 
1 1 1 0   14 10 o 161.642  10.857  234.868    30.466  208.862    35.040  315.435    61.674  151.247 13.407  181.800 19.746  -30.55356      23.86764 
1 1 1 0   14 11 f 41.453   14.452  14.328     12.848  10.916     14.687  25.456     26.522  39.942  15.206  55.771  20.600  -15.82879      25.60403 
1 1 1 0   14 12 o 152.163  10.682  208.251    28.201  176.412    32.500  305.271    56.735  138.721 13.592  179.606 18.349  -40.88445      22.83491 
1 1 1 0   14 13 o 60.671   14.140  34.858     14.702  28.350     16.471  60.372     32.612  54.764  16.134  77.534  22.662  -22.77048      27.81847 
1 1 1 0   14 14 o 103.480  11.304  97.326     20.093  85.292     23.096  134.785    40.748  95.685  14.259  117.246 20.659  -21.56133      25.10229 
1 1 1 0   14 15 o 115.696  11.130  121.359    22.206  119.838    25.327  126.412    46.175  114.238 12.925  110.915 24.497  3.323074       27.69701 
1 1 1 0   14 16 o 125.942  10.684  143.335    23.273  136.922    26.760  163.240    47.147  122.215 12.727  128.145 21.855  -5.930023      25.29072 
1 1 1 0   14 17 o 170.372  10.798  261.935    31.957  241.981    36.980  320.795    63.512  162.460 13.149  181.477 20.397  -19.01711      24.26784 
1 1 1 0   14 18 o 170.775  12.725  266.789    37.670  266.789    37.670  0.0000     0.0000  170.775 12.725  ?       ?       0.000000       12.72454 
1 1 1 0   14 19 o 59.642   16.078  34.394     17.124  34.394     17.124  0.0000     0.0000  59.642  16.078  ?       ?       0.000000       16.07792 
1 1 1 0   14 20 o 107.606  13.160  107.352    24.211  107.352    24.211  0.0000     0.0000  107.606 13.160  ?       ?       0.000000       13.16034 
1 1 1 0   14 21 o 89.474   14.802  75.938     22.316  75.938     22.316  0.0000     0.0000  89.474  14.802  ?       ?       0.000000       14.80175 
1 1 1 0   14 22 o 61.558   15.616  36.829     16.811  36.829     16.811  0.0000     0.0000  61.558  15.616  ?       ?       0.000000       15.61604 
1 1 1 0   14 23 o 69.716   16.485  47.682     19.751  37.988     23.572  70.532     36.188  61.929  19.518  81.356  23.899  -19.42707      30.85650 
1 1 1 0   14 24 o 65.651   14.025  41.364     15.589  36.406     17.572  59.686     33.778  60.892  16.232  75.140  23.314  -14.24870      28.40778 
1 1 1 0   14 25 o 205.855  13.102  392.975    46.849  352.207    57.549  473.072    80.665  190.573 17.490  215.426 21.742  -24.85300      27.90401 
1 1 1 0   14 26 o 137.360  10.770  172.440    25.623  169.873    29.403  180.542    52.238  135.233 12.597  130.201 23.857  5.031784       26.97882 
1 1 1 0   14 27 o 61.013   20.811  37.267     26.585  44.020     39.795  31.824     35.728  66.314  25.081  60.000  23.482  6.314026       34.35803 
1 1 1 0   14 28 o 174.348  12.995  283.969    39.276  286.727    48.341  278.613    67.373  172.068 16.283  159.784 24.965  12.28429       29.80616 
1 1 1 0   14 29 o 50.683   18.034  23.792     20.082  57.674     41.783  13.615     22.901  72.004  25.970  45.800  18.508  26.20414       31.89014 
1 1 1 0   14 30 o 78.588   17.771  62.931     23.814  51.202     46.497  67.102     27.727  68.981  26.846  79.819  19.950  -10.83823      33.44695 
1 1 1 0   14 31 o 42.265   16.759  12.352     18.416  2.2124     39.323  15.201     20.844  49.698  22.198  45.297  17.872  4.400574       28.49848 
1 1 1 0   14 32 o 23.489   11.072  -11.5306   11.783  -16.6028   15.940  -5.4210    17.495  26.709  12.675  32.405  14.613  -5.696026      19.34417 
1 1 1 0   14 33 o 47.457   19.115  16.618     24.341  2.9981     34.540  30.054     34.307  47.137  20.946  57.178  22.811  -10.04059      30.96866 
1 1 1 0   14 34 o 104.732  20.218  117.202    35.634  63.633     46.372  194.450    55.685  72.086  27.117  128.842 25.654  -56.75679      37.32918 
1 1 1 0   14 35 o 107.591  20.712  125.473    37.498  84.840     49.699  179.178    57.137  80.023  28.381  119.858 27.835  -39.83475      39.75248 
1 1 1 0   14 36 o 50.756   18.676  24.998     21.765  7.8549     36.253  34.659     27.216  48.742  21.569  57.383  20.919  -8.641716      30.04672 
1 1 1 0   14 37 o 111.985  15.451  125.614    29.407  102.526    47.452  140.009    37.469  87.664  27.700  114.265 19.478  -26.60088      33.86276 
1 1 1 0   14 38 o 74.202   14.631  55.441     18.282  54.044     23.204  57.729     29.688  70.454  18.591  70.275  21.865  0.1796112      28.70086 
1 1 1 0   14 39 o 71.311   15.003  51.909     18.089  58.089     22.932  41.732     29.429  73.256  18.046  60.381  21.792  12.87521       28.29411 
1 1 1 0   14 40 o 101.433  12.239  99.564     21.238  81.438     28.312  122.890    32.117  85.545  19.401  107.520 17.725  -21.97509      26.27892 
1 1 1 0   14 41 o 48.102   16.161  23.885     16.030  33.868     21.240  10.673     24.434  55.401  18.603  43.037  18.378  12.36413       26.14983 
1 1 1 0   14 42 o 160.491  11.845  248.583    32.959  209.210    46.656  287.804    46.567  135.623 20.328  166.012 16.274  -30.38898      26.04012 
1 1 1 0   14 43 o 38.340   16.271  7.9206     18.939  -19.8540   23.128  64.449     32.995  31.502  15.039  70.101  23.177  -38.59898      27.62833 
1 1 1 0   15 1  o 66.348   15.151  43.173     17.167  43.173     17.167  0.0000     0.0000  66.348  15.151  ?       ?       0.000000       15.15112 
1 1 1 0   15 2  o 73.855   15.325  53.371     19.115  53.371     19.115  0.0000     0.0000  73.855  15.325  ?       ?       0.000000       15.32502 
1 1 1 0   15 3  o 76.078   16.630  57.547     21.475  57.547     21.475  0.0000     0.0000  76.078  16.630  ?       ?       0.000000       16.63023 
1 1 1 0   15 4  f 38.827   14.377  11.943     12.934  7.8713     14.814  24.993     26.523  37.217  14.940  53.682  20.434  -16.46513      25.31338 
1 1 1 0   15 5  o 120.072  12.416  134.493    25.654  130.988    30.766  142.492    46.472  116.467 15.515  114.415 24.027  2.052414       28.60058 
1 1 1 0   15 6  o 31.292   12.858  3.9715     11.276  5.1501     13.419  1.1396     20.800  34.204  14.037  38.435  16.688  -4.230961      21.80688 
1 1 1 0   15 7  o 41.548   15.369  14.070     14.775  14.950     19.175  12.785     23.177  44.584  17.271  45.608  18.552  -1.024162      25.34664 
1 1 1 0   15 8  o 69.963   16.425  48.899     19.721  45.956     24.577  54.221     33.047  66.496  19.738  70.743  23.185  -4.247269      30.44945 
1 1 1 0   15 9  o 109.739  14.359  115.268    26.854  115.403    33.594  115.030    44.693  106.718 18.711  100.681 25.419  6.037865       31.56301 
1 1 1 0   15 10 o 42.048   16.938  10.940     19.113  10.940     19.113  0.0000     0.0000  42.048  16.938  ?       ?       0.000000       16.93750 
1 1 1 0   15 11 o 69.373   20.149  50.769     25.853  50.769     25.853  0.0000     0.0000  69.373  20.149  ?       ?       0.000000       20.14915 
1 1 1 0   15 12 o 100.010  17.390  100.245    29.265  100.245    29.265  0.0000     0.0000  100.010 17.390  ?       ?       0.000000       17.39044 
1 1 1 0   15 13 o 102.312  18.302  106.428    31.495  106.428    31.495  0.0000     0.0000  102.312 18.302  ?       ?       0.000000       18.30209 
1 1 1 0   15 14 o 77.314   19.546  63.006     26.400  63.006     26.400  0.0000     0.0000  77.314  19.546  ?       ?       0.000000       19.54569 
1 1 1 0   15 15 o 240.049  16.962  569.853    70.639  569.853    70.639  0.0000     0.0000  240.049 16.962  ?       ?       0.000000       16.96245 
1 1 1 0   15 16 o 59.104   18.281  36.023     20.787  36.309     24.446  35.279     39.497  59.214  19.957  60.834  24.404  -1.620266      31.52481 
1 1 1 0   15 17 o 96.133   15.467  91.214     25.082  80.824     31.277  109.935    41.984  86.293  20.965  97.462  24.653  -11.16881      32.36233 
1 1 1 0   15 18 o 45.866   16.817  18.836     17.626  2.8334     21.869  48.508     29.779  39.452  17.121  66.314  22.022  -26.86239      27.89460 
1 1 1 0   15 19 o 138.180  17.891  194.683    42.153  194.683    42.153  0.0000     0.0000  138.180 17.891  ?       ?       0.000000       17.89143 
1 1 1 0   15 20 o 87.901   15.148  76.696     22.410  76.696     22.410  0.0000     0.0000  87.901  15.148  ?       ?       0.000000       15.14782 
1 1 1 0   15 21 o 91.528   12.367  80.016     19.258  77.226     22.015  89.113     39.745  88.334  14.797  85.843  24.997  2.490723       29.04826 
1 1 1 0   15 22 o 118.887  11.284  132.740    23.143  126.288    26.474  153.648    47.656  114.228 13.537  114.435 24.583  -0.2069244     28.06388 
1 1 1 0   15 23 f 58.425   15.294  34.830     15.785  24.148     17.640  77.760     35.363  49.311  16.949  80.809  23.593  -31.49790      29.04941 
1 1 1 0   15 24 o 98.839   12.111  93.381     20.464  95.670     23.348  85.795     42.502  98.740  13.929  81.606  26.261  17.13412       29.72675 
1 1 1 0   15 25 o 80.579   16.113  66.730     21.878  52.045     26.682  96.861     38.219  67.752  20.670  89.541  23.970  -21.78938      31.65149 
1 1 1 0   15 26 o 51.362   17.352  27.229     18.481  32.119     22.718  17.661     31.777  54.930  19.214  49.695  21.082  5.235783       28.52386 
1 1 1 0   15 27 o 81.913   21.373  77.738     30.892  56.366     47.769  93.100     40.500  66.141  26.730  85.091  25.356  -18.94993      36.84333 
1 1 1 0   15 28 o 61.165   21.411  43.396     28.214  6.7081     42.821  71.541     37.505  49.680  22.586  74.416  24.715  -24.73662      33.48063 
1 1 1 0   15 29 f 98.005   20.284  108.449    33.567  112.189    50.703  105.530    44.788  87.220  28.725  87.757  26.782  -0.5364990     39.27351 
1 1 1 0   15 30 f 56.854   20.777  36.815     26.871  62.555     44.542  22.088     33.692  67.248  26.247  50.954  21.665  16.29423       34.03351 
1 1 1 0   15 31 o 72.747   22.018  65.311     30.362  56.325     48.806  70.985     38.780  63.900  26.549  72.040  25.109  -8.139454      36.54179 
1 1 1 0   15 32 o 66.595   16.173  47.665     18.619  41.025     26.052  54.597     26.620  58.789  20.575  67.318  20.665  -8.528549      29.16141 
1 1 1 0   15 33 o 44.604   16.131  20.056     16.137  31.172     21.874  6.7838     23.901  52.715  18.814  40.526  17.737  12.18876       25.85697 
1 1 1 0   15 34 o 41.549   15.684  16.350     15.543  8.5622     20.739  26.329     23.476  39.421  16.885  49.526  19.131  -10.10488      25.51678 
1 1 1 0   15 35 o 51.869   18.604  30.768     21.413  45.231     39.640  24.810     25.444  58.025  24.002  48.669  19.564  9.356400       30.96569 
1 1 1 0   16 0  o 204.684  24.144  439.369    84.628  439.369    84.628  0.0000     0.0000  204.684 24.144  ?       ?       0.000000       24.14401 
1 1 1 0   16 1  o 86.242   15.265  76.267     22.146  76.267     22.146  0.0000     0.0000  86.242  15.265  ?       ?       0.000000       15.26494 
1 1 1 0   16 2  o 98.638   14.008  97.190     23.448  97.190     23.448  0.0000     0.0000  98.638  14.008  ?       ?       0.000000       14.00828 
1 1 1 0   16 3  o 107.434  14.369  115.849    26.279  115.849    26.279  0.0000     0.0000  107.434 14.369  ?       ?       0.000000       14.36899 
1 1 1 0   16 4  o 54.169   16.663  31.326     17.296  31.326     17.296  0.0000     0.0000  54.169  16.663  ?       ?       0.000000       16.66269 
1 1 1 0   16 5  o 110.951  13.403  121.607    25.439  121.607    25.439  0.0000     0.0000  110.951 13.403  ?       ?       0.000000       13.40309 
1 1 1 0   16 6  o 58.222   16.283  36.197     17.201  36.197     17.201  0.0000     0.0000  58.222  16.283  ?       ?       0.000000       16.28315 
1 1 1 0   16 7  o 65.203   19.754  49.028     24.431  49.028     24.431  0.0000     0.0000  65.203  19.754  ?       ?       0.000000       19.75366 
1 1 1 0   16 8  o 64.583   16.415  44.661     18.549  54.080     23.392  28.704     30.447  69.241  18.844  52.923  21.357  16.31851       28.48189 
1 1 1 0   16 9  o 86.741   13.167  74.676     19.316  73.229     22.334  78.974     38.482  83.710  15.860  76.660  25.014  7.049675       29.61864 
1 1 1 0   16 10 o 60.193   14.760  37.711     15.395  24.653     17.920  74.494     30.076  48.655  17.062  78.882  21.326  -30.22778      27.31127 
1 1 1 0   16 11 o 24.597   11.165  -4.1557    10.413  5.2350     11.554  -44.7823   24.032  31.585  13.001  27.249  13.496  4.336117       18.73957 
1 1 1 0   16 12 o 57.973   15.050  35.361     15.368  39.603     17.802  22.953     30.444  60.500  16.428  50.026  20.892  10.47324       26.57754 
1 1 1 0   16 13 o 157.741  11.244  238.372    30.766  211.026    35.586  319.301    61.218  144.555 14.286  164.340 21.878  -19.78441      26.12891 
1 1 1 0   16 14 o 134.268  10.828  172.047    25.170  162.537    28.804  202.765    51.767  128.069 13.064  126.798 24.266  1.270866       27.55902 
1 1 1 0   16 15 o 30.596   12.861  3.8286     11.652  -4.3765    12.368  68.617     34.755  26.740  12.150  71.561  23.793  -44.82072      26.71540 
1 1 1 0   16 16 o 40.554   14.899  15.582     13.843  12.151     14.941  36.395     36.800  38.485  15.148  55.685  23.088  -17.20036      27.61342 
1 1 1 0   16 17 o 117.246  12.250  135.227    24.707  125.292    27.950  170.744    52.848  109.956 14.945  108.709 27.748  1.247459       31.51707 
1 1 1 0   16 18 o 39.051   15.023  13.505     14.429  9.6918     16.003  30.084     33.369  37.344  15.328  52.455  21.886  -15.11103      26.72003 
1 1 1 0   16 19 o 37.741   14.696  12.107     13.939  22.437     15.039  -50.8935   37.140  46.077  15.652  34.399  16.989  11.67822       23.10059 
1 1 1 0   16 20 o 93.883   12.961  88.841     20.680  69.098     23.003  172.065    47.228  78.697  17.219  113.911 24.474  -35.21451      29.92459 
1 1 1 0   16 21 o 82.590   16.117  74.180     22.408  70.309     26.532  83.811     41.848  76.277  19.761  73.230  26.035  3.046906       32.68563 
1 1 1 0   16 22 o 42.407   16.196  17.768     16.695  31.399     19.220  -24.1166   33.692  52.171  17.695  36.553  17.632  15.61826       24.97973 
1 1 1 0   16 23 o 100.592  15.359  108.417    26.122  120.596    31.766  82.980     45.907  102.146 18.492  69.542  26.784  32.60376       32.54690 
1 1 1 0   16 24 o 74.472   16.880  62.882     21.443  60.837     25.875  67.364     38.315  69.242  20.171  65.635  24.657  3.606598       31.85649 
1 1 1 1   0  0  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 1   0  1  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 1   0  2  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 1   0  3  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 1   0  4  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 1   0  5  o 481.081  21.899  2036.09    183.086 2036.09    183.086 2036.09    183.086 481.081 21.899  481.081 21.899  0.000000       0.000000 
1 1 1 1   0  6  o 396.778  19.253  1385.72    132.670 1385.72    132.670 1385.72    132.670 396.778 19.253  396.778 19.253  0.000000       0.000000 
1 1 1 1   0  7  o 367.241  18.549  1187.70    118.248 1187.70    118.248 1187.70    118.248 367.241 18.549  367.241 18.549  0.000000       0.000000 
1 1 1 1   0  8  o 557.985  24.316  2738.79    235.883 2738.79    235.883 2738.79    235.883 557.985 24.316  557.985 24.316  0.000000       0.000000 
1 1 1 1   0  9  o 426.140  20.249  1598.22    149.889 1598.22    149.889 1598.22    149.889 426.140 20.249  426.140 20.249  0.000000       0.000000 
1 1 1 1   0  10 f 1198.81  46.600  12694.25   972.087 12694.25   972.087 12694.25   972.087 1198.81 46.600  1198.81 46.600  0.000000       0.000000 
1 1 1 1   0  11 o 991.679  39.282  8670.89    677.753 8670.89    677.753 8670.89    677.753 991.679 39.282  991.679 39.282  0.000000       0.000000 
1 1 1 1   0  12 o 421.072  20.005  1560.50    146.326 1560.50    146.326 1560.50    146.326 421.072 20.005  421.072 20.005  0.000000       0.000000 
1 1 1 1   0  13 o 249.008  15.605  548.139    67.239  548.139    67.239  548.139    67.239  249.008 15.605  249.008 15.605  0.000000       0.000000 
1 1 1 1   0  14 o 574.147  35.569  2924.03    353.442 2924.03    353.442 2924.03    353.442 574.147 35.569  574.147 35.569  0.000000       0.000000 
1 1 1 1   0  15 o 363.464  26.487  1174.58    166.046 1174.58    166.046 1174.58    166.046 363.464 26.487  363.464 26.487  0.000000       0.000000 
1 1 1 1   0  16 o 1367.22  76.640  16840.81   1816.46 16840.81   1816.46 16840.81   1816.46 1367.22 76.640  1367.22 76.640  0.000000       0.000000 
1 1 1 1   0  17 o 1135.30  44.546  11394.12   879.950 11394.12   879.950 11394.12   879.950 1135.30 44.546  1135.30 44.546  0.000000       0.000000 
1 1 1 1   0  18 o 474.097  21.636  1978.37    178.254 1978.37    178.254 1978.37    178.254 474.097 21.636  474.097 21.636  0.000000       0.000000 
1 1 1 1   0  19 o 665.596  27.718  3900.96    320.863 3900.96    320.863 3900.96    320.863 665.596 27.718  665.596 27.718  0.000000       0.000000 
1 1 1 1   0  20 o 1302.71  50.853  15064.59   1152.73 15064.59   1152.73 15064.59   1152.73 1302.71 50.853  1302.71 50.853  0.000000       0.000000 
1 1 1 1   0  21 o 170.786  14.281  260.204    41.902  260.204    41.902  260.204    41.902  170.786 14.281  170.786 14.281  0.000000       0.000000 
1 1 1 1   0  22 o 353.457  18.216  1101.34    111.740 1101.34    111.740 1101.34    111.740 353.457 18.216  353.457 18.216  0.000000       0.000000 
1 1 1 1   0  23 o 161.592  13.655  233.063    37.893  233.063    37.893  233.063    37.893  161.592 13.655  161.592 13.655  0.000000       0.000000 
1 1 1 1   0  24 o 608.002  26.021  3259.68    275.093 3259.68    275.093 3259.68    275.093 608.002 26.021  608.002 26.021  0.000000       0.000000 
1 1 1 1   0  25 o 518.107  33.149  2391.65    297.072 2391.65    297.072 2391.65    297.072 518.107 33.149  518.107 33.149  0.000000       0.000000 
1 1 1 1   0  26 o 99.028   22.762  98.309     34.269  98.309     34.269  98.309     34.269  99.028  22.762  99.028  22.762  0.000000       0.000000 
1 1 1 1   0  27 o 273.759  23.418  671.891    110.055 671.891    110.055 671.891    110.055 273.759 23.418  273.759 23.418  0.000000       0.000000 
1 1 1 1   0  28 o 648.296  39.483  3770.52    443.135 3770.52    443.135 3770.52    443.135 648.296 39.483  648.296 39.483  0.000000       0.000000 
1 1 1 1   0  29 o 111.508  14.164  113.938    26.365  113.938    26.365  113.938    26.365  111.508 14.164  111.508 14.164  0.000000       0.000000 
1 1 1 1   0  30 o 66.714   23.442  51.194     24.766  51.194     24.766  51.194     24.766  66.714  23.442  66.714  23.442  0.000000       0.000000 
1 1 1 1   0  31 o 320.863  17.432  910.569    97.004  910.569    97.004  910.569    97.004  320.863 17.432  320.863 17.432  0.000000       0.000000 
1 1 1 1   0  32 o 158.503  14.241  225.244    38.682  225.244    38.682  225.244    38.682  158.503 14.241  158.503 14.241  0.000000       0.000000 
1 1 1 1   0  33 o 748.497  31.041  4988.06    404.097 4988.06    404.097 4988.06    404.097 748.497 31.041  748.497 31.041  0.000000       0.000000 
1 1 1 1   0  34 o 566.225  24.807  2841.16    244.187 2841.16    244.187 2841.16    244.187 566.225 24.807  566.225 24.807  0.000000       0.000000 
1 1 1 1   0  35 o 317.865  17.271  893.674    95.210  893.674    95.210  893.674    95.210  317.865 17.271  317.865 17.271  0.000000       0.000000 
1 1 1 1   0  36 o 359.526  26.542  1157.65    164.535 1157.65    164.535 1157.65    164.535 359.526 26.542  359.526 26.542  0.000000       0.000000 
1 1 1 1   0  37 o 81.478   23.765  71.263     29.356  71.263     29.356  71.263     29.356  81.478  23.765  81.478  23.765  0.000000       0.000000 
1 1 1 1   0  38 o 475.745  31.392  2024.59    258.161 2024.59    258.161 2024.59    258.161 475.745 31.392  475.745 31.392  0.000000       0.000000 
1 1 1 1   0  39 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 1   0  40 o 329.350  17.245  957.822    98.550  957.822    98.550  957.822    98.550  329.350 17.245  329.350 17.245  0.000000       0.000000 
1 1 1 1   0  41 o 676.970  28.280  4056.46    332.958 4056.46    332.958 4056.46    332.958 676.970 28.280  676.970 28.280  0.000000       0.000000 
1 1 1 1   0  42 o 267.030  15.842  630.744    73.268  630.744    73.268  630.744    73.268  267.030 15.842  267.030 15.842  0.000000       0.000000 
1 1 1 1   0  43 o 643.187  26.902  3659.30    300.926 3659.30    300.926 3659.30    300.926 643.187 26.902  643.187 26.902  0.000000       0.000000 
1 1 1 1   0  44 o 24.373   14.039  6.4662     9.5976  6.4662     9.5976  6.4662     9.5976  24.373  14.039  24.373  14.039  0.000000       0.000000 
1 1 1 1   0  45 o 330.347  17.071  963.596    97.866  963.596    97.866  963.596    97.866  330.347 17.071  330.347 17.071  0.000000       0.000000 
1 1 1 1   0  46 o 85.756   31.309  86.203     43.204  86.203     43.204  86.203     43.204  85.756  31.309  85.756  31.309  0.000000       0.000000 
1 1 1 1   0  47 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 1   0  48 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 1   0  49 o 141.534  22.534  188.760    51.458  188.760    51.458  188.760    51.458  141.534 22.534  141.534 22.534  0.000000       0.000000 
1 1 1 1   0  50 o 676.629  41.251  4143.57    483.204 4143.57    483.204 4143.57    483.204 676.629 41.251  676.629 41.251  0.000000       0.000000 
1 1 1 1   0  51 o ?        ?       -62.0532   5.9982  -62.0532   5.9982  -62.0532   5.9982  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 1   0  52 o 168.117  23.186  262.558    64.374  262.558    64.374  262.558    64.374  168.117 23.186  168.117 23.186  0.000000       0.000000 
1 1 1 1   0  53 o 150.129  15.849  204.168    40.487  204.168    40.487  204.168    40.487  150.129 15.849  150.129 15.849  0.000000       0.000000 
1 1 1 1   0  54 o 156.336  16.773  221.834    44.454  221.834    44.454  221.834    44.454  156.336 16.773  156.336 16.773  0.000000       0.000000 
1 1 1 1   0  55 o 502.440  22.097  2241.11    193.004 2241.11    193.004 2241.11    193.004 502.440 22.097  502.440 22.097  0.000000       0.000000 
1 1 1 1   0  56 o 182.683  15.855  299.688    49.698  299.688    49.698  299.688    49.698  182.683 15.855  182.683 15.855  0.000000       0.000000 
1 1 1 1   0  57 o 32.586   20.088  7.2653     22.341  7.2653     22.341  7.2653     22.341  32.586  20.088  32.586  20.088  0.000000       0.000000 
1 1 1 1   0  58 o 210.502  25.037  410.225    88.590  410.225    88.590  410.225    88.590  210.502 25.037  210.502 25.037  0.000000       0.000000 
1 1 1 1   0  59 o 357.144  27.610  1163.84    169.811 1163.84    169.811 1163.84    169.811 357.144 27.610  357.144 27.610  0.000000       0.000000 
1 1 1 1   0  60 o 345.597  27.331  1094.44    162.556 1094.44    162.556 1094.44    162.556 345.597 27.331  345.597 27.331  0.000000       0.000000 
1 1 1 1   0  61 o 361.456  17.425  1165.53    109.393 1165.53    109.393 1165.53    109.393 361.456 17.425  361.456 17.425  0.000000       0.000000 
1 1 1 1   0  62 o 104.728  19.925  107.271    32.602  107.271    32.602  107.271    32.602  104.728 19.925  104.728 19.925  0.000000       0.000000 
1 1 1 1   0  63 o 34.000   20.888  8.9388     23.975  8.9388     23.975  8.9388     23.975  34.000  20.888  34.000  20.888  0.000000       0.000000 
1 1 1 1   0  64 o 37.329   21.680  15.819     23.183  15.819     23.183  15.819     23.183  37.329  21.680  37.329  21.680  0.000000       0.000000 
1 1 1 1   0  65 o 39.702   23.388  17.436     27.623  17.436     27.623  17.436     27.623  39.702  23.388  39.702  23.388  0.000000       0.000000 
1 1 1 1   0  66 o 55.526   25.440  41.268     26.930  41.268     26.930  41.268     26.930  55.526  25.440  55.526  25.440  0.000000       0.000000 
1 1 1 1   0  67 o 137.342  18.251  178.977    41.607  178.977    41.607  178.977    41.607  137.342 18.251  137.342 18.251  0.000000       0.000000 
1 1 1 1   0  68 o 14.870   10.899  -47.2053   18.347  -47.2053   18.347  -47.2053   18.347  14.870  10.899  14.870  10.899  0.000000       0.000000 
1 1 1 1   0  69 o 57.280   29.678  48.120     38.340  48.120     38.340  48.120     38.340  57.280  29.678  57.280  29.678  0.000000       0.000000 
1 1 1 1   0  70 o 37.717   23.673  11.320     32.469  11.320     32.469  11.320     32.469  37.717  23.673  37.717  23.673  0.000000       0.000000 
1 1 1 1   0  71 o 82.503   32.760  93.617     45.537  93.617     45.537  93.617     45.537  82.503  32.760  82.503  32.760  0.000000       0.000000 
1 1 1 1   0  72 o 37.593   22.859  15.884     28.053  15.884     28.053  15.884     28.053  37.593  22.859  37.593  22.859  0.000000       0.000000 
1 1 1 1   0  73 o 182.596  17.135  318.819    53.524  318.819    53.524  318.819    53.524  182.596 17.135  182.596 17.135  0.000000       0.000000 
1 1 1 1   0  74 f 47.789   25.431  35.031     28.727  35.031     28.727  35.031     28.727  47.789  25.431  47.789  25.431  0.000000       0.000000 
1 1 1 1   0  75 o 28.513   18.907  -1.4655    24.862  -1.4655    24.862  -1.4655    24.862  28.513  18.907  28.513  18.907  0.000000       0.000000 
1 1 1 1   0  76 f 44.301   25.363  31.080     31.025  31.080     31.025  31.080     31.025  44.301  25.363  44.301  25.363  0.000000       0.000000 
1 1 1 1   0  77 o 123.582  21.240  163.611    41.769  163.611    41.769  163.611    41.769  123.582 21.240  123.582 21.240  0.000000       0.000000 
1 1 1 1   1  0  o 1185.81  46.162  12439.46   955.794 12358.27   1351.68 12520.65   1351.71 1172.06 66.320  1179.99 65.869  -7.927856      93.47256 
1 1 1 1   1  1  o 640.502  27.026  3597.95    302.254 3780.37    427.443 3415.51    427.459 654.099 37.584  621.208 39.615  32.89063       54.60698 
1 1 1 1   1  2  o 295.088  13.207  761.047    68.049  708.766    83.339  865.638    117.876 284.175 16.871  313.682 21.654  -29.50681      27.45080 
1 1 1 1   1  3  o 719.213  23.948  4532.30    300.736 4631.68    368.326 4333.54    520.890 726.438 29.038  699.221 42.872  27.21790       51.78030 
1 1 1 1   1  4  o 883.795  24.840  6846.00    383.327 6972.40    542.106 6719.59    542.105 890.230 34.875  873.814 35.531  16.41559       49.78669 
1 1 1 1   1  5  o 1536.24  47.825  20905.82   1282.84 20524.42   1571.16 21668.61   2221.96 1516.26 59.345  1539.91 82.943  -23.65149      101.9873 
1 1 1 1   1  6  o 592.821  17.605  3074.32    182.232 2948.76    257.712 3199.88    257.718 579.958 25.449  604.246 24.427  -24.28876      35.27520 
1 1 1 1   1  7  f 526.960  16.343  2428.54    150.372 2367.01    212.657 2490.07    212.659 519.763 23.432  533.151 22.844  -13.38800      32.72470 
1 1 1 1   1  8  o 840.272  23.696  6187.08    347.655 5986.96    491.657 6387.20    491.661 824.929 34.134  852.263 33.039  -27.33392      47.50471 
1 1 1 1   1  9  o 1152.48  31.328  11672.26   630.413 11715.42   891.538 11629.10   891.538 1150.81 44.368  1146.51 44.535  4.304199       62.86397 
1 1 1 1   1  10 o 970.891  27.029  8270.58    458.204 8486.84    648.001 8054.33    647.996 981.170 37.824  955.591 38.836  25.57928       54.21177 
1 1 1 1   1  11 o 652.299  19.188  3724.24    218.542 3675.74    309.065 3772.74    309.066 647.186 27.350  655.714 26.994  -8.527893      38.42812 
1 1 1 1   1  12 o 588.588  20.248  3033.31    208.090 2598.16    360.395 3250.93    254.867 541.388 38.373  608.981 23.969  -67.59290      45.24405 
1 1 1 1   1  13 o 163.231  11.094  233.897    31.431  284.843    54.462  208.454    38.488  179.572 17.596  153.723 14.511  25.84843       22.80718 
1 1 1 1   1  14 o 891.052  35.580  6996.91    553.575 7013.09    782.857 6980.73    782.889 886.438 50.791  884.334 50.917  2.103638       71.91800 
1 1 1 1   1  15 o 490.881  17.859  2108.83    153.070 1988.72    187.463 2349.12    265.151 476.354 22.538  516.178 29.542  -39.82428      37.15780 
1 1 1 1   1  16 o 264.725  12.805  612.608    59.189  601.276    72.488  635.277    102.530 261.690 15.940  268.339 22.079  -6.649872      27.23155 
1 1 1 1   1  17 o 516.686  18.575  2337.26    167.580 2480.76    205.248 2050.31    290.242 532.001 22.096  481.022 34.791  50.97903       41.21480 
1 1 1 1   1  18 o 1080.48  34.396  10295.71   648.918 10266.87   794.763 10353.40   1123.95 1076.20 42.294  1070.83 60.358  5.371094       73.70182 
1 1 1 1   1  19 o 411.551  13.871  1481.27    99.675  1417.67    140.954 1544.88    140.969 402.237 20.069  419.959 19.224  -17.72211      27.79124 
1 1 1 1   1  20 o 748.007  21.558  4906.53    281.569 4755.11    398.195 5057.96    398.202 734.627 31.043  757.869 30.092  -23.24243      43.23411 
1 1 1 1   1  21 o 894.938  25.176  7037.92    393.404 7266.45    556.364 6809.39    556.351 906.568 35.148  877.219 36.323  29.34900       50.54396 
1 1 1 1   1  22 o 581.896  17.600  2966.38    178.820 2925.22    252.888 3007.55    252.891 576.813 25.109  584.931 24.761  -8.117798      35.26423 
1 1 1 1   1  23 o 166.756  9.8154  243.899    28.453  240.369    40.212  247.439    40.266  165.131 14.081  167.581 13.886  -2.450012      19.77627 
1 1 1 1   1  24 o 402.007  15.688  1415.67    110.122 1266.87    134.862 1713.42    190.766 379.306 20.438  440.456 24.907  -61.14987      32.21912 
1 1 1 1   1  25 o 522.613  18.800  2397.48    171.553 2297.85    210.104 2596.74    297.151 510.852 23.555  540.342 31.633  -29.48978      39.43957 
1 1 1 1   1  26 o 133.011  13.578  156.548    31.092  140.229    43.947  172.901    43.994  124.607 20.942  139.106 18.577  -14.49949      27.99383 
1 1 1 1   1  27 o 272.699  12.977  651.315    61.789  732.810    107.064 610.617    75.660  287.681 21.469  263.268 16.543  24.41342       27.10327 
1 1 1 1   1  28 o 131.577  11.119  152.614    25.305  118.814    43.811  169.535    30.999  114.064 22.795  138.505 12.969  -24.44099      26.22559 
1 1 1 1   1  29 o 650.513  22.353  3737.28    253.897 3723.96    439.784 3743.94    310.952 640.512 39.516  649.211 27.431  -8.699646      48.10411 
1 1 1 1   1  30 o 396.098  13.606  1376.09    94.098  1410.35    133.090 1341.85    133.059 400.111 19.050  389.691 19.618  10.42044       27.34560 
1 1 1 1   1  31 o 625.586  18.553  3448.09    202.660 3731.91    286.630 3164.37    286.579 648.282 25.322  596.041 27.536  52.24164       37.40913 
1 1 1 1   1  32 o 239.979  10.728  504.386    44.952  531.583    63.594  477.227    63.550  245.559 14.902  232.480 15.748  13.07848       21.68155 
1 1 1 1   1  33 o 180.154  9.7319  284.921    30.499  300.868    43.456  269.440    42.817  184.675 13.572  174.623 14.165  10.05162       19.61701 
1 1 1 1   1  34 f 466.892  14.568  1914.11    118.761 2135.16    168.066 1693.66    167.842 491.981 19.564  437.028 22.067  54.95288       29.49069 
1 1 1 1   1  35 o 86.802   11.037  67.040     16.350  88.416     28.429  56.475     19.987  98.883  17.083  78.903  15.057  19.97958       22.77143 
1 1 1 1   1  36 o 223.006  11.873  436.892    46.065  375.221    79.513  468.048    56.515  204.841 22.608  230.556 14.107  -25.71454      26.64779 
1 1 1 1   1  37 o 543.190  19.260  2597.54    182.673 2496.56    316.332 2648.06    223.752 526.638 34.593  547.362 23.412  -20.72400      41.77069 
1 1 1 1   1  38 o 511.849  18.184  2302.79    162.517 2408.45    199.108 2091.91    281.300 522.686 21.817  482.863 33.573  39.82358       40.03896 
1 1 1 1   1  39 o 59.712   12.905  32.434     13.062  25.967     16.848  42.177     20.681  54.236  16.398  68.014  17.357  -13.77815      23.87812 
1 1 1 1   1  40 o 646.847  21.574  3684.90    243.671 3941.36    298.506 3172.70    421.852 667.795 25.600  592.227 41.048  75.56812       48.37720 
1 1 1 1   1  41 o 155.100  11.210  211.597    30.155  220.379    37.278  194.973    51.289  158.025 13.644  147.495 20.466  10.52937       24.59758 
1 1 1 1   1  42 o 477.219  17.123  1998.98    142.683 2099.36    174.846 1798.89    246.865 488.485 20.499  448.727 31.712  39.75748       37.76056 
1 1 1 1   1  43 o 368.217  14.588  1188.39    93.789  1201.47    114.985 1162.40    162.114 369.879 17.804  361.758 25.835  8.120911       31.37549 
1 1 1 1   1  44 o 418.630  15.405  1536.93    112.605 1446.00    194.669 1582.66    138.043 403.091 27.829  424.370 18.630  -21.27927      33.48921 
1 1 1 1   1  45 o 358.109  14.865  1124.46    92.951  1051.48    160.852 1161.04    113.893 343.572 27.031  363.529 17.943  -19.95755      32.44445 
1 1 1 1   1  46 o 107.741  15.349  103.848    28.058  112.193    41.726  96.960     37.909  110.863 22.328  102.985 21.763  7.877777       31.17913 
1 1 1 1   1  47 o 170.406  14.942  256.631    44.011  267.420    64.307  247.126    60.361  172.832 21.794  166.136 21.298  6.695755       30.47301 
1 1 1 1   1  48 o 185.225  12.026  301.728    38.683  333.821    48.601  246.254    63.898  194.573 14.408  165.526 22.707  29.04688       26.89199 
1 1 1 1   1  49 o 342.693  14.552  1030.26    87.072  961.947    150.896 1064.36    106.612 328.273 26.553  347.488 17.629  -19.21533      31.87243 
1 1 1 1   1  50 o 126.103  12.828  140.806    27.852  134.023    48.481  144.147    34.027  121.046 23.786  127.178 15.654  -6.132683      28.47507 
1 1 1 1   1  51 o 396.123  18.156  1381.45    125.575 0.0000     0.0000  1381.45    125.575 ?       ?       396.123 18.156  0.000000       18.15562 
1 1 1 1   1  52 o 248.325  12.877  542.225    55.642  570.718    97.367  528.407    67.805  253.039 22.264  244.662 15.959  8.377472       27.39341 
1 1 1 1   1  53 o 96.564   17.827  84.712     28.950  96.458     60.800  81.268     32.922  103.132 31.144  94.111  20.606  9.021660       37.34371 
1 1 1 1   1  54 o 170.106  13.888  255.816    40.889  274.930    53.256  228.368    63.819  175.751 17.590  158.674 23.766  17.07729       29.56764 
1 1 1 1   1  55 o 489.907  17.529  2117.40    149.948 2367.55    185.012 1638.51    255.986 517.052 20.493  423.201 34.955  93.85156       40.51939 
1 1 1 1   1  56 f 281.230  16.699  700.099    81.634  888.707    119.034 532.627    112.166 315.554 21.737  242.340 26.965  73.21393       34.63519 
1 1 1 1   1  57 o 72.399   21.879  47.073     29.998  5.8687     55.558  64.029     35.640  66.241  27.976  83.510  23.468  -17.26888      36.51553 
1 1 1 1   1  58 o 178.828  12.808  282.728    39.727  315.670    70.425  267.352    48.113  186.861 22.007  173.238 16.090  13.62294       27.26113 
1 1 1 1   1  59 o 305.940  13.514  825.023    72.189  887.811    124.854 793.492    88.477  313.799 22.946  298.738 17.033  15.06061       28.57678 
1 1 1 1   1  60 o 99.392   16.415  89.843     27.493  104.283    31.990  49.034     53.778  106.939 17.755  79.985  29.368  26.95408       34.31777 
1 1 1 1   1  61 o 49.525   18.222  17.633     20.718  11.172     23.369  41.367     44.789  47.527  18.868  73.318  26.819  -25.79114      32.79150 
1 1 1 1   1  62 f 454.411  15.836  1838.27    125.646 1694.20    153.425 2131.66    218.946 433.577 20.266  480.749 26.182  -47.17194      33.10861 
1 1 1 1   1  63 o 350.724  11.380  1086.38    69.687  1055.14    98.030  1118.30    99.084  343.552 16.342  353.839 16.037  -10.28690      22.89670 
1 1 1 1   1  64 o 215.801  10.508  411.143    39.596  408.531    54.577  414.046    57.534  213.500 14.730  214.666 15.453  -1.165726      21.34895 
1 1 1 1   1  65 o 318.302  11.922  899.048    66.257  855.343    93.129  943.845    94.286  307.219 17.433  323.206 16.765  -15.98685      24.18600 
1 1 1 1   1  66 o 68.834   16.754  44.518     19.946  68.068     27.530  18.495     28.939  84.762  19.063  54.293  21.166  30.46984       28.48503 
1 1 1 1   1  67 o 68.153   18.449  44.029     22.492  34.689     27.029  65.063     40.559  62.361  20.985  81.979  25.565  -19.61885      33.07494 
1 1 1 1   1  68 o 59.906   18.114  33.500     20.557  31.514     25.402  37.270     34.995  59.650  20.342  65.923  23.768  -6.272968      31.28472 
1 1 1 1   1  69 o 37.735   15.809  3.3547     17.510  4.7518     21.587  0.6670     29.941  41.970  17.565  46.555  20.118  -4.584942      26.70720 
1 1 1 1   1  70 o 47.947   17.604  18.059     19.323  2.8174     26.740  34.717     27.954  44.902  19.201  61.822  21.331  -16.92081      28.70019 
1 1 1 1   1  71 o 55.723   18.381  28.619     20.758  42.461     29.597  15.219     29.122  66.488  21.949  51.646  20.871  14.84228       30.28781 
1 1 1 1   1  72 o 163.874  15.997  251.650    45.189  125.358    57.940  447.764    72.202  106.079 29.962  215.725 19.375  -109.6462      35.68079 
1 1 1 1   1  73 o 62.376   17.743  38.081     20.244  31.114     28.331  45.350     28.938  58.874  21.361  67.466  21.665  -8.592445      30.42476 
1 1 1 1   1  74 o 201.714  11.325  370.208    39.725  370.385    57.165  370.042    55.243  197.118 16.768  197.622 16.151  -0.5034485     23.28127 
1 1 1 1   1  75 o 78.648   20.183  63.523     27.854  64.972     60.059  63.126     31.440  77.654  30.431  77.476  22.137  0.1779327      37.63053 
1 1 1 1   1  76 o 59.317   17.530  35.120     19.419  38.244     26.942  31.742     28.015  61.687  20.950  58.014  21.212  3.672955       29.81391 
1 1 1 1   1  77 o 103.859  17.132  107.136    29.984  118.924    54.772  102.091    35.830  97.838  29.563  98.000  21.528  -0.1619263     36.57084 
1 1 1 1   2  0  o 1626.01  50.849  23477.38   1443.68 24436.27   1768.14 21559.60   2500.53 1652.61 61.275  1524.72 94.388  127.8811       112.5336 
1 1 1 1   2  1  o 200.888  9.8823  352.551    34.664  378.007    49.022  327.095    49.022  207.510 13.605  192.869 14.667  14.64119       20.00522 
1 1 1 1   2  2  o 1216.84  33.452  13023.43   710.745 12723.63   1005.14 13323.24   1005.15 1198.05 48.050  1226.38 46.940  -28.32898      67.17237 
1 1 1 1   2  3  o 381.201  13.161  1270.12    87.600  1160.05    123.880 1380.20    123.890 363.529 19.589  397.184 17.864  -33.65442      26.51121 
1 1 1 1   2  4  o 861.371  24.236  6503.25    364.521 6828.26    515.514 6178.25    515.507 881.049 33.510  837.731 35.243  43.31805       48.63102 
1 1 1 1   2  5  o 1376.35  37.364  16695.22   897.925 15885.50   1269.85 17504.96   1269.86 1335.52 54.456  1403.24 51.828  -67.73022      75.17645 
1 1 1 1   2  6  o 679.941  19.502  4046.76    231.539 3990.40    327.443 4103.12    327.448 674.282 27.812  683.789 27.426  -9.506897      39.05981 
1 1 1 1   2  7  o 457.577  14.837  1830.73    118.541 1835.64    167.642 1825.82    167.643 457.841 20.970  456.612 21.027  1.229797       29.69660 
1 1 1 1   2  8  o 356.423  12.661  1110.34    78.797  1246.67    111.440 974.028    111.430 377.505 16.907  333.031 19.245  44.47375       25.61620 
1 1 1 1   2  9  f 297.870  11.553  775.356    60.089  799.983    84.975  750.726    84.982  301.996 16.174  292.474 16.710  9.521484       23.25550 
1 1 1 1   2  10 o 330.536  14.030  955.195    80.974  989.758    140.240 937.909    99.177  335.138 24.127  326.943 17.436  8.195892       29.76771 
1 1 1 1   2  11 o 554.168  19.487  2688.66    188.560 2718.42    326.576 2673.78    230.944 554.644 33.884  552.236 23.951  2.407410       41.49421 
1 1 1 1   2  12 o 1137.59  36.388  11411.39   722.780 11639.25   1251.87 11297.46   885.227 1135.88 63.372  1128.97 44.907  6.912598       77.67003 
1 1 1 1   2  13 o 402.296  15.815  1415.68    111.092 1370.45    136.051 1506.19    192.440 395.605 19.696  413.353 26.808  -17.74805      33.26537 
1 1 1 1   2  14 o 1046.01  33.499  9637.65    611.832 9380.38    749.327 10152.23   1059.75 1029.45 41.687  1063.10 57.303  -33.65320      70.86208 
1 1 1 1   2  15 o 278.340  12.909  677.295    62.736  640.899    76.825  750.145    108.689 270.153 16.364  291.791 21.484  -21.63806      27.00636 
1 1 1 1   2  16 o 473.332  17.515  1961.14    144.757 2064.37    177.293 1754.69    250.720 485.358 20.920  445.149 32.481  40.20929       38.63508 
1 1 1 1   2  17 o 398.941  13.665  1391.82    95.190  1393.57    134.621 1390.06    134.618 398.858 19.330  398.353 19.354  0.5043640      27.35376 
1 1 1 1   2  18 o 490.931  15.607  2109.01    133.780 2092.07    189.192 2125.94    189.194 488.381 22.186  492.337 22.008  -3.956177      31.25030 
1 1 1 1   2  19 o 885.803  24.965  6893.34    386.122 6752.93    546.058 7033.75    546.059 873.859 35.788  892.074 35.057  -18.21429      50.09755 
1 1 1 1   2  20 o 951.665  26.338  7966.19    437.655 8011.20    618.940 7921.18    618.935 950.799 37.282  945.360 37.496  5.438232       52.87615 
1 1 1 1   2  21 o 330.896  14.215  958.176    82.127  921.874    100.587 1030.77    142.243 323.858 17.857  341.630 23.998  -17.77225      29.91287 
1 1 1 1   2  22 o 634.560  21.832  3537.06    241.898 3502.74    296.272 3605.70    418.958 630.472 26.913  635.712 37.916  -5.239929      46.49696 
1 1 1 1   2  23 o 388.703  15.534  1323.67    105.428 1267.46    129.122 1436.09    182.611 379.480 19.554  402.781 26.106  -23.30112      32.61688 
1 1 1 1   2  24 o 105.556  10.871  98.487     19.749  84.500     24.189  126.453    34.203  97.126  14.725  118.896 16.956  -21.77070      22.45716 
1 1 1 1   2  25 o 822.108  23.488  5958.60    337.163 6177.44    476.825 5739.77    476.815 833.232 32.774  802.586 34.025  30.64618       47.24224 
1 1 1 1   2  26 o 391.230  13.483  1341.05    92.103  1373.75    130.258 1308.36    130.249 395.298 18.872  385.217 19.427  10.08047       27.08441 
1 1 1 1   2  27 o 507.965  18.290  2269.04    162.222 1955.06    280.938 2426.09    198.695 465.948 34.782  524.481 21.697  -58.53268      40.99417 
1 1 1 1   2  28 o 587.419  20.479  3042.42    210.046 3133.41    363.835 2996.93    257.244 589.380 35.521  581.497 25.336  7.882813       43.63040 
1 1 1 1   2  29 o 106.539  10.883  100.421    19.960  98.829     34.505  101.222    24.470  104.215 19.683  106.600 13.446  -2.384972      23.83753 
1 1 1 1   2  30 o 248.758  10.847  541.955    47.112  606.889    66.619  476.993    66.633  262.503 14.592  232.313 16.535  30.18996       22.05290 
1 1 1 1   2  31 o 176.873  10.008  274.754    30.780  235.399    43.593  313.881    43.467  162.935 15.510  188.688 13.278  -25.75293      20.41738 
1 1 1 1   2  32 o 351.806  12.626  1085.39    77.562  1124.18    109.742 1046.68    109.635 357.285 17.591  344.154 18.310  13.13153       25.39145 
1 1 1 1   2  33 o 176.658  11.448  274.573    35.121  251.596    60.679  286.148    43.068  167.439 21.232  180.050 13.804  -12.61024      25.32491 
1 1 1 1   2  34 o 146.789  11.355  189.867    28.877  214.458    49.894  177.482    35.410  154.904 18.834  141.456 14.544  13.44899       23.79603 
1 1 1 1   2  35 o 274.406  13.081  660.178    62.678  787.085    108.568 596.737    76.761  297.914 21.006  259.966 17.004  37.94794       27.02584 
1 1 1 1   2  36 o 594.390  20.744  3114.98    215.294 3212.59    263.694 2919.82    372.859 602.271 25.075  567.908 37.818  34.36292       45.37555 
1 1 1 1   2  37 o 172.772  11.327  262.418    33.982  294.630    41.845  200.034    58.233  182.901 13.191  148.830 23.162  34.07108       26.65504 
1 1 1 1   2  38 o 943.291  30.562  7911.51    503.366 8083.57    616.510 7567.44    871.816 949.369 37.191  902.487 55.596  46.88171       66.88842 
1 1 1 1   2  39 o 281.423  16.001  697.042    78.303  773.683    111.175 621.596    110.305 295.587 21.692  264.290 24.171  31.29730       32.47712 
1 1 1 1   2  40 o 607.803  25.784  3265.46    273.637 3411.96    387.129 3119.19    386.833 616.669 36.111  588.755 37.830  27.91412       52.29799 
1 1 1 1   2  41 o 378.468  18.312  1258.34    121.010 1398.92    171.481 1118.89    170.788 397.266 24.846  354.402 27.823  42.86313       37.30214 
1 1 1 1   2  42 o 365.545  12.558  1170.03    80.151  1150.44    113.053 1189.84    113.651 361.922 17.890  368.092 17.683  -6.170685      25.15416 
1 1 1 1   2  43 o 342.551  12.032  1027.27    71.965  958.274    101.338 1097.46    102.215 329.860 17.659  353.624 16.554  -23.76447      24.20484 
1 1 1 1   2  44 o 89.696   12.064  71.699     18.415  66.304     22.481  82.703     32.106  85.625  15.612  95.204  19.952  -9.578949      25.33427 
1 1 1 1   2  45 o 160.081  11.542  225.486    32.046  215.818    39.106  245.249    55.914  156.231 14.501  165.814 19.698  -9.583115      24.45963 
1 1 1 1   2  46 o 161.102  11.393  228.333    31.841  227.394    38.810  230.265    55.688  160.457 13.992  160.465 20.332  -0.8026123E-02 24.68116 
1 1 1 1   2  47 o 184.082  10.294  297.446    32.956  281.175    45.683  315.101    47.589  178.432 14.797  188.995 14.532  -10.56325      20.73947 
1 1 1 1   2  48 o 319.475  12.019  893.994    67.044  896.652    94.745  891.328    94.886  318.970 17.073  318.004 17.152  0.9660950      24.20106 
1 1 1 1   2  49 o 560.763  16.809  2763.87    164.581 2876.43    232.759 2651.32    232.747 570.282 23.375  547.209 24.360  23.07294       33.76068 
1 1 1 1   2  50 o 471.264  16.801  1952.75    138.245 1769.62    239.218 2044.58    169.397 443.835 31.064  481.470 20.150  -37.63580      37.02681 
1 1 1 1   2  51 o 249.868  12.966  548.981    56.375  587.479    98.317  530.124    68.811  256.808 22.142  245.037 16.174  11.77159       27.42045 
1 1 1 1   2  52 o 61.061   18.088  33.317     20.654  87.801     41.988  15.925     23.723  97.570  24.640  50.777  19.326  46.79284       31.31544 
1 1 1 1   2  53 o 619.114  17.898  3379.43    193.481 3557.94    273.780 3201.33    273.466 632.419 24.793  599.270 26.135  33.14911       36.02409 
1 1 1 1   2  54 o 299.228  13.686  786.583    71.506  1100.47    127.645 643.030    86.323  351.895 20.867  269.251 18.473  82.64407       27.86939 
1 1 1 1   2  55 o 304.864  13.293  816.644    70.758  1155.44    129.785 673.346    84.406  360.420 20.710  275.616 17.632  84.80457       27.19884 
1 1 1 1   2  56 o 34.757   15.491  -7.5141    19.035  26.299     53.221  -12.4742   20.384  71.742  28.477  34.248  15.575  37.49306       32.45805 
1 1 1 1   2  57 o 320.271  13.974  903.327    78.147  1159.18    137.322 780.782    95.037  359.897 21.957  296.255 18.464  63.64188       28.68895 
1 1 1 1   2  58 o 160.049  13.102  227.031    36.293  267.367    67.058  210.320    43.161  171.334 22.996  153.346 16.373  17.98808       28.22868 
1 1 1 1   2  59 o 229.432  13.017  465.468    51.934  500.473    64.706  402.093    87.065  237.258 15.708  209.870 24.203  27.38803       28.85337 
1 1 1 1   2  60 o 128.120  14.777  147.190    32.451  160.113    41.481  126.803    52.100  132.791 18.383  115.771 26.364  17.01978       32.14026 
1 1 1 1   2  61 o 105.475  20.510  103.307    36.412  103.307    36.412  0.0000     0.0000  105.475 20.510  ?       ?       0.000000       20.50952 
1 1 1 1   2  62 o 249.140  13.647  552.052    59.141  563.587    72.624  529.344    101.900 250.605 16.692  238.994 24.779  11.61176       29.87707 
1 1 1 1   2  63 o 149.240  14.078  199.820    36.251  198.014    44.425  203.419    62.713  147.460 17.602  146.386 25.460  1.074280       30.95228 
1 1 1 1   2  64 o 43.318   16.752  11.331     18.017  10.746     25.793  11.888     25.177  48.688  19.654  48.828  19.520  -0.1405602     27.70029 
1 1 1 1   2  65 o 73.617   19.110  51.260     24.780  49.956     31.441  53.399     40.260  73.035  22.465  76.403  25.612  -3.367798      34.06839 
1 1 1 1   2  66 o 99.225   16.770  91.489     28.019  98.185     35.299  80.084     46.068  101.476 20.625  90.192  27.081  11.28339       34.04094 
1 1 1 1   2  67 o 60.497   21.459  31.075     28.415  31.075     28.415  0.0000     0.0000  60.497  21.459  ?       ?       0.000000       21.45933 
1 1 1 1   2  68 o 88.818   18.092  75.129     27.104  99.391     34.658  36.924     43.492  101.573 20.252  68.310  26.128  33.26328       33.05777 
1 1 1 1   2  69 o 72.887   17.817  51.118     22.485  63.319     33.666  41.293     30.211  79.844  22.936  66.390  22.186  13.45393       31.91106 
1 1 1 1   2  70 o 269.476  14.289  664.187    66.995  682.774    116.374 654.973    81.933  260.207 25.960  264.259 17.862  -4.052551      31.51164 
1 1 1 1   2  71 o 30.254   14.577  -31.9582   22.880  -17.6740   32.171  -46.5789   32.548  41.751  19.204  35.445  17.154  6.305733       25.74949 
1 1 1 1   2  72 o 71.479   19.173  50.731     24.423  21.362     43.473  64.277     29.523  60.344  25.063  79.754  20.935  -19.40989      32.65626 
1 1 1 1   2  73 o 91.990   17.500  82.539     27.082  132.390    48.104  59.408     32.768  111.485 25.292  75.729  22.863  35.75578       34.09398 
1 1 1 1   2  74 o 63.535   19.485  40.369     23.672  26.879     41.932  46.679     28.680  60.777  24.863  67.676  21.551  -6.898880      32.90314 
1 1 1 1   2  75 o 49.196   19.507  17.241     24.949  37.760     54.100  11.698     28.118  67.232  27.944  48.233  20.105  18.99936       34.42507 
1 1 1 1   2  76 o 127.582  15.959  157.772    34.774  211.399    64.987  136.257    41.162  134.703 28.519  114.113 21.446  20.58985       35.68261 
1 1 1 1   2  77 o 66.779   20.037  47.039     25.225  93.723     58.326  36.298     27.977  84.974  30.677  59.860  21.287  25.11399       37.33953 
1 1 1 1   3  0  o 209.558  11.952  385.040    43.551  390.235    53.347  374.661    75.412  210.754 14.586  205.725 21.302  5.028915       25.81770 
1 1 1 1   3  1  o 629.653  18.696  3470.16    205.545 3326.42    290.683 3613.90    290.687 615.613 27.043  641.800 25.940  -26.18744      37.47223 
1 1 1 1   3  2  o 296.545  11.273  768.460    58.368  659.924    82.535  877.044    82.554  274.087 17.335  316.692 14.929  -42.60535      22.87786 
1 1 1 1   3  3  o 112.532  9.1217  111.351    17.769  114.668    25.141  108.041    25.117  113.810 12.878  110.377 13.300  3.432930       18.51329 
1 1 1 1   3  4  o 653.397  19.247  3737.57    219.587 3754.79    310.543 3720.34    310.543 654.001 27.194  650.977 27.321  3.023376       38.54819 
1 1 1 1   3  5  o 476.993  14.878  1989.68    123.916 1685.31    175.226 2294.17    175.261 437.892 22.998  511.879 19.609  -73.98618      30.22290 
1 1 1 1   3  6  o 664.758  22.380  3872.73    259.773 3635.13    449.925 3991.54    318.161 640.053 40.467  674.290 27.023  -34.23669      48.66053 
1 1 1 1   3  7  o 590.206  20.190  3050.74    208.062 2883.09    360.358 3134.58    254.829 570.633 36.356  597.827 24.412  -27.19348      43.79217 
1 1 1 1   3  8  o 715.164  29.419  4495.58    367.364 4798.96    519.531 4192.21    519.531 735.581 40.607  686.535 43.565  49.04559       59.55579 
1 1 1 1   3  9  o 1808.71  70.470  29694.38   2225.56 28588.37   3147.39 30800.42   3147.44 1733.19 104.490 1805.04 100.258 -71.85046      144.8100 
1 1 1 1   3  10 o 975.884  31.560  8382.04    537.769 8765.94    658.630 7614.23    931.445 996.217 37.864  919.507 58.317  76.70935       69.53065 
1 1 1 1   3  11 o 574.204  20.072  2888.18    201.238 2980.46    246.464 2703.60    348.559 582.860 24.217  552.291 36.348  30.56903       43.67671 
1 1 1 1   3  12 o 751.201  24.957  4952.99    327.350 5002.79    400.915 4853.36    567.004 753.987 30.453  738.163 44.195  15.82373       53.67091 
1 1 1 1   3  13 o 1110.53  34.835  10883.86   675.468 10045.68   827.255 12560.49   1170.01 1063.28 44.558  1182.60 56.662  -119.3124      72.08304 
1 1 1 1   3  14 o 91.564   10.685  74.268     16.762  87.914     20.537  47.041     29.010  99.556  12.060  72.698  21.410  26.85867       24.57298 
1 1 1 1   3  15 o 117.109  9.4561  120.617    19.171  115.247    27.126  125.976    27.097  113.943 13.924  119.292 13.232  -5.348999      19.20868 
1 1 1 1   3  16 o 312.553  11.898  854.103    64.935  736.045    91.815  972.244    91.848  289.294 18.270  333.286 15.783  -43.99222      24.14353 
1 1 1 1   3  17 o 655.720  19.225  3768.88    220.111 3811.96    311.280 3725.80    311.288 658.159 27.087  650.619 27.401  7.540283       38.52963 
1 1 1 1   3  18 o 762.026  25.305  5107.50    336.701 4772.66    412.370 5777.23    583.189 734.955 32.134  804.345 41.667  -69.39056      52.61895 
1 1 1 1   3  19 o 722.273  24.257  4588.43    305.910 4638.09    374.670 4489.13    529.829 724.858 29.603  707.573 43.090  17.28522       52.27880 
1 1 1 1   3  20 o 451.492  16.978  1786.70    133.843 1783.68    163.928 1792.74    231.810 450.660 20.833  449.484 29.704  1.175659       36.28085 
1 1 1 1   3  21 o 406.273  15.986  1446.69    113.402 1433.23    138.888 1473.62    196.423 403.968 19.690  407.516 27.770  -3.547485      34.04262 
1 1 1 1   3  22 o 651.033  22.310  3731.30    253.606 3630.52    310.607 3932.83    439.249 640.723 27.764  662.096 38.157  -21.37231      47.18847 
1 1 1 1   3  23 o 388.698  15.408  1324.83    104.574 1379.93    128.090 1214.69    181.090 396.316 18.510  369.247 28.303  27.06946       33.81852 
1 1 1 1   3  24 o 179.332  9.8493  282.164    30.723  278.034    43.424  286.303    43.473  177.544 14.124  180.206 13.924  -2.661926      19.83373 
1 1 1 1   3  25 f 884.599  24.793  6924.60    382.942 6575.45    541.545 7273.79    541.578 855.498 36.254  901.036 34.424  -45.53699      49.99318 
1 1 1 1   3  26 o 161.488  14.018  230.445    39.134  207.882    55.335  253.021    55.351  152.028 21.441  168.443 19.161  -16.41432      28.75503 
1 1 1 1   3  27 o 148.720  11.262  194.824    29.027  196.915    50.272  193.778    35.552  148.139 19.942  147.970 13.924  0.1693573      24.32211 
1 1 1 1   3  28 o 343.568  16.585  1038.24    99.490  1213.31    141.122 865.247    140.283 369.750 21.957  310.916 26.081  58.83383       34.09332 
1 1 1 1   3  29 o 429.654  19.042  1628.18    142.854 1850.48    202.470 1407.81    201.585 455.523 25.559  395.753 29.382  59.77072       38.94315 
1 1 1 1   3  30 o 246.426  12.264  532.444    52.769  458.193    91.254  569.747    64.680  226.160 23.449  254.268 14.630  -28.10829      27.63915 
1 1 1 1   3  31 o 202.432  14.505  361.706    50.929  335.988    71.848  387.677    72.202  193.746 21.606  208.609 20.070  -14.86302      29.48945 
1 1 1 1   3  32 o 351.585  18.007  1091.43    110.172 1035.35    155.701 1147.65    155.912 340.205 26.418  358.702 25.051  -18.49677      36.40699 
1 1 1 1   3  33 o 185.800  14.390  304.784    46.321  302.074    65.434  307.505    65.580  183.867 20.744  185.564 20.587  -1.696609      29.22599 
1 1 1 1   3  34 o 172.321  11.183  261.121    33.467  327.699    58.977  229.499    40.645  192.200 17.775  161.063 14.612  31.13702       23.00989 
1 1 1 1   3  35 o 137.366  10.925  166.212    25.986  209.270    46.419  146.558    31.361  153.298 17.665  128.501 14.215  24.79622       22.67434 
1 1 1 1   3  36 o 297.413  13.196  775.018    68.526  906.196    119.313 710.447    83.709  319.956 21.481  283.925 16.963  36.03052       27.37127 
1 1 1 1   3  37 o 217.287  10.265  413.053    38.946  431.420    54.727  394.207    55.436  221.401 14.232  211.483 15.112  9.917618       20.75874 
1 1 1 1   3  38 o 110.716  9.8056  108.053    18.760  117.573    25.874  97.500     27.240  115.121 13.105  104.331 15.418  10.78979       20.23507 
1 1 1 1   3  39 o 256.232  12.313  574.845    55.089  580.072    67.531  564.447    95.244  256.766 15.130  252.209 21.844  4.557114       26.57159 
1 1 1 1   3  40 o 320.563  13.103  900.056    73.340  811.119    89.388  1083.24    128.288 303.520 16.934  350.158 21.081  -46.63843      27.04007 
1 1 1 1   3  41 o 207.968  14.359  380.869    51.821  380.869    51.821  0.0000     0.0000  207.968 14.359  ?       ?       0.000000       14.35862 
1 1 1 1   3  42 o 481.226  21.068  2039.33    177.026 2039.33    177.026 0.0000     0.0000  481.226 21.068  ?       ?       0.000000       21.06811 
1 1 1 1   3  43 o 653.130  21.255  3758.03    242.394 3481.36    296.696 4313.32    420.333 626.863 27.107  694.553 34.660  -67.68982      44.00083 
1 1 1 1   3  44 o 284.829  12.617  710.617    62.749  641.799    76.065  857.199    111.014 269.918 16.215  311.324 20.538  -41.40588      26.16699 
1 1 1 1   3  45 o 329.056  11.753  948.109    67.526  851.690    94.772  1047.53    96.238  310.828 17.534  345.449 15.955  -34.62103      23.70643 
1 1 1 1   3  46 o 127.791  9.8402  143.722    21.788  110.935    28.607  189.009    33.621  111.443 15.090  146.252 13.312  -34.80944      20.12209 
1 1 1 1   3  47 o 664.728  22.167  3901.83    257.286 3837.30    315.024 4031.11    445.874 657.225 27.452  667.119 38.440  -9.894104      47.23618 
1 1 1 1   3  48 o 159.479  11.950  224.059    33.033  199.141    39.926  278.128    58.814  149.806 15.487  176.646 19.387  -26.84000      24.81367 
1 1 1 1   3  49 o 596.499  20.900  3141.35    217.684 3318.98    266.608 2786.10    377.037 611.680 24.962  552.772 39.320  58.90839       46.57469 
1 1 1 1   3  50 o 125.901  13.522  140.655    29.259  135.462    35.153  152.366    52.790  122.976 16.811  129.042 24.321  -6.065742      29.56594 
1 1 1 1   3  51 o 471.162  21.958  1965.39    180.641 2084.93    255.227 1845.41    255.704 481.286 30.529  451.715 32.639  29.57080       44.69189 
1 1 1 1   3  52 o 106.130  28.224  104.333    53.210  0.0000     0.0000  104.333    53.210  ?       ?       106.130 28.224  0.000000       28.22436 
1 1 1 1   3  53 o 38.153   17.877  -30.1914   29.932  0.0000     0.0000  -30.1914   29.932  ?       ?       38.153  17.877  0.000000       17.87709 
1 1 1 1   3  54 o 126.986  17.061  144.757    36.871  325.438    62.504  48.327     45.662  190.894 19.005  77.627  27.235  113.2668       33.21040 
1 1 1 1   3  55 o 386.605  13.726  1314.87    92.655  1404.51    130.522 1223.81    131.551 398.250 18.770  370.745 20.400  27.50479       27.72137 
1 1 1 1   3  56 o 405.171  13.476  1444.97    95.340  1406.94    134.289 1483.63    135.379 398.097 19.319  408.928 18.960  -10.83154      27.06878 
1 1 1 1   3  57 o 162.796  13.014  234.814    36.684  244.990    44.370  212.831    65.213  165.812 15.505  151.786 25.511  14.02632       29.85356 
1 1 1 1   3  58 o 129.662  14.238  150.206    31.703  146.535    37.979  158.645    57.576  127.299 17.554  130.124 26.246  -2.824829      31.57539 
1 1 1 1   3  59 o 221.410  13.361  434.513    51.412  545.797    89.995  380.601    62.639  245.610 21.193  206.011 17.582  39.59915       27.53648 
1 1 1 1   3  60 o 191.786  13.574  327.096    45.163  419.424    78.616  281.617    55.176  214.650 21.255  176.582 18.154  38.06831       27.95263 
1 1 1 1   3  61 o 176.914  13.431  278.957    41.180  342.384    72.717  249.012    49.964  193.025 21.967  165.887 17.515  27.13843       28.09454 
1 1 1 1   3  62 o 89.107   22.037  75.295     34.096  41.508     49.795  105.120    46.784  74.437  28.079  104.463 25.801  -30.02517      38.13348 
1 1 1 1   3  63 o 420.274  31.455  1714.77    229.151 1714.77    229.151 0.0000     0.0000  420.274 31.455  ?       ?       0.000000       31.45483 
1 1 1 1   3  64 o 380.322  19.496  1325.05    129.035 1325.05    129.035 0.0000     0.0000  380.322 19.496  ?       ?       0.000000       19.49638 
1 1 1 1   3  65 o 41.700   17.424  4.2437     21.190  9.3459     24.723  -9.8821    41.136  46.970  19.139  51.236  22.808  -4.265358      29.77422 
1 1 1 1   3  66 o 112.410  15.744  116.536    30.055  135.476    36.870  79.024     51.887  120.390 18.100  89.260  29.042  31.13035       34.22071 
1 1 1 1   3  67 o 219.541  11.707  432.074    44.713  495.561    63.612  370.074    62.863  232.757 15.745  199.428 18.255  33.32895       24.10710 
1 1 1 1   3  68 o 73.966   19.899  53.272     26.262  53.690     31.569  52.333     47.321  74.057  22.459  75.432  27.571  -1.374680      35.56073 
1 1 1 1   3  69 o 52.689   18.266  24.311     20.509  43.850     27.576  0.1261     30.680  67.315  21.094  46.547  20.239  20.76859       29.23355 
1 1 1 1   3  70 o 89.789   16.162  76.700     24.406  84.394     33.252  67.714     35.935  91.892  21.161  81.334  23.793  10.55785       31.84208 
1 1 1 1   3  71 o 117.081  13.510  126.908    27.113  141.188    38.981  113.526    37.736  120.315 19.201  106.552 21.030  13.76232       28.47665 
1 1 1 1   3  72 o 94.032   15.716  84.486     24.892  101.215    34.858  67.079     35.558  100.273 20.599  79.955  23.744  20.31745       31.43375 
1 1 1 1   3  73 o 51.020   20.796  15.901     29.202  0.0000     0.0000  15.901     29.202  ?       ?       51.020  20.796  0.000000       20.79610 
1 1 1 1   3  74 o 51.737   21.064  17.480     29.914  0.0000     0.0000  17.480     29.914  ?       ?       51.737  21.064  0.000000       21.06384 
1 1 1 1   3  75 o 39.153   17.882  -10.5250   27.233  0.0000     0.0000  -10.5250   27.233  ?       ?       39.153  17.882  0.000000       17.88179 
1 1 1 1   3  76 o 64.699   18.587  43.253     22.108  38.012     29.856  49.616     32.894  61.120  21.963  67.709  23.148  -6.589321      31.90944 
1 1 1 1   4  0  o 369.428  15.009  1193.84    96.816  1304.03    167.703 1138.76    118.570 384.617 25.110  360.104 18.924  24.51263       31.44207 
1 1 1 1   4  1  o 579.502  19.897  2942.01    201.326 3075.17    246.587 2675.80    348.669 592.024 23.854  549.239 36.566  42.78516       43.65902 
1 1 1 1   4  2  o 470.647  17.430  1939.03    143.240 1956.35    175.441 1904.40    248.076 472.436 21.268  464.118 30.787  8.317749       37.41866 
1 1 1 1   4  3  o 349.335  14.527  1067.41    88.611  1064.78    153.492 1068.73    108.521 347.310 25.489  348.928 17.872  -1.618134      31.13026 
1 1 1 1   4  4  o 525.541  18.829  2418.97    172.785 2495.41    299.289 2380.75    211.612 531.160 32.426  520.936 23.264  10.22345       39.90812 
1 1 1 1   4  5  o 955.932  26.626  8029.46    444.417 7923.52    628.497 8135.41    628.504 946.446 38.032  959.183 37.527  -12.73633      53.42919 
1 1 1 1   4  6  o 776.915  22.079  5293.49    299.518 5120.79    423.577 5466.19    423.588 762.288 31.824  787.810 30.794  -25.52271      44.28305 
1 1 1 1   4  7  o 1082.99  29.850  10325.88   564.457 10515.07   798.262 10136.69   798.263 1088.42 42.004  1068.32 42.794  20.09497       59.96332 
1 1 1 1   4  8  o 691.172  20.157  4187.11    243.265 4228.42    344.029 4145.81    344.030 693.227 28.422  686.369 28.706  6.858948       40.39631 
1 1 1 1   4  9  o 705.869  20.526  4368.17    252.981 4320.17    357.764 4416.17    357.774 700.473 29.251  708.279 28.930  -7.805664      41.14057 
1 1 1 1   4  10 o 600.459  17.935  3158.15    188.042 2939.30    265.919 3377.05    265.945 578.178 26.341  620.024 24.565  -41.84625      36.01771 
1 1 1 1   4  11 o 407.952  13.565  1455.81    96.627  1407.79    136.641 1503.84    136.661 400.747 19.528  414.245 18.894  -13.49823      27.17186 
1 1 1 1   4  12 o 731.372  20.849  4692.57    266.246 4525.18    376.518 4859.98    376.538 716.336 30.103  742.621 29.039  -26.28510      41.82618 
1 1 1 1   4  13 o 547.501  16.763  2625.64    160.254 2574.91    226.623 2676.39    226.644 541.254 23.980  551.886 23.520  -10.63269      33.58858 
1 1 1 1   4  14 o 348.216  14.489  1061.37    88.098  1044.80    152.574 1069.66    107.902 343.607 25.615  348.896 17.771  -5.288757      31.17563 
1 1 1 1   4  15 o 506.213  18.373  2247.17    162.394 2149.85    198.888 2441.82    281.282 494.501 23.034  524.693 30.838  -30.19122      38.49127 
1 1 1 1   4  16 o 557.189  19.787  2725.56    192.507 2690.43    235.773 2795.82    333.428 552.782 24.427  560.234 34.250  -7.451599      42.06855 
1 1 1 1   4  17 o 521.810  18.768  2390.20    170.996 2472.04    209.439 2226.56    296.137 530.013 22.631  499.388 34.167  30.62512       40.98248 
1 1 1 1   4  18 o 181.045  11.536  287.953    36.276  266.096    44.414  331.751    62.873  173.642 14.790  193.458 18.853  -19.81590      23.96167 
1 1 1 1   4  19 o 449.211  14.747  1768.68    115.667 1719.38    163.571 1817.98    163.584 441.980 21.195  454.577 20.610  -12.59622      29.56356 
1 1 1 1   4  20 o 221.246  10.461  428.261    40.412  392.761    57.132  463.809    57.170  211.033 15.616  229.589 14.333  -18.55679      21.19620 
1 1 1 1   4  21 o 286.812  11.539  720.192    57.787  705.412    81.717  734.977    81.730  282.950 16.613  288.891 16.269  -5.941132      23.25236 
1 1 1 1   4  22 f 585.188  17.684  3011.12    180.695 2945.06    255.537 3077.20    255.546 576.558 25.383  589.538 24.825  -12.97943      35.50499 
1 1 1 1   4  23 o 443.971  14.285  1729.47    110.742 1483.79    156.577 1975.37    156.647 409.264 21.992  473.590 18.943  -64.32529      29.02559 
1 1 1 1   4  24 o 161.991  9.7936  230.501    27.571  211.524    38.965  249.529    39.017  154.548 14.613  168.141 13.401  -13.59309      19.82726 
1 1 1 1   4  25 o 76.266   20.082  53.193     27.111  53.193     27.111  0.0000     0.0000  76.266  20.082  ?       ?       0.000000       20.08191 
1 1 1 1   4  26 o 246.901  22.404  544.085    95.536  544.085    95.536  0.0000     0.0000  246.901 22.404  ?       ?       0.000000       22.40448 
1 1 1 1   4  27 o 81.555   19.381  61.037     27.192  0.0000     0.0000  61.037     27.192  ?       ?       81.555  19.381  0.000000       19.38117 
1 1 1 1   4  28 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 1   4  29 o 239.309  15.378  505.370    63.918  0.0000     0.0000  505.370    63.918  ?       ?       239.309 15.378  0.000000       15.37819 
1 1 1 1   4  30 o 425.601  20.250  1599.03    150.484 0.0000     0.0000  1599.03    150.484 ?       ?       425.601 20.250  0.000000       20.24997 
1 1 1 1   4  31 o 525.680  18.302  2433.53    167.986 2907.94    291.237 2197.00    205.642 570.085 29.358  498.046 23.647  72.03955       37.69699 
1 1 1 1   4  32 o 187.887  9.6735  309.712    31.628  375.765    44.976  245.096    44.484  206.693 12.521  166.359 15.493  40.33453       19.91980 
1 1 1 1   4  33 o 575.992  17.081  2915.39    171.792 2896.17    243.003 2934.59    242.898 572.183 24.323  576.020 24.150  -3.836548      34.27590 
1 1 1 1   4  34 o 369.853  12.565  1198.20    81.143  1284.22    114.981 1112.86    114.527 382.344 17.223  355.277 18.526  27.06653       25.29526 
1 1 1 1   4  35 o 600.367  17.813  3166.96    186.730 3091.76    264.128 3242.09    264.024 591.198 25.587  605.588 24.969  -14.39020      35.75120 
1 1 1 1   4  36 o 133.645  9.7062  157.043    22.495  159.885    32.258  154.352    31.387  134.355 13.954  132.005 13.822  2.350662       19.64104 
1 1 1 1   4  37 o 659.906  18.138  3826.19    208.997 3513.02    295.323 4140.39    295.810 629.942 26.849  684.594 24.747  -54.65155      36.51420 
1 1 1 1   4  38 o 1010.67  26.128  9035.47    461.081 8218.49    651.915 9853.22    652.219 956.241 39.045  1049.58 35.589  -93.33929      52.83042 
1 1 1 1   4  39 o 377.080  17.503  1248.80    115.242 1248.80    115.242 0.0000     0.0000  377.080 17.503  ?       ?       0.000000       17.50309 
1 1 1 1   4  40 o 84.304   15.666  64.335     22.211  64.335     22.211  0.0000     0.0000  84.304  15.666  ?       ?       0.000000       15.66561 
1 1 1 1   4  41 o 471.976  19.939  1960.61    164.318 1960.61    164.318 0.0000     0.0000  471.976 19.939  ?       ?       0.000000       19.93901 
1 1 1 1   4  42 o 347.350  13.963  1057.67    84.688  982.397    103.015 1214.60    148.741 333.882 17.734  370.213 23.126  -36.33099      29.14269 
1 1 1 1   4  43 o 427.389  13.254  1600.79    98.912  1447.23    139.072 1757.99    140.707 405.451 19.644  447.161 18.021  -41.71054      26.65846 
1 1 1 1   4  44 o 170.150  10.395  254.308    30.734  197.628    35.630  419.081    60.750  149.507 13.805  217.878 16.082  -68.37111      21.19466 
1 1 1 1   4  45 o 264.956  9.8487  614.282    45.563  467.738    62.752  777.688    66.264  230.274 15.701  297.893 12.739  -67.61960      20.21894 
1 1 1 1   4  46 o 326.007  10.708  930.477    60.951  728.403    84.664  1147.90    87.819  287.347 16.949  361.749 13.903  -74.40240      21.92227 
1 1 1 1   4  47 o 505.196  14.224  2239.81    125.475 1868.80    176.549 2618.48    178.362 459.808 21.990  545.196 18.736  -85.38824      28.88972 
1 1 1 1   4  48 o 84.221   13.604  63.799     19.324  62.237     23.617  66.963     33.611  82.627  16.939  85.440  22.294  -2.813408      27.99909 
1 1 1 1   4  49 o 232.768  11.606  474.862    47.168  455.218    64.539  497.387    69.107  226.888 16.401  237.142 16.799  -10.25429      23.47767 
1 1 1 1   4  50 o 509.288  23.108  2301.81    205.493 2396.70    290.437 2206.69    290.785 514.700 32.484  492.980 33.989  21.72003       47.01567 
1 1 1 1   4  51 o 210.504  17.799  393.626    64.808  0.0000     0.0000  393.626    64.808  ?       ?       210.504 17.799  0.000000       17.79908 
1 1 1 1   4  52 o 481.717  21.264  2058.82    178.852 0.0000     0.0000  2058.82    178.852 ?       ?       481.717 21.264  0.000000       21.26367 
1 1 1 1   4  53 o 264.793  13.123  616.275    60.672  321.967    100.830 783.318    75.964  185.928 32.226  298.295 14.585  -112.3663      35.37312 
1 1 1 1   4  54 o 348.346  14.459  1068.98    87.947  870.790    149.110 1174.70    108.907 309.525 27.889  364.512 17.111  -54.98694      32.72023 
1 1 1 1   4  55 f 150.842  11.926  201.221    31.154  161.655    41.697  251.217    46.871  133.819 18.327  167.830 16.196  -34.01036      24.45767 
1 1 1 1   4  56 o 429.375  14.056  1626.70    105.378 1565.11    148.188 1689.71    149.880 418.794 20.265  435.397 19.715  -16.60321      28.27288 
1 1 1 1   4  57 f 219.171  11.327  423.767    43.198  408.650    59.185  441.002    63.195  214.127 15.944  222.356 16.392  -8.229324      22.86750 
1 1 1 1   4  58 o 128.094  12.252  146.023    27.068  126.932    36.062  170.655    40.964  117.978 18.083  137.327 17.480  -19.34911      25.15000 
1 1 1 1   4  59 o 145.950  11.722  189.154    29.621  181.043    39.483  199.596    44.800  141.666 16.256  148.429 17.631  -6.763000      23.98143 
1 1 1 1   4  60 o 133.566  13.803  160.003    31.726  153.167    38.495  174.476    56.016  129.630 17.451  135.984 24.493  -6.354187      30.07368 
1 1 1 1   4  61 o 238.922  12.990  508.312    53.986  524.241    65.967  476.012    93.939  241.560 15.726  225.830 24.200  15.72971       28.86099 
1 1 1 1   4  62 o 122.242  17.699  137.585    36.677  137.585    36.677  0.0000     0.0000  122.242 17.699  ?       ?       0.000000       17.69851 
1 1 1 1   4  63 o 110.000  19.163  113.374    35.469  113.374    35.469  0.0000     0.0000  110.000 19.163  ?       ?       0.000000       19.16346 
1 1 1 1   4  64 o 172.091  13.394  266.758    39.931  247.235    46.808  318.941    76.526  164.318 16.539  182.015 24.719  -17.69685      29.74147 
1 1 1 1   4  65 o 35.401   15.808  -6.8418    19.926  -11.5019   21.837  16.337     48.702  35.499  16.135  63.090  26.392  -27.59019      30.93384 
1 1 1 1   4  66 o 76.736   22.290  57.619     31.638  0.0000     0.0000  57.619     31.638  ?       ?       76.736  22.290  0.000000       22.29019 
1 1 1 1   4  67 o 147.305  14.758  199.546    37.449  273.043    63.688  160.706    46.299  167.508 22.331  128.557 21.376  38.95062       30.91354 
1 1 1 1   4  68 o 53.076   20.039  21.730     25.374  36.105     49.168  16.513     29.623  68.625  27.330  52.576  21.119  16.04910       34.53867 
1 1 1 1   4  69 o 194.470  16.537  354.791    55.621  326.351    77.071  385.703    80.351  178.459 25.455  195.674 24.022  -17.21565      35.00041 
1 1 1 1   4  70 o 56.303   20.671  27.434     26.641  27.434     26.641  0.0000     0.0000  56.303  20.671  ?       ?       0.000000       20.67058 
1 1 1 1   4  71 o 109.702  21.575  122.442    39.854  169.735    60.736  86.679     52.816  123.229 28.753  87.569  29.335  35.65977       41.07632 
1 1 1 1   4  72 o 75.906   20.808  59.452     28.400  112.283    48.042  31.072     35.211  100.174 26.899  60.220  23.383  39.95385       35.64125 
1 1 1 1   4  73 f 163.472  30.514  313.213    83.894  0.0000     0.0000  313.213    83.894  ?       ?       163.472 30.514  0.000000       30.51391 
1 1 1 1   4  74 o 103.528  21.207  112.475    37.046  110.537    46.713  115.761    60.819  97.685  26.648  94.803  31.472  2.882790       41.23821 
1 1 1 1   4  75 o 33.515   15.664  -16.2971   22.737  14.911     29.537  -61.6869   35.621  49.531  20.622  34.109  16.807  15.42127       26.60377 
1 1 1 1   5  0  o 437.366  14.359  1674.30    109.655 1586.49    155.067 1762.13    155.083 425.137 20.889  448.174 19.818  -23.03757      28.79432 
1 1 1 1   5  1  o 299.529  11.719  784.611    61.292  803.429    70.780  728.192    122.556 303.021 13.377  286.675 24.726  16.34616       28.11262 
1 1 1 1   5  2  o 54.310   9.5452  26.541     8.7213  21.567     10.076  41.401     17.416  48.695  11.941  67.439  15.159  -18.74373      19.29743 
1 1 1 1   5  3  o 336.045  12.433  987.831    72.951  989.157    84.240  983.855    145.886 336.160 14.352  333.414 25.246  2.745941       29.04058 
1 1 1 1   5  4  o 251.210  10.859  551.787    47.631  496.496    67.351  607.111    67.371  237.507 16.340  262.925 14.734  -25.41824      22.00229 
1 1 1 1   5  5  o 214.988  9.9053  404.041    37.183  408.275    52.592  399.810    52.577  215.515 14.053  213.244 14.202  2.270844       19.97943 
1 1 1 1   5  6  o 208.725  10.238  380.888    37.313  337.267    52.753  424.561    52.785  195.614 15.574  219.807 13.824  -24.19337      20.82399 
1 1 1 1   5  7  o 42.584   9.3916  16.475     6.7955  8.9722     9.5614  24.133     9.6598  34.802  12.437  51.549  11.063  -16.74698      16.64555 
1 1 1 1   5  8  o 605.892  18.178  3220.31    192.311 3289.55    271.971 3151.07    271.966 610.965 25.494  597.844 26.053  13.12183       36.45187 
1 1 1 1   5  9  o 273.994  11.262  656.674    53.880  650.958    76.204  662.388    76.193  272.053 16.114  274.457 15.968  -2.403778      22.68575 
1 1 1 1   5  10 o 287.512  13.309  723.725    66.811  679.127    81.824  812.936    115.726 277.758 16.953  303.195 22.010  -25.43753      27.78180 
1 1 1 1   5  11 o 326.850  14.061  935.759    80.249  876.799    98.282  1053.70    139.005 315.563 17.911  345.102 23.203  -29.53918      29.31201 
1 1 1 1   5  12 o 293.398  13.416  753.908    68.732  755.141    84.181  751.443    119.040 292.940 16.525  291.025 23.630  1.914520       28.83525 
1 1 1 1   5  13 o 524.099  18.861  2413.92    172.595 2339.88    211.385 2562.00    298.947 515.064 23.504  535.701 32.108  -20.63708      39.79190 
1 1 1 1   5  14 o 521.663  18.821  2392.29    171.435 2306.17    209.963 2564.52    296.939 511.199 23.523  535.787 31.884  -24.58740      39.62248 
1 1 1 1   5  15 o 324.181  11.999  920.238    67.921  1058.65    96.057  781.838    96.052  347.326 15.839  297.629 18.576  49.69739       24.41168 
1 1 1 1   5  16 o 484.672  17.862  2065.21    151.160 1960.58    261.805 2117.53    185.137 467.531 32.268  489.975 21.640  -22.44388      38.85236 
1 1 1 1   5  17 o 425.214  14.051  1585.79    104.324 1550.63    147.526 1620.96    147.546 419.458 20.143  428.952 19.699  -9.494263      28.17442 
1 1 1 1   5  18 o 508.010  15.963  2267.31    141.595 2200.47    200.228 2334.17    200.262 498.789 22.990  513.910 22.318  -15.12134      32.04114 
1 1 1 1   5  19 o 432.315  16.536  1643.27    124.819 1706.19    152.886 1517.48    216.154 439.818 19.908  410.989 30.336  28.82928       36.28466 
1 1 1 1   5  20 o 726.863  30.477  4729.46    386.803 4729.46    386.803 0.0000     0.0000  726.863 30.477  ?       ?       0.000000       30.47711 
1 1 1 1   5  21 o 548.928  19.286  2658.54    184.852 2753.67    226.415 2468.36    320.121 557.334 23.266  521.440 35.369  35.89435       42.33540 
1 1 1 1   5  22 o 449.646  20.591  1787.15    161.666 1915.52    228.798 1659.15    228.463 462.105 28.495  429.022 30.701  33.08228       41.88719 
1 1 1 1   5  23 o 231.051  21.869  476.768    87.176  0.0000     0.0000  476.768    87.176  ?       ?       231.051 21.869  0.000000       21.86892 
1 1 1 1   5  24 o 425.498  29.180  1628.05    215.484 0.0000     0.0000  1628.05    215.484 ?       ?       425.498 29.180  0.000000       29.18015 
1 1 1 1   5  25 o 716.068  30.153  4597.44    377.008 0.0000     0.0000  4597.44    377.008 ?       ?       716.068 30.153  0.000000       30.15319 
1 1 1 1   5  26 o 321.967  17.337  915.368    97.103  0.0000     0.0000  915.368    97.103  ?       ?       321.967 17.337  0.000000       17.33655 
1 1 1 1   5  27 o 369.665  14.933  1200.38    96.389  1315.98    167.328 1142.97    117.920 384.144 25.084  359.587 18.847  24.55685       31.37548 
1 1 1 1   5  28 o 50.623   10.911  23.307     9.3604  22.028     13.950  24.355     12.624  49.825  14.889  51.780  13.737  -1.954338      20.25816 
1 1 1 1   5  29 o 532.541  18.615  2497.21    173.089 2548.37    212.014 2394.97    299.730 536.880 22.616  515.651 33.471  21.22906       40.39562 
1 1 1 1   5  30 o 301.986  11.761  798.700    62.013  823.508    87.805  774.010    87.594  305.733 16.509  296.292 17.003  9.440491       23.69895 
1 1 1 1   5  31 o 111.420  9.6449  109.411    18.579  111.257    26.499  107.626    26.056  111.809 13.871  109.940 13.883  1.868721       19.62500 
1 1 1 1   5  32 o 271.509  11.061  645.222    52.438  704.528    74.296  586.354    74.022  283.006 15.090  257.903 16.525  25.10278       22.37759 
1 1 1 1   5  33 o 133.576  9.6672  156.879    22.395  199.267    31.839  115.377    31.505  150.356 12.234  113.502 16.370  36.85438       20.43649 
1 1 1 1   5  34 o 593.970  17.007  3097.95    176.385 2946.29    249.329 3249.89    249.564 577.396 24.731  606.757 23.556  -29.36072      34.15403 
1 1 1 1   5  35 o 885.125  28.169  6948.03    435.344 6941.65    533.211 6960.79    753.966 881.201 34.655  870.422 49.816  10.77838       60.68404 
1 1 1 1   5  36 o 356.988  14.674  1117.40    91.468  1118.80    111.937 1114.59    158.674 356.372 18.048  354.040 25.847  2.331879       31.52412 
1 1 1 1   5  37 o 348.750  14.470  1066.35    88.113  1067.06    107.829 1064.92    152.862 348.041 17.803  346.084 25.475  1.957642       31.07960 
1 1 1 1   5  38 o 207.273  14.040  378.315    50.514  378.315    50.514  0.0000     0.0000  207.273 14.040  ?       ?       0.000000       14.04034 
1 1 1 1   5  39 o 342.659  13.198  1028.88    78.966  965.268    96.296  1159.48    137.978 331.115 16.710  361.936 21.937  -30.82159      27.57592 
1 1 1 1   5  40 o 346.442  13.535  1052.05    81.877  962.440    99.835  1236.13    143.092 330.486 17.362  373.670 22.029  -43.18384      28.04808 
1 1 1 1   5  41 f 552.659  17.573  2685.13    169.577 2411.62    207.417 3236.46    294.491 522.539 22.733  603.564 27.944  -81.02454      36.02306 
1 1 1 1   5  42 o 255.227  10.468  570.160    46.651  529.750    65.633  611.420    66.321  245.175 15.410  263.603 14.464  -18.42838      21.13484 
1 1 1 1   5  43 o 288.124  12.463  727.497    62.701  715.427    76.696  751.819    108.876 285.021 15.469  291.035 21.579  -6.014313      26.55058 
1 1 1 1   5  44 o 467.899  14.030  1920.90    114.622 1763.16    161.821 2079.73    162.380 446.961 20.735  485.819 19.142  -38.85724      28.22001 
1 1 1 1   5  45 o 566.346  16.618  2820.85    164.337 2889.95    232.246 2751.56    232.570 571.234 23.285  557.174 23.906  14.05927       33.37156 
1 1 1 1   5  46 o 155.722  10.557  213.338    28.536  179.175    39.152  252.053    41.679  141.853 16.092  168.839 14.272  -26.98584      21.50874 
1 1 1 1   5  47 o 201.678  12.157  357.941    42.611  289.783    69.137  399.690    54.110  179.489 22.559  212.792 14.653  -33.30284      26.89954 
1 1 1 1   5  48 o 417.377  20.260  1540.68    147.648 1610.90    208.764 1470.41    208.847 423.283 28.411  403.719 29.838  19.56351       41.20092 
1 1 1 1   5  49 o 358.525  15.148  1130.96    94.827  1165.14    163.266 1113.57    116.490 360.276 26.131  354.512 18.887  5.764313       32.24224 
1 1 1 1   5  50 o 464.586  15.227  1900.39    123.524 2259.22    174.855 1542.93    174.523 505.073 19.827  415.307 24.171  89.76590       31.26310 
1 1 1 1   5  51 o 22.430   11.277  -60.1212   19.755  -139.5837  29.722  2.7584     26.439  ?       ?       46.095  19.374  0.000000       19.37401 
1 1 1 1   5  52 o 199.065  15.977  351.992    55.065  320.069    76.072  387.127    79.809  187.797 23.729  207.181 22.419  -19.38393      32.64465 
1 1 1 1   5  53 f 243.178  13.157  522.077    55.659  431.903    93.686  571.268    69.195  217.828 25.091  253.827 15.689  -35.99951      29.59212 
1 1 1 1   5  54 o 275.810  13.619  670.776    65.587  539.451    112.020 739.277    80.904  242.577 26.900  288.548 16.122  -45.97029      31.36172 
1 1 1 1   5  55 o 174.079  11.041  267.573    33.387  258.188    46.624  277.452    47.834  169.958 15.896  176.283 15.705  -6.324844      22.34518 
1 1 1 1   5  56 o 100.705  13.233  91.086     22.705  70.277     30.419  117.267    34.119  86.807  20.412  113.384 17.822  -26.57771      27.09725 
1 1 1 1   5  57 o 95.418   13.921  82.299     22.510  74.637     29.778  92.515     34.386  89.483  19.601  99.637  20.450  -10.15339      28.32692 
1 1 1 1   5  58 o 232.329  13.047  479.750    52.715  493.448    64.001  450.852    92.955  234.708 15.708  220.307 24.584  14.40025       29.17351 
1 1 1 1   5  59 o 125.310  13.632  141.178    29.347  145.725    34.937  130.278    54.086  126.611 16.173  115.849 27.203  10.76207       31.64728 
1 1 1 1   5  60 o 36.652   15.769  -0.7742    18.234  -15.1704   20.724  48.559     38.363  33.341  15.364  73.766  25.000  -40.42542      29.34366 
1 1 1 1   5  61 o 80.982   15.592  60.837     21.247  57.246     27.699  65.970     33.118  77.571  20.238  82.900  22.364  -5.328957      30.16153 
1 1 1 1   5  62 o 165.986  13.128  247.822    37.738  227.459    44.573  299.373    70.920  157.669 16.432  177.200 23.501  -19.53130      28.67603 
1 1 1 1   5  63 o 87.839   16.831  72.457     24.875  66.175     28.262  94.057     52.405  82.972  19.786  96.255  28.880  -13.28325      35.00756 
1 1 1 1   5  64 o 32.826   15.176  -15.1080   20.460  -17.8229   23.323  -6.0416    42.621  34.753  16.115  52.708  23.352  -17.95478      28.37223 
1 1 1 1   5  65 o 76.347   18.217  56.206     23.946  65.291     27.101  23.858     51.141  82.024  19.253  65.779  27.241  16.24422       33.35753 
1 1 1 1   5  66 o 69.156   17.184  46.105     20.658  29.563     27.053  69.243     31.995  58.337  20.913  83.279  21.762  -24.94183      30.18138 
1 1 1 1   5  67 o 50.718   17.461  22.743     18.727  29.678     23.687  11.183     30.584  57.098  19.639  50.562  21.013  6.536060       28.76157 
1 1 1 1   5  68 o 150.179  15.109  210.652    39.083  253.976    68.075  189.352    47.733  156.057 25.890  138.824 20.291  17.23305       32.89437 
1 1 1 1   5  69 o 73.644   20.846  55.149     28.014  125.268    51.540  25.747     33.375  106.577 27.509  57.680  22.660  48.89665       35.64023 
1 1 1 1   5  70 o 64.367   20.687  41.511     26.381  4.0984     45.224  60.809     32.480  54.736  24.162  76.145  22.711  -21.40876      33.16008 
1 1 1 1   5  71 o 143.003  15.066  194.232    37.054  278.347    63.934  151.687    45.469  163.333 23.059  120.579 22.422  42.75426       32.16297 
1 1 1 1   5  72 f 157.707  14.673  236.419    39.941  341.998    69.040  183.308    48.967  180.887 22.333  132.408 21.949  48.47968       31.31347 
1 1 1 1   5  73 o 66.869   21.029  47.430     27.378  25.146     51.540  56.190     32.315  61.228  26.427  71.642  22.882  -10.41422      34.95696 
1 1 1 1   5  74 o 30.270   14.062  -12.0627   17.885  -16.0531   20.774  -0.6295    35.163  31.738  14.878  46.573  20.883  -14.83570      25.64124 
1 1 1 1   6  0  o 227.541  12.257  454.769    48.517  470.165    59.423  423.984    84.027  231.057 14.807  218.103 22.382  12.95428       26.83627 
1 1 1 1   6  1  o 536.885  19.216  2536.41    180.138 2573.36    220.626 2462.50    312.000 539.758 23.410  523.490 34.324  16.26758       41.54675 
1 1 1 1   6  2  o 272.648  13.026  651.366    62.010  633.937    75.944  686.229    107.410 268.214 16.293  278.004 22.316  -9.789795      27.63080 
1 1 1 1   6  3  o 199.393  11.764  349.348    40.775  328.156    49.928  391.783    70.652  192.836 14.945  210.093 19.481  -17.25768      24.55371 
1 1 1 1   6  4  o 140.757  11.056  174.501    26.954  173.708    33.000  176.092    46.717  140.110 13.663  140.097 19.637  0.1304626E-01  23.92285 
1 1 1 1   6  5  o 349.340  17.765  1075.75    108.007 1075.75    108.007 0.0000     0.0000  349.340 17.765  ?       ?       0.000000       17.76543 
1 1 1 1   6  6  o 329.769  17.438  958.699    100.049 871.870    141.465 1045.59    141.516 312.508 26.166  343.045 23.773  -30.53674      35.35271 
1 1 1 1   6  7  f 387.613  19.058  1322.97    128.986 1384.82    182.412 1261.12    182.416 394.111 26.665  375.608 28.016  18.50296       38.67662 
1 1 1 1   6  8  o 256.735  15.747  581.055    70.251  621.591    99.353  540.525    99.347  264.458 21.707  246.121 23.399  18.33662       31.91754 
1 1 1 1   6  9  o 312.430  13.857  856.292    75.591  858.799    92.576  851.278    130.938 312.048 17.055  309.032 24.466  3.016571       29.82406 
1 1 1 1   6  10 o 223.895  10.469  438.879    40.925  472.383    57.894  405.414    57.860  231.554 14.391  214.269 15.572  17.28506       21.20299 
1 1 1 1   6  11 o 250.017  12.701  549.451    55.264  550.214    95.751  549.070    67.673  248.449 22.310  249.499 15.613  -1.049561      27.23017 
1 1 1 1   6  12 o 394.500  15.652  1367.82    107.815 1492.89    186.767 1305.32    132.037 408.869 26.300  384.133 19.753  24.73642       32.89197 
1 1 1 1   6  13 o 295.387  13.451  765.645    69.376  746.981    120.184 774.972    84.960  289.217 24.016  296.356 16.484  -7.138458      29.12912 
1 1 1 1   6  14 o 292.573  13.477  751.259    68.849  696.781    119.267 778.486    84.316  279.000 24.739  297.027 16.320  -18.02658      29.63708 
1 1 1 1   6  15 o 313.652  17.125  868.898    93.432  840.013    132.102 897.810    132.164 306.411 24.907  317.095 24.050  -10.68375      34.62275 
1 1 1 1   6  16 o 323.336  17.364  923.688    97.675  860.023    138.109 987.398    138.158 309.738 25.771  332.591 23.951  -22.85300      35.18189 
1 1 1 1   6  17 f 465.313  21.496  1917.25    174.648 1893.55    247.058 1940.92    246.920 457.974 31.080  463.896 30.657  -5.922394      43.65527 
1 1 1 1   6  18 o 317.745  13.981  886.789    77.566  911.769    134.589 874.367    94.913  319.368 24.318  314.534 17.349  4.833984       29.87258 
1 1 1 1   6  19 o 227.028  15.370  455.302    60.570  0.0000     0.0000  455.302    60.570  ?       ?       227.028 15.370  0.000000       15.37017 
1 1 1 1   6  20 f 180.977  14.208  289.443    44.537  0.0000     0.0000  289.443    44.537  ?       ?       180.977 14.208  0.000000       14.20826 
1 1 1 1   6  21 o 198.848  14.348  349.076    49.482  0.0000     0.0000  349.076    49.482  ?       ?       198.848 14.348  0.000000       14.34795 
1 1 1 1   6  22 o 158.445  14.200  222.180    38.869  0.0000     0.0000  222.180    38.869  ?       ?       158.445 14.200  0.000000       14.20035 
1 1 1 1   6  23 o 165.997  11.562  242.617    33.301  218.209    58.304  254.434    40.570  155.562 22.085  169.713 13.811  -14.15074      26.04772 
1 1 1 1   6  24 o 196.646  9.9920  339.364    34.196  398.329    48.540  281.264    48.182  212.714 13.133  178.240 15.640  34.47345       20.42261 
1 1 1 1   6  25 o 306.822  11.629  824.666    62.302  864.709    88.188  784.765    88.030  313.277 16.177  298.264 16.973  15.01321       23.44772 
1 1 1 1   6  26 o 340.615  12.345  1016.52    73.423  1054.39    103.910 978.760    103.761 346.322 17.184  333.102 17.906  13.21970       24.81714 
1 1 1 1   6  27 o 123.483  11.623  134.695    24.765  130.922    30.575  141.894    42.228  121.284 14.741  125.422 19.951  -4.137680      24.80584 
1 1 1 1   6  28 o 747.186  21.586  4923.20    281.617 4948.86    398.286 4897.55    398.248 745.383 30.602  741.431 30.762  3.951355       43.39148 
1 1 1 1   6  29 f 328.111  12.316  942.901    70.560  976.680    99.861  909.223    99.712  332.989 17.234  321.146 17.853  11.84296       24.81402 
1 1 1 1   6  30 o 302.396  11.499  800.526    60.714  743.198    85.725  858.226    86.002  290.411 16.980  312.328 15.822  -21.91708      23.20847 
1 1 1 1   6  31 o 196.192  10.374  337.726    35.413  291.033    49.838  385.342    50.328  181.425 15.893  209.223 13.855  -27.79872      21.08424 
1 1 1 1   6  32 o 252.397  12.524  557.959    55.192  584.739    67.703  504.900    95.298  257.758 15.109  238.071 23.221  19.68645       27.70350 
1 1 1 1   6  33 o 541.460  18.899  2578.60    178.676 2617.47    218.883 2500.95    309.335 544.555 23.020  528.009 33.729  16.54590       40.83553 
1 1 1 1   6  34 o 503.167  18.289  2225.95    160.683 2171.26    196.764 2335.42    278.401 496.005 22.719  511.029 31.352  -15.02484      38.71849 
1 1 1 1   6  35 o 358.704  14.207  1128.22    88.985  1014.46    108.816 1357.85    154.603 339.146 18.445  391.565 22.710  -52.41995      29.25693 
1 1 1 1   6  36 o 156.175  10.131  214.315    27.477  196.981    38.151  232.995    39.605  149.117 14.850  162.402 14.107  -13.28474      20.48253 
1 1 1 1   6  37 o 399.848  14.876  1402.82    103.859 1290.69    126.975 1629.50    180.536 382.932 18.990  428.518 24.228  -45.58615      30.78346 
1 1 1 1   6  38 o 81.234   14.414  59.603     19.696  75.638     23.124  17.226     37.590  91.672  14.963  60.296  23.933  31.37593       28.22538 
1 1 1 1   6  39 o 399.521  14.492  1400.58    101.096 1252.87    123.467 1701.10    176.104 377.226 18.745  438.015 23.108  -60.78873      29.75473 
1 1 1 1   6  40 o 188.608  11.619  312.785    38.077  283.029    46.027  377.317    67.781  178.951 14.865  206.102 19.051  -27.15086      24.16377 
1 1 1 1   6  41 f 439.406  13.750  1693.95    105.494 1472.81    148.893 1916.87    149.491 407.876 20.978  466.532 18.352  -58.65518      27.87186 
1 1 1 1   6  42 o 343.616  12.072  1034.90    72.429  945.551    102.035 1125.65    102.829 327.191 17.928  357.757 16.461  -30.56635      24.33936 
1 1 1 1   6  43 o 521.924  16.370  2396.40    149.185 2330.18    210.842 2462.80    211.117 512.581 23.558  527.180 22.935  -14.59900      32.87832 
1 1 1 1   6  44 o 421.027  16.366  1560.07    120.315 1546.49    207.534 1566.94    147.661 414.789 28.834  421.103 20.082  -6.313721      35.13842 
1 1 1 1   6  45 o 519.034  18.881  2378.70    171.110 2373.96    295.485 2381.10    209.882 511.533 33.263  517.806 23.214  -6.273163      40.56259 
1 1 1 1   6  46 o 378.882  15.397  1263.36    101.862 1233.90    174.871 1278.49    125.317 370.377 27.231  380.381 18.868  -10.00421      33.12926 
1 1 1 1   6  47 o 297.628  12.645  777.864    65.714  731.580    92.054  825.961    93.839  287.129 18.459  305.357 17.676  -18.22775      25.55705 
1 1 1 1   6  48 o 533.919  16.498  2515.35    153.805 2554.90    217.052 2475.47    217.976 535.330 23.221  526.715 23.701  8.614990       33.18071 
1 1 1 1   6  49 o 358.711  13.253  1131.78    83.007  1023.38    117.041 1241.48    117.741 338.984 19.861  374.517 18.005  -35.53320      26.80725 
1 1 1 1   6  50 o 191.224  11.606  322.409    38.569  319.709    54.295  325.159    54.797  189.455 16.580  191.071 16.589  -1.616364      23.45447 
1 1 1 1   6  51 o 359.833  15.274  1143.97    95.965  1048.15    165.931 1192.13    117.633 338.537 28.331  365.886 18.473  -27.34891      33.82175 
1 1 1 1   6  52 o 240.965  13.284  513.556    55.677  466.452    96.269  537.230    68.250  225.987 24.805  245.772 15.991  -19.78441      29.51271 
1 1 1 1   6  53 o 53.453   18.606  22.995     21.290  32.313     37.057  18.404     26.011  66.112  24.363  53.279  20.247  12.83304       31.67777 
1 1 1 1   6  54 o 238.791  13.273  505.693    55.125  476.882    95.559  520.063    67.485  227.699 24.416  241.292 16.110  -13.59319      29.25229 
1 1 1 1   6  55 o 234.263  13.342  487.598    54.348  535.873    66.682  392.083    93.796  244.827 15.681  204.506 26.922  40.32085       31.15574 
1 1 1 1   6  56 o 148.879  13.840  198.523    35.565  183.501    44.399  225.423    59.413  141.721 18.375  155.719 22.504  -13.99826      29.05273 
1 1 1 1   6  57 o 171.897  13.170  264.064    39.227  283.851    48.520  226.725    66.653  177.370 15.833  154.326 25.635  23.04343       30.13037 
1 1 1 1   6  58 o 246.336  11.425  537.805    49.140  527.870    68.990  548.037    70.011  241.617 16.451  246.247 16.376  -4.630035      23.21244 
1 1 1 1   6  59 o 154.498  11.228  212.871    30.081  201.849    41.797  224.716    43.327  148.677 16.372  157.098 16.019  -8.420975      22.90533 
1 1 1 1   6  60 o 145.243  11.426  188.767    28.744  178.386    39.929  199.933    41.412  139.244 16.759  147.691 16.332  -8.446671      23.40105 
1 1 1 1   6  61 o 65.211   16.529  40.227     18.845  39.523     25.513  41.072     27.956  64.975  20.278  66.381  21.292  -1.406097      29.40322 
1 1 1 1   6  62 o 112.050  12.379  113.907    23.814  96.622     32.843  133.068    34.580  100.387 19.440  119.322 17.085  -18.93439      25.88039 
1 1 1 1   6  63 o 46.106   17.609  14.791     19.738  17.577     22.793  6.4398     39.466  49.600  18.928  54.397  23.296  -4.796524      30.01648 
1 1 1 1   6  64 o 33.351   14.873  -5.4556    17.580  -15.3722   20.057  27.417     36.517  32.144  14.919  60.745  23.749  -28.60130      28.04642 
1 1 1 1   6  65 o 141.292  17.841  190.212    43.034  210.398    59.270  167.704    62.584  143.745 24.492  124.101 29.344  19.64436       38.22224 
1 1 1 1   6  66 o 127.750  15.049  152.920    32.925  124.231    57.325  167.044    40.222  104.998 29.854  131.779 17.947  -26.78037      34.83304 
1 1 1 1   6  67 o 63.500   19.511  39.929     23.722  43.890     42.609  38.150     28.558  68.320  25.926  62.777  21.566  5.543407       33.72247 
1 1 1 1   6  68 o 59.021   19.207  34.034     22.695  27.935     37.625  37.522     28.453  59.691  23.863  62.031  21.514  -2.339680      32.12921 
1 1 1 1   6  69 o 135.445  11.995  169.368    28.075  181.721    38.799  155.793    40.675  137.123 16.539  124.767 19.293  12.35579       25.41206 
1 1 1 1   6  70 o 28.852   13.347  -10.7304   15.859  4.5174     20.460  -33.6817   25.102  39.765  16.895  31.354  15.147  8.410124       22.69091 
1 1 1 1   6  71 o 139.035  12.106  180.196    29.096  168.264    40.182  193.349    42.188  129.316 18.307  139.238 17.757  -9.922012      25.50427 
1 1 1 1   6  72 o 54.288   17.699  29.585     19.266  35.712     25.727  21.764     29.071  58.915  20.456  52.112  20.925  6.802994       29.26254 
1 1 1 1   7  0  o 63.130   11.208  35.969     11.902  37.154     14.540  33.561     20.721  63.865  13.463  61.235  18.112  2.629612       22.56762 
1 1 1 1   7  1  f 201.015  14.613  356.985    50.939  356.985    50.939  0.0000     0.0000  201.015 14.613  ?       ?       0.000000       14.61304 
1 1 1 1   7  2  o 148.579  10.846  194.467    27.942  194.467    27.942  0.0000     0.0000  148.579 10.846  ?       ?       0.000000       10.84562 
1 1 1 1   7  3  o 318.531  11.838  889.740    65.843  870.758    76.032  946.663    131.665 314.861 13.830  325.707 23.306  -10.84601      27.10004 
1 1 1 1   7  4  o 143.046  9.7302  180.004    24.159  186.406    27.915  160.904    48.218  145.420 11.077  133.178 21.465  12.24254       24.15515 
1 1 1 1   7  5  o 43.274   9.9191  17.057     7.3347  12.874     8.4511  29.824     14.765  38.249  11.625  57.177  14.706  -18.92817      18.74595 
1 1 1 1   7  6  o 266.086  10.808  620.441    50.214  644.078    57.990  549.613    100.383 270.962 12.257  247.670 23.494  23.29170       26.49886 
1 1 1 1   7  7  o 28.016   8.8977  6.7335     4.8914  8.5328     5.6404  1.2761     9.8230  31.182  9.5015  28.429  11.869  2.752436       15.20403 
1 1 1 1   7  8  o 40.976   9.8086  15.295     6.9244  17.386     9.8991  13.292     9.6895  43.936  12.376  39.335  12.526  4.600487       17.60877 
1 1 1 1   7  9  o 318.443  14.001  890.884    77.848  899.599    95.351  873.461    134.816 319.044 17.180  312.269 24.934  6.775940       30.27917 
1 1 1 1   7  10 o 322.617  14.088  914.431    79.358  913.627    97.200  916.040    137.436 321.492 17.380  319.891 24.799  1.600708       30.28331 
1 1 1 1   7  11 o 249.612  12.624  548.080    54.844  523.730    67.160  596.824    95.021  243.449 15.886  258.791 21.215  -15.34181      26.50376 
1 1 1 1   7  12 o 444.112  16.634  1736.77    128.989 1769.33    158.007 1671.72    223.334 447.341 20.229  430.692 29.883  16.64899       36.08592 
1 1 1 1   7  13 o 159.869  11.271  225.100    31.261  246.068    54.653  214.903    38.112  165.877 19.226  155.785 14.166  10.09167       23.88114 
1 1 1 1   7  14 o 239.836  11.918  504.325    49.911  640.858    86.821  436.932    60.998  268.918 18.605  222.330 15.816  46.58809       24.41873 
1 1 1 1   7  15 o 453.236  20.727  1816.13    164.027 0.0000     0.0000  1816.13    164.027 ?       ?       453.236 20.727  0.000000       20.72657 
1 1 1 1   7  16 o 509.629  22.851  2301.44    203.335 2303.81    287.548 2299.06    287.571 505.001 32.788  504.458 32.827  0.5427856      46.39651 
1 1 1 1   7  17 o 407.276  15.980  1458.46    113.639 1427.93    196.791 1473.73    139.193 399.007 28.432  408.695 19.505  -9.688660      34.47978 
1 1 1 1   7  18 f 189.636  11.661  316.283    38.426  324.171    66.624  312.352    47.037  190.594 20.334  188.080 14.433  2.514374       24.93542 
1 1 1 1   7  19 o 212.590  10.753  396.740    39.784  372.145    56.381  421.129    56.145  205.200 15.859  218.524 14.802  -13.32365      21.69346 
1 1 1 1   7  20 o 520.174  16.225  2377.49    147.368 2476.62    208.454 2278.44    208.365 529.332 22.554  507.440 23.517  21.89188       32.58391 
1 1 1 1   7  21 o 508.140  15.900  2267.56    141.074 2359.91    199.557 2175.30    199.462 516.968 22.108  496.097 23.027  20.87070       31.92129 
1 1 1 1   7  22 o 348.297  12.411  1062.79    75.476  1170.17    106.856 955.880    106.624 364.943 16.769  329.081 18.633  35.86157       25.06748 
1 1 1 1   7  23 o 266.447  10.896  621.443    50.692  690.508    71.866  553.050    71.515  280.173 14.742  250.405 16.448  29.76775       22.08783 
1 1 1 1   7  24 o 172.166  9.7164  260.135    29.090  268.647    41.469  251.889    40.817  174.526 13.719  168.929 13.963  5.597321       19.57480 
1 1 1 1   7  25 o 457.774  14.663  1838.01    117.206 1941.54    165.832 1734.68    165.676 469.510 20.228  443.564 21.391  25.94595       29.44112 
1 1 1 1   7  26 o 218.673  9.9685  418.361    38.062  398.905    53.798  437.859    53.856  212.779 14.568  223.060 13.897  -10.28133      20.13315 
1 1 1 1   7  27 o 331.020  11.809  959.491    68.254  905.658    96.484  1013.41    96.566  320.594 17.300  339.739 16.279  -19.14444      23.75472 
1 1 1 1   7  28 o 306.813  13.992  825.301    74.960  804.604    91.898  866.450    129.578 302.088 17.497  312.221 23.951  -10.13315      29.66187 
1 1 1 1   7  29 o 414.448  16.119  1508.09    116.650 1504.99    142.910 1514.27    201.920 413.430 19.797  411.987 28.240  1.442780       34.48768 
1 1 1 1   7  30 o 348.914  14.705  1067.94    89.584  988.938    109.709 1226.02    155.191 334.731 18.848  371.622 24.046  -36.89166      30.55191 
1 1 1 1   7  31 o 178.691  11.829  280.861    36.698  270.746    44.974  301.016    63.484  175.046 14.855  183.782 20.111  -8.736343      25.00264 
1 1 1 1   7  32 o 562.224  17.218  2778.55    169.029 2617.05    238.974 2940.24    239.113 543.538 25.180  576.583 23.751  -33.04443      34.61423 
1 1 1 1   7  33 o 620.663  21.059  3398.46    228.218 3239.88    279.408 3716.32    395.570 604.185 26.485  642.077 35.421  -37.89258      44.22782 
1 1 1 1   7  34 o 241.890  12.909  514.328    54.326  518.807    66.333  505.204    94.677  242.543 15.748  237.950 23.078  4.592224       27.93898 
1 1 1 1   7  35 o 135.877  11.933  162.990    28.024  157.555    33.943  174.631    49.670  133.160 14.852  139.139 21.107  -5.979813      25.80873 
1 1 1 1   7  36 f 392.995  15.329  1356.54    105.189 1316.06    128.646 1438.20    182.715 386.450 19.065  401.524 26.205  -15.07364      32.40664 
1 1 1 1   7  37 o 237.887  12.635  497.543    52.293  479.103    63.759  535.438    91.401  232.964 15.767  245.219 21.566  -12.25565      26.71520 
1 1 1 1   7  38 o 370.014  15.285  1203.03    98.754  1187.89    120.859 1233.43    171.299 366.572 18.947  371.351 26.595  -4.778687      32.65374 
1 1 1 1   7  39 o 529.019  16.486  2462.51    152.280 2361.67    215.161 2563.72    215.553 515.866 23.887  537.815 22.954  -21.94965      33.12830 
1 1 1 1   7  40 o 337.739  17.804  1008.13    104.622 0.0000     0.0000  1008.13    104.622 ?       ?       337.739 17.804  0.000000       17.80391 
1 1 1 1   7  41 o 168.527  15.968  252.153    46.427  0.0000     0.0000  252.153    46.427  ?       ?       168.527 15.968  0.000000       15.96799 
1 1 1 1   7  42 o 169.218  13.098  252.916    38.399  279.866    64.596  238.189    47.752  176.456 21.404  163.530 16.971  12.92619       27.31531 
1 1 1 1   7  43 o 247.579  13.489  540.182    58.092  663.981    100.332 477.750    71.250  272.804 21.231  231.975 17.725  40.82919       27.65688 
1 1 1 1   7  44 o ?        ?       -212.4306  8.6928  -198.6702  11.459  -231.0841  13.342  ?       ?       ?       ?       0.000000       ?        
1 1 1 1   7  45 o 401.257  13.795  1416.59    96.650  1456.97    135.944 1375.33    137.437 405.469 19.202  393.185 20.086  12.28412       27.78769 
1 1 1 1   7  46 o 171.737  11.421  260.098    34.053  253.307    47.290  267.411    49.076  168.598 16.266  173.236 16.420  -4.637268      23.11292 
1 1 1 1   7  47 o 130.029  11.889  149.829    26.695  132.873    37.267  167.698    38.257  121.132 18.181  136.784 16.342  -15.65257      24.44607 
1 1 1 1   7  48 o 277.388  13.671  678.366    66.214  789.280    115.980 624.735    80.649  295.919 22.618  264.814 17.541  31.10580       28.62272 
1 1 1 1   7  49 o 263.697  13.521  615.096    62.048  645.130    107.812 600.221    75.873  266.696 23.388  259.552 16.833  7.143707       28.81570 
1 1 1 1   7  50 o 212.156  16.143  401.796    59.352  0.0000     0.0000  401.796    59.352  ?       ?       212.156 16.143  0.000000       16.14318 
1 1 1 1   7  51 o 26.324   12.493  -18.9023   15.492  -8.6341    31.034  -22.3100   17.878  45.145  19.967  28.104  13.362  17.04085       24.02582 
1 1 1 1   7  52 o 183.737  22.891  311.373    71.846  0.0000     0.0000  311.373    71.846  ?       ?       183.737 22.891  0.000000       22.89099 
1 1 1 1   7  53 o 224.312  23.707  466.060    91.446  0.0000     0.0000  466.060    91.446  ?       ?       224.312 23.707  0.000000       23.70727 
1 1 1 1   7  54 o 123.260  17.302  139.094    36.212  128.913    51.659  148.931    50.777  115.472 26.220  125.134 24.114  -9.662292      35.62252 
1 1 1 1   7  55 o 233.718  11.481  484.081    46.852  481.543    66.380  486.600    66.137  230.712 16.589  232.001 16.433  -1.288971      23.34993 
1 1 1 1   7  56 o 75.667   15.524  53.263     19.823  46.892     28.423  59.298     27.661  70.709  21.281  78.938  20.034  -8.229218      29.22752 
1 1 1 1   7  57 o 67.947   16.419  43.444     19.263  44.946     27.597  42.017     26.900  69.129  21.006  67.115  20.802  2.013748       29.56354 
1 1 1 1   7  58 o 69.113   16.357  45.103     19.433  56.842     27.866  33.989     27.113  76.813  20.424  61.812  21.016  15.00102       29.30585 
1 1 1 1   7  59 o 29.385   13.708  -15.2666   17.283  3.5987     31.936  -23.0800   20.553  49.140  20.998  30.469  14.440  18.67104       25.48401 
1 1 1 1   7  60 o 240.163  11.651  516.931    48.858  576.761    69.742  459.271    68.466  250.367 16.038  221.988 17.814  28.37898       23.96968 
1 1 1 1   7  61 o 146.541  11.784  194.238    29.896  210.058    42.795  179.158    41.783  149.939 16.626  137.708 17.793  12.23070       24.35207 
1 1 1 1   7  62 o 114.027  14.730  121.030    28.641  183.742    48.715  87.900     35.408  136.915 21.051  93.439  22.057  43.47625       30.49030 
1 1 1 1   7  63 o 98.381   20.355  96.263     33.812  107.911    48.533  85.277     47.133  100.000 27.114  88.881  27.534  11.11827       38.64251 
1 1 1 1   7  64 o 35.499   16.453  -16.4192   24.271  -19.6542   33.879  -13.0083   34.788  42.090  19.483  44.492  20.278  -2.401936      28.12096 
1 1 1 1   7  65 o 156.947  17.504  237.720    47.151  266.780    67.256  209.632    66.122  158.999 25.055  137.125 28.545  21.87418       37.98110 
1 1 1 1   7  66 o 97.395   13.735  89.484     22.710  111.817    31.569  65.532     32.693  106.743 17.548  78.610  22.608  28.13196       28.61922 
1 1 1 1   7  67 o 54.785   17.569  29.320     19.036  27.026     26.869  31.632     26.973  55.068  20.656  57.710  20.858  -2.642151      29.35507 
1 1 1 1   7  68 o 61.660   19.540  38.952     23.601  51.258     42.942  33.626     28.249  69.212  26.083  58.715  21.326  10.49677       33.69213 
1 1 1 1   7  69 o 33.571   14.510  0.8606     15.583  -1.6765    20.482  4.3479     24.013  36.716  16.231  41.878  18.057  -5.161472      24.27968 
1 1 1 1   7  70 o 38.047   15.656  7.4761     16.746  25.234     22.498  -14.5859   25.077  51.667  18.991  35.733  16.617  15.93380       25.23468 
1 1 1 1   8  0  o 224.429  11.927  442.724    46.571  534.304    80.937  397.396    56.942  245.426 19.036  212.084 15.484  33.34129       24.53791 
1 1 1 1   8  1  o 263.537  15.611  612.579    71.516  673.491    101.288 552.025    100.989 275.221 21.242  248.467 23.560  26.75449       31.72151 
1 1 1 1   8  2  o 345.763  14.475  1049.85    87.387  1034.20    107.061 1081.08    151.263 342.177 17.982  347.998 25.062  -5.821198      30.84549 
1 1 1 1   8  3  o 234.313  12.225  482.604    49.843  452.940    61.105  541.584    86.161  226.492 15.545  246.882 20.164  -20.39059      25.46029 
1 1 1 1   8  4  o 219.960  12.286  425.458    46.998  425.458    46.998  0.0000     0.0000  219.960 12.286  ?       ?       0.000000       12.28595 
1 1 1 1   8  5  o 470.239  17.301  1946.25    142.051 1946.25    142.051 0.0000     0.0000  470.239 17.301  ?       ?       0.000000       17.30070 
1 1 1 1   8  6  o 240.864  12.262  509.850    51.400  509.850    51.400  0.0000     0.0000  240.864 12.262  ?       ?       0.000000       12.26227 
1 1 1 1   8  7  o 259.946  15.521  595.765    70.125  652.491    99.372  539.494    98.973  270.983 21.170  245.761 23.345  25.22270       31.51405 
1 1 1 1   8  8  o 333.216  16.616  976.297    96.673  1153.47    136.971 800.439    136.462 360.621 21.856  299.002 26.410  61.61942       34.28052 
1 1 1 1   8  9  o 418.914  28.803  1571.35    209.404 0.0000     0.0000  1571.35    209.404 ?       ?       418.914 28.803  0.000000       28.80349 
1 1 1 1   8  10 o 356.610  18.277  1122.34    113.421 0.0000     0.0000  1122.34    113.421 ?       ?       356.610 18.277  0.000000       18.27679 
1 1 1 1   8  11 o 120.391  10.940  127.945    22.746  158.529    39.526  112.802    27.812  133.154 17.418  112.465 14.501  20.68945       22.66427 
1 1 1 1   8  12 o 369.382  14.981  1197.62    96.626  1359.75    167.441 1116.67    118.314 391.067 24.648  355.580 19.126  35.48666       31.19826 
1 1 1 1   8  13 o 545.655  19.409  2622.53    184.916 2558.19    320.278 2654.71    226.477 532.787 34.616  547.812 23.677  -15.02472      41.93857 
1 1 1 1   8  14 o 440.222  14.387  1700.11    110.584 1738.29    156.426 1661.97    156.353 444.104 20.173  434.152 20.625  9.952209       28.85027 
1 1 1 1   8  15 o 426.586  13.890  1595.81    103.459 1707.89    146.379 1483.92    146.248 440.455 19.033  410.304 20.414  30.15060       27.91032 
1 1 1 1   8  16 o 501.281  15.528  2205.90    135.909 2223.39    192.231 2188.41    192.178 501.897 21.935  497.890 22.106  4.006805       31.14214 
1 1 1 1   8  17 o 142.455  9.6351  178.348    23.825  188.332    33.926  168.634    33.466  145.962 13.463  137.963 14.090  7.999146       19.48835 
1 1 1 1   8  18 o 400.804  13.031  1407.86    91.198  1469.26    129.030 1346.57    128.918 408.729 18.080  391.163 18.875  17.56631       26.13716 
1 1 1 1   8  19 o 436.508  14.415  1671.24    109.869 1730.70    155.431 1611.87    155.325 443.237 20.083  427.611 20.803  15.62659       28.91578 
1 1 1 1   8  20 o 644.729  18.918  3658.20    212.963 4003.59    301.217 3312.99    301.135 672.229 25.663  610.567 28.246  61.66174       38.16318 
1 1 1 1   8  21 o 70.284   10.663  44.212     12.675  42.775     18.541  45.473     17.367  68.448  15.829  70.719  14.550  -2.271095      21.50019 
1 1 1 1   8  22 o 311.833  11.444  851.458    62.313  912.130    88.123  790.784    88.125  322.336 15.657  299.524 16.919  22.81216       23.05259 
1 1 1 1   8  23 o 126.659  10.150  141.282    22.259  133.868    31.025  149.146    31.953  122.649 14.786  129.616 14.360  -6.966751      20.61099 
1 1 1 1   8  24 o 300.991  13.675  794.358    71.868  740.571    87.965  902.333    124.633 289.712 17.471  318.852 22.531  -29.14020      28.51131 
1 1 1 1   8  25 o 217.193  12.190  414.564    46.043  374.847    56.370  494.173    79.807  206.012 15.791  236.072 19.537  -30.05930      25.12052 
1 1 1 1   8  26 o 578.579  24.829  2965.66    250.837 2965.66    250.837 0.0000     0.0000  578.579 24.829  ?       ?       0.000000       24.82945 
1 1 1 1   8  27 o 222.540  12.410  435.327    48.031  381.065    58.734  544.866    83.450  207.615 16.334  247.939 19.432  -40.32355      25.38481 
1 1 1 1   8  28 o 369.083  12.684  1194.04    81.743  1011.10    115.389 1378.33    115.815 338.141 19.628  395.956 16.752  -57.81488      25.80455 
1 1 1 1   8  29 f 65.347   14.762  38.971     16.446  50.997     19.193  5.7415     31.903  74.873  15.200  51.705  21.472  23.16830       26.30768 
1 1 1 1   8  30 o 498.221  17.988  2185.41    156.484 2075.31    191.496 2406.70    271.482 484.323 22.644  518.114 30.139  -33.79105      37.69811 
1 1 1 1   8  31 o 369.384  14.322  1197.77    92.371  1065.30    112.899 1466.01    160.654 347.202 18.692  406.362 22.733  -59.15973      29.43096 
1 1 1 1   8  32 o 192.173  11.392  324.701    38.054  273.742    46.191  432.344    67.134  175.870 15.191  220.917 17.549  -45.04651      23.21033 
1 1 1 1   8  33 f 127.419  11.900  143.542    26.170  130.915    31.670  170.726    46.469  121.107 15.319  137.690 19.906  -16.58350      25.11840 
1 1 1 1   8  34 o 269.941  13.168  639.434    62.066  616.611    75.849  685.684    107.974 264.189 16.526  277.309 22.493  -13.11990      27.91135 
1 1 1 1   8  35 o 159.474  12.234  224.346    33.808  219.082    41.288  235.057    58.894  157.128 15.241  161.605 21.398  -4.476227      26.27050 
1 1 1 1   8  36 o 34.179   14.639  -0.8130    15.588  25.468     21.795  -28.3306   22.302  55.689  18.843  31.354  14.912  24.33453       24.03024 
1 1 1 1   8  37 o 183.314  15.392  297.744    48.810  313.556    68.911  281.824    69.145  186.892 21.510  176.712 22.951  10.17941       31.45513 
1 1 1 1   8  38 o 339.098  14.724  1011.58    87.182  998.623    151.085 1018.05    106.746 333.243 26.176  339.058 18.096  -5.815186      31.82246 
1 1 1 1   8  39 o 284.072  17.121  714.714    84.527  686.034    119.814 743.133    119.267 276.026 25.135  287.758 23.955  -11.73129      34.72177 
1 1 1 1   8  40 o ?        ?       -262.7917  8.2772  -366.6958  11.846  -163.6560  11.571  ?       ?       ?       ?       0.000000       ?        
1 1 1 1   8  41 o 431.288  15.024  1639.37    113.142 1514.06    158.439 1769.76    161.622 411.662 22.124  446.211 20.744  -34.54919      30.32778 
1 1 1 1   8  42 o ?        ?       -362.4821  8.1461  -353.5537  11.700  -370.8813  11.348  ?       ?       ?       ?       0.000000       ?        
1 1 1 1   8  43 o 282.348  14.103  702.727    69.528  737.360    118.152 684.380    85.994  285.758 23.899  277.291 17.856  8.466492       29.83317 
1 1 1 1   8  44 o 290.643  11.589  742.717    58.812  619.337    81.595  876.122    84.845  263.568 17.835  314.811 15.435  -51.24310      23.58685 
1 1 1 1   8  45 o 179.744  11.175  285.162    34.897  242.404    47.797  333.974    51.070  164.464 16.884  193.725 15.220  -29.26025      22.73160 
1 1 1 1   8  46 o 279.533  13.558  690.146    66.174  613.880    80.819  845.281    115.267 261.988 17.773  305.908 21.721  -43.91983      28.06550 
1 1 1 1   8  47 o 89.403   13.149  72.081     19.912  60.663     26.093  88.003     30.813  80.789  18.843  97.657  18.752  -16.86837      26.58391 
1 1 1 1   8  48 o 93.991   18.163  81.622     28.730  75.930     37.752  89.456     44.285  89.687  23.737  96.997  25.727  -7.310303      35.00402 
1 1 1 1   8  49 o 104.108  18.006  99.840     31.547  92.457     42.694  108.719    46.820  98.435  24.840  106.607 25.496  -8.172234      35.59579 
1 1 1 1   8  50 o 213.721  15.910  410.647    58.945  363.437    82.220  460.573    84.551  197.181 24.402  223.598 21.939  -26.41705      32.81432 
1 1 1 1   8  51 o 37.662   16.425  -3.0792    20.333  2.2477     25.913  -11.6135   32.800  44.866  19.036  45.221  20.231  -0.3552818     27.77847 
1 1 1 1   8  52 o 179.244  12.913  287.497    40.145  240.644    67.889  312.690    49.781  158.478 25.391  186.011 15.468  -27.53293      29.73147 
1 1 1 1   8  53 o 101.497  12.930  93.305     22.394  74.653     31.112  113.356    32.259  88.393  20.548  110.621 17.265  -22.22798      26.83854 
1 1 1 1   8  54 o 55.850   16.494  28.859     17.196  20.713     23.679  37.948     25.013  52.439  19.446  64.017  20.095  -11.57814      27.96342 
1 1 1 1   8  55 o 118.232  12.124  126.176    24.675  104.295    34.966  147.882    34.826  104.520 19.886  126.603 16.120  -22.08288      25.59915 
1 1 1 1   8  56 o 47.375   16.857  18.309     17.548  22.848     25.170  14.016     24.477  54.100  20.051  48.815  19.333  5.284840       27.85306 
1 1 1 1   8  57 o 57.926   17.045  31.672     18.395  29.669     26.049  33.666     25.980  58.306  20.561  60.773  20.573  -2.467026      29.08609 
1 1 1 1   8  58 o 94.137   13.887  82.142     22.140  79.758     31.280  84.535     31.342  90.008  20.377  92.938  19.913  -2.929802      28.49162 
1 1 1 1   8  59 o 46.253   17.513  15.778     19.416  10.643     34.617  18.135     23.453  52.640  22.149  49.917  19.164  2.723373       29.28913 
1 1 1 1   8  60 o 51.181   18.109  22.854     20.223  19.890     35.795  24.243     24.509  56.559  23.036  53.743  19.812  2.815281       30.38353 
1 1 1 1   8  61 o 32.643   14.647  -5.9095    17.327  21.050     30.880  -18.2985   20.933  54.513  21.675  31.835  14.927  22.67795       26.31759 
1 1 1 1   8  62 f 101.749  27.786  116.669    50.756  0.0000     0.0000  116.669    50.756  ?       ?       101.749 27.786  0.000000       27.78595 
1 1 1 1   8  63 o 94.305   16.633  86.812     26.388  78.990     32.658  101.521    44.786  86.868  21.618  95.307  26.131  -8.439072      33.91424 
1 1 1 1   8  64 o 85.434   17.908  73.245     25.860  83.551     31.450  51.732     45.439  89.674  20.529  70.339  26.753  19.33548       33.72193 
1 1 1 1   8  65 o 51.447   17.880  25.021     19.659  26.917     23.671  20.806     35.294  53.730  19.521  54.752  22.648  -1.021393      29.90017 
1 1 1 1   8  66 o 94.857   14.015  86.583     22.514  80.393     31.828  92.781     31.851  86.385  21.248  94.012  20.017  -7.626900      29.19178 
1 1 1 1   8  67 o 50.314   17.063  24.708     17.871  43.898     23.936  0.5398     26.863  64.263  19.571  41.987  18.573  22.27642       26.98173 
1 1 1 1   8  68 o 21.751   10.604  -21.6348   13.066  -12.1716   17.026  -35.1930   20.379  29.190  13.614  26.388  12.944  2.802826       18.78521 
1 1 1 1   9  0  o 110.625  11.003  108.194    20.971  112.788    25.864  99.376     35.832  112.639 13.414  104.431 20.382  8.208046       24.40029 
1 1 1 1   9  1  o 147.130  13.883  191.505    35.244  196.504    50.182  186.639    49.509  148.051 19.917  144.161 20.225  3.889664       28.38610 
1 1 1 1   9  2  f 402.018  28.038  1443.45    195.581 0.0000     0.0000  1443.45    195.581 ?       ?       402.018 28.038  0.000000       28.03797 
1 1 1 1   9  3  o 414.519  28.568  1535.51    205.510 0.0000     0.0000  1535.51    205.510 ?       ?       414.519 28.568  0.000000       28.56836 
1 1 1 1   9  4  o 314.010  24.547  878.054    133.519 0.0000     0.0000  878.054    133.519 ?       ?       314.010 24.547  0.000000       24.54740 
1 1 1 1   9  5  o 132.621  13.980  155.946    31.886  143.451    45.333  168.180    44.857  125.815 21.402  136.886 19.304  -11.07029      28.82144 
1 1 1 1   9  6  o 125.604  12.685  139.648    27.440  208.398    39.186  73.501     38.436  153.404 14.814  89.621  24.058  63.78299       28.25281 
1 1 1 1   9  7  o 306.618  16.762  828.614    89.402  882.039    126.605 775.479    126.262 315.053 23.177  294.929 24.747  20.12335       33.90596 
1 1 1 1   9  8  o 243.218  15.806  521.629    66.759  424.141    94.510  618.714    94.315  217.369 25.379  264.119 20.614  -46.75018      32.69612 
1 1 1 1   9  9  o 146.209  14.027  189.193    35.370  189.193    35.370  0.0000     0.0000  146.209 14.027  ?       ?       0.000000       14.02680 
1 1 1 1   9  10 o 114.616  14.347  117.023    28.083  117.023    28.083  0.0000     0.0000  114.616 14.347  ?       ?       0.000000       14.34670 
1 1 1 1   9  11 o 278.654  16.000  684.224    77.523  684.224    77.523  0.0000     0.0000  278.654 16.000  ?       ?       0.000000       16.00032 
1 1 1 1   9  12 o 663.799  27.306  3915.23    316.492 3915.23    316.492 0.0000     0.0000  663.799 27.306  ?       ?       0.000000       27.30639 
1 1 1 1   9  13 o 233.835  12.186  480.357    49.584  468.648    60.840  503.518    85.568  230.559 15.198  238.044 20.796  -7.484894      25.75727 
1 1 1 1   9  14 o 743.124  24.796  4892.84    321.741 5049.09    394.081 4580.48    557.186 752.347 29.999  705.678 45.462  46.66943       54.46764 
1 1 1 1   9  15 o 476.258  17.140  1994.43    142.532 2025.36    174.612 1932.67    246.742 479.114 20.872  464.285 30.608  14.82867       37.04757 
1 1 1 1   9  16 o 322.894  13.044  914.051    73.540  787.464    89.861  1170.77    127.969 298.740 17.301  363.825 20.224  -65.08475      26.61463 
1 1 1 1   9  17 o 404.758  15.743  1439.13    111.262 1393.25    136.174 1531.28    192.975 397.579 19.616  414.283 26.821  -16.70386      33.22901 
1 1 1 1   9  18 o 522.782  18.443  2406.53    168.351 2264.39    206.071 2691.76    291.922 505.816 23.332  548.013 30.630  -42.19742      38.50495 
1 1 1 1   9  19 o 266.299  15.865  625.279    73.433  625.279    73.433  0.0000     0.0000  266.299 15.865  ?       ?       0.000000       15.86481 
1 1 1 1   9  20 o 248.352  15.029  543.592    64.864  543.592    64.864  0.0000     0.0000  248.352 15.029  ?       ?       0.000000       15.02871 
1 1 1 1   9  21 o 203.088  14.679  363.986    51.701  363.986    51.701  0.0000     0.0000  203.088 14.679  ?       ?       0.000000       14.67877 
1 1 1 1   9  22 o 123.074  14.453  134.777    30.468  134.777    30.468  0.0000     0.0000  123.074 14.453  ?       ?       0.000000       14.45325 
1 1 1 1   9  23 o 304.605  12.631  813.581    67.178  684.758    82.060  1075.33    116.970 278.461 16.958  348.666 19.288  -70.20544      25.68309 
1 1 1 1   9  24 o 150.763  11.846  200.431    30.932  191.404    37.703  219.016    54.099  146.870 14.909  156.224 20.313  -9.354858      25.19705 
1 1 1 1   9  25 o 208.684  12.176  383.098    44.174  360.567    53.882  429.282    77.143  201.964 15.395  219.539 20.356  -17.57455      25.52222 
1 1 1 1   9  26 o 328.228  17.491  951.625    99.882  870.989    140.890 1033.10    141.621 311.718 26.127  340.331 23.986  -28.61316      35.46694 
1 1 1 1   9  27 o 234.061  12.619  481.967    51.384  503.015    62.956  439.964    88.933  238.733 15.182  221.508 23.345  17.22537       27.84766 
1 1 1 1   9  28 o 120.009  12.561  127.711    25.930  138.435    31.704  106.044    45.065  124.632 14.862  107.132 24.609  17.49992       28.74860 
1 1 1 1   9  29 o 344.424  14.617  1042.76    87.903  1020.59    107.586 1087.28    152.457 339.636 18.208  348.509 25.224  -8.873138      31.10941 
1 1 1 1   9  30 o 377.330  13.317  1250.33    87.738  1213.36    124.090 1287.28    124.070 370.044 19.272  381.802 18.611  -11.75848      26.79124 
1 1 1 1   9  31 o 67.734   14.806  41.913     17.022  48.184     23.801  35.347     24.355  72.500  18.684  63.439  19.815  9.060940       27.23482 
1 1 1 1   9  32 o 229.168  13.211  462.879    52.638  449.483    91.602  469.484    64.318  223.445 23.847  230.281 16.097  -6.835846      28.77153 
1 1 1 1   9  33 o 265.026  13.686  619.131    63.116  557.370    109.780 649.627    77.141  248.391 25.683  270.940 16.383  -22.54904      30.46325 
1 1 1 1   9  34 o 445.425  17.186  1752.27    133.662 1706.29    231.476 1775.26    163.714 433.103 30.810  447.085 20.972  -13.98135      37.27030 
1 1 1 1   9  35 o 156.015  13.559  215.697    36.569  287.906    61.386  175.976    45.529  179.071 19.973  139.674 19.174  39.39697       27.68708 
1 1 1 1   9  36 o 345.446  12.932  1049.44    78.003  767.112    109.591 1339.32    111.048 292.707 21.595  389.412 16.332  -96.70496      27.07554 
1 1 1 1   9  37 o 216.384  11.483  412.412    43.232  407.994    58.787  417.615    63.798  214.373 15.817  216.623 17.004  -2.249741      23.22282 
1 1 1 1   9  38 o 245.598  11.651  530.143    49.962  499.561    69.707  562.450    71.647  236.947 16.961  251.637 16.396  -14.69080      23.59012 
1 1 1 1   9  39 o 379.221  13.311  1267.34    88.142  1120.83    124.241 1415.79    125.065 353.950 20.187  399.298 17.938  -45.34766      27.00506 
1 1 1 1   9  40 o 45.810   16.355  15.962     16.531  31.311     22.023  -3.8472    25.019  59.661  18.873  41.971  18.263  17.68954       26.26263 
1 1 1 1   9  41 o 125.938  11.401  140.697    24.799  125.245    34.119  158.003    36.108  117.548 17.127  132.587 15.915  -15.03864      23.37970 
1 1 1 1   9  42 o 179.767  11.000  285.490    34.360  282.368    48.533  288.627    48.652  177.673 15.810  179.685 15.664  -2.011444      22.25507 
1 1 1 1   9  43 f 229.990  13.052  469.133    52.199  506.825    90.210  450.160    64.003  235.713 22.179  224.243 16.461  11.47064       27.62037 
1 1 1 1   9  44 f 114.713  16.388  119.619    31.891  121.887    44.402  117.203    45.834  113.819 23.131  111.227 24.281  2.591507       33.53526 
1 1 1 1   9  45 o 77.684   19.346  56.553     26.141  18.978     37.536  91.943     36.427  59.845  23.865  98.744  21.718  -38.89922      32.26762 
1 1 1 1   9  46 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 1   9  47 o 114.575  23.631  125.499    45.706  125.499    45.706  0.0000     0.0000  114.575 23.631  ?       ?       0.000000       23.63131 
1 1 1 1   9  48 o 84.678   16.092  66.535     22.923  22.561     34.104  102.776    30.961  59.116  22.996  105.314 17.448  -46.19743      28.86588 
1 1 1 1   9  49 o 76.046   17.717  54.583     23.087  39.359     35.259  66.010     30.547  67.668  23.915  82.960  21.053  -15.29164      31.86150 
1 1 1 1   9  50 o 189.766  13.323  324.117    43.865  278.354    72.323  350.749    55.172  169.430 25.215  196.033 16.265  -26.60294      30.00616 
1 1 1 1   9  51 f 148.013  11.532  196.518    29.569  161.069    39.776  240.312    44.210  131.471 17.783  161.946 15.837  -30.47403      23.81316 
1 1 1 1   9  52 o 162.374  11.788  237.071    33.192  220.498    45.208  256.453    48.891  154.135 17.085  166.349 17.074  -12.21472      24.15444 
1 1 1 1   9  53 o 123.632  12.342  138.694    26.287  123.159    36.236  155.951    38.191  113.602 18.934  128.889 17.416  -15.28766      25.72602 
1 1 1 1   9  54 o 76.122   16.066  55.180     20.683  62.968     27.607  45.216     31.227  80.085  19.844  68.574  22.541  11.51122       30.03147 
1 1 1 1   9  55 o 49.483   16.941  21.594     17.619  25.305     23.840  17.127     26.154  54.415  19.618  50.869  20.035  3.545189       28.04060 
1 1 1 1   9  56 o 30.381   13.730  -6.9512    15.540  -25.1334   29.714  -0.1057    18.232  37.784  17.738  36.290  15.691  1.494263       23.68221 
1 1 1 1   9  57 o 155.568  13.616  223.848    36.614  271.876    65.083  201.609    44.287  163.190 23.520  144.702 17.911  18.48804       29.56334 
1 1 1 1   9  58 o 32.057   14.505  -7.3605    17.409  12.421     29.357  -18.0900   21.621  49.670  20.610  32.485  15.212  17.18549       25.61612 
1 1 1 1   9  59 o 110.772  12.791  114.231    24.286  118.029    33.748  110.152    34.976  109.258 18.340  104.417 19.910  4.841393       27.07002 
1 1 1 1   9  60 o 48.729   16.716  21.889     17.154  23.557     23.467  19.976     25.138  52.002  19.344  50.640  19.731  1.361885       27.63111 
1 1 1 1   9  61 o 45.681   17.437  16.522     19.345  25.675     24.501  1.3727     31.521  53.334  19.780  45.857  20.211  7.477402       28.27920 
1 1 1 1   9  62 o 49.305   17.283  22.705     18.386  11.855     22.084  47.218     33.194  44.295  18.073  66.415  23.225  -22.11976      29.42891 
1 1 1 1   9  63 o 44.585   16.899  16.419     18.092  30.765     21.749  -15.8031   32.595  55.374  18.823  40.863  18.983  14.51094       26.73351 
1 1 1 1   9  64 o 62.538   18.408  41.135     21.450  62.355     26.259  -1.4210    37.186  76.217  19.616  47.011  21.242  29.20645       28.91438 
1 1 1 1   9  65 o 64.797   19.266  45.450     23.400  28.629     39.666  54.429     28.981  57.044  23.837  69.341  21.608  -12.29733      32.17310 
1 1 1 1   10 0  o 30.634   10.696  7.2792     7.0383  -7.9359    10.918  18.100     9.2069  24.529  11.247  44.638  11.678  -20.10941      16.21360 
1 1 1 1   10 1  o 310.472  11.966  844.832    64.871  840.677    74.948  857.243    129.526 309.501 13.869  310.014 24.118  -0.5125427     27.82139 
1 1 1 1   10 2  o 201.838  10.180  357.569    35.760  377.524    41.365  298.542    71.144  207.262 11.475  182.262 22.858  25.00006       25.57662 
1 1 1 1   10 3  o 382.646  13.346  1284.52    89.166  1299.38    102.994 1240.04    178.156 384.553 15.339  372.052 27.621  12.50137       31.59448 
1 1 1 1   10 4  o 44.951   11.213  18.398     8.7716  16.310     10.393  23.571     16.355  42.924  12.857  52.001  16.237  -9.076809      20.71109 
1 1 1 1   10 5  o 390.726  13.468  1339.51    91.881  1336.34    106.124 1348.99    183.609 389.934 15.587  388.231 27.259  1.702850       31.40034 
1 1 1 1   10 6  o 73.218   10.120  47.819     12.592  54.750     14.797  29.624     23.974  78.280  11.140  59.491  19.760  18.78967       22.68369 
1 1 1 1   10 7  o 361.328  12.774  1145.01    80.594  1173.43    93.125  1060.22    160.861 365.532 14.591  344.007 26.997  21.52484       30.68805 
1 1 1 1   10 8  o 149.675  9.6678  196.909    25.131  211.664    29.205  154.803    49.334  155.074 10.854  130.465 22.467  24.60930       24.95190 
1 1 1 1   10 9  o 141.074  9.7508  175.044    23.871  184.478    27.732  148.056    46.904  144.695 11.060  127.648 21.829  17.04662       24.47080 
1 1 1 1   10 10 o 286.269  11.506  718.156    57.515  708.894    66.378  746.058    115.208 284.229 13.375  289.280 22.999  -5.050781      26.60505 
1 1 1 1   10 11 o 343.796  14.232  1037.92    85.432  920.234    104.518 1274.84    148.294 322.528 18.639  378.726 22.527  -56.19839      29.23800 
1 1 1 1   10 12 o 104.048  11.006  95.899     19.692  72.422     23.692  148.361    35.417  89.467  15.741  128.898 16.087  -39.43115      22.50680 
1 1 1 1   10 13 o 277.378  16.238  679.183    78.300  679.183    78.300  0.0000     0.0000  277.378 16.238  ?       ?       0.000000       16.23782 
1 1 1 1   10 14 o 107.174  14.098  102.582    25.742  88.574     35.465  118.179    37.422  98.214  21.294  114.159 19.472  -15.94561      28.85527 
1 1 1 1   10 15 o 559.863  19.476  2768.00    190.393 2683.11    233.142 2937.96    329.885 549.473 24.300  569.717 33.307  -20.24451      41.22937 
1 1 1 1   10 16 o 132.117  11.096  154.035    25.359  143.844    30.765  175.637    44.793  127.207 14.087  139.862 18.820  -12.65466      23.50812 
1 1 1 1   10 17 o 160.661  11.295  227.352    31.485  232.385    38.342  216.930    55.169  162.109 13.673  155.240 20.883  6.869354       24.96090 
1 1 1 1   10 18 o 525.863  15.467  2432.66    142.020 2120.38    200.599 2746.48    201.095 488.530 23.517  557.097 20.673  -68.56638      31.31158 
1 1 1 1   10 19 f 472.235  14.214  1959.73    117.204 1818.83    165.507 2101.47    165.997 453.221 20.914  487.612 19.497  -34.39151      28.59256 
1 1 1 1   10 20 o 166.970  9.7262  244.983    28.233  189.825    38.831  306.848    41.124  146.079 15.459  186.550 12.701  -40.47174      20.00703 
1 1 1 1   10 21 o 193.688  10.015  329.510    33.755  277.317    46.903  385.588    48.617  176.870 15.339  209.100 13.386  -32.23030      20.35875 
1 1 1 1   10 22 o 206.827  10.714  375.953    38.558  375.231    54.279  376.688    54.784  205.939 15.202  206.320 15.317  -0.3815765     21.58025 
1 1 1 1   10 23 o 184.509  10.683  299.417    34.269  294.309    48.652  304.447    48.278  182.191 15.439  185.393 15.044  -3.201996      21.55629 
1 1 1 1   10 24 o 162.660  12.286  233.581    34.637  254.042    59.392  223.036    42.638  168.056 20.676  158.373 15.622  9.683151       25.91448 
1 1 1 1   10 25 f 237.025  12.851  494.998    52.988  415.393    90.975  535.868    65.186  214.308 24.768  246.200 15.239  -31.89127      29.08048 
1 1 1 1   10 26 o 303.163  12.127  807.058    64.194  774.574    90.602  839.805    90.968  295.540 17.638  307.945 16.984  -12.40436      24.48547 
1 1 1 1   10 27 o 548.649  16.983  2659.12    162.696 2517.81    230.040 2800.56    230.135 530.343 24.842  560.040 23.534  -29.69727      34.21952 
1 1 1 1   10 28 o 132.656  13.513  156.397    30.863  147.907    53.867  160.546    37.657  126.341 25.301  133.864 16.458  -7.523293      30.18254 
1 1 1 1   10 29 o 235.201  13.578  488.514    55.524  279.349    97.578  588.671    67.522  171.961 33.703  257.940 15.058  -85.97838      36.91371 
1 1 1 1   10 30 o 309.442  14.671  844.383    79.267  846.958    141.648 843.209    95.645  305.312 26.843  307.996 17.862  -2.683289      32.24302 
1 1 1 1   10 31 o 175.411  16.075  274.220    48.686  0.0000     0.0000  274.220    48.686  ?       ?       175.411 16.075  0.000000       16.07461 
1 1 1 1   10 32 f 233.298  11.753  479.772    47.723  413.496    68.024  544.009    66.970  215.033 18.291  247.599 15.570  -32.56598      24.02058 
1 1 1 1   10 33 o 62.878   16.694  36.282     18.635  31.458     26.146  41.262     26.567  61.217  20.639  67.738  20.617  -6.520741      29.17207 
1 1 1 1   10 34 o 43.085   16.110  12.464     16.319  10.968     22.516  14.118     23.684  46.866  18.548  49.453  19.184  -2.587002      26.68439 
1 1 1 1   10 35 o 147.414  11.341  192.351    28.968  163.045    40.768  222.237    41.169  134.222 17.837  157.726 15.134  -23.50363      23.39252 
1 1 1 1   10 36 f 391.090  13.615  1352.03    92.975  1239.46    131.296 1465.25    131.677 371.135 20.338  404.964 18.622  -33.82846      27.57589 
1 1 1 1   10 37 o 285.238  11.738  717.465    58.462  695.192    82.245  740.214    83.118  278.780 16.977  287.841 16.608  -9.061432      23.74983 
1 1 1 1   10 38 o 74.592   14.880  51.107     18.701  45.170     26.090  57.380     26.820  69.977  20.217  78.376  19.638  -8.399017      28.18498 
1 1 1 1   10 39 o 144.592  11.192  185.573    28.036  199.001    39.478  171.909    39.823  148.701 15.429  137.671 16.923  11.03053       22.90077 
1 1 1 1   10 40 o 133.577  13.086  159.735    30.129  156.651    36.957  165.845    52.026  131.327 16.480  132.795 23.287  -1.467758      28.52820 
1 1 1 1   10 41 f 229.321  23.469  489.347    92.647  489.347    92.647  0.0000     0.0000  229.321 23.469  ?       ?       0.000000       23.46858 
1 1 1 1   10 42 o 181.106  22.935  307.236    70.900  307.236    70.900  0.0000     0.0000  181.106 22.935  ?       ?       0.000000       22.93471 
1 1 1 1   10 43 f 192.475  15.307  334.715    51.018  252.249    69.718  429.786    74.857  162.109 25.471  215.748 20.103  -53.63931      32.44799 
1 1 1 1   10 44 o 137.191  13.504  169.860    31.929  123.756    52.921  196.249    40.037  111.510 27.381  146.677 15.887  -35.16690      31.65598 
1 1 1 1   10 45 o 63.611   18.431  37.994     21.656  10.140     34.509  56.091     27.815  53.657  22.311  76.475  20.439  -22.81781      30.25783 
1 1 1 1   10 46 o 312.016  14.081  877.133    76.713  677.848    131.357 980.282    94.503  260.075 29.445  327.537 16.578  -67.46234      33.79134 
1 1 1 1   10 47 o 102.284  14.783  96.557     25.636  79.830     41.090  107.218    32.805  89.245  25.240  106.468 18.306  -17.22289      31.18005 
1 1 1 1   10 48 o 84.197   13.665  65.563     19.401  63.346     26.619  68.075     28.334  80.890  19.144  83.705  19.712  -2.815193      27.47859 
1 1 1 1   10 49 o 86.621   13.443  69.393     19.673  70.869     27.238  67.784     28.444  85.543  18.753  83.220  19.853  2.322784       27.30944 
1 1 1 1   10 50 o 89.790   13.098  74.485     19.930  65.020     27.702  84.642     28.695  81.263  19.723  93.659  18.203  -12.39625      26.83880 
1 1 1 1   10 51 o 103.168  12.359  97.671     21.821  90.955     30.311  104.895    31.438  96.671  18.633  104.376 17.894  -7.705429      25.83379 
1 1 1 1   10 52 o 82.947   16.620  66.434     23.232  67.096     39.268  66.077     28.816  80.019  25.188  81.051  20.382  -1.031746      32.40159 
1 1 1 1   10 53 o 53.422   19.284  25.080     23.046  37.197     32.335  12.571     32.855  62.997  22.827  51.773  21.669  11.22448       31.47388 
1 1 1 1   10 54 o 44.999   16.698  16.272     17.467  14.551     28.105  17.356     22.295  49.830  20.367  48.206  18.637  1.624706       27.60722 
1 1 1 1   10 55 o 56.662   18.595  31.239     21.255  7.8445     33.422  47.126     27.542  49.678  21.361  67.657  21.062  -17.97913      29.99825 
1 1 1 1   10 56 o 54.980   16.927  29.703     17.845  32.378     22.948  25.612     28.382  57.418  19.336  54.763  21.069  2.655254       28.59657 
1 1 1 1   10 57 o 116.673  12.402  127.270    24.879  118.732    32.980  138.542    37.898  108.902 17.971  116.727 19.267  -7.824486      26.34716 
1 1 1 1   10 58 o 62.945   17.762  40.576     20.371  19.176     27.107  68.344     30.878  50.424  20.221  79.309  21.678  -28.88508      29.64496 
1 1 1 1   10 59 o 43.138   16.511  14.833     17.375  9.4818     21.002  26.436     30.927  42.142  17.455  54.896  21.734  -12.75378      27.87550 
1 1 1 1   10 60 o 72.133   17.259  53.788     21.447  64.465     26.192  32.063     37.362  77.658  19.379  58.477  23.637  19.18048       30.56549 
1 1 1 1   10 61 o 56.805   17.977  33.769     19.981  24.295     24.427  52.930     34.737  51.091  19.572  67.372  23.745  -16.28057      30.77153 
1 1 1 1   10 62 o 35.722   14.824  6.2773     15.190  15.764     17.625  -21.1074   29.945  43.188  16.606  36.959  17.491  6.228863       24.11809 
1 1 1 1   11 0  o 606.039  21.012  3257.20    222.346 3424.60    272.361 2922.71    384.992 619.317 25.187  561.973 39.486  57.34406       46.83458 
1 1 1 1   11 1  o 408.155  15.897  1467.58    113.295 1525.15    138.839 1352.85    196.000 415.243 19.149  386.762 29.239  28.48129       34.95185 
1 1 1 1   11 2  o 289.033  13.481  734.103    68.033  732.603    83.422  737.081    117.556 287.776 16.674  286.764 23.690  1.011261       28.96932 
1 1 1 1   11 3  o 263.047  13.044  607.800    59.912  618.694    73.327  585.922    103.914 264.527 15.950  255.494 23.559  9.033035       28.45022 
1 1 1 1   11 4  o 318.565  12.164  890.753    67.659  855.050    78.077  998.407    135.577 311.791 14.342  334.100 23.388  -22.30927      27.43500 
1 1 1 1   11 5  o 346.309  12.497  1053.01    75.566  1074.70    87.247  987.876    151.175 349.552 14.295  331.237 26.356  18.31531       29.98333 
1 1 1 1   11 6  o 188.693  12.452  313.959    40.795  313.959    40.795  0.0000     0.0000  188.693 12.452  ?       ?       0.000000       12.45183 
1 1 1 1   11 7  o 163.575  11.895  236.047    33.741  236.047    33.741  0.0000     0.0000  163.575 11.895  ?       ?       0.000000       11.89482 
1 1 1 1   11 8  o 431.447  16.782  1642.31    126.425 1642.31    126.425 0.0000     0.0000  431.447 16.782  ?       ?       0.000000       16.78202 
1 1 1 1   11 9  o 326.271  14.278  936.563    81.340  936.563    81.340  0.0000     0.0000  326.271 14.278  ?       ?       0.000000       14.27782 
1 1 1 1   11 10 o 377.512  15.417  1255.59    101.626 1255.59    101.626 0.0000     0.0000  377.512 15.417  ?       ?       0.000000       15.41738 
1 1 1 1   11 11 o 468.929  17.356  1942.33    142.109 1942.33    142.109 0.0000     0.0000  468.929 17.356  ?       ?       0.000000       17.35608 
1 1 1 1   11 12 o 128.602  9.9396  145.807    22.146  118.948    25.146  238.636    46.749  115.681 12.656  163.628 16.592  -47.94624      20.86776 
1 1 1 1   11 13 o 339.186  12.499  1010.73    74.022  990.784    85.389  1071.05    148.488 335.444 14.579  345.180 24.802  -9.735413      28.76941 
1 1 1 1   11 14 o 109.815  10.939  106.833    20.695  111.755    23.596  90.423     43.085  112.141 12.250  98.637  24.988  13.50381       27.82888 
1 1 1 1   11 15 o 263.741  10.771  610.234    49.601  538.261    57.126  830.701    99.983  247.038 13.293  305.648 18.826  -58.60971      23.04588 
1 1 1 1   11 16 o 501.136  18.586  2225.01    162.633 2154.24    199.190 2366.52    281.672 491.091 23.230  508.812 31.865  -17.72073      39.43376 
1 1 1 1   11 17 o 127.258  12.972  143.873    28.422  190.492    52.903  124.959    33.698  144.754 21.591  117.754 16.872  26.99993       27.40146 
1 1 1 1   11 18 o 332.116  14.599  972.224    84.660  948.984    147.650 983.607    103.333 323.694 26.352  332.816 17.847  -9.121735      31.82699 
1 1 1 1   11 19 o 98.389   15.185  87.347     25.248  45.833     46.910  104.277    29.957  76.670  27.532  107.418 16.499  -30.74767      32.09755 
1 1 1 1   11 20 o 43.603   17.212  9.4799     19.343  -25.5009   25.009  61.556     30.515  34.763  16.305  81.593  21.219  -46.82988      26.76038 
1 1 1 1   11 21 o 171.059  15.875  260.766    46.875  351.079    56.115  52.241     85.267  198.587 16.328  92.235  36.224  106.3512       39.73383 
1 1 1 1   11 22 o 480.337  22.779  2067.72    191.044 2368.63    269.693 1764.64    270.665 508.117 30.540  434.216 36.025  73.90030       47.22783 
1 1 1 1   11 23 o 38.676   18.058  -28.2142   30.095  -65.0929   39.288  24.153     46.817  38.561  18.706  67.497  26.735  -28.93549      32.62929 
1 1 1 1   11 24 o ?        ?       -179.8179  6.8487  -220.7575  10.749  -151.8373  8.8861  ?       ?       ?       ?       0.000000       ?        
1 1 1 1   11 25 o 133.791  13.949  159.683    32.106  158.186    55.749  160.426    39.273  130.153 25.443  133.359 17.271  -3.205750      30.75141 
1 1 1 1   11 26 o 117.358  13.898  123.289    27.926  154.629    49.820  108.931    33.721  129.288 22.908  109.197 18.336  20.09196       29.34207 
1 1 1 1   11 27 o 357.098  13.087  1125.47    81.598  1085.64    115.094 1165.72    115.704 348.159 19.005  361.081 18.413  -12.92227      26.46153 
1 1 1 1   11 28 o 175.925  10.790  273.322    32.984  289.996    46.556  256.518    46.738  180.317 14.921  169.242 16.006  11.07552       21.88220 
1 1 1 1   11 29 f 93.341   12.599  78.268     20.009  83.834     28.352  72.745     28.242  95.509  17.651  88.570  18.841  6.938721       25.81766 
1 1 1 1   11 30 o 306.670  12.206  830.395    65.360  812.577    92.515  848.150    92.350  301.031 17.679  307.761 17.255  -6.729980      24.70374 
1 1 1 1   11 31 o 250.385  11.329  553.078    49.531  528.643    69.843  577.803    70.255  242.833 16.571  254.175 15.910  -11.34119      22.97252 
1 1 1 1   11 32 f 209.831  10.786  389.303    39.382  325.576    55.187  455.431    56.217  190.087 16.800  225.945 14.324  -35.85873      22.07768 
1 1 1 1   11 33 o 113.856  10.909  115.457    21.421  89.457     29.389  144.926    31.288  98.383  17.761  126.843 14.381  -28.45991      22.85343 
1 1 1 1   11 34 o 130.619  12.765  152.786    28.741  103.031    48.464  179.777    35.695  103.052 26.713  141.246 14.688  -38.19363      30.48476 
1 1 1 1   11 35 o 178.545  15.388  287.463    47.505  254.054    66.576  322.118    67.806  164.126 23.936  186.529 21.195  -22.40216      31.97148 
1 1 1 1   11 36 o 203.956  22.788  389.287    79.765  389.287    79.765  0.0000     0.0000  203.956 22.788  ?       ?       0.000000       22.78769 
1 1 1 1   11 37 o 130.304  15.927  155.075    35.483  114.682    48.811  200.341    51.672  107.999 26.161  146.264 20.821  -38.26433      33.43490 
1 1 1 1   11 38 o 90.515   18.070  77.095     27.559  42.665     37.361  118.185    40.815  69.907  24.627  111.123 21.814  -41.21525      32.89922 
1 1 1 1   11 39 o 236.495  15.907  508.756    65.302  390.827    91.515  631.096    93.211  199.841 26.911  259.995 20.704  -60.15401      33.95362 
1 1 1 1   11 40 f 115.069  13.737  120.631    27.055  84.335     44.126  142.495    34.247  91.829  26.221  124.256 16.168  -32.42747      30.80508 
1 1 1 1   11 41 o 89.863   15.497  75.276     23.437  59.314     37.800  85.245     29.872  78.037  24.730  94.524  18.761  -16.48710      31.04090 
1 1 1 1   11 42 o 93.232   14.845  80.738     23.356  58.485     36.297  96.462     30.512  77.179  24.204  100.808 17.995  -23.62816      30.16036 
1 1 1 1   11 43 o 148.291  11.256  198.003    28.926  179.088    40.623  217.458    41.199  138.229 17.203  153.372 15.601  -15.14262      23.22409 
1 1 1 1   11 44 o 31.081   13.574  -1.9311    13.932  -14.7939   18.063  16.959     21.890  30.267  14.084  48.562  18.545  -18.29540      23.28717 
1 1 1 1   11 45 o 203.128  10.971  371.618    38.767  315.784    53.875  431.571    55.827  183.283 17.029  216.228 14.877  -32.94513      22.61236 
1 1 1 1   11 46 o 190.281  10.973  326.971    36.303  279.840    50.499  377.378    52.225  172.009 17.038  201.681 14.936  -29.67233      22.65810 
1 1 1 1   11 47 o 26.797   12.371  -9.6667    13.526  -10.3758   16.833  -8.3740    22.726  30.350  13.934  36.840  16.630  -6.489927      21.69623 
1 1 1 1   11 48 o 93.108   16.132  83.422     25.277  70.127     39.053  93.007     33.159  80.955  25.060  95.949  20.420  -14.99365      32.32577 
1 1 1 1   11 49 o 105.715  15.596  106.973    27.924  132.114    44.282  90.377     35.978  112.063 23.387  92.828  22.444  19.23479       32.41447 
1 1 1 1   11 50 o 127.133  14.208  152.547    31.000  136.110    50.008  162.805    39.506  110.509 26.298  128.537 18.104  -18.02739      31.92671 
1 1 1 1   11 51 o 126.536  14.270  151.930    30.977  143.136    49.850  157.462    39.537  113.165 25.801  125.535 18.601  -12.36926      31.80702 
1 1 1 1   11 52 o 98.956   15.245  95.004     25.495  94.898     29.418  95.323     51.096  97.060  18.022  88.235  28.826  8.824722       33.99572 
1 1 1 1   11 53 o 41.105   16.478  10.775     17.993  14.891     20.097  -5.8539    40.397  44.791  17.588  48.136  21.905  -3.344479      28.09151 
1 1 1 1   11 54 o 123.820  12.095  143.897    25.816  123.750    34.908  168.217    38.354  109.512 18.941  129.416 17.415  -19.90399      25.73029 
1 1 1 1   11 55 o 104.521  12.191  103.381    21.832  89.676     28.886  121.638    33.340  92.849  18.467  108.718 18.207  -15.86856      25.93329 
1 1 1 1   11 56 o 55.446   16.966  31.697     17.958  22.312     20.586  61.570     36.730  48.881  18.130  71.789  24.461  -22.90751      30.44741 
1 1 1 1   11 57 o 48.050   16.471  22.820     16.654  26.435     18.915  10.355     35.122  51.081  17.551  48.812  21.429  2.269360       27.69887 
1 1 1 1   11 58 o 56.658   17.277  34.118     18.644  20.670     21.786  70.909     36.036  47.597  18.417  75.404  24.172  -27.80704      30.38924 
1 1 1 1   12 0  o 276.192  16.371  677.873    78.596  677.873    78.596  0.0000     0.0000  276.192 16.371  ?       ?       0.000000       16.37077 
1 1 1 1   12 1  o 424.280  15.338  1591.61    113.631 1591.61    113.631 0.0000     0.0000  424.280 15.338  ?       ?       0.000000       15.33845 
1 1 1 1   12 2  o 468.442  16.841  1945.33    137.747 1945.33    137.747 0.0000     0.0000  468.442 16.841  ?       ?       0.000000       16.84085 
1 1 1 1   12 3  o 275.313  16.725  674.213    80.018  674.213    80.018  0.0000     0.0000  275.313 16.725  ?       ?       0.000000       16.72479 
1 1 1 1   12 4  o 405.896  13.659  1453.13    96.805  1382.14    111.775 1666.17    193.643 395.040 16.205  428.245 26.020  -33.20538      30.65356 
1 1 1 1   12 5  f 166.928  12.433  246.682    35.979  217.957    43.609  307.913    63.670  156.059 16.242  184.735 20.061  -28.67569      25.81172 
1 1 1 1   12 6  o 81.378   13.500  59.916     18.511  63.266     21.229  49.291     37.809  83.345  15.145  75.242  24.807  8.103378       29.06459 
1 1 1 1   12 7  o 52.025   17.143  23.009     18.058  46.807     20.785  -50.2512   36.467  71.242  16.954  39.023  18.698  32.21902       25.23998 
1 1 1 1   12 8  o ?        ?       -113.5493  5.2127  -113.5493  5.2127  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 1   12 9  o ?        ?       -54.9295   5.5747  -54.9295   5.5747  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 1   12 10 o 218.386  12.673  421.734    48.116  394.255    58.471  479.375    84.685  210.313 16.044  230.328 21.298  -20.01505      26.66481 
1 1 1 1   12 11 o 408.870  15.889  1481.92    113.433 1411.19    138.794 1624.20    196.844 396.724 20.102  421.403 26.893  -24.67957      33.57544 
1 1 1 1   12 12 o 292.768  13.662  756.994    69.839  722.822    85.311  826.429    121.607 284.624 17.247  301.831 23.254  -17.20700      28.95174 
1 1 1 1   12 13 o 198.806  12.283  349.668    42.430  328.806    51.670  392.862    74.349  191.992 15.547  208.356 20.711  -16.36368      25.89682 
1 1 1 1   12 14 o 327.508  14.283  948.956    81.679  882.617    99.928  1082.50    141.779 314.030 18.304  345.122 23.671  -31.09271      29.92200 
1 1 1 1   12 15 o 30.857   13.221  -0.5640    12.720  -6.7284    14.394  21.408     27.174  29.687  13.333  55.584  20.788  -25.89731      24.69631 
1 1 1 1   12 16 o 280.145  13.360  693.668    65.351  656.890    79.912  767.927    113.552 271.105 16.967  290.709 22.547  -19.60434      28.21755 
1 1 1 1   12 17 o 274.390  16.569  672.547    79.011  657.213    111.150 688.211    112.337 267.941 24.013  274.403 23.678  -6.461761      33.72317 
1 1 1 1   12 18 o 171.982  15.216  264.607    45.222  279.232    63.044  249.107    64.904  174.844 21.075  164.215 23.288  10.62894       31.40865 
1 1 1 1   12 19 o 233.656  23.334  500.970    93.926  0.0000     0.0000  500.970    93.926  ?       ?       233.656 23.334  0.000000       23.33408 
1 1 1 1   12 20 o 283.691  16.922  721.255    83.442  0.0000     0.0000  721.255    83.442  ?       ?       283.691 16.922  0.000000       16.92234 
1 1 1 1   12 21 o 241.141  13.016  516.378    54.599  502.022    94.028  523.680    67.063  233.451 23.382  241.823 15.973  -8.372101      28.31673 
1 1 1 1   12 22 o 210.877  12.554  395.016    46.017  340.000    79.060  423.205    56.592  191.131 24.234  217.517 14.992  -26.38638      28.49664 
1 1 1 1   12 23 o 43.535   17.056  10.485     18.865  0.0000     0.0000  10.485     18.865  ?       ?       43.535  17.056  0.000000       17.05642 
1 1 1 1   12 24 o 273.987  17.446  677.545    83.028  0.0000     0.0000  677.545    83.028  ?       ?       273.987 17.446  0.000000       17.44608 
1 1 1 1   12 25 o 55.926   19.944  24.985     24.576  0.0000     0.0000  24.985     24.576  ?       ?       55.926  19.944  0.000000       19.94434 
1 1 1 1   12 26 o 186.615  15.542  314.129    50.182  281.338    67.920  353.546    74.468  173.265 23.020  194.899 22.283  -21.63463      32.03866 
1 1 1 1   12 27 o 121.862  16.648  136.053    34.497  107.295    43.719  183.501    56.157  105.395 24.259  138.748 24.052  -33.35255      34.16145 
1 1 1 1   12 28 o 145.352  15.646  192.032    39.082  155.572    51.747  240.444    59.629  127.224 24.179  160.035 21.915  -32.81136      32.63231 
1 1 1 1   12 29 o 184.774  15.184  309.026    48.554  249.385    66.496  377.139    71.062  161.425 24.349  201.455 20.487  -40.02975      31.82120 
1 1 1 1   12 30 o 182.181  12.514  297.459    39.567  200.104    67.393  348.669    48.878  141.785 28.215  196.533 14.342  -54.74809      31.65071 
1 1 1 1   12 31 o 84.869   18.315  68.310     26.345  45.962     34.520  99.481     40.769  70.741  23.716  100.820 23.580  -30.07959      33.44292 
1 1 1 1   12 32 o 189.739  15.445  328.175    50.725  284.872    70.688  374.146    72.834  171.528 24.280  199.046 21.286  -27.51793      32.28983 
1 1 1 1   12 33 o 57.027   18.995  29.121     22.149  19.334     30.145  40.603     32.651  54.872  21.542  66.981  23.057  -12.10818      31.55427 
1 1 1 1   12 34 o 150.827  15.274  208.854    39.671  136.264    54.112  293.211    58.333  115.410 27.283  176.585 19.230  -61.17408      33.37862 
1 1 1 1   12 35 o 257.356  11.359  592.774    51.043  499.187    71.680  689.050    72.702  231.459 17.875  274.434 15.232  -42.97496      23.48444 
1 1 1 1   12 36 o 57.125   15.244  30.910     15.487  31.482     20.141  30.082     24.223  57.930  18.007  57.896  19.863  0.3411102E-01  26.81071 
1 1 1 1   12 37 o 67.865   16.877  44.335     19.914  37.454     31.949  48.707     25.467  64.202  22.757  70.519  19.845  -6.316971      30.19439 
1 1 1 1   12 38 f 50.251   16.015  23.258     15.835  21.892     21.854  24.768     22.976  51.450  18.747  53.745  19.272  -2.295067      26.88584 
1 1 1 1   12 39 o 36.791   14.740  6.9901     14.390  3.8752     19.703  10.550     21.065  39.577  16.684  44.123  17.779  -4.546040      24.38145 
1 1 1 1   12 40 o 147.215  11.169  196.673    28.496  191.492    39.940  202.045    40.670  142.235 16.381  146.262 16.197  -4.026245      23.03660 
1 1 1 1   12 41 o 116.462  11.525  124.075    23.128  89.873     31.816  162.400    33.679  94.760  19.864  131.474 14.936  -36.71371      24.85284 
1 1 1 1   12 42 o 75.910   15.478  55.690     19.820  63.594     27.598  47.271     28.482  79.087  19.979  68.164  21.451  10.92287       29.31397 
1 1 1 1   12 43 o 139.045  11.686  177.594    28.109  161.601    39.850  193.432    39.657  128.156 18.331  141.972 16.293  -13.81587      24.52457 
1 1 1 1   12 44 o 152.650  13.672  218.443    36.056  295.118    66.672  186.750    42.865  167.382 23.457  137.443 18.318  29.93918       29.76167 
1 1 1 1   12 45 f 90.304   16.456  80.289     24.992  151.320    46.722  51.820     29.579  118.710 23.373  69.909  21.837  48.80109       31.98667 
1 1 1 1   12 46 f 66.076   18.763  45.056     22.659  59.451     42.200  39.226     26.858  72.730  26.114  61.785  20.918  10.94542       33.45900 
1 1 1 1   12 47 o 39.595   16.495  7.0112     18.910  20.863     30.106  -2.0147    24.302  52.366  21.200  39.559  17.575  12.80659       27.53743 
1 1 1 1   12 48 o 45.890   17.677  17.135     20.001  20.511     31.766  14.918     25.745  52.527  21.582  47.448  19.454  5.078148       29.05600 
1 1 1 1   12 49 o 108.008  12.588  110.822    23.294  123.896    31.582  95.226     34.495  110.964 16.828  93.011  21.646  17.95243       27.41827 
1 1 1 1   12 50 o 22.963   11.020  -16.3547   12.777  -28.5088   15.582  8.5894     22.323  22.954  11.272  42.133  17.760  -19.17869      21.03529 
1 1 1 1   12 51 o 47.157   15.933  21.823     15.583  4.7453     19.890  48.966     25.076  38.517  16.518  66.584  19.977  -28.06645      25.92167 
1 1 1 1   12 52 o 40.996   15.515  14.273     15.233  15.637     19.378  12.066     24.646  43.829  17.251  44.498  18.704  -0.6694145     25.44484 
1 1 1 1   12 53 o 63.298   17.328  43.087     19.712  40.630     22.743  50.502     39.515  60.477  19.184  64.028  24.796  -3.550381      31.35058 
1 1 1 1   12 54 o 37.735   15.352  9.4611     15.877  5.4846     17.924  23.947     34.210  36.889  15.746  51.977  21.952  -15.08775      27.01568 
1 1 1 1   13 0  o 109.697  10.613  107.188    20.075  120.720    23.272  67.842     39.683  116.258 11.620  84.650  25.071  31.60789       27.63286 
1 1 1 1   13 1  o 70.901   12.055  45.707     14.390  41.609     16.744  57.285     28.143  67.063  14.705  77.978  20.426  -10.91485      25.16854 
1 1 1 1   13 2  o 143.670  10.506  183.134    26.173  158.001    30.168  259.635    52.633  132.758 13.189  168.820 18.140  -36.06177      22.42789 
1 1 1 1   13 3  o 161.063  10.616  230.010    29.687  209.004    34.230  293.771    59.637  152.920 12.941  179.154 19.373  -26.23434      23.29790 
1 1 1 1   13 4  o 40.815   13.777  13.881     11.651  10.685     13.307  24.375     24.113  39.201  14.569  55.359  19.754  -16.15871      24.54584 
1 1 1 1   13 5  o 244.080  11.309  526.966    48.195  500.544    55.709  605.579    96.091  236.858 13.526  256.465 21.661  -19.60735      25.53719 
1 1 1 1   13 6  o 151.568  11.013  204.126    28.945  179.851    33.206  280.928    59.065  141.555 13.602  174.917 19.681  -33.36151      23.92412 
1 1 1 1   13 7  o 303.690  11.891  817.258    63.055  751.747    72.688  1016.43    126.743 290.291 14.341  332.191 21.975  -41.90045      26.24056 
1 1 1 1   13 8  o 167.745  10.783  249.730    31.414  233.987    36.160  298.178    63.433  161.774 12.909  179.732 20.584  -17.95828      24.29699 
1 1 1 1   13 9  o 181.411  10.734  291.948    33.848  270.052    39.023  358.471    68.019  173.819 12.951  197.440 20.007  -23.62137      23.83230 
1 1 1 1   13 10 o 196.922  12.410  345.718    42.453  347.891    51.967  341.359    73.609  196.508 15.265  191.286 22.466  5.221603       27.16182 
1 1 1 1   13 11 o 131.320  12.124  154.341    27.486  164.962    33.808  133.632    47.207  135.089 14.563  118.149 23.708  16.94035       27.82335 
1 1 1 1   13 12 o 125.690  12.268  141.643    26.581  144.104    32.655  136.808    45.763  125.941 15.154  119.902 22.690  6.038925       27.28498 
1 1 1 1   13 13 o 360.416  15.378  1166.85    96.776  1094.65    118.551 1311.08    167.549 345.484 19.734  371.813 25.971  -26.32889      32.61810 
1 1 1 1   13 14 o 131.879  12.739  156.279    28.969  151.394    35.358  166.255    50.527  128.711 16.084  132.263 22.696  -3.551849      27.81707 
1 1 1 1   13 15 o 217.181  10.830  418.065    41.070  434.730    47.549  369.110    81.496  220.630 12.393  197.138 24.183  23.49184       27.17337 
1 1 1 1   13 16 o 73.307   13.408  49.450     16.530  55.157     18.779  29.811     34.836  77.248  14.454  62.699  23.519  14.54887       27.60562 
1 1 1 1   13 17 o 119.386  10.760  127.414    22.188  120.917    25.589  147.096    44.541  115.690 12.887  124.515 21.249  -8.825401      24.85146 
1 1 1 1   13 18 o 128.495  10.720  147.511    23.831  154.190    27.435  126.980    48.101  130.980 12.134  113.731 24.911  17.24904       27.70933 
1 1 1 1   13 19 o 169.274  10.706  255.447    31.480  215.217    36.092  383.373    64.360  154.346 13.529  203.776 18.283  -49.42989      22.74400 
1 1 1 1   13 20 f 138.993  10.453  172.475    25.182  173.223    28.947  170.148    51.061  138.791 12.065  132.818 22.841  5.972824       25.83153 
1 1 1 1   13 21 o 166.967  10.569  248.778    30.653  231.519    35.282  301.918    61.910  160.271 12.712  179.201 20.134  -18.92938      23.81156 
1 1 1 1   13 22 o 114.527  11.405  118.135    22.503  98.433     31.826  137.832    31.822  101.878 18.576  122.420 15.215  -20.54196      24.01178 
1 1 1 1   13 23 o 180.006  10.851  289.822    33.945  270.205    48.379  308.843    47.640  171.190 16.385  183.897 14.966  -12.70667      22.19176 
1 1 1 1   13 24 o 130.857  11.102  153.964    25.127  136.306    35.610  171.475    35.461  120.542 17.424  136.521 15.131  -15.97871      23.07686 
1 1 1 1   13 25 o 91.009   14.843  77.121     22.774  71.612     27.951  88.002     39.281  86.046  19.102  93.529  23.949  -7.482651      30.63453 
1 1 1 1   13 26 o 192.928  12.875  337.452    43.123  351.046    52.907  310.546    74.431  195.088 15.664  176.599 24.823  18.48912       29.35226 
1 1 1 1   13 27 o 86.096   16.281  70.337     23.578  73.604     28.789  63.683     41.091  86.815  19.472  79.500  25.844  7.314285       32.35825 
1 1 1 1   13 28 o 163.046  17.536  250.670    49.139  301.719    67.918  194.593    71.184  174.825 22.791  133.233 31.156  41.59184       38.60211 
1 1 1 1   13 29 o 66.097   22.073  42.021     29.902  51.426     39.738  29.745     45.401  72.578  25.410  64.662  26.085  7.915642       36.41534 
1 1 1 1   13 30 f 50.520   18.331  21.353     20.864  6.5475     39.098  27.248     24.671  53.435  23.040  55.734  19.971  -2.299000      30.49125 
1 1 1 1   13 31 o 30.318   13.905  -10.1776   16.703  -39.1736   29.700  3.2356     20.200  34.519  16.626  39.586  16.802  -5.066612      23.63739 
1 1 1 1   13 32 o 67.338   17.545  44.610     20.836  24.307     22.965  139.118    49.548  53.001  19.232  114.502 25.443  -61.50066      31.89390 
1 1 1 1   13 33 o 53.745   17.681  27.224     19.212  38.870     22.414  -5.0334    37.303  62.687  18.905  48.196  21.568  14.49022       28.68030 
1 1 1 1   13 34 o 45.771   17.633  15.429     19.900  -6.6631    25.042  53.288     32.782  39.152  17.585  71.618  23.065  -32.46544      29.00429 
1 1 1 1   13 35 o 175.353  11.155  280.750    33.977  259.117    47.381  303.649    48.748  164.012 16.781  178.567 15.798  -14.55533      23.04749 
1 1 1 1   13 36 o 116.654  11.349  125.285    22.824  88.846     30.585  171.079    34.287  93.537  19.365  134.125 14.892  -40.58784      24.42860 
1 1 1 1   13 37 o 134.190  11.170  165.613    25.934  132.062    35.121  205.844    38.458  115.190 18.055  146.637 15.243  -31.44650      23.62920 
1 1 1 1   13 38 o 77.071   13.697  57.047     17.757  39.305     23.606  80.166     26.947  61.896  19.535  89.099  17.942  -27.20287      26.52408 
1 1 1 1   13 39 o 134.847  13.384  172.072    31.096  177.593    51.449  168.894    39.032  126.959 24.090  130.051 17.644  -3.092117      29.86060 
1 1 1 1   13 40 o 211.650  13.554  424.546    49.827  411.324    87.000  431.000    60.783  187.739 27.343  208.937 16.803  -21.19774      32.09336 
1 1 1 1   13 41 o 67.823   18.077  47.987     21.796  71.643     39.807  37.859     26.048  77.586  25.448  60.097  20.599  17.48928       32.73949 
1 1 1 1   13 42 o 56.919   18.540  33.558     21.142  27.255     37.762  36.435     25.516  56.637  23.427  58.895  20.376  -2.257862      31.04892 
1 1 1 1   13 43 o 38.420   15.353  9.8005     15.567  31.988     20.579  -19.8844   23.803  55.550  18.300  33.003  15.611  22.54696       24.05442 
1 1 1 1   13 44 o 92.476   13.542  83.378     21.219  99.945     29.162  64.738     30.933  98.024  17.689  74.860  22.125  23.16392       28.32726 
1 1 1 1   13 45 o 61.206   16.526  39.261     18.075  46.022     25.213  32.112     25.925  64.139  20.182  55.320  20.379  8.819252       28.68130 
1 1 1 1   13 46 o 45.729   16.472  20.161     16.802  20.529     23.358  19.766     24.188  47.936  18.917  47.804  19.125  0.1321106      26.90015 
1 1 1 1   13 47 o 73.513   17.813  58.694     22.625  56.215     28.277  63.103     37.718  68.896  21.324  69.692  24.724  -0.7960892     32.64901 
1 1 1 1   13 48 o 33.560   14.735  0.9390     16.614  -0.8103    20.485  4.3012     28.400  35.798  16.004  42.468  18.925  -6.669918      24.78435 
1 1 1 1   13 49 o 61.067   17.904  41.853     20.327  46.487     24.982  32.774     34.969  62.614  20.132  54.653  22.570  7.960430       30.24427 
1 1 1 1   14 0  o 158.037  10.873  224.157    29.821  210.196    34.310  267.289    60.305  152.106 13.045  166.701 21.198  -14.59526      24.88970 
1 1 1 1   14 1  o 246.151  13.269  548.993    56.819  509.548    70.030  624.978    97.199  234.205 17.246  254.765 22.068  -20.56035      28.00789 
1 1 1 1   14 2  o 310.704  18.037  900.228    97.430  930.718    140.200 871.751    135.494 304.881 26.603  295.048 26.586  9.832886       37.61015 
1 1 1 1   14 3  f 116.952  17.812  129.337    35.225  73.295     53.380  172.561    46.880  85.178  29.471  133.730 20.749  -48.55255      36.04306 
1 1 1 1   14 4  o 30.724   13.827  -6.6416    15.570  -10.3185   37.292  -5.8653    17.136  47.793  21.463  32.785  14.648  15.00765       25.98533 
1 1 1 1   14 5  o ?        ?       -36.1735   6.1000  -37.8151   32.822  -36.1148   6.2082  37.651  17.958  ?       ?       0.000000       17.95794 
1 1 1 1   14 6  o 53.160   19.191  23.489     22.824  12.142     41.134  28.536     27.434  57.142  24.099  58.024  21.025  -0.8813438     31.98188 
1 1 1 1   14 7  o 162.972  16.725  247.657    46.918  235.850    68.954  257.837    64.025  151.724 27.018  161.697 23.354  -9.972900      35.71267 
1 1 1 1   14 8  o 83.088   15.611  65.184     21.816  45.696     26.222  109.012    39.323  68.536  20.398  104.770 22.186  -36.23420      30.13825 
1 1 1 1   14 9  o 163.766  12.744  243.760    36.153  205.534    44.037  322.787    63.317  147.806 17.396  183.546 20.084  -35.74077      26.57098 
1 1 1 1   14 10 o 111.189  13.250  113.535    25.217  67.450     30.140  221.064    46.039  82.443  20.907  153.171 17.530  -70.72798      27.28377 
1 1 1 1   14 11 o 61.413   17.109  36.229     19.028  28.430     23.097  52.702     33.568  56.272  19.391  72.978  23.323  -16.70567      30.33113 
1 1 1 1   14 12 o 263.394  11.636  624.809    53.514  574.388    61.685  778.208    107.592 250.359 14.169  282.484 21.987  -32.12408      26.15672 
1 1 1 1   14 13 o 145.268  10.697  190.209    26.942  162.671    30.726  281.817    56.040  133.087 13.405  171.620 19.021  -38.53317      23.26960 
1 1 1 1   14 14 o 177.591  11.102  284.669    34.254  270.030    39.564  328.491    68.454  171.734 13.298  182.686 21.896  -10.95235      25.61779 
1 1 1 1   14 15 o 115.482  11.543  121.406    22.963  104.556    26.342  174.739    46.865  105.770 14.658  133.302 20.815  -27.53208      25.45825 
1 1 1 1   14 16 o 47.797   15.046  21.110     14.011  33.813     16.074  -19.0807   28.591  59.338  15.385  38.500  17.848  20.83750       23.56439 
1 1 1 1   14 17 o 53.132   14.899  26.907     14.381  33.098     16.447  6.8113     29.633  58.616  15.738  47.922  20.346  10.69410       25.72235 
1 1 1 1   14 18 o 120.257  11.396  131.835    23.643  124.375    27.333  154.003    47.116  115.651 13.809  123.015 22.774  -7.364182      26.63332 
1 1 1 1   14 19 o 168.950  12.557  261.694    36.777  261.694    36.777  0.0000     0.0000  168.950 12.557  ?       ?       0.000000       12.55661 
1 1 1 1   14 20 o 47.340   15.681  20.460     15.102  20.460     15.102  0.0000     0.0000  47.340  15.681  ?       ?       0.000000       15.68108 
1 1 1 1   14 21 o 207.786  16.080  408.805    57.887  408.805    57.887  0.0000     0.0000  207.786 16.080  ?       ?       0.000000       16.08025 
1 1 1 1   14 22 o 129.593  15.958  160.312    35.348  160.312    35.348  0.0000     0.0000  129.593 15.958  ?       ?       0.000000       15.95842 
1 1 1 1   14 23 f 104.293  13.478  102.033    23.969  102.033    23.969  0.0000     0.0000  104.293 13.478  ?       ?       0.000000       13.47774 
1 1 1 1   14 24 o 66.088   14.657  42.336     16.470  42.442     18.912  42.002     33.507  65.477  16.538  64.902  23.273  0.5750427      28.55041 
1 1 1 1   14 25 o 80.136   13.762  61.230     18.563  78.833     26.255  43.635     26.249  89.072  17.506  65.217  20.601  23.85538       27.03444 
1 1 1 1   14 26 o 136.590  10.926  171.138    25.839  186.480    36.802  156.221    36.288  139.456 15.369  126.417 16.860  13.03886       22.81367 
1 1 1 1   14 27 o 57.131   16.227  32.426     16.945  54.494     23.471  8.4013     24.489  72.963  18.420  44.287  18.632  28.67609       26.20007 
1 1 1 1   14 28 f 63.665   15.833  40.399     17.526  47.741     24.926  33.219     24.648  67.534  19.833  57.785  20.025  9.749447       28.18413 
1 1 1 1   14 29 o 145.672  11.136  196.046    28.110  171.941    39.949  219.684    39.560  130.878 17.954  150.765 15.237  -19.88646      23.54828 
1 1 1 1   14 30 o 77.583   14.816  59.114     19.339  58.440     27.634  59.761     27.073  73.652  20.653  74.732  20.245  -1.080475      28.92102 
1 1 1 1   14 31 f 37.364   15.111  8.0905     15.277  16.307     20.131  -3.0664    23.459  45.400  17.666  38.338  17.134  7.061680       24.60982 
1 1 1 1   14 32 o 138.576  12.101  180.682    28.986  151.053    39.501  215.253    42.668  120.126 19.501  146.458 17.001  -26.33179      25.87154 
1 1 1 1   14 33 f 62.650   16.462  40.368     18.243  24.774     23.324  64.938     29.277  51.305  19.245  76.387  21.201  -25.08213      28.63340 
1 1 1 1   14 34 o 62.388   19.313  41.977     23.195  21.096     37.989  54.387     29.288  53.926  22.969  69.262  21.745  -15.33642      31.62946 
1 1 1 1   14 35 o 57.887   19.278  35.818     22.814  18.306     37.205  46.370     28.881  52.376  22.530  64.070  21.691  -11.69383      31.27471 
1 1 1 1   14 36 o 56.570   19.443  34.259     23.215  46.282     39.356  27.843     28.749  63.173  24.667  53.542  21.032  9.630409       32.41625 
1 1 1 1   14 37 o 52.692   18.904  28.802     22.110  51.383     30.069  2.2174     32.625  66.084  22.134  44.658  20.064  21.42652       29.87417 
1 1 1 1   14 38 o 30.086   13.633  -4.8109    15.440  -4.8109    15.440  0.0000     0.0000  30.086  13.633  ?       ?       0.000000       13.63284 
1 1 1 1   14 39 o 61.271   18.780  41.986     21.995  41.986     21.995  0.0000     0.0000  61.271  18.780  ?       ?       0.000000       18.78033 
1 1 1 1   14 40 o 31.753   14.262  -2.7190    16.471  -2.7190    16.471  0.0000     0.0000  31.753  14.262  ?       ?       0.000000       14.26162 
1 1 1 1   14 41 f 84.924   19.308  82.050     27.982  63.408     38.067  103.964    41.273  68.063  24.751  87.439  25.476  -19.37671      35.51978 
1 1 1 1   14 42 o 53.628   17.564  32.040     18.965  22.050     23.088  52.768     33.256  47.342  18.767  63.346  23.119  -16.00373      29.77776 
1 1 1 1   15 0  o 86.442   14.319  71.776     20.855  71.776     20.855  0.0000     0.0000  86.442  14.319  ?       ?       0.000000       14.31860 
1 1 1 1   15 1  o 141.416  10.746  183.272    26.336  173.371    30.547  211.942    51.981  136.041 13.019  142.821 21.512  -6.780090      25.14476 
1 1 1 1   15 2  o 151.650  10.828  210.805    28.482  209.501    32.989  214.621    56.451  149.837 12.730  141.375 23.708  8.462585       26.90915 
1 1 1 1   15 3  o 161.369  10.942  238.870    30.648  220.127    35.545  293.179    60.507  153.030 13.439  168.702 20.995  -15.67197      24.92781 
1 1 1 1   15 4  o 105.536  11.363  103.141    20.609  94.457     23.923  128.131    40.584  99.410  14.185  110.118 21.878  -10.70817      26.07434 
1 1 1 1   15 5  o 119.821  10.912  132.162    22.580  117.476    26.295  173.398    44.063  111.205 13.842  130.169 20.029  -18.96449      24.34645 
1 1 1 1   15 6  o 70.357   16.023  49.193     19.244  49.193     19.244  0.0000     0.0000  70.357  16.023  ?       ?       0.000000       16.02324 
1 1 1 1   15 7  f 136.471  11.177  171.766    26.401  159.635    30.609  207.013    52.173  129.819 13.711  140.069 22.063  -10.24994      25.97609 
1 1 1 1   15 8  o 110.655  11.245  113.396    21.425  112.705    24.557  115.602    43.844  109.205 13.142  101.228 24.962  7.977036       28.21075 
1 1 1 1   15 9  o 46.320   15.091  20.339     14.009  17.824     15.681  30.283     31.179  44.755  15.934  57.399  22.083  -12.64406      27.23127 
1 1 1 1   15 10 o 89.205   13.546  76.112     20.436  57.516     23.835  127.713    39.706  74.685  18.398  109.649 21.507  -34.96470      28.30280 
1 1 1 1   15 11 o 96.634   13.858  89.549     22.713  76.896     26.345  126.183    44.827  86.878  17.960  105.671 24.733  -18.79288      30.56601 
1 1 1 1   15 12 o 83.121   12.921  65.888     18.144  61.239     20.520  82.548     38.845  78.687  15.487  84.637  24.732  -5.949860      29.18043 
1 1 1 1   15 13 o 123.132  13.697  144.740    28.948  144.740    28.948  0.0000     0.0000  123.132 13.697  ?       ?       0.000000       13.69660 
1 1 1 1   15 14 o 174.211  13.435  288.055    40.550  288.055    40.550  0.0000     0.0000  174.211 13.435  ?       ?       0.000000       13.43457 
1 1 1 1   15 15 o 67.035   16.970  46.048     19.882  46.048     19.882  0.0000     0.0000  67.035  16.970  ?       ?       0.000000       16.97016 
1 1 1 1   15 16 o 140.771  13.035  188.241    31.675  188.241    31.675  0.0000     0.0000  140.771 13.035  ?       ?       0.000000       13.03483 
1 1 1 1   15 17 o 32.539   13.882  2.2221     13.916  2.2221     13.916  0.0000     0.0000  32.539  13.882  ?       ?       0.000000       13.88159 
1 1 1 1   15 18 o 97.191   12.569  90.102     20.831  88.197     23.868  96.191     42.668  94.560  14.953  88.750  25.916  5.810722       29.92080 
1 1 1 1   15 19 o 111.994  14.091  121.984    26.945  126.042    32.860  113.655    47.077  110.920 17.551  95.095  27.059  15.82489       32.25266 
1 1 1 1   15 20 o 75.740   16.126  58.504     20.672  54.744     24.723  67.242     37.689  71.030  19.391  74.475  24.777  -3.444824      31.46287 
1 1 1 1   15 21 o 75.475   16.307  58.472     20.862  56.856     24.842  62.338     38.424  72.291  19.314  71.433  24.988  0.8578491      31.58179 
1 1 1 1   15 22 o 47.990   16.955  22.450     17.722  19.025     21.952  28.860     30.032  47.066  18.410  54.533  21.472  -7.466763      28.28398 
1 1 1 1   15 23 o 82.281   16.046  69.339     22.225  71.069     27.198  65.863     38.560  80.474  19.549  72.496  25.050  7.977814       31.77579 
1 1 1 1   15 24 o 53.123   17.193  29.458     18.197  39.994     22.289  8.3947     31.514  60.474  18.967  46.260  20.304  14.21427       27.78465 
1 1 1 1   15 25 o 104.153  14.994  108.999    26.482  101.204    33.312  122.385    43.654  94.884  20.690  98.993  25.193  -4.108574      32.59986 
1 1 1 1   15 26 o 39.995   15.866  12.154     16.511  16.007     20.306  4.6368     28.365  44.156  17.570  43.071  19.068  1.085342       25.92851 
1 1 1 1   15 27 o 53.034   17.710  30.012     19.249  43.920     24.145  5.7555     31.887  62.140  19.772  44.970  20.045  17.17039       28.15588 
1 1 1 1   15 28 o 49.316   16.933  25.287     17.605  4.7258     21.410  68.203     30.933  38.822  16.894  74.874  22.124  -36.05158      27.83685 
1 1 1 1   15 29 f 107.999  19.293  129.659    35.046  224.913    55.530  66.603     45.180  134.457 24.558  68.445  26.512  66.01141       36.13802 
1 1 1 1   15 30 o 55.371   20.696  35.035     26.928  41.473     46.351  31.754     33.084  58.824  25.221  54.178  22.115  4.645885       33.54366 
1 1 1 1   15 31 o 110.880  20.370  142.105    37.984  142.773    59.080  141.634    49.591  91.287  31.024  99.105  27.624  -7.817429      41.53962 
1 1 1 1   15 32 f 23.893   11.632  -22.6954   15.568  -12.6622   33.480  -25.4630   17.584  39.577  18.657  25.244  12.306  14.33215       22.35028 
1 1 1 1   15 33 o 96.685   13.530  94.851     22.215  78.547     31.316  111.368    31.519  78.579  21.969  98.691  18.980  -20.11227      29.03218 
1 1 1 1   15 34 o 62.857   16.215  43.705     17.914  63.192     24.470  21.200     26.297  73.134  18.993  46.959  19.497  26.17466       27.21949 
1 1 1 1   15 35 o 74.417   16.129  60.911     20.353  73.924     26.823  43.250     31.248  78.130  19.674  57.141  22.072  20.98909       29.56741 
1 1 1 1   16 0  o 78.538   14.519  62.712     19.177  58.588     22.385  74.092     37.180  73.349  17.684  75.187  24.590  -1.837914      30.28893 
1 1 1 1   16 1  o 165.129  12.531  264.433    35.862  239.575    43.428  317.724    63.585  151.533 16.690  163.916 22.837  -12.38322      28.28555 
1 1 1 1   16 2  o 164.353  12.609  262.363    35.907  235.288    43.506  320.214    63.595  149.781 16.933  164.707 22.718  -14.92618      28.33369 
1 1 1 1   16 3  f 64.322   15.272  43.175     16.896  39.066     19.693  54.632     32.887  59.651  17.660  66.004  23.116  -6.353210      29.08982 
1 1 1 1   16 4  o 89.831   13.642  80.521     20.726  77.193     25.188  87.499     36.469  84.506  17.640  82.923  23.887  1.583458       29.69474 
1 1 1 1   16 5  o 122.730  16.177  156.479    33.823  156.479    33.823  0.0000     0.0000  122.730 16.177  ?       ?       0.000000       16.17730 
1 1 1 1   16 6  o 36.017   14.327  9.3284     13.497  9.3284     13.497  0.0000     0.0000  36.017  14.327  ?       ?       0.000000       14.32686 
1 1 1 1   16 7  o 54.531   16.899  32.153     17.754  32.153     17.754  0.0000     0.0000  54.531  16.899  ?       ?       0.000000       16.89927 
1 1 1 1   16 8  o 36.626   14.449  10.146     13.623  10.146     13.623  0.0000     0.0000  36.626  14.449  ?       ?       0.000000       14.44893 
1 1 1 1   16 9  o 32.843   13.765  4.8998     13.286  4.8998     13.286  0.0000     0.0000  32.843  13.765  ?       ?       0.000000       13.76537 
1 1 1 1   16 10 o 43.133   15.374  18.257     14.601  18.257     14.601  0.0000     0.0000  43.133  15.374  ?       ?       0.000000       15.37395 
1 1 1 1   16 11 o 34.454   14.010  7.5646     13.213  -2.9360    14.392  63.929     33.344  29.594  13.308  70.048  23.305  -40.45374      26.83734 
1 1 1 1   16 12 o 54.952   15.412  32.173     15.386  25.524     17.136  59.830     34.949  49.009  16.708  66.999  23.796  -17.98999      29.07557 
1 1 1 1   16 13 o 37.711   15.624  9.1054     16.835  11.369     19.979  3.5619     31.264  40.660  16.948  43.031  19.458  -2.370743      25.80372 
1 1 1 1   16 14 o 64.166   15.086  43.550     16.618  40.001     18.643  57.269     36.659  60.042  17.009  64.744  24.158  -4.702316      29.54510 
1 1 1 1   16 15 o 71.594   15.131  54.075     18.323  40.733     20.434  108.807    41.387  59.694  18.062  88.537  25.430  -28.84324      31.19143 
1 1 1 1   16 16 o 55.892   16.245  34.318     16.800  39.418     18.574  11.377     39.394  59.347  17.033  47.732  21.686  11.61467       27.57575 
1 1 1 1   16 17 o 44.839   15.392  20.939     14.547  22.218     15.777  13.681     37.583  45.940  16.015  47.647  21.459  -1.706806      26.77605 
1 1 1 1   16 18 f 55.290   15.582  33.348     15.688  25.130     17.328  70.719     36.948  48.090  16.782  70.002  24.502  -21.91209      29.69877 
1 1 1 1   16 19 f 40.804   15.182  16.162     14.459  13.331     16.187  27.333     32.155  39.448  15.690  50.554  21.313  -11.10568      26.46575 
1 1 1 1   16 20 o 46.368   15.754  23.177     15.236  28.684     17.512  6.0270     30.901  50.508  16.892  42.571  19.288  7.936710       25.63934 
1 1 1 1   16 21 o 19.164   9.3279  -15.4235   9.9957  -6.2733    11.036  -57.2300   23.588  24.035  11.124  24.581  12.353  -0.5453033     16.62342 
1 1 1 1   16 22 o 47.282   16.481  24.808     16.709  31.388     19.913  9.1548     30.716  51.691  17.994  43.047  19.392  8.643848       26.45420 
1 1 1 1   16 23 o 75.284   17.049  64.750     21.890  56.999     25.980  83.721     40.644  66.329  20.424  71.725  25.641  -5.395615      32.78152 
1 1 1 2   0  0  o 212.382  14.674  399.669    53.818  399.669    53.818  399.669    53.818  212.382 14.674  212.382 14.674  0.000000       0.000000 
1 1 1 2   0  1  o 761.657  30.978  5105.21    410.433 5105.21    410.433 5105.21    410.433 761.657 30.978  761.657 30.978  0.000000       0.000000 
1 1 1 2   0  2  o 407.766  19.681  1463.53    139.381 1463.53    139.381 1463.53    139.381 407.766 19.681  407.766 19.681  0.000000       0.000000 
1 1 1 2   0  3  o 980.606  38.873  8475.16    663.208 8475.16    663.208 8475.16    663.208 980.606 38.873  980.606 38.873  0.000000       0.000000 
1 1 1 2   0  4  o 1014.29  39.847  9069.13    703.218 9069.13    703.218 9069.13    703.218 1014.29 39.847  1014.29 39.847  0.000000       0.000000 
1 1 1 2   0  5  o 1368.59  53.104  16576.08   1264.67 16576.08   1264.67 16576.08   1264.67 1368.59 53.104  1368.59 53.104  0.000000       0.000000 
1 1 1 2   0  6  o 651.296  27.207  3731.67    308.177 3731.67    308.177 3731.67    308.177 651.296 27.207  651.296 27.207  0.000000       0.000000 
1 1 1 2   0  7  o 530.497  23.352  2475.68    215.356 2475.68    215.356 2475.68    215.356 530.497 23.352  530.497 23.352  0.000000       0.000000 
1 1 1 2   0  8  o 1759.35  67.840  27563.51   2076.96 27563.51   2076.96 27563.51   2076.96 1759.35 67.840  1759.35 67.840  0.000000       0.000000 
1 1 1 2   0  9  o 1421.85  54.971  17911.74   1360.09 17911.74   1360.09 17911.74   1360.09 1421.85 54.971  1421.85 54.971  0.000000       0.000000 
1 1 1 2   0  10 o 804.911  32.423  5704.49    454.010 5704.49    454.010 5704.49    454.010 804.911 32.423  804.911 32.423  0.000000       0.000000 
1 1 1 2   0  11 f 911.357  52.188  7392.17    824.243 7392.17    824.243 7392.17    824.243 911.357 52.188  911.357 52.188  0.000000       0.000000 
1 1 1 2   0  12 o 273.091  23.284  666.447    109.170 666.447    109.170 666.447    109.170 273.091 23.284  273.091 23.284  0.000000       0.000000 
1 1 1 2   0  13 o 70.710   23.109  55.703     25.275  55.703     25.275  55.703     25.275  70.710  23.109  70.710  23.109  0.000000       0.000000 
1 1 1 2   0  14 o 704.824  29.223  4373.63    358.237 4373.63    358.237 4373.63    358.237 704.824 29.223  704.824 29.223  0.000000       0.000000 
1 1 1 2   0  15 o 1279.71  49.861  14503.84   1110.30 14503.84   1110.30 14503.84   1110.30 1279.71 49.861  1279.71 49.861  0.000000       0.000000 
1 1 1 2   0  16 o 921.582  36.795  7491.64    589.940 7491.64    589.940 7491.64    589.940 921.582 36.795  921.582 36.795  0.000000       0.000000 
1 1 1 2   0  17 o 1437.08  55.838  18355.95   1396.33 18355.95   1396.33 18355.95   1396.33 1437.08 55.838  1437.08 55.838  0.000000       0.000000 
1 1 1 2   0  18 o 252.714  15.769  564.672    68.960  564.672    68.960  564.672    68.960  252.714 15.769  252.714 15.769  0.000000       0.000000 
1 1 1 2   0  19 o 1829.38  71.192  30069.93   2266.21 30069.93   2266.21 30069.93   2266.21 1829.38 71.192  1829.38 71.192  0.000000       0.000000 
1 1 1 2   0  20 o ?        ?       -25.0798   1.4905  -25.0798   1.4905  -25.0798   1.4905  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 2   0  21 o 621.945  26.438  3408.69    285.924 3408.69    285.924 3408.69    285.924 621.945 26.438  621.945 26.438  0.000000       0.000000 
1 1 1 2   0  22 o 192.678  14.618  330.103    48.528  330.103    48.528  330.103    48.528  192.678 14.618  192.678 14.618  0.000000       0.000000 
1 1 1 2   0  23 o 141.596  21.089  186.785    48.736  186.785    48.736  186.785    48.736  141.596 21.089  141.596 21.089  0.000000       0.000000 
1 1 1 2   0  24 o 138.063  21.172  178.254    47.471  178.254    47.471  178.254    47.471  138.063 21.172  138.063 21.172  0.000000       0.000000 
1 1 1 2   0  25 o 33.201   17.343  14.001     13.174  14.001     13.174  14.001     13.174  33.201  17.343  33.201  17.343  0.000000       0.000000 
1 1 1 2   0  26 f 279.834  16.100  692.124    78.068  692.124    78.068  692.124    78.068  279.834 16.100  279.834 16.100  0.000000       0.000000 
1 1 1 2   0  27 o 268.556  16.100  638.175    74.874  638.175    74.874  638.175    74.874  268.556 16.100  268.556 16.100  0.000000       0.000000 
1 1 1 2   0  28 o 624.242  26.644  3449.60    289.207 3449.60    289.207 3449.60    289.207 624.242 26.644  624.242 26.644  0.000000       0.000000 
1 1 1 2   0  29 o 389.723  19.237  1342.06    130.180 1342.06    130.180 1342.06    130.180 389.723 19.237  389.723 19.237  0.000000       0.000000 
1 1 1 2   0  30 o 689.578  28.913  4222.15    346.733 4222.15    346.733 4222.15    346.733 689.578 28.913  689.578 28.913  0.000000       0.000000 
1 1 1 2   0  31 o 209.483  14.884  390.127    53.811  390.127    53.811  390.127    53.811  209.483 14.884  209.483 14.884  0.000000       0.000000 
1 1 1 2   0  32 o 95.734   24.109  94.252     34.854  94.252     34.854  94.252     34.854  95.734  24.109  95.734  24.109  0.000000       0.000000 
1 1 1 2   0  33 o 67.385   17.031  46.610     17.329  46.610     17.329  46.610     17.329  67.385  17.031  67.385  17.031  0.000000       0.000000 
1 1 1 2   0  34 o 140.303  21.493  184.539    48.983  184.539    48.983  184.539    48.983  140.303 21.493  140.303 21.493  0.000000       0.000000 
1 1 1 2   0  35 o 719.442  43.320  4684.60    539.670 4684.60    539.670 4684.60    539.670 719.442 43.320  719.442 43.320  0.000000       0.000000 
1 1 1 2   0  36 o 127.083  21.995  153.802    44.422  153.802    44.422  153.802    44.422  127.083 21.995  127.083 21.995  0.000000       0.000000 
1 1 1 2   0  37 o 166.376  14.819  247.990    42.263  247.990    42.263  247.990    42.263  166.376 14.819  166.376 14.819  0.000000       0.000000 
1 1 1 2   0  38 o 186.620  14.243  310.016    45.791  310.016    45.791  310.016    45.791  186.620 14.243  186.620 14.243  0.000000       0.000000 
1 1 1 2   0  39 o 311.873  16.440  858.717    88.955  858.717    88.955  858.717    88.955  311.873 16.440  311.873 16.440  0.000000       0.000000 
1 1 1 2   0  40 o 496.710  21.926  2177.67    189.316 2177.67    189.316 2177.67    189.316 496.710 21.926  496.710 21.926  0.000000       0.000000 
1 1 1 2   0  41 o 508.255  21.770  2279.18    192.390 2279.18    192.390 2279.18    192.390 508.255 21.770  508.255 21.770  0.000000       0.000000 
1 1 1 2   0  42 o 35.656   17.339  16.372     12.670  16.372     12.670  16.372     12.670  35.656  17.339  35.656  17.339  0.000000       0.000000 
1 1 1 2   0  43 o 32.581   17.848  12.949     14.550  12.949     14.550  12.949     14.550  32.581  17.848  32.581  17.848  0.000000       0.000000 
1 1 1 2   0  44 o 128.546  15.720  151.002    33.872  151.002    33.872  151.002    33.872  128.546 15.720  128.546 15.720  0.000000       0.000000 
1 1 1 2   0  45 o 504.990  32.781  2283.11    286.252 2283.11    286.252 2283.11    286.252 504.990 32.781  504.990 32.781  0.000000       0.000000 
1 1 1 2   0  46 o 108.601  25.352  118.954    41.794  118.954    41.794  118.954    41.794  108.601 25.352  108.601 25.352  0.000000       0.000000 
1 1 1 2   0  47 f 601.545  37.389  3253.74    389.237 3253.74    389.237 3253.74    389.237 601.545 37.389  601.545 37.389  0.000000       0.000000 
1 1 1 2   0  48 o 133.219  23.728  169.930    49.975  169.930    49.975  169.930    49.975  133.219 23.728  133.219 23.728  0.000000       0.000000 
1 1 1 2   0  49 o 195.423  15.247  340.594    51.296  340.594    51.296  340.594    51.296  195.423 15.247  195.423 15.247  0.000000       0.000000 
1 1 1 2   0  50 o 465.520  20.556  1915.68    166.343 1915.68    166.343 1915.68    166.343 465.520 20.556  465.520 20.556  0.000000       0.000000 
1 1 1 2   0  51 o 727.464  44.214  4823.70    556.858 4823.70    556.858 4823.70    556.858 727.464 44.214  727.464 44.214  0.000000       0.000000 
1 1 1 2   0  52 f 510.948  33.745  2356.15    298.044 2356.15    298.044 2356.15    298.044 510.948 33.745  510.948 33.745  0.000000       0.000000 
1 1 1 2   0  53 o 147.664  32.082  218.254    72.499  218.254    72.499  218.254    72.499  147.664 32.082  147.664 32.082  0.000000       0.000000 
1 1 1 2   0  54 o 220.516  24.134  444.727    90.093  444.727    90.093  444.727    90.093  220.516 24.134  220.516 24.134  0.000000       0.000000 
1 1 1 2   0  55 o 433.255  30.296  1698.63    226.611 1698.63    226.611 1698.63    226.611 433.255 30.296  433.255 30.296  0.000000       0.000000 
1 1 1 2   0  56 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 2   0  57 o 149.561  31.638  224.188    72.680  224.188    72.680  224.188    72.680  149.561 31.638  149.561 31.638  0.000000       0.000000 
1 1 1 2   0  58 o 183.428  26.438  317.847    79.565  317.847    79.565  317.847    79.565  183.428 26.438  183.428 26.438  0.000000       0.000000 
1 1 1 2   0  59 o 478.746  20.871  2047.28    173.709 2047.28    173.709 2047.28    173.709 478.746 20.871  478.746 20.871  0.000000       0.000000 
1 1 1 2   0  60 o 708.820  27.939  4565.84    344.563 4565.84    344.563 4565.84    344.563 708.820 27.939  708.820 27.939  0.000000       0.000000 
1 1 1 2   0  61 o 560.281  21.824  2823.19    212.764 2823.19    212.764 2823.19    212.764 560.281 21.824  560.281 21.824  0.000000       0.000000 
1 1 1 2   0  62 o 119.467  18.636  135.692    36.056  135.692    36.056  135.692    36.056  119.467 18.636  119.467 18.636  0.000000       0.000000 
1 1 1 2   0  63 o 96.229   21.244  93.734     31.221  93.734     31.221  93.734     31.221  96.229  21.244  96.229  21.244  0.000000       0.000000 
1 1 1 2   0  64 o 353.017  17.885  1124.92    109.597 1124.92    109.597 1124.92    109.597 353.017 17.885  353.017 17.885  0.000000       0.000000 
1 1 1 2   0  65 o 192.241  15.496  336.088    51.237  336.088    51.237  336.088    51.237  192.241 15.496  192.241 15.496  0.000000       0.000000 
1 1 1 2   0  66 o 16.075   11.755  -49.7103   20.481  -49.7103   20.481  -49.7103   20.481  16.075  11.755  16.075  11.755  0.000000       0.000000 
1 1 1 2   0  67 o 212.946  24.150  438.066    86.813  438.066    86.813  438.066    86.813  212.946 24.150  212.946 24.150  0.000000       0.000000 
1 1 1 2   0  68 o 15.122   11.027  -39.1447   17.267  -39.1447   17.267  -39.1447   17.267  15.122  11.027  15.122  11.027  0.000000       0.000000 
1 1 1 2   0  69 o 32.807   20.991  4.6335     26.987  4.6335     26.987  4.6335     26.987  32.807  20.991  32.807  20.991  0.000000       0.000000 
1 1 1 2   0  70 o 23.962   16.316  -9.9752    20.931  -9.9752    20.931  -9.9752    20.931  23.962  16.316  23.962  16.316  0.000000       0.000000 
1 1 1 2   0  71 o 86.086   25.239  85.809     32.956  85.809     32.956  85.809     32.956  86.086  25.239  86.086  25.239  0.000000       0.000000 
1 1 1 2   0  72 o 29.610   19.132  2.7859     23.135  2.7859     23.135  2.7859     23.135  29.610  19.132  29.610  19.132  0.000000       0.000000 
1 1 1 2   0  73 o 110.790  20.269  126.606    35.331  126.606    35.331  126.606    35.331  110.790 20.269  110.790 20.269  0.000000       0.000000 
1 1 1 2   0  74 o 52.851   26.192  42.879     29.138  42.879     29.138  42.879     29.138  52.851  26.192  52.851  26.192  0.000000       0.000000 
1 1 1 2   0  75 o 79.184   35.805  105.532    53.273  105.532    53.273  105.532    53.273  79.184  35.805  79.184  35.805  0.000000       0.000000 
1 1 1 2   0  76 o 166.952  17.508  276.829    49.754  276.829    49.754  276.829    49.754  166.952 17.508  166.952 17.508  0.000000       0.000000 
1 1 1 2   0  77 o 114.734  35.716  189.413    62.709  189.413    62.709  189.413    62.709  114.734 35.716  114.734 35.716  0.000000       0.000000 
1 1 1 2   1  0  o 1163.44  45.449  11977.36   923.277 12121.61   1305.71 11833.11   1305.71 1160.85 64.675  1146.48 65.497  14.36536       92.04740 
1 1 1 2   1  1  o 946.371  30.466  7866.85    503.437 7897.37    616.578 7805.82    871.990 946.772 37.298  935.308 53.618  11.46350       65.31451 
1 1 1 2   1  2  o 1802.17  48.712  28799.85   1532.82 27669.84   2167.73 29929.87   2167.74 1751.39 70.886  1823.80 68.072  -72.40735      98.27792 
1 1 1 2   1  3  o 518.721  18.630  2354.53    168.733 2274.07    206.655 2515.47    292.256 509.455 23.232  534.104 31.477  -24.64890      39.12204 
1 1 1 2   1  4  o 242.619  11.975  514.401    50.730  572.162    62.141  398.982    87.841  255.453 13.985  212.004 24.161  43.44913       27.91657 
1 1 1 2   1  5  o 1422.09  38.593  17834.42   958.283 18543.37   1355.22 17125.48   1355.21 1443.29 53.777  1385.89 56.004  57.40479       77.64247 
1 1 1 2   1  6  f 1318.58  35.865  15313.31   825.734 14947.63   1167.76 15679.00   1167.77 1296.69 51.577  1328.60 50.338  -31.91003      72.07001 
1 1 1 2   1  7  o 428.614  14.031  1606.06    105.006 1439.51    148.490 1772.65    148.512 404.891 21.077  450.046 18.899  -45.15488      28.30896 
1 1 1 2   1  8  o 932.189  25.789  7622.11    419.756 8147.61    593.632 7096.63    593.618 961.816 35.348  897.055 37.899  64.76086       51.82456 
1 1 1 2   1  9  o 179.473  11.492  282.628    35.822  287.861    43.878  272.168    62.033  180.916 13.999  175.088 20.691  5.828293       24.98176 
1 1 1 2   1  10 o 194.428  13.448  332.039    45.372  462.865    64.213  201.596    64.119  229.475 16.129  149.548 25.468  79.92622       30.14541 
1 1 1 2   1  11 o 661.060  27.331  3836.46    315.469 4411.06    446.150 3261.91    446.132 706.443 36.292  605.763 42.447  100.6797       55.84690 
1 1 1 2   1  12 o 1698.47  66.316  26031.05   1966.72 26083.81   2781.35 25978.29   2781.38 1668.77 95.857  1665.14 96.072  3.639648       135.7140 
1 1 1 2   1  13 o 841.371  27.396  6216.59    402.472 6008.15    492.917 6633.53    697.129 825.803 34.185  863.240 46.421  -37.43726      57.65015 
1 1 1 2   1  14 o 524.465  16.225  2406.50    148.584 2308.38    210.125 2504.64    210.135 513.070 23.455  534.528 22.515  -21.45837      32.51229 
1 1 1 2   1  15 o 1025.77  28.489  9248.21    510.263 9147.38    721.620 9349.05    721.623 1016.63 40.652  1027.93 40.205  -11.29828      57.17572 
1 1 1 2   1  16 f 591.159  17.705  3059.28    182.750 3129.76    258.450 2988.80    258.444 597.154 24.787  583.478 25.368  13.67609       35.46714 
1 1 1 2   1  17 o 980.562  27.284  8451.32    467.145 8151.04    660.638 8751.60    660.647 959.464 39.434  994.666 38.039  -35.20172      54.79066 
1 1 1 2   1  18 o 479.561  15.286  2012.33    128.001 2019.75    181.023 2004.91    181.017 479.907 21.603  478.133 21.682  1.774200       30.60745 
1 1 1 2   1  19 o 223.274  12.130  437.158    47.111  454.445    81.593  428.513    57.701  226.704 20.846  220.781 15.058  5.922531       25.71559 
1 1 1 2   1  20 o 668.402  19.636  3916.93    229.163 3972.12    324.088 3861.74    324.082 671.706 27.633  662.228 28.028  9.478149       39.35857 
1 1 1 2   1  21 o 743.603  24.784  4862.87    321.791 4906.81    394.116 4774.99    557.346 745.619 30.272  729.948 43.934  15.67078       53.35332 
1 1 1 2   1  22 o 775.810  25.756  5300.48    348.903 5329.98    427.322 5241.49    604.305 776.295 31.526  763.244 45.553  13.05078       55.39788 
1 1 1 2   1  23 o 172.590  14.117  262.545    42.170  266.406    59.662  258.691    59.612  173.024 20.124  170.416 20.441  2.608307       28.68521 
1 1 1 2   1  24 o 248.216  15.530  542.106    66.970  555.687    94.733  528.539    94.685  250.373 21.890  244.031 22.474  6.341629       31.37267 
1 1 1 2   1  25 o 491.448  17.979  2121.04    154.282 2251.49    267.254 2055.83    188.946 502.661 30.596  483.051 22.402  19.61026       37.92002 
1 1 1 2   1  26 f 238.454  12.492  499.323    51.830  424.005    89.773  536.981    63.478  217.846 23.999  247.026 14.785  -29.18021      28.18791 
1 1 1 2   1  27 o 556.412  17.078  2720.47    165.923 2667.50    234.642 2773.46    234.660 549.099 24.473  560.041 23.997  -10.94177      34.27532 
1 1 1 2   1  28 f 67.930   9.6321  41.177     11.105  43.042     15.709  39.315     15.700  68.877  13.544  65.701  14.107  3.175644       19.55664 
1 1 1 2   1  29 o 503.549  18.351  2233.30    161.352 2389.13    279.509 2155.42    197.602 515.695 31.188  493.475 22.933  22.21973       38.71205 
1 1 1 2   1  30 o 200.695  10.291  353.607    35.942  371.865    50.833  335.354    50.826  205.313 14.268  194.802 15.060  10.51065       20.74568 
1 1 1 2   1  31 o 239.884  10.772  504.078    45.120  513.444    63.866  494.744    63.754  241.226 15.241  236.730 15.509  4.495911       21.74488 
1 1 1 2   1  32 o 621.225  18.446  3402.84    200.088 3281.26    282.967 3524.42    282.967 606.751 26.709  629.283 25.753  -22.53265      37.10262 
1 1 1 2   1  33 o 232.786  12.407  476.513    50.247  486.223    86.936  471.641    61.573  233.488 21.568  231.151 15.343  2.337280       26.46847 
1 1 1 2   1  34 o 9.3305   4.6513  -7.9902    3.0437  10.686     5.4173  -16.6058   3.6794  34.320  8.9480  ?       ?       0.000000       8.948029 
1 1 1 2   1  35 o 666.520  28.142  3958.03    327.509 4023.42    463.161 3892.63    463.175 664.087 40.132  652.665 40.849  11.42194       57.26456 
1 1 1 2   1  36 o 441.705  20.572  1720.63    158.661 1878.58    224.415 1562.79    224.345 458.712 28.155  417.228 31.017  41.48422       41.88958 
1 1 1 2   1  37 o 103.184  11.393  94.345     20.184  84.872     24.868  112.636    34.556  97.217  15.143  111.743 18.348  -14.52643      23.78949 
1 1 1 2   1  38 o 461.556  17.007  1870.98    137.061 2037.39    237.503 1787.88    167.828 478.255 28.572  450.422 21.339  27.83276       35.66114 
1 1 1 2   1  39 o 222.055  10.374  431.412    40.223  445.260    56.957  417.636    56.810  224.888 14.584  217.711 15.037  7.176926       20.94715 
1 1 1 2   1  40 o 845.161  23.907  6306.29    352.793 6500.83    498.929 6111.75    498.922 853.544 33.477  827.026 34.550  26.51855       48.10869 
1 1 1 2   1  41 o 210.607  10.261  388.036    37.732  398.540    53.319  377.499    53.403  212.739 14.440  206.965 14.877  5.773773       20.73215 
1 1 1 2   1  42 o 195.799  9.7369  335.327    33.289  286.766    46.311  387.239    47.883  180.241 14.847  209.843 13.135  -29.60135      19.82323 
1 1 1 2   1  43 o 328.668  12.055  945.841    69.182  902.495    97.458  989.870    98.225  320.061 17.505  335.774 16.754  -15.71246      24.23055 
1 1 1 2   1  44 o 86.562   12.776  67.041     18.730  76.833     22.601  45.571     33.466  92.519  14.464  72.693  23.293  19.82571       27.41894 
1 1 1 2   1  45 f 717.904  23.851  4554.54    298.981 4713.71    366.224 4236.46    517.712 728.330 28.798  681.500 43.738  46.82996       52.36718 
1 1 1 2   1  46 o 291.800  23.941  757.685    120.906 757.685    120.906 0.0000     0.0000  291.800 23.941  ?       ?       0.000000       23.94107 
1 1 1 2   1  47 o 340.657  16.864  1019.80    100.307 848.478    140.357 1198.64    143.402 308.214 26.333  367.736 22.441  -59.52139      34.59836 
1 1 1 2   1  48 o 578.834  24.242  2966.78    245.014 2695.42    345.705 3240.65    347.305 545.804 36.485  600.411 33.258  -54.60626      49.36864 
1 1 1 2   1  49 o 316.494  13.766  878.731    76.075  829.768    130.311 904.047    93.700  304.982 24.682  320.211 16.818  -15.22836      29.86713 
1 1 1 2   1  50 o 282.083  12.420  697.569    61.172  510.286    104.141 796.232    75.587  238.422 25.407  301.161 14.374  -62.73904      29.19144 
1 1 1 2   1  51 o 127.285  13.133  143.633    28.770  112.967    46.014  163.315    36.863  110.708 24.456  135.375 15.898  -24.66673      29.16935 
1 1 1 2   1  52 o 297.656  11.420  776.597    59.353  762.294    84.035  790.834    83.840  293.826 16.446  299.362 16.099  -5.535217      23.01379 
1 1 1 2   1  53 o 143.990  11.696  183.010    29.151  151.825    40.258  217.383    42.266  129.933 18.248  156.396 15.689  -26.46303      24.06525 
1 1 1 2   1  54 o 534.725  14.995  2516.41    140.006 2543.64    197.585 2488.95    198.413 535.503 21.131  529.586 21.457  5.917542       30.11558 
1 1 1 2   1  55 o 359.394  13.341  1135.53    83.717  1278.09    148.256 1068.79    101.438 378.228 22.551  347.991 16.694  30.23715       28.05825 
1 1 1 2   1  56 f 616.369  19.695  3372.56    211.963 4167.66    368.815 2980.42    259.011 676.774 31.211  576.056 25.751  100.7177       40.46234 
1 1 1 2   1  57 o 267.724  17.738  637.920    82.450  573.707    116.009 703.463    117.205 250.709 26.923  278.939 24.307  -28.22978      36.27211 
1 1 1 2   1  58 o 352.982  19.120  1112.46    117.402 1028.88    165.698 1196.73    166.368 334.851 28.615  362.534 26.465  -27.68289      38.97702 
1 1 1 2   1  59 o 151.866  16.126  206.783    42.108  206.783    42.108  0.0000     0.0000  151.866 16.126  ?       ?       0.000000       16.12650 
1 1 1 2   1  60 o 42.245   16.514  9.7574     17.653  18.803     23.902  -1.0982    26.184  52.167  19.499  43.984  18.910  8.182564       27.16222 
1 1 1 2   1  61 o 178.015  12.656  281.607    39.082  286.184    49.268  273.838    64.184  178.548 15.972  172.615 21.780  5.932602       27.00905 
1 1 1 2   1  62 o 73.824   15.660  50.417     19.561  39.252     27.526  61.807     27.803  66.122  21.119  81.119  19.802  -14.99631      28.95067 
1 1 1 2   1  63 o 30.510   13.572  -5.1370    14.539  -8.3413    20.398  -1.8279    20.729  35.542  15.924  38.615  16.713  -3.073471      23.08438 
1 1 1 2   1  64 o 222.313  10.914  437.626    42.367  393.079    59.624  483.056    60.213  208.222 16.536  231.700 14.963  -23.47737      22.30089 
1 1 1 2   1  65 o 31.020   14.202  -11.2294   17.316  5.5659     22.681  -34.7018   26.813  43.602  18.106  33.698  16.116  9.904087       24.23948 
1 1 1 2   1  66 o 208.977  12.707  392.041    46.148  412.802    57.516  354.521    77.321  213.014 15.572  192.470 23.495  20.54378       28.18692 
1 1 1 2   1  67 o 112.793  14.073  116.443    27.113  125.706    34.323  101.072    44.214  115.874 17.511  100.364 25.252  15.51003       30.72895 
1 1 1 2   1  68 o 53.918   18.833  25.072     21.822  75.608     31.836  -19.7136   29.971  87.758  21.048  39.876  18.411  47.88237       27.96390 
1 1 1 2   1  69 o 102.989  15.437  99.186     26.905  71.097     40.380  121.611    36.080  83.448  25.421  112.453 19.056  -29.00517      31.77054 
1 1 1 2   1  70 o 46.948   18.018  15.667     20.725  28.755     27.738  -0.8729    31.183  57.829  21.113  46.305  20.263  11.52480       29.26333 
1 1 1 2   1  71 o 99.262   14.453  92.392     24.314  99.613     32.824  83.612     36.194  100.561 19.397  90.040  22.953  10.52097       30.05109 
1 1 1 2   1  72 o 35.969   15.513  0.5167     17.733  -1.3203    22.404  3.5978     29.015  39.210  17.167  45.999  19.841  -6.788422      26.23674 
1 1 1 2   1  73 o 34.401   15.299  -4.1224    18.464  -11.5192   22.900  9.6226     31.216  35.671  16.331  49.388  20.920  -13.71684      26.53999 
1 1 1 2   1  74 o 105.438  14.809  106.121    26.512  98.475     36.576  114.585    38.484  96.662  22.146  104.822 21.739  -8.159843      31.03310 
1 1 1 2   1  75 o 43.495   18.721  4.7102     25.718  91.908     49.804  -26.9956   30.032  87.427  28.454  36.777  17.437  50.65033       33.37148 
1 1 1 2   1  76 o 118.160  17.346  139.333    34.722  146.776    68.680  136.777    40.244  102.757 33.412  113.885 21.012  -11.12885      39.47005 
1 1 1 2   1  77 o 64.723   21.504  45.461     28.391  73.391     53.432  34.472     33.514  76.126  28.997  59.096  22.850  17.02972       36.91830 
1 1 1 2   2  0  o 466.469  14.534  1902.47    118.374 2047.38    167.413 1757.58    167.400 483.602 19.826  447.970 21.401  35.63232       29.17356 
1 1 1 2   2  1  o 348.413  12.637  1060.98    76.876  1094.56    108.720 1027.39    108.719 353.699 17.604  342.163 18.263  11.53635       25.36642 
1 1 1 2   2  2  o 1141.36  31.204  11450.97   621.863 11210.32   879.445 11691.63   879.450 1125.27 44.760  1149.50 43.817  -24.23572      62.63680 
1 1 1 2   2  3  o 348.891  12.506  1063.88    76.183  1036.82    107.736 1090.94    107.743 343.753 18.012  353.115 17.475  -9.361755      25.09588 
1 1 1 2   2  4  o 1340.92  36.574  15847.84   856.338 15597.40   1211.04 16098.29   1211.05 1323.71 52.397  1345.21 51.559  -21.49683      73.51035 
1 1 1 2   2  5  o 1067.73  34.120  10036.75   636.120 10112.19   779.086 9885.86    1101.79 1069.54 41.718  1048.79 60.421  20.74817       73.42422 
1 1 1 2   2  6  o 327.325  13.504  936.635    77.181  1076.34    94.540  657.436    133.647 350.818 15.434  272.141 28.551  78.67639       32.45554 
1 1 1 2   2  7  o 688.186  23.129  4151.09    277.919 4378.02    340.383 3697.24    481.359 706.156 27.606  644.990 42.988  61.16626       51.08886 
1 1 1 2   2  8  f 571.214  24.553  2861.52    244.888 2797.24    346.313 2925.80    346.335 562.305 35.454  575.298 34.639  -12.99304      49.56678 
1 1 1 2   2  9  o 1077.65  42.440  10278.61   798.582 10602.39   1129.36 9954.81    1129.37 1085.74 59.803  1050.90 61.820  34.83228       86.01229 
1 1 1 2   2  10 o 1113.62  43.742  10988.60   850.550 11078.51   1202.85 10898.69   1202.87 1108.16 62.419  1098.80 62.958  9.360474       88.65572 
1 1 1 2   2  11 o 990.882  38.873  8675.36    672.561 8201.92    951.117 9148.86    951.172 955.240 57.289  1010.60 54.100  -55.35565      78.79594 
1 1 1 2   2  12 o 261.392  10.838  597.084    49.467  639.300    69.961  554.878    69.952  269.950 14.900  251.334 16.023  18.61617       21.88071 
1 1 1 2   2  13 o 1163.24  32.061  11915.77   651.203 11724.14   920.938 12107.40   920.944 1148.68 45.917  1167.63 45.172  -18.95215      64.41129 
1 1 1 2   2  14 f 1375.45  37.698  16722.31   905.362 17126.19   1280.38 16318.42   1280.37 1383.69 52.995  1349.84 54.324  33.84790       75.89220 
1 1 1 2   2  15 o 338.042  12.280  999.022    72.482  907.848    102.494 1090.24    102.516 321.457 18.337  352.934 16.636  -31.47736      24.75819 
1 1 1 2   2  16 o 693.242  20.214  4212.18    244.678 4139.93    346.023 4284.43    346.031 685.872 28.893  697.833 28.399  -11.96143      40.51334 
1 1 1 2   2  17 o 872.972  24.666  6694.26    375.978 6890.01    531.717 6498.53    531.708 883.065 34.485  857.300 35.520  25.76520       49.50643 
1 1 1 2   2  18 o 777.715  22.340  5308.95    303.361 5497.83    429.022 5120.09    429.012 789.439 31.124  761.543 32.264  27.89661       44.82916 
1 1 1 2   2  19 o 238.540  10.727  497.437    44.680  514.090    63.190  480.786    63.184  241.881 15.036  233.828 15.565  8.053223       21.64127 
1 1 1 2   2  20 o 104.477  11.103  96.519     19.944  114.243    24.384  60.694     34.666  113.598 12.500  82.035  23.178  31.56328       26.33375 
1 1 1 2   2  21 o 401.284  15.715  1410.66    110.107 1432.29    134.854 1367.41    190.709 404.017 19.116  392.666 27.999  11.35132       33.90234 
1 1 1 2   2  22 o 464.248  17.352  1890.45    140.656 1843.30    172.269 1984.73    243.620 457.844 21.549  472.677 29.668  -14.83261      36.66839 
1 1 1 2   2  23 o 475.828  21.637  1992.55    179.770 2017.02    254.264 1968.08    254.203 475.867 30.766  469.915 31.158  5.951843       43.78747 
1 1 1 2   2  24 o 548.177  24.005  2652.14    229.764 2630.42    324.958 2673.85    324.911 541.784 34.531  546.375 34.230  -4.590698      48.62180 
1 1 1 2   2  25 o 665.675  22.708  3910.16    263.943 3383.44    457.146 4173.54    323.268 609.433 43.241  686.232 26.979  -76.79877      50.96717 
1 1 1 2   2  26 o 174.023  11.394  266.303    34.432  350.177    59.667  224.430    42.159  198.847 17.359  159.176 15.360  39.67114       23.17884 
1 1 1 2   2  27 o 568.463  17.374  2842.45    172.446 2707.53    243.865 2977.38    243.887 552.510 25.278  579.806 24.090  -27.29633      34.91893 
1 1 1 2   2  28 f 638.410  22.065  3604.52    245.965 3627.27    301.250 3559.01    426.008 638.374 27.026  624.665 39.257  13.70959       47.66108 
1 1 1 2   2  29 o 288.333  13.160  729.368    66.255  762.991    81.213  662.460    114.564 294.160 15.871  272.152 24.367  22.00815       29.07932 
1 1 1 2   2  30 o 668.099  22.879  3956.63    266.897 4055.85    326.901 3758.27    462.220 674.015 27.777  638.912 41.661  35.10315       50.07174 
1 1 1 2   2  31 o 502.705  18.412  2228.37    161.610 2387.84    279.922 2148.64    197.929 514.718 31.295  492.254 23.028  22.46423       38.85423 
1 1 1 2   2  32 o 155.937  11.311  214.184    30.588  256.692    52.967  192.915    37.468  169.724 18.155  147.465 14.749  22.25893       23.39090 
1 1 1 2   2  33 o 102.406  11.578  93.056     20.339  123.826    33.801  75.590     25.466  117.444 16.976  91.319  16.582  26.12526       23.73027 
1 1 1 2   2  34 o 324.085  11.653  920.232    65.944  1021.79    93.230  818.545    93.287  341.013 15.657  304.462 17.623  36.55051       23.57405 
1 1 1 2   2  35 o 253.747  12.614  564.312    55.886  584.261    68.600  524.946    96.366  257.507 15.326  242.596 23.026  14.91078       27.65996 
1 1 1 2   2  36 o 833.285  26.732  6159.12    388.939 6221.01    476.376 6035.37    673.591 834.201 32.705  809.731 47.855  24.47076       57.96305 
1 1 1 2   2  37 o 630.078  21.223  3498.67    233.485 3533.08    285.998 3429.91    404.297 631.715 25.929  616.606 37.733  15.10944       45.78315 
1 1 1 2   2  38 o 312.323  13.165  854.607    71.793  847.446    88.060  868.801    123.978 310.299 16.310  312.998 22.843  -2.699036      28.06799 
1 1 1 2   2  39 o 547.063  16.429  2626.82    156.929 2701.32    221.936 2552.32    221.926 553.359 22.970  537.718 23.637  15.64172       32.95930 
1 1 1 2   2  40 o 165.020  9.5386  238.962    27.367  202.788    37.686  279.321    39.806  151.416 14.429  178.116 12.886  -26.69958      19.34559 
1 1 1 2   2  41 o 325.428  13.667  928.008    77.661  828.948    94.496  1134.15    136.316 306.681 17.722  358.072 21.908  -51.39142      28.17893 
1 1 1 2   2  42 o 457.478  20.511  1842.69    163.842 1842.69    163.842 0.0000     0.0000  457.478 20.511  ?       ?       0.000000       20.51121 
1 1 1 2   2  43 o 265.601  15.238  620.854    70.372  620.854    70.372  0.0000     0.0000  265.601 15.238  ?       ?       0.000000       15.23794 
1 1 1 2   2  44 o 618.267  26.410  3387.21    285.108 3251.27    403.151 3523.21    403.257 599.551 38.717  625.080 37.114  -25.52869      53.63273 
1 1 1 2   2  45 o 778.874  25.960  5375.48    353.042 5401.73    611.334 5362.35    432.440 767.727 45.813  774.982 31.957  -7.255798      55.85831 
1 1 1 2   2  46 o 401.587  15.852  1416.12    111.151 1353.93    191.868 1447.53    136.365 389.216 28.429  405.460 19.262  -16.24442      34.33981 
1 1 1 2   2  47 o 336.694  14.568  994.761    85.642  927.217    147.621 1029.03    105.145 322.152 26.478  341.585 17.690  -19.43375      31.84338 
1 1 1 2   2  48 o 786.880  26.208  5499.47    360.081 5495.72    623.412 5501.35    441.101 771.443 46.499  783.592 32.239  -12.14941      56.58200 
1 1 1 2   2  49 f 265.214  13.095  616.883    60.643  547.205    102.959 653.897    75.040  247.322 24.150  272.315 15.851  -24.99309      28.88701 
1 1 1 2   2  50 o 366.843  14.903  1182.24    95.457  1179.50    164.832 1183.63    117.090 363.182 26.168  366.478 18.298  -3.296234      31.93113 
1 1 1 2   2  51 o 493.811  18.551  2150.98    159.953 2327.06    195.783 1797.55    277.382 512.599 21.874  443.826 36.106  68.77350       42.21560 
1 1 1 2   2  52 o 80.997   19.312  60.265     26.927  34.839     33.448  107.094    45.392  66.449  23.310  107.618 24.682  -41.16836      33.94922 
1 1 1 2   2  53 o 138.212  16.059  170.476    38.032  186.278    63.134  161.476    47.648  142.221 26.396  133.397 21.163  8.824066       33.83222 
1 1 1 2   2  54 o 425.645  17.115  1599.36    127.198 1701.51    218.220 1546.80    156.541 433.707 28.983  416.708 21.589  16.99988       36.13977 
1 1 1 2   2  55 o 449.513  17.065  1785.59    133.940 1825.39    230.315 1765.26    164.645 448.239 29.594  445.502 21.166  2.736847       36.38386 
1 1 1 2   2  56 o 35.420   15.944  -10.1967   20.715  -24.7495   27.916  7.6373     30.903  37.704  17.533  51.527  21.242  -13.82308      27.54359 
1 1 1 2   2  57 o 317.995  12.611  890.115    70.020  902.683    98.550  877.302    99.504  318.471 17.794  313.796 18.239  4.674896       25.48114 
1 1 1 2   2  58 o 276.784  14.066  678.321    67.756  629.196    81.462  788.585    122.047 265.466 17.676  294.735 23.922  -29.26926      29.74367 
1 1 1 2   2  59 o 91.970   17.930  77.891     27.759  73.551     32.417  89.824     53.751  88.737  21.210  97.777  29.228  -9.039436      36.11335 
1 1 1 2   2  60 o 198.324  16.725  353.100    57.376  305.755    78.455  407.535    84.125  181.156 25.510  210.591 23.267  -29.43480      34.52658 
1 1 1 2   2  61 f 482.016  22.772  2120.72    191.654 2075.62    269.417 2166.93    272.694 464.470 33.444  475.082 33.080  -10.61295      47.04021 
1 1 1 2   2  62 o 142.765  14.338  183.300    35.258  205.031    61.390  172.604    43.070  147.143 24.774  137.191 18.447  9.951004       30.88800 
1 1 1 2   2  63 o 191.171  17.163  332.070    56.679  406.663    83.747  269.029    76.990  208.381 23.423  166.971 27.355  41.41019       36.01308 
1 1 1 2   2  64 o 61.468   18.534  34.897     21.544  14.858     24.543  102.172    44.970  49.787  19.469  102.152 25.336  -52.36477      31.95199 
1 1 1 2   2  65 o 62.471   18.533  36.445     21.671  30.270     25.582  52.135     40.778  59.168  20.406  75.351  25.773  -16.18297      32.87380 
1 1 1 2   2  66 o 32.003   14.377  -7.0219    16.750  -3.0656    19.044  -20.5401   35.202  36.138  15.824  43.915  20.158  -7.776527      25.62718 
1 1 1 2   2  67 o 95.389   14.516  84.164     23.415  87.320     30.936  79.931     35.828  95.350  19.245  89.802  22.806  5.548225       29.84134 
1 1 1 2   2  68 f 30.307   13.875  -10.1978   16.526  -4.4971    20.205  -21.7203   28.726  36.428  16.112  38.223  17.778  -1.795269      23.99268 
1 1 1 2   2  69 f 71.796   18.955  50.472     24.112  18.745     35.691  77.109     32.703  56.566  23.016  87.810  21.501  -31.24318      31.49703 
1 1 1 2   2  70 o 185.676  13.212  315.860    42.553  244.055    69.703  358.523    53.727  152.139 27.239  195.900 15.843  -43.76169      31.51136 
1 1 1 2   2  71 o 147.617  17.029  207.890    43.088  164.622    54.456  280.333    70.463  124.540 25.887  163.836 25.458  -39.29609      36.30732 
1 1 1 2   2  72 o 78.029   16.584  59.474     21.899  64.371     28.286  52.148     34.598  79.453  20.311  71.111  23.743  8.342300       31.24528 
1 1 1 2   2  73 o 94.966   17.872  89.289     28.548  61.333     48.264  104.333    35.405  75.369  27.799  100.853 20.796  -25.48452      34.71691 
1 1 1 2   2  74 o 66.265   20.042  45.294     25.164  55.646     43.260  40.000     30.936  71.828  26.345  63.072  22.389  8.755966       34.57357 
1 1 1 2   2  75 o 56.463   20.224  30.923     25.296  29.177     45.577  31.701     30.410  60.983  25.523  58.005  21.928  2.977329       33.64908 
1 1 1 2   2  76 o 61.245   17.770  38.611     20.117  22.469     26.942  58.948     30.242  51.754  20.350  73.156  21.937  -21.40261      29.92244 
1 1 1 2   3  0  o 939.810  30.507  7766.68    500.606 7613.25    613.123 8073.52    867.050 928.699 37.810  950.203 52.463  -21.50415      64.66806 
1 1 1 2   3  1  o 1194.74  37.672  12599.34   785.877 12478.49   962.507 12841.04   1361.15 1185.61 46.494  1191.31 65.690  -5.700073      80.47955 
1 1 1 2   3  2  o 571.393  20.032  2859.34    199.856 2858.36    244.781 2861.29    346.138 570.846 24.558  568.712 35.028  2.134033       42.77904 
1 1 1 2   3  3  o 967.163  31.103  8228.82    525.244 8376.73    643.298 7933.01    909.727 974.050 37.824  940.281 55.658  33.76953       67.29404 
1 1 1 2   3  4  o 342.783  14.373  1027.51    86.024  1036.54    105.364 1009.45    148.979 343.696 17.616  338.227 25.412  5.468536       30.92107 
1 1 1 2   3  5  o 259.082  15.672  589.314    70.565  621.023    99.812  557.627    99.776  265.326 21.735  251.154 23.008  14.17174       31.65104 
1 1 1 2   3  6  o 473.481  21.447  1964.58    177.309 2076.73    250.762 1852.44    250.743 485.077 29.750  457.710 31.567  27.36633       43.37724 
1 1 1 2   3  7  o 779.841  25.794  5338.81    351.221 5286.93    608.336 5364.75    430.156 770.325 45.429  780.666 31.557  -10.34027      55.31405 
1 1 1 2   3  8  o 205.514  11.522  370.308    41.178  513.534    71.395  298.915    50.406  241.639 17.030  184.165 15.829  57.47365       23.25065 
1 1 1 2   3  9  f 532.186  16.346  2478.35    151.890 2652.46    214.808 2304.26    214.803 550.008 22.368  512.469 24.005  37.53833       32.81112 
1 1 1 2   3  10 f 371.915  15.037  1210.04    97.650  1263.77    119.604 1102.62    169.113 379.914 18.030  353.116 27.649  26.79779       33.00829 
1 1 1 2   3  11 o 400.351  13.555  1401.69    94.756  1283.20    133.993 1520.22    134.018 382.138 20.153  416.636 18.422  -34.49762      27.30422 
1 1 1 2   3  12 o 1070.98  29.656  10097.98   554.579 10189.03   784.293 10006.93   784.292 1071.34 41.926  1061.56 42.313  9.779053       59.56660 
1 1 1 2   3  13 o 890.689  29.027  6984.21    451.425 6835.65    552.883 7281.33    781.886 879.193 36.015  900.856 49.903  -21.66296      61.54169 
1 1 1 2   3  14 o 323.382  12.167  914.398    68.698  859.155    97.155  969.640    97.153  312.677 17.869  332.353 16.796  -19.67688      24.52391 
1 1 1 2   3  15 o 997.960  27.880  8769.18    485.809 8681.45    687.036 8856.91    687.038 988.613 39.801  998.726 39.398  -10.11304      56.00250 
1 1 1 2   3  16 o 398.836  13.646  1391.79    95.033  1381.83    134.399 1401.74    134.395 396.965 19.390  399.827 19.251  -2.862122      27.32350 
1 1 1 2   3  17 o 741.769  24.876  4841.26    322.184 4791.17    394.597 4941.42    558.029 736.430 30.687  742.428 43.234  -5.998169      53.01769 
1 1 1 2   3  18 o 541.577  19.230  2573.61    181.841 2611.40    222.717 2498.05    314.935 544.879 23.409  529.635 34.238  15.24316       41.47603 
1 1 1 2   3  19 o 529.863  19.030  2464.42    176.066 2450.10    215.637 2493.06    304.954 527.591 23.408  529.037 33.181  -1.446655      40.60674 
1 1 1 2   3  20 o 460.172  17.190  1857.74    138.123 1730.20    169.157 2112.89    239.260 443.434 21.847  487.979 28.201  -44.54495      35.67333 
1 1 1 2   3  21 o 645.633  19.164  3663.37    216.042 3653.50    305.526 3673.25    305.534 642.604 27.230  644.362 27.156  -1.757446      38.45655 
1 1 1 2   3  22 o 147.810  11.162  192.288    28.595  225.126    49.513  175.855    35.026  159.056 18.153  140.909 14.440  18.14682       23.19612 
1 1 1 2   3  23 o 385.388  15.432  1303.29    103.845 1209.43    179.835 1350.24    127.194 368.050 28.198  391.819 18.592  -23.76904      33.77553 
1 1 1 2   3  24 o 299.164  16.792  788.961    87.362  821.265    123.533 756.641    123.563 303.879 23.464  291.357 24.516  12.52213       33.93526 
1 1 1 2   3  25 o 669.236  28.211  3988.87    329.654 3614.14    466.202 4363.59    466.202 627.776 42.786  693.023 38.681  -65.24646      57.67918 
1 1 1 2   3  26 o 140.231  9.5191  172.888    23.170  160.329    32.718  185.523    32.816  134.421 14.153  144.853 13.117  -10.43240      19.29642 
1 1 1 2   3  27 o 401.231  13.627  1412.92    95.466  1469.71    135.048 1356.19    134.970 408.212 18.947  391.462 19.811  16.74945       27.41268 
1 1 1 2   3  28 o 213.104  12.081  399.451    44.767  430.747    54.870  337.140    77.422  221.003 14.296  193.619 23.374  27.38365       27.39887 
1 1 1 2   3  29 o 220.490  15.029  429.249    57.514  427.862    81.217  430.643    81.458  218.851 21.532  219.569 21.524  -0.7173767     30.44552 
1 1 1 2   3  30 o 293.183  13.397  754.425    68.584  865.661    118.786 698.801    83.999  311.930 21.949  281.176 17.192  30.75433       27.88083 
1 1 1 2   3  31 o 189.813  11.801  316.995    38.920  328.720    67.294  311.103    47.708  191.869 20.400  187.635 14.679  4.234146       25.13184 
1 1 1 2   3  32 o 519.059  15.999  2368.47    144.999 2555.89    205.117 2181.27    205.001 537.604 21.851  496.098 23.666  41.50583       32.21118 
1 1 1 2   3  33 o 128.897  9.4146  146.151    21.042  153.451    29.296  138.372    30.243  131.672 12.909  124.789 14.129  6.882896       19.13761 
1 1 1 2   3  34 o 105.914  9.6062  98.951     17.572  84.296     24.494  114.490    25.222  96.891  14.960  113.563 12.951  -16.67224      19.78752 
1 1 1 2   3  35 o 160.975  11.016  227.884    30.778  261.765    37.891  162.177    52.767  172.393 12.677  133.598 23.477  38.79575       26.68130 
1 1 1 2   3  36 o 625.194  21.163  3444.46    231.025 3774.00    282.994 2786.05    400.011 653.282 24.809  553.515 41.695  99.76691       48.51754 
1 1 1 2   3  37 o 492.034  17.425  2126.67    149.707 2268.04    183.410 1844.46    259.142 507.484 20.698  453.537 32.949  53.94690       38.91063 
1 1 1 2   3  38 o 157.677  10.848  218.592    29.684  182.503    35.445  303.341    54.317  143.582 14.329  185.098 16.996  -41.51561      22.23074 
1 1 1 2   3  39 o 471.915  17.637  1956.40    145.325 1968.96    251.289 1950.09    178.136 469.499 30.824  470.409 21.688  -0.9091797     37.68954 
1 1 1 2   3  40 o 261.521  15.453  602.051    70.251  481.520    98.106  728.894    100.642 232.185 24.573  287.068 20.208  -54.88274      31.81434 
1 1 1 2   3  41 o 199.272  15.273  350.362    52.738  340.082    73.029  361.565    76.239  195.235 21.795  201.332 22.048  -6.096298      31.00163 
1 1 1 2   3  42 o 315.396  12.626  871.393    69.534  751.176    84.470  1124.09    122.466 292.005 16.636  356.820 19.733  -64.81540      25.80990 
1 1 1 2   3  43 o 247.850  10.574  537.622    45.760  485.076    63.420  594.688    66.092  234.583 15.572  259.977 14.619  -25.39366      21.35893 
1 1 1 2   3  44 o 609.531  16.800  3264.34    178.801 2903.87    252.405 3627.44    253.322 572.605 25.245  640.876 22.638  -68.27039      33.90868 
1 1 1 2   3  45 o 70.482   12.028  44.729     14.271  16.784     17.193  106.614    25.586  47.052  16.692  109.424 13.691  -62.37247      21.58891 
1 1 1 2   3  46 o 138.696  11.049  169.507    26.536  156.516    36.329  184.365    38.853  132.530 16.025  144.045 15.702  -11.51474      22.43522 
1 1 1 2   3  47 o 485.992  15.604  2074.97    132.415 2111.87    187.054 2037.89    187.472 488.814 21.916  480.055 22.366  8.759583       31.31349 
1 1 1 2   3  48 o 352.793  14.904  1093.17    91.808  1046.77    157.583 1117.01    112.958 342.020 26.596  355.632 18.252  -13.61185      32.25708 
1 1 1 2   3  49 o 26.895   12.688  -17.6275   15.532  -19.9445   21.556  -15.1259   22.399  33.003  15.367  35.446  16.200  -2.443012      22.32911 
1 1 1 2   3  50 o 474.580  21.962  1995.44    181.990 1977.77    256.360 2013.39    258.397 467.889 31.564  472.118 31.527  -4.229279      44.61185 
1 1 1 2   3  51 o 317.877  18.303  894.759    101.160 940.287    142.606 848.645    143.522 323.815 25.426  306.995 27.051  16.81995       37.12495 
1 1 1 2   3  52 o 344.160  15.370  1042.77    92.360  1100.12    158.405 1013.22    113.684 349.858 26.119  337.898 19.349  11.95978       32.50529 
1 1 1 2   3  53 o 493.309  18.562  2152.88    159.889 2710.28    277.214 1875.02    195.725 547.583 29.098  457.498 24.592  90.08481       38.09787 
1 1 1 2   3  54 o 218.851  12.094  422.001    46.036  389.540    64.070  456.646    66.191  209.126 17.713  226.741 16.839  -17.61552      24.43968 
1 1 1 2   3  55 o 284.515  12.084  711.563    60.032  676.373    84.384  747.622    85.422  275.800 17.615  290.211 16.931  -14.41046      24.43233 
1 1 1 2   3  56 o 63.645   18.432  36.761     21.662  49.892     29.633  21.691     31.745  73.957  21.598  58.484  22.334  15.47342       31.06869 
1 1 1 2   3  57 o 395.187  14.021  1379.35    96.751  1382.25    136.358 1376.42    137.298 392.821 19.946  391.896 20.133  0.9245300      28.34007 
1 1 1 2   3  58 o 104.322  14.023  97.927     24.896  97.684     34.367  98.195     36.114  102.787 19.868  102.826 20.828  -0.3937531E-01 28.78447 
1 1 1 2   3  59 o 189.463  13.448  319.285    44.198  311.807    53.729  334.937    77.731  186.294 16.695  190.429 23.904  -4.135391      29.15692 
1 1 1 2   3  60 o 196.798  13.343  344.902    45.580  339.387    55.920  355.820    78.675  194.154 16.657  196.020 23.452  -1.865768      28.76521 
1 1 1 2   3  61 o 131.352  18.463  158.451    41.177  158.451    41.177  0.0000     0.0000  131.352 18.463  ?       ?       0.000000       18.46343 
1 1 1 2   3  62 f 295.400  14.255  779.332    73.528  808.577    90.346  721.962    126.540 298.806 17.392  275.767 26.610  23.03964       31.78953 
1 1 1 2   3  63 o 130.484  15.436  155.088    34.486  176.353    42.487  114.022    59.042  138.265 18.028  106.424 30.311  31.84117       35.26675 
1 1 1 2   3  64 o 123.587  13.002  137.989    27.636  166.385    39.620  111.080    38.569  134.212 17.310  107.742 21.257  26.47022       27.41319 
1 1 1 2   3  65 o 188.886  13.459  322.156    44.100  355.807    54.595  258.973    74.809  197.236 15.990  161.029 27.599  36.20723       31.89696 
1 1 1 2   3  66 o 100.138  21.720  98.113     36.885  144.412    53.626  56.541     50.814  119.356 26.429  78.314  28.578  41.04185       38.92593 
1 1 1 2   3  67 o 117.576  15.590  128.557    31.217  161.564    57.814  114.974    37.088  125.047 27.249  108.888 20.252  16.15874       33.95074 
1 1 1 2   3  68 o 136.317  15.489  172.960    36.213  253.035    67.643  140.790    42.875  157.802 25.412  119.617 21.309  38.18510       33.16433 
1 1 1 2   3  69 o 39.743   17.972  -10.0083   26.673  -17.0579   35.834  -1.2501    39.941  44.413  20.369  51.446  22.708  -7.033623      30.50519 
1 1 1 2   3  70 o 48.542   19.924  12.219     27.036  22.214     38.900  2.8795     37.604  58.577  23.954  51.063  22.301  7.513992       32.72779 
1 1 1 2   3  71 o 28.408   14.109  -60.0471   26.960  0.0000     0.0000  -60.0471   26.960  ?       ?       28.408  14.109  0.000000       14.10883 
1 1 1 2   3  72 o 92.273   22.683  90.066     36.289  0.0000     0.0000  90.066     36.289  ?       ?       92.273  22.683  0.000000       22.68327 
1 1 1 2   3  73 f 78.793   19.657  64.042     26.954  120.743    44.691  31.623     33.792  104.699 24.824  59.407  22.952  45.29208       33.80800 
1 1 1 2   3  74 o 46.235   17.783  16.903     20.216  28.123     29.258  6.6511     27.966  55.926  21.421  45.547  19.561  10.37846       29.00849 
1 1 1 2   3  75 o 52.460   19.417  25.587     23.588  22.593     29.007  31.431     40.531  52.615  20.980  59.802  24.452  -7.187351      32.21877 
1 1 1 2   4  0  o 420.815  14.098  1548.94    103.588 1576.81    146.505 1521.06    146.487 424.199 19.780  416.603 20.138  7.595154       28.22714 
1 1 1 2   4  1  o 771.306  25.143  5225.14    338.622 5866.52    586.575 4904.55    414.703 812.081 41.506  745.922 31.841  66.15887       52.31250 
1 1 1 2   4  2  o 488.965  17.651  2093.57    150.696 2376.59    261.070 1952.15    184.544 518.875 28.931  471.731 22.405  47.14389       36.59217 
1 1 1 2   4  3  o 950.494  30.604  7959.35    507.920 8227.30    879.773 7825.39    622.062 956.470 52.884  940.198 37.892  16.27228       65.05826 
1 1 1 2   4  4  o 1307.67  41.014  15176.76   936.472 17104.19   1622.07 14213.13   1146.92 1368.93 67.862  1259.13 52.167  109.7935       85.59607 
1 1 1 2   4  5  o 615.037  21.153  3317.26    227.159 3406.00    393.466 3272.89    278.206 619.437 36.541  610.197 26.112  9.240051       44.91134 
1 1 1 2   4  6  o 513.582  16.018  2308.82    143.641 2362.72    203.140 2254.93    203.139 518.891 22.421  506.853 22.953  12.03738       32.08685 
1 1 1 2   4  7  o 527.302  16.347  2434.26    150.506 2469.97    212.848 2398.55    212.846 530.432 22.982  522.664 23.323  7.767639       32.74293 
1 1 1 2   4  8  o 850.081  23.651  6347.05    351.058 6677.25    496.478 6016.87    496.465 869.534 32.700  824.893 34.469  44.64142       47.51223 
1 1 1 2   4  9  f 917.916  25.740  7410.35    412.551 7299.63    583.432 7521.07    583.438 907.555 36.818  921.422 36.264  -13.86792      51.67780 
1 1 1 2   4  10 o 525.101  16.076  2414.47    147.392 2379.63    208.442 2449.32    208.444 520.490 22.936  528.102 22.605  -7.611877      32.20310 
1 1 1 2   4  11 o 696.239  20.297  4253.27    246.749 4385.00    348.961 4121.55    348.950 705.270 28.337  683.541 29.237  21.72852       40.71634 
1 1 1 2   4  12 o 216.073  10.383  408.165    39.172  410.591    55.419  405.742    55.375  216.060 14.779  214.766 14.858  1.293716       20.95653 
1 1 1 2   4  13 o 225.055  10.501  442.852    41.264  455.958    58.363  429.751    58.349  227.722 14.757  221.001 15.214  6.720901       21.19512 
1 1 1 2   4  14 o 495.125  18.109  2150.39    156.560 2113.45    191.746 2224.26    271.171 490.242 22.400  500.314 31.197  -10.07214      38.40567 
1 1 1 2   4  15 o 269.929  12.972  637.788    61.140  645.016    74.873  623.322    105.922 270.813 15.904  265.111 23.113  5.702148       28.05618 
1 1 1 2   4  16 o 108.810  9.6493  104.338    18.143  84.440     22.124  145.194    31.702  97.297  13.376  127.931 14.445  -30.63417      19.68720 
1 1 1 2   4  17 o 451.771  16.904  1791.12    133.344 1662.30    163.298 2048.91    231.000 434.523 21.523  480.345 27.659  -45.82190      35.04652 
1 1 1 2   4  18 o 419.530  16.184  1544.47    118.555 1503.59    145.197 1626.22    205.349 413.368 20.117  427.553 27.655  -14.18509      34.19763 
1 1 1 2   4  19 o 70.233   10.878  44.183     12.909  24.916     22.159  54.081     15.882  55.583  18.999  77.672  12.105  -22.08847      22.52761 
1 1 1 2   4  20 o 582.023  20.264  2984.97    205.930 3077.78    356.703 2938.57    252.203 584.667 35.104  576.072 25.073  8.595337       43.13848 
1 1 1 2   4  21 o 220.804  11.991  428.383    46.057  300.074    79.712  492.683    56.429  182.216 25.773  236.623 13.717  -54.40691      29.19576 
1 1 1 2   4  22 o 94.540   10.889  79.298     17.647  57.894     30.404  90.171     21.670  79.613  21.408  100.645 12.608  -21.03138      24.84464 
1 1 1 2   4  23 o 146.211  20.149  192.140    50.072  192.140    50.072  0.0000     0.0000  146.211 20.149  ?       ?       0.000000       20.14851 
1 1 1 2   4  24 o 753.917  25.265  5053.92    332.584 5077.28    407.356 5007.21    575.978 752.206 31.015  734.854 45.107  17.35223       54.74134 
1 1 1 2   4  25 o 508.923  15.685  2277.86    139.377 2205.37    197.148 2350.30    197.070 498.785 22.637  515.161 21.909  -16.37564      31.50261 
1 1 1 2   4  26 o 347.008  14.642  1058.15    88.717  1200.04    153.652 987.182    108.659 366.754 24.129  333.979 18.708  32.77588       30.53183 
1 1 1 2   4  27 o 459.224  17.236  1857.75    138.206 1785.20    239.299 1894.06    169.295 444.755 31.009  462.701 20.955  -17.94592      37.42509 
1 1 1 2   4  28 o 340.464  14.511  1018.28    86.262  1088.61    149.348 983.072    105.670 349.175 24.654  333.452 18.218  15.72379       30.65517 
1 1 1 2   4  29 o 257.725  12.974  584.115    58.196  678.342    100.735 536.913    71.298  276.242 21.043  246.470 16.665  29.77205       26.84277 
1 1 1 2   4  30 o 327.927  13.696  943.614    78.424  971.246    96.155  888.714    135.536 332.303 16.572  315.502 24.803  16.80032       29.82993 
1 1 1 2   4  31 o 725.800  24.098  4667.39    305.397 4825.84    374.053 4350.58    528.910 735.541 29.125  687.663 44.285  47.87756       53.00414 
1 1 1 2   4  32 o 145.426  14.584  187.393    36.534  187.393    36.534  0.0000     0.0000  145.426 14.584  ?       ?       0.000000       14.58434 
1 1 1 2   4  33 o 557.114  16.983  2727.01    165.206 2806.50    233.624 2647.50    233.648 563.470 23.746  547.070 24.460  16.40027       34.09030 
1 1 1 2   4  34 o 366.940  18.669  1187.22    119.217 1312.57    168.583 1061.82    168.614 384.344 25.261  344.728 28.261  39.61572       37.90554 
1 1 1 2   4  35 o 253.595  22.730  571.855    99.580  571.855    99.580  0.0000     0.0000  253.595 22.730  ?       ?       0.000000       22.73020 
1 1 1 2   4  36 o 490.049  31.974  2149.08    272.088 2149.08    272.088 0.0000     0.0000  490.049 31.974  ?       ?       0.000000       31.97371 
1 1 1 2   4  37 o 816.364  32.293  5942.42    460.320 5942.42    460.320 0.0000     0.0000  816.364 32.293  ?       ?       0.000000       32.29335 
1 1 1 2   4  38 o 366.994  17.824  1183.55    114.218 1183.55    114.218 0.0000     0.0000  366.994 17.824  ?       ?       0.000000       17.82433 
1 1 1 2   4  39 o 547.511  19.055  2637.05    182.162 2695.03    223.072 2520.98    315.602 552.510 23.123  529.831 34.299  22.67926       41.36491 
1 1 1 2   4  40 o 373.080  14.728  1220.86    95.940  1250.73    117.345 1160.63    166.620 377.210 17.816  360.923 26.627  16.28690       32.03806 
1 1 1 2   4  41 o 216.392  10.075  409.727    38.068  335.517    53.088  488.280    54.619  194.878 15.736  235.655 13.329  -40.77773      20.62200 
1 1 1 2   4  42 o 450.973  14.238  1783.82    112.112 1712.25    158.201 1856.03    158.900 440.728 20.558  459.013 19.826  -18.28528      28.56041 
1 1 1 2   4  43 o 128.708  10.463  145.953    23.310  133.822    30.908  161.951    35.496  122.625 14.730  134.968 15.334  -12.34312      21.26314 
1 1 1 2   4  44 o 202.707  9.6271  359.556    34.074  268.537    46.499  465.121    50.077  174.196 15.448  230.034 12.515  -55.83784      19.88102 
1 1 1 2   4  45 o 100.089  12.354  89.121     21.132  89.050     24.051  89.362     44.255  99.749  14.211  98.519  25.521  1.230042       29.21078 
1 1 1 2   4  46 o 165.195  12.577  240.639    36.005  236.926    43.156  249.145    65.312  163.517 15.293  166.204 23.132  -2.687607      27.73047 
1 1 1 2   4  47 o 105.979  11.823  99.657     21.506  79.257     28.865  125.110    32.242  93.243  18.383  118.220 16.033  -24.97671      24.39238 
1 1 1 2   4  48 o 74.235   27.518  38.762     47.411  0.0000     0.0000  38.762     47.411  ?       ?       74.235  27.518  0.000000       27.51807 
1 1 1 2   4  49 o 97.227   30.108  84.980     56.366  0.0000     0.0000  84.980     56.366  ?       ?       97.227  30.108  0.000000       30.10822 
1 1 1 2   4  50 o 171.666  27.481  270.071    79.594  0.0000     0.0000  270.071    79.594  ?       ?       171.666 27.481  0.000000       27.48141 
1 1 1 2   4  51 o 328.737  19.692  960.515    112.509 1173.80    156.210 730.616    162.180 361.683 24.887  281.608 33.649  80.07471       41.85262 
1 1 1 2   4  52 o ?        ?       -82.4996   18.976  -121.1488  23.698  -13.4306   31.680  ?       ?       44.387  19.868  0.000000       19.86846 
1 1 1 2   4  53 o 106.940  16.674  103.403    30.120  89.359     34.440  149.080    62.111  98.451  20.692  125.964 28.859  -27.51314      35.51039 
1 1 1 2   4  54 o 359.539  13.085  1138.21    82.146  1092.75    115.466 1184.80    116.892 350.175 18.955  364.873 18.407  -14.69769      26.42183 
1 1 1 2   4  55 o 491.835  15.621  2140.68    134.153 2079.15    189.314 2202.74    190.130 481.233 22.530  495.666 21.968  -14.43304      31.46780 
1 1 1 2   4  56 o 127.738  12.416  145.157    27.343  118.110    37.523  175.781    39.926  113.421 19.659  139.730 16.695  -26.30872      25.79196 
1 1 1 2   4  57 o 97.092   13.867  85.044     22.841  67.126     31.118  105.975    33.631  84.717  21.112  107.420 18.605  -22.70313      28.14007 
1 1 1 2   4  58 o 20.705   10.217  -29.1840   13.323  -66.5591   17.554  21.601     20.463  ?       ?       51.934  18.231  0.000000       18.23121 
1 1 1 2   4  59 o 333.460  17.534  1000.94    101.731 1000.94    101.731 0.0000     0.0000  333.460 17.534  ?       ?       0.000000       17.53370 
1 1 1 2   4  60 o 186.905  15.722  314.936    50.831  314.936    50.831  0.0000     0.0000  186.905 15.722  ?       ?       0.000000       15.72175 
1 1 1 2   4  61 o 72.652   20.846  49.730     27.824  49.730     27.824  0.0000     0.0000  72.652  20.846  ?       ?       0.000000       20.84619 
1 1 1 2   4  62 o 112.878  14.721  116.208    28.323  104.886    33.770  143.065    52.012  105.684 18.998  121.003 25.425  -15.31887      31.73935 
1 1 1 2   4  63 o 34.791   15.005  -0.8236    16.590  4.3207     22.511  -6.9383    24.543  42.750  17.918  39.719  17.653  3.031185       25.15278 
1 1 1 2   4  64 o 123.411  12.470  137.749    26.503  113.959    35.986  165.947    39.178  109.392 19.558  133.626 17.190  -24.23342      26.03875 
1 1 1 2   4  65 o 203.385  11.530  371.379    40.776  361.680    57.197  381.403    58.146  197.740 16.723  203.219 16.530  -5.478897      23.51369 
1 1 1 2   4  66 o 29.929   13.955  -15.2562   17.872  -25.8584   25.629  -5.2217    24.934  34.428  16.259  40.288  17.854  -5.859303      24.14802 
1 1 1 2   4  67 f 98.758   14.457  90.941     24.191  82.345     34.857  98.930     33.601  90.328  22.247  100.477 19.856  -10.14915      29.81952 
1 1 1 2   4  68 o 49.351   18.111  19.948     20.449  -14.8747   30.121  49.720     27.851  40.866  18.717  70.521  21.030  -29.65480      28.15330 
1 1 1 2   4  69 f 159.588  14.548  237.571    40.094  297.666    70.421  208.747    48.771  169.626 24.485  145.800 19.659  23.82533       31.40060 
1 1 1 2   4  70 o 133.708  18.615  175.393    42.280  0.0000     0.0000  175.393    42.280  ?       ?       133.708 18.615  0.000000       18.61477 
1 1 1 2   4  71 o 56.997   22.046  27.524     31.206  0.0000     0.0000  27.524     31.206  ?       ?       56.997  22.046  0.000000       22.04585 
1 1 1 2   4  72 o 83.413   22.802  75.341     34.160  0.0000     0.0000  75.341     34.160  ?       ?       83.413  22.802  0.000000       22.80190 
1 1 1 2   4  73 o 89.128   23.620  88.415     37.349  0.0000     0.0000  88.415     37.349  ?       ?       89.128  23.620  0.000000       23.61966 
1 1 1 2   4  74 o 118.776  15.924  138.925    32.193  160.719    40.594  101.985    52.850  124.801 19.247  88.858  29.330  35.94313       35.08150 
1 1 1 2   5  0  o 450.664  16.637  1779.99    130.913 1733.39    160.352 1873.15    226.704 444.259 20.672  459.769 28.378  -15.51047      35.10899 
1 1 1 2   5  1  o 733.370  24.798  4736.18    317.547 4706.39    388.924 4795.76    549.978 729.443 30.536  730.378 43.319  -0.9350586     52.99982 
1 1 1 2   5  2  o 513.345  16.192  2309.26    145.139 2277.91    205.262 2340.61    205.255 508.867 23.101  515.877 22.787  -7.009460      32.44874 
1 1 1 2   5  3  o 178.670  9.9893  279.970    31.039  253.247    43.894  306.696    43.897  169.384 14.996  186.693 13.559  -17.30942      20.21708 
1 1 1 2   5  4  o 652.650  19.330  3739.35    220.285 3604.38    311.524 3874.34    311.536 638.849 27.927  662.609 26.927  -23.75909      38.79440 
1 1 1 2   5  5  o 463.856  14.884  1884.79    120.551 1719.04    170.467 2050.62    170.505 442.097 22.083  483.146 20.211  -41.04858      29.93589 
1 1 1 2   5  6  o 522.996  16.283  2397.94    148.692 2491.83    210.288 2304.06    210.275 532.106 22.634  511.497 23.544  20.60941       32.65891 
1 1 1 2   5  7  o 186.484  9.6469  304.884    31.304  325.865    44.267  283.896    44.275  192.468 13.253  179.471 14.246  12.99783       19.45726 
1 1 1 2   5  8  o 464.247  14.877  1888.65    120.596 2007.53    170.555 1769.79    170.543 477.845 20.442  448.448 21.780  29.39700       29.87019 
1 1 1 2   5  9  o 171.741  9.8790  258.794    29.500  239.361    41.707  278.249    41.731  164.625 14.663  177.727 13.550  -13.10205      19.96471 
1 1 1 2   5  10 o 480.476  15.287  2024.16    128.247 1890.71    181.352 2157.66    181.386 463.225 22.422  495.130 20.981  -31.90549      30.70705 
1 1 1 2   5  11 o 146.232  10.882  188.142    27.587  154.059    33.777  256.427    47.809  131.720 14.951  170.180 16.288  -38.46056      22.10963 
1 1 1 2   5  12 o 51.540   13.484  24.128     12.275  3.7278     17.412  44.283     17.307  38.658  15.942  69.770  14.672  -31.11203      21.66562 
1 1 1 2   5  13 o 254.329  22.449  575.024    98.666  0.0000     0.0000  575.024    98.666  ?       ?       254.329 22.449  0.000000       22.44862 
1 1 1 2   5  14 o 188.354  14.367  312.944    46.893  0.0000     0.0000  312.944    46.893  ?       ?       188.354 14.367  0.000000       14.36678 
1 1 1 2   5  15 o 403.139  15.859  1427.33    111.635 1249.80    193.336 1516.12    136.731 373.298 29.913  414.978 18.870  -41.68054      35.36762 
1 1 1 2   5  16 o 612.778  21.262  3315.29    227.493 3447.57    394.059 3249.17    278.611 617.089 36.738  604.814 26.382  12.27515       45.22986 
1 1 1 2   5  17 o 238.790  12.435  501.176    51.669  586.963    89.539  458.349    63.265  257.170 20.100  227.814 16.006  29.35603       25.69441 
1 1 1 2   5  18 o 519.466  18.824  2378.86    170.734 2281.25    295.728 2427.66    209.104 502.234 33.922  523.562 22.873  -21.32770      40.91294 
1 1 1 2   5  19 o 328.053  14.176  944.994    81.202  971.176    140.691 931.916    99.436  329.793 24.609  324.806 17.599  4.987030       30.25453 
1 1 1 2   5  20 o 661.287  22.635  3876.30    261.355 3463.96    452.650 4082.52    320.104 612.250 42.608  676.438 27.102  -64.18890      50.49667 
1 1 1 2   5  21 o 327.546  12.264  940.982    70.142  984.967    99.250  897.093    99.141  333.969 17.077  318.501 17.900  15.46762       24.73923 
1 1 1 2   5  22 o 184.572  9.8456  299.159    31.616  349.277    44.862  249.708    44.562  199.079 12.977  167.815 15.379  31.26370       20.12253 
1 1 1 2   5  23 o 415.589  16.148  1520.12    117.179 1687.75    202.954 1436.30    143.516 434.029 26.913  402.479 20.490  31.54944       33.82512 
1 1 1 2   5  24 o 558.989  19.893  2761.04    194.167 3030.23    336.293 2626.43    237.810 578.451 33.438  543.282 25.069  35.16876       41.79229 
1 1 1 2   5  25 o 159.723  13.856  225.642    38.261  276.463    54.204  175.175    54.015  176.245 17.860  138.793 23.101  37.45241       29.20004 
1 1 1 2   5  26 o 525.239  22.604  2443.66    207.300 2443.66    207.300 0.0000     0.0000  525.239 22.604  ?       ?       0.000000       22.60372 
1 1 1 2   5  27 o 260.633  15.950  599.349    72.237  599.349    72.237  0.0000     0.0000  260.633 15.950  ?       ?       0.000000       15.95004 
1 1 1 2   5  28 o 447.832  20.529  1769.92    160.529 1885.82    227.252 1654.48    226.794 459.163 28.486  429.225 30.459  29.93802       41.70335 
1 1 1 2   5  29 o 326.893  17.137  942.001    97.473  1019.06    138.261 865.854    137.439 338.629 23.530  311.517 25.491  27.11224       34.69053 
1 1 1 2   5  30 o 482.085  22.129  2051.52    186.273 1992.35    263.698 2110.44    263.164 471.166 32.247  485.397 31.216  -14.23074      44.88096 
1 1 1 2   5  31 o 121.326  15.032  131.092    31.162  98.708     43.888  164.020    44.255  103.603 24.623  135.189 19.296  -31.58591      31.28323 
1 1 1 2   5  32 o 391.979  12.935  1346.19    88.528  1413.27    125.156 1279.02    125.241 400.977 17.876  381.320 18.810  19.65765       25.94937 
1 1 1 2   5  33 o 190.380  11.250  318.375    37.231  272.875    44.685  421.669    67.327  175.788 14.693  218.329 17.816  -42.54097      23.09343 
1 1 1 2   5  34 o 669.739  20.957  3952.13    245.080 3718.40    299.974 4421.35    425.018 647.856 26.518  702.845 34.633  -54.98926      43.61914 
1 1 1 2   5  35 o 429.482  18.980  1622.58    142.334 1622.58    142.334 0.0000     0.0000  429.482 18.980  ?       ?       0.000000       18.98018 
1 1 1 2   5  36 o 191.521  14.089  323.309    46.783  323.309    46.783  0.0000     0.0000  191.521 14.089  ?       ?       0.000000       14.08862 
1 1 1 2   5  37 o 253.323  14.757  564.797    64.989  564.797    64.989  0.0000     0.0000  253.323 14.757  ?       ?       0.000000       14.75652 
1 1 1 2   5  38 o 280.069  10.686  686.554    52.259  645.700    73.100  729.260    74.738  270.788 15.525  287.920 14.918  -17.13232      21.53081 
1 1 1 2   5  39 o 590.934  15.964  3066.64    164.719 2676.22    232.595 3459.43    233.303 549.944 24.222  626.199 21.338  -76.25446      32.28031 
1 1 1 2   5  40 o 480.058  14.171  2021.59    118.780 1922.05    167.704 2121.79    168.258 466.862 20.573  490.738 19.637  -23.87659      28.43994 
1 1 1 2   5  41 f 34.113   12.865  7.3617     10.451  7.2476     12.365  7.6472     19.557  35.933  13.883  42.856  17.179  -6.923107      22.08755 
1 1 1 2   5  42 o 274.502  12.538  660.501    60.097  553.101    101.898 717.784    74.418  248.827 23.741  285.528 14.979  -36.70100      28.07174 
1 1 1 2   5  43 o 457.745  13.719  1838.50    109.648 1600.95    154.372 2080.38    155.770 425.774 20.765  485.963 18.358  -60.18881      27.71597 
1 1 1 2   5  44 o 243.649  10.497  519.880    44.659  450.633    61.936  594.869    64.454  225.861 15.805  259.907 14.257  -34.04590      21.28494 
1 1 1 2   5  45 o 251.949  11.055  556.192    48.635  491.790    67.729  624.752    69.881  235.822 16.553  266.194 15.097  -30.37125      22.40392 
1 1 1 2   5  46 o 348.311  14.670  1066.31    89.218  1108.34    153.732 1044.97    109.555 351.980 25.180  343.692 18.322  8.287323       31.14058 
1 1 1 2   5  47 o 191.332  16.358  324.742    54.123  0.0000     0.0000  324.742    54.123  ?       ?       191.332 16.358  0.000000       16.35794 
1 1 1 2   5  48 o 354.380  18.316  1112.39    112.947 0.0000     0.0000  1112.39    112.947 ?       ?       354.380 18.316  0.000000       18.31596 
1 1 1 2   5  49 o 694.504  22.708  4294.46    275.369 3815.73    475.704 4535.73    337.702 637.712 42.972  710.740 27.212  -73.02783      50.86361 
1 1 1 2   5  50 o 141.193  15.699  177.928    38.047  -43.8846   57.311  352.730    50.876  55.036  25.428  199.579 14.703  -144.5430      29.37304 
1 1 1 2   5  51 o 371.174  13.154  1212.27    85.250  1180.03    119.279 1245.94    121.885 364.254 18.818  374.822 18.624  -10.56778      26.47585 
1 1 1 2   5  52 o 338.155  12.425  1006.06    73.363  992.555    102.479 1020.25    105.072 334.135 17.628  338.707 17.829  -4.572113      25.07216 
1 1 1 2   5  53 o 134.586  12.235  160.738    28.437  120.738    38.008  211.602    42.860  114.855 19.659  153.745 16.210  -38.89027      25.48032 
1 1 1 2   5  54 o 326.067  12.491  937.324    71.117  941.845    99.735  932.647    101.436 324.832 17.651  323.075 18.054  1.756866       25.24836 
1 1 1 2   5  55 o 112.366  13.191  113.064    25.389  93.244     34.781  135.672    37.147  100.135 20.581  122.055 17.968  -21.91977      27.32038 
1 1 1 2   5  56 o 107.793  14.722  105.013    26.985  117.383    32.781  79.009     47.530  113.457 17.077  91.587  27.509  21.87006       32.37855 
1 1 1 2   5  57 o 197.058  12.725  345.387    43.549  337.015    53.001  362.784    76.404  193.679 15.811  198.245 22.469  -4.565979      27.47440 
1 1 1 2   5  58 o 122.763  14.155  135.954    29.787  134.257    35.895  139.705    53.380  120.981 17.501  120.290 26.160  0.6904907      31.47401 
1 1 1 2   5  59 o 141.600  16.589  182.853    40.239  182.853    40.239  0.0000     0.0000  141.600 16.589  ?       ?       0.000000       16.58939 
1 1 1 2   5  60 o 202.023  13.237  365.935    46.436  306.983    54.752  517.006    87.648  183.234 17.319  235.486 21.556  -52.25162      27.65095 
1 1 1 2   5  61 o 159.641  13.609  230.072    37.571  206.296    43.580  298.902    74.150  149.744 16.967  175.973 24.822  -26.22821      30.06672 
1 1 1 2   5  62 o 43.386   17.398  9.4303     20.069  5.1683     22.388  26.865     45.282  42.962  17.927  65.236  26.144  -22.27396      31.69933 
1 1 1 2   5  63 o 119.066  13.094  129.070    26.772  134.041    36.133  123.019    39.864  119.343 17.891  112.746 21.023  6.596748       27.60575 
1 1 1 2   5  64 o 45.830   17.137  15.618     18.466  18.935     23.439  10.191     29.981  50.702  19.231  50.190  20.827  0.5118866      28.34799 
1 1 1 2   5  65 o 44.965   17.341  13.762     19.263  13.888     24.420  13.554     31.342  48.266  19.248  52.154  21.434  -3.887962      28.80823 
1 1 1 2   5  66 o 65.825   18.204  42.381     21.626  38.074     27.798  48.986     34.421  63.190  21.281  70.409  23.681  -7.219719      31.83857 
1 1 1 2   5  67 o 144.165  15.306  195.148    37.940  213.903    63.455  184.712    47.333  141.802 26.606  136.620 20.473  5.181946       33.57055 
1 1 1 2   5  68 o 49.410   19.480  17.086     24.748  -8.9330    36.213  39.885     33.899  46.328  20.946  64.485  23.371  -18.15709      31.38345 
1 1 1 2   5  69 o 114.852  17.162  128.502    33.362  155.687    55.362  113.001    41.805  117.765 27.434  102.841 23.759  14.92419       36.29183 
1 1 1 2   5  70 o 67.615   17.568  46.025     20.929  31.895     27.215  66.478     32.743  57.920  20.948  78.647  22.627  -20.72684      30.83547 
1 1 1 2   5  71 o 73.376   19.856  56.384     26.058  29.383     38.394  79.443     35.481  59.196  23.949  84.918  23.249  -25.72164      33.37806 
1 1 1 2   5  72 o 47.422   20.571  7.2137     31.546  0.0000     0.0000  7.2137     31.546  ?       ?       47.422  20.571  0.000000       20.57109 
1 1 1 2   5  73 o 54.814   22.221  25.498     33.124  0.0000     0.0000  25.498     33.124  ?       ?       54.814  22.221  0.000000       22.22125 
1 1 1 2   6  0  o 71.130   10.435  45.222     12.575  45.222     12.575  0.0000     0.0000  71.130  10.435  ?       ?       0.000000       10.43526 
1 1 1 2   6  1  o 565.849  19.549  2820.86    193.144 2932.52    236.578 2597.70    334.460 575.770 23.532  536.175 35.933  39.59503       42.95298 
1 1 1 2   6  2  o 127.133  10.861  142.534    23.877  143.464    29.265  140.682    41.297  127.224 13.374  124.906 19.579  2.317558       23.71072 
1 1 1 2   6  3  o 291.323  11.400  743.294    57.987  796.840    82.032  689.815    81.980  300.810 15.672  279.624 16.870  21.18631       23.02636 
1 1 1 2   6  4  o 323.940  12.228  919.532    69.166  913.436    97.818  925.629    97.814  321.782 17.475  323.952 17.356  -2.170563      24.62926 
1 1 1 2   6  5  o 504.453  15.595  2235.26    137.362 2402.38    194.281 2068.22    194.236 521.590 21.332  483.510 23.007  38.08005       31.37514 
1 1 1 2   6  6  o 604.707  26.053  3248.27    275.081 3484.55    389.009 3011.96    389.036 620.512 36.060  575.050 38.976  45.46228       53.09819 
1 1 1 2   6  7  o 322.598  17.219  918.186    96.642  815.171    136.636 1021.31    136.709 301.786 26.190  338.867 23.245  -37.08099      35.01786 
1 1 1 2   6  8  o 165.765  13.958  242.833    40.024  227.957    56.551  257.763    56.655  159.360 20.821  169.892 19.449  -10.53206      28.49179 
1 1 1 2   6  9  o 152.457  13.857  205.649    36.485  192.656    51.590  218.649    51.604  146.278 20.783  156.305 19.319  -10.02708      28.37585 
1 1 1 2   6  10 o 291.989  11.417  747.078    58.205  771.510    82.324  722.656    82.306  295.779 16.000  286.133 16.545  9.646637       23.01558 
1 1 1 2   6  11 o 157.704  9.5817  218.506    26.260  194.942    37.124  242.103    37.149  148.278 14.526  165.625 12.949  -17.34689      19.45923 
1 1 1 2   6  12 o 193.045  10.152  327.246    34.098  358.164    48.218  296.317    48.225  201.512 13.787  182.978 15.233  18.53391       20.54525 
1 1 1 2   6  13 o 289.281  11.407  733.493    57.617  702.517    81.452  764.517    81.514  282.003 16.615  294.363 15.919  -12.35986      23.01012 
1 1 1 2   6  14 o 615.265  18.450  3340.01    198.213 3343.48    280.312 3336.54    280.319 612.312 26.218  611.662 26.247  0.6500244      37.09855 
1 1 1 2   6  15 o 469.819  15.124  1941.01    124.065 1897.53    175.439 1984.50    175.469 462.765 21.712  473.405 21.228  -10.64020      30.36509 
1 1 1 2   6  16 o 206.173  10.242  372.348    36.870  408.585    52.137  336.099    52.146  215.222 13.949  194.868 15.452  20.35393       20.81694 
1 1 1 2   6  17 o 262.740  11.306  605.139    51.867  585.371    73.454  624.796    73.247  257.322 16.434  265.992 15.843  -8.670288      22.82716 
1 1 1 2   6  18 o 90.263   9.6801  72.155     15.018  74.553     21.576  69.901     20.917  91.087  14.015  88.129  14.066  2.958214       19.85683 
1 1 1 2   6  19 o 693.680  29.124  4311.61    352.759 4760.17    498.888 3863.09    498.865 719.937 39.842  644.327 44.616  75.61005       59.81633 
1 1 1 2   6  20 o 589.671  25.507  3095.22    262.618 3307.01    371.406 2883.44    371.390 603.235 35.417  561.406 38.113  41.82874       52.02821 
1 1 1 2   6  21 o 413.810  19.795  1512.23    143.029 1695.95    202.292 1328.57    202.256 435.419 26.737  383.797 30.431  51.62213       40.50806 
1 1 1 2   6  22 o 615.806  26.411  3376.33    283.984 3616.93    401.614 3135.74    401.615 630.805 36.620  585.300 39.529  45.50470       53.88544 
1 1 1 2   6  23 o 713.582  23.569  4512.98    293.667 5201.49    508.852 4169.15    359.594 755.700 38.693  682.609 30.170  73.09167       49.06549 
1 1 1 2   6  24 o 262.766  12.483  605.207    57.272  684.640    99.911  566.330    69.896  277.758 20.751  253.388 15.878  24.37012       26.12881 
1 1 1 2   6  25 o 289.169  12.886  732.960    65.065  894.394    113.321 653.568    79.469  317.811 20.531  272.170 16.805  45.64120       26.53127 
1 1 1 2   6  26 o 602.426  17.924  3191.95    188.536 3367.76    266.685 3016.28    266.574 616.731 24.765  583.182 26.179  33.54883       36.03669 
1 1 1 2   6  27 f 62.655   12.631  35.627     13.341  42.713     16.864  23.777     21.809  68.497  14.550  54.623  18.841  13.87330       23.80518 
1 1 1 2   6  28 o 395.333  15.362  1371.56    106.042 1195.94    183.454 1459.67    129.950 365.666 28.970  407.398 18.268  -41.73187      34.24899 
1 1 1 2   6  29 o 406.741  15.167  1451.55    107.713 1387.61    186.647 1483.48    131.892 394.607 27.256  410.710 18.392  -16.10269      32.88078 
1 1 1 2   6  30 o 611.101  18.010  3283.14    192.171 3067.64    271.625 3499.09    271.916 588.346 26.441  628.935 24.761  -40.58929      36.22451 
1 1 1 2   6  31 o 71.463   15.707  46.567     19.065  46.567     19.065  0.0000     0.0000  71.463  15.707  ?       ?       0.000000       15.70734 
1 1 1 2   6  32 o 256.602  15.620  580.015    69.650  580.015    69.650  0.0000     0.0000  256.602 15.620  ?       ?       0.000000       15.61953 
1 1 1 2   6  33 o 81.875   15.926  60.852     21.949  60.852     21.949  0.0000     0.0000  81.875  15.926  ?       ?       0.000000       15.92641 
1 1 1 2   6  34 o 267.579  15.839  630.799    73.671  630.799    73.671  0.0000     0.0000  267.579 15.839  ?       ?       0.000000       15.83881 
1 1 1 2   6  35 o 147.943  11.752  192.895    30.108  175.754    35.929  233.312    55.172  140.755 14.843  161.532 19.988  -20.77643      24.89641 
1 1 1 2   6  36 o 136.713  10.424  164.543    24.695  158.908    34.172  170.703    35.728  133.746 14.885  138.662 14.995  -4.915741      21.12906 
1 1 1 2   6  37 f 476.390  15.844  1993.57    131.795 1774.45    161.110 2436.83    229.146 448.504 20.573  524.295 25.031  -75.79102      32.40027 
1 1 1 2   6  38 o 118.396  12.462  124.205    25.375  106.165    29.940  170.201    47.808  108.735 16.270  137.426 20.555  -28.69087      26.21466 
1 1 1 2   6  39 o 178.965  9.6579  281.121    30.068  230.383    41.159  339.190    44.032  161.318 14.776  196.256 12.922  -34.93886      19.62925 
1 1 1 2   6  40 o 432.180  12.855  1638.05    97.006  1404.89    136.646 1874.94    137.734 399.047 19.611  461.577 17.090  -62.52933      26.01283 
1 1 1 2   6  41 o 220.294  10.055  424.907    38.675  380.341    53.481  473.764    55.996  207.546 14.856  231.901 13.893  -24.35532      20.34009 
1 1 1 2   6  42 o 316.299  11.136  876.687    61.504  797.457    86.074  959.341    87.914  300.569 16.463  330.339 15.242  -29.77036      22.43560 
1 1 1 2   6  43 o 343.242  12.914  1034.00    77.398  749.958    131.084 1186.03    95.899  288.837 26.279  367.282 14.954  -78.44482      30.23590 
1 1 1 2   6  44 o 207.889  13.174  380.998    47.572  414.010    83.253  364.993    57.968  214.829 22.530  202.890 16.506  11.93875       27.92915 
1 1 1 2   6  45 o 151.396  13.846  203.124    36.197  175.408    62.147  217.353    44.529  137.780 26.797  156.168 16.584  -18.38756      31.51400 
1 1 1 2   6  46 o 302.384  17.786  810.598    93.492  0.0000     0.0000  810.598    93.492  ?       ?       302.384 17.786  0.000000       17.78573 
1 1 1 2   6  47 o 919.159  37.331  7798.20    599.131 0.0000     0.0000  7798.20    599.131 ?       ?       919.159 37.331  0.000000       37.33091 
1 1 1 2   6  48 o 118.502  17.740  126.936    35.577  -139.2208  61.926  258.058    43.465  43.937  21.744  170.483 14.747  -126.5459      26.27320 
1 1 1 2   6  49 o 325.786  14.554  936.176    82.791  824.261    142.109 993.677    101.863 300.725 27.363  334.444 17.504  -33.71866      32.48296 
1 1 1 2   6  50 f 595.179  25.873  3203.62    268.883 0.0000     0.0000  3203.62    268.883 ?       ?       595.179 25.873  0.000000       25.87330 
1 1 1 2   6  51 o 135.138  14.515  163.215    33.713  186.625    57.829  151.163    41.493  141.976 24.195  128.919 19.003  13.05782       30.76542 
1 1 1 2   6  52 o 433.775  16.964  1674.28    128.486 1878.81    222.605 1572.10    157.342 451.156 28.403  417.348 21.666  33.80786       35.72338 
1 1 1 2   6  53 o 255.714  11.365  576.417    50.746  546.132    71.185  607.711    72.361  247.043 16.599  260.888 15.962  -13.84497      23.02847 
1 1 1 2   6  54 o 101.180  14.575  92.742     25.006  70.874     30.224  140.192    44.521  86.937  20.282  122.721 21.564  -35.78358      29.60331 
1 1 1 2   6  55 o 49.024   17.758  18.223     19.568  28.483     23.697  -3.7700    34.694  57.890  19.648  49.323  21.484  8.567608       29.11380 
1 1 1 2   6  56 o 53.120   17.897  24.087     19.659  11.447     22.877  59.768     38.438  46.997  18.666  79.889  24.884  -32.89221      31.10626 
1 1 1 2   6  57 o 141.644  11.644  179.161    28.544  191.636    38.684  164.252    42.291  145.318 15.484  133.255 18.690  12.06329       24.27104 
1 1 1 2   6  58 o 43.363   16.414  12.701     17.054  -0.4366    22.219  31.536     26.604  40.414  17.398  60.430  20.812  -20.01609      27.12571 
1 1 1 2   6  59 o 136.157  13.691  167.964    32.109  153.763    38.437  200.759    58.410  128.723 17.560  143.996 24.082  -15.27245      29.80400 
1 1 1 2   6  60 o 193.544  12.922  337.657    43.419  319.684    52.500  376.555    77.236  186.596 16.277  198.230 22.725  -11.63435      27.95284 
1 1 1 2   6  61 o 119.221  15.049  131.156    30.629  127.198    35.651  142.312    59.856  115.990 18.202  116.393 29.434  -0.4032974     34.60734 
1 1 1 2   6  62 o 134.596  17.574  170.682    40.316  127.884    51.734  236.867    64.334  110.903 26.975  153.825 24.795  -42.92213      36.63951 
1 1 1 2   6  63 o 175.489  13.379  281.562    40.686  222.701    66.513  316.754    51.430  146.341 27.026  184.346 16.140  -38.00539      31.47868 
1 1 1 2   6  64 o 41.870   18.485  -3.3947    26.478  0.0000     0.0000  -3.3947    26.478  ?       ?       41.870  18.485  0.000000       18.48492 
1 1 1 2   6  65 o 58.795   21.791  30.348     29.727  0.0000     0.0000  30.348     29.727  ?       ?       58.795  21.791  0.000000       21.79068 
1 1 1 2   6  66 o 71.993   22.921  53.708     32.443  62.219     41.780  40.780     51.489  76.372  26.088  68.666  27.751  7.706146       38.08806 
1 1 1 2   6  67 o 95.017   14.525  85.980     23.332  87.402     31.147  84.162     35.219  92.684  19.845  89.101  22.603  3.583588       30.07832 
1 1 1 2   6  68 o 62.646   17.884  39.555     20.530  61.740     27.578  11.976     30.748  76.997  20.244  49.556  20.864  27.44089       29.07146 
1 1 1 2   6  69 o 24.327   11.750  -21.6956   15.088  -20.3875   19.017  -23.9179   24.787  28.942  13.767  33.297  15.803  -4.354418      20.95810 
1 1 1 2   6  70 o 60.224   17.514  37.075     19.521  33.584     25.463  42.054     30.405  57.753  20.332  63.136  22.219  -5.382996      30.11829 
1 1 1 2   6  71 o 33.187   14.815  -3.3422    17.488  -3.7653    23.046  -2.7680    26.850  37.672  16.898  40.733  18.258  -3.060913      24.87764 
1 1 1 2   6  72 o 68.126   18.934  49.968     23.334  48.185     33.615  51.626     32.415  65.037  23.312  67.018  22.979  -1.981064      32.73299 
1 1 1 2   7  0  o 579.790  25.102  2994.37    254.121 2994.37    254.121 0.0000     0.0000  579.790 25.102  ?       ?       0.000000       25.10191 
1 1 1 2   7  1  o 301.257  16.690  801.844    87.450  801.844    87.450  0.0000     0.0000  301.257 16.690  ?       ?       0.000000       16.69014 
1 1 1 2   7  2  o 203.339  14.322  365.131    50.524  365.131    50.524  0.0000     0.0000  203.339 14.322  ?       ?       0.000000       14.32174 
1 1 1 2   7  3  o 467.195  17.395  1924.32    141.898 1924.32    141.898 0.0000     0.0000  467.195 17.395  ?       ?       0.000000       17.39465 
1 1 1 2   7  4  o 309.622  13.838  842.150    74.814  842.150    74.814  0.0000     0.0000  309.622 13.838  ?       ?       0.000000       13.83849 
1 1 1 2   7  5  o 66.528   10.824  39.780     12.141  45.884     14.930  27.858     20.863  71.296  12.446  56.997  18.405  14.29837       22.21824 
1 1 1 2   7  6  o 216.774  12.123  413.476    45.700  417.948    55.985  404.546    79.117  217.528 14.828  212.608 21.613  4.919907       26.21025 
1 1 1 2   7  7  o 138.500  9.5879  168.765    23.044  176.113    32.656  161.477    32.523  140.990 13.427  134.857 14.017  6.132629       19.41029 
1 1 1 2   7  8  o 535.185  16.634  2522.94    155.436 2596.32    219.831 2449.57    219.810 540.617 23.288  524.842 23.986  15.77582       33.43150 
1 1 1 2   7  9  o 313.270  11.748  860.566    64.261  882.480    90.878  838.651    90.880  316.135 16.521  308.069 16.960  8.066772       23.67686 
1 1 1 2   7  10 o 293.015  11.654  752.773    59.624  794.342    84.318  711.196    84.325  299.984 16.157  283.610 17.108  16.37378       23.53185 
1 1 1 2   7  11 o 341.851  12.452  1025.17    74.327  1004.60    105.103 1045.74    105.127 337.078 17.922  344.016 17.560  -6.937500      25.09073 
1 1 1 2   7  12 o 357.237  12.808  1119.76    79.890  1090.20    112.960 1149.34    113.002 351.066 18.493  361.060 17.924  -9.993134      25.75416 
1 1 1 2   7  13 f 838.903  23.777  6249.04    348.276 6508.04    492.546 5990.05    492.526 849.353 33.212  813.678 34.667  35.67578       48.00862 
1 1 1 2   7  14 o 179.102  11.654  282.351    36.248  335.678    44.573  178.221    62.286  195.150 13.158  139.230 26.591  55.91942       29.66796 
1 1 1 2   7  15 o 199.195  14.451  350.291    49.919  414.115    70.664  286.708    70.530  215.879 18.938  178.419 23.188  37.45937       29.93862 
1 1 1 2   7  16 o 343.187  17.950  1040.31    107.190 1042.73    151.615 1037.88    151.564 341.556 25.609  340.741 25.663  0.8145447      36.25480 
1 1 1 2   7  17 o 510.020  22.791  2302.77    202.959 2528.07    287.042 2077.52    287.012 530.386 31.131  479.041 34.545  51.34464       46.50313 
1 1 1 2   7  18 f 398.063  19.456  1396.82    135.226 0.0000     0.0000  1396.82    135.226 ?       ?       398.063 19.456  0.000000       19.45570 
1 1 1 2   7  19 o 500.947  18.057  2208.49    157.942 2384.58    273.750 2120.62    193.373 515.888 30.526  489.773 22.612  26.11566       37.98874 
1 1 1 2   7  20 o 306.682  13.717  824.818    73.454  838.305    127.575 818.130    89.840  306.869 24.001  304.613 16.958  2.255615       29.38730 
1 1 1 2   7  21 o 390.226  13.386  1335.00    91.207  1330.98    129.018 1339.02    128.954 388.816 19.004  389.999 18.937  -1.183502      26.82822 
1 1 1 2   7  22 o 180.203  10.004  285.025    31.355  266.436    44.425  303.477    44.260  173.638 14.794  185.536 13.760  -11.89818      20.20401 
1 1 1 2   7  23 o 212.199  12.429  395.829    45.852  356.265    79.741  415.372    56.044  199.476 23.335  217.078 14.876  -17.60220      27.67368 
1 1 1 2   7  24 o 235.102  12.470  485.590    51.008  512.304    88.600  472.345    62.384  240.093 21.357  231.463 15.526  8.630142       26.40433 
1 1 1 2   7  25 o 316.490  13.531  878.064    74.773  760.154    129.518 937.007    91.574  291.858 25.677  326.669 16.055  -34.81140      30.28280 
1 1 1 2   7  26 o 447.673  16.596  1760.44    129.722 1668.60    158.760 1944.93    225.017 435.060 20.899  467.221 27.706  -32.16180      34.70439 
1 1 1 2   7  27 o 176.373  12.180  273.773    37.281  267.230    45.295  287.516    65.644  173.867 15.069  179.321 21.387  -5.453552      26.16271 
1 1 1 2   7  28 o 611.926  25.712  3318.40    274.721 3318.40    274.721 0.0000     0.0000  611.926 25.712  ?       ?       0.000000       25.71166 
1 1 1 2   7  29 o 225.186  14.874  446.890    58.152  446.890    58.152  0.0000     0.0000  225.186 14.874  ?       ?       0.000000       14.87351 
1 1 1 2   7  30 o 468.414  21.406  1936.33    175.080 1936.33    175.080 0.0000     0.0000  468.414 21.406  ?       ?       0.000000       21.40642 
1 1 1 2   7  31 o 118.645  15.494  125.670    31.332  125.670    31.332  0.0000     0.0000  118.645 15.494  ?       ?       0.000000       15.49445 
1 1 1 2   7  32 o 464.614  16.966  1898.07    137.636 1804.04    168.411 2087.21    238.842 452.026 21.338  483.336 28.426  -31.31058      35.54324 
1 1 1 2   7  33 o 429.628  13.927  1619.41    104.475 1525.74    147.564 1713.56    147.935 415.864 20.322  440.961 19.214  -25.09769      27.96687 
1 1 1 2   7  34 f 330.703  12.012  958.407    69.362  841.615    97.703  1077.08    98.486  308.621 18.212  350.053 16.113  -41.43210      24.31651 
1 1 1 2   7  35 o 374.696  12.573  1230.97    82.255  1063.93    115.926 1400.33    116.731 346.844 19.217  398.983 16.756  -52.13873      25.49619 
1 1 1 2   7  36 o 307.372  11.559  827.920    62.037  708.860    87.151  950.213    88.327  283.162 17.716  328.818 15.384  -45.65610      23.46335 
1 1 1 2   7  37 o 201.084  10.257  355.006    35.892  302.715    49.743  411.798    51.840  184.918 15.550  216.150 13.808  -31.23230      20.79583 
1 1 1 2   7  38 o 146.252  10.201  188.234    25.886  169.798    35.634  208.836    37.667  138.191 15.009  153.548 14.211  -15.35748      20.66927 
1 1 1 2   7  39 o 45.716   14.892  17.708     13.640  28.043     16.454  -5.0027    24.391  55.820  16.035  41.124  17.960  14.69564       24.07673 
1 1 1 2   7  40 o 434.029  16.206  1659.10    122.814 1451.97    211.621 1764.29    150.808 400.579 30.485  446.753 19.333  -46.17484      36.09802 
1 1 1 2   7  41 o 370.250  13.982  1205.08    90.389  881.748    154.471 1373.44    111.464 312.100 28.666  394.811 16.169  -82.71127      32.91182 
1 1 1 2   7  42 o 260.606  13.651  598.674    61.900  582.790    105.241 607.075    76.538  254.590 23.956  261.784 16.834  -7.194397      29.27938 
1 1 1 2   7  43 o 293.598  12.285  757.096    62.980  634.232    88.289  884.396    89.868  266.947 19.067  316.187 16.334  -49.24066      25.10662 
1 1 1 2   7  44 o 619.488  18.957  3401.99    205.056 3669.12    289.590 3133.37    290.397 639.131 25.950  589.114 28.231  50.01648       38.34563 
1 1 1 2   7  45 o 32.384   15.436  -31.4415   24.167  -102.1047  41.956  3.6450     29.565  35.323  17.553  48.865  20.510  -13.54220      26.99550 
1 1 1 2   7  46 o 448.497  31.307  1850.14    243.628 0.0000     0.0000  1850.14    243.628 ?       ?       448.497 31.307  0.000000       31.30670 
1 1 1 2   7  47 o 521.966  19.037  2425.94    173.505 2285.01    300.035 2496.75    212.671 494.250 34.993  527.099 23.108  -32.84958      41.93399 
1 1 1 2   7  48 o 154.541  13.730  212.482    36.662  174.246    63.417  231.677    44.932  135.961 27.655  160.852 16.219  -24.89101      32.06030 
1 1 1 2   7  49 o 232.906  11.641  477.903    47.341  452.379    67.222  503.018    66.682  224.766 17.260  237.428 16.181  -12.66182      23.65907 
1 1 1 2   7  50 f 446.626  14.869  1770.51    115.954 1739.22    163.826 1801.93    164.141 438.838 21.380  446.919 21.034  -8.080841      29.99269 
1 1 1 2   7  51 o 78.239   18.035  57.007     24.133  52.442     30.419  64.761     39.643  75.146  21.865  83.320  25.145  -8.173943      33.32212 
1 1 1 2   7  52 o 123.803  14.037  137.944    29.807  150.267    36.910  114.837    50.541  128.471 16.861  109.019 26.751  19.45213       31.62143 
1 1 1 2   7  53 o 35.319   15.406  -2.8971    17.898  -7.6999    22.685  5.0213     29.128  38.014  16.929  48.499  20.357  -10.48508      26.47643 
1 1 1 2   7  54 o 230.749  11.501  472.152    46.338  448.348    65.186  496.468    65.883  222.289 16.922  234.336 16.201  -12.04633      23.42715 
1 1 1 2   7  55 o 146.179  11.567  190.971    29.282  172.740    41.222  209.539    41.602  136.881 17.659  151.641 15.951  -14.75986      23.79696 
1 1 1 2   7  56 o 72.107   16.305  48.914     20.048  62.208     27.262  33.257     29.585  80.642  19.561  62.293  21.918  18.34853       29.37766 
1 1 1 2   7  57 o 138.713  11.769  172.957    28.236  187.848    38.299  155.225    41.793  143.110 15.578  128.330 19.245  14.77954       24.75976 
1 1 1 2   7  58 o 133.815  12.010  161.646    27.763  171.758    37.945  149.995    40.728  136.165 16.283  125.773 19.150  10.39208       25.13690 
1 1 1 2   7  59 o 252.668  17.051  592.553    74.784  538.757    104.273 649.532    107.313 231.840 26.219  257.120 24.188  -25.28021      35.67198 
1 1 1 2   7  60 o 25.944   12.542  -26.2893   17.280  -24.4731   19.916  -31.8227   34.762  29.262  13.966  40.289  18.999  -11.02680      23.57929 
1 1 1 2   7  61 o 38.154   16.955  -5.0951    22.633  18.521     28.545  -45.0791   37.142  52.697  20.875  39.079  18.763  13.61790       28.06813 
1 1 1 2   7  62 o 120.635  14.753  136.269    30.427  142.105    50.453  132.933    38.144  115.941 25.606  116.368 19.460  -0.4278030     32.16161 
1 1 1 2   7  63 o 129.238  14.825  157.100    32.850  187.342    56.544  141.694    40.359  133.004 25.272  119.243 20.099  13.76065       32.28969 
1 1 1 2   7  64 o 84.275   18.590  71.170     26.620  76.606     46.272  68.480     32.545  82.658  27.452  80.639  22.343  2.018623       35.39535 
1 1 1 2   7  65 o 47.860   17.071  20.307     18.006  28.880     23.951  9.1671     27.304  55.450  19.698  46.614  19.645  8.836418       27.82020 
1 1 1 2   7  66 o 68.827   16.682  47.420     19.838  56.489     27.412  37.445     28.747  73.248  20.580  61.119  21.595  12.12976       29.83101 
1 1 1 2   7  67 o 46.279   17.016  18.644     18.062  10.202     24.158  29.345     27.199  44.679  18.631  55.814  20.812  -11.13498      27.93301 
1 1 1 2   7  68 o 28.047   13.063  -11.5526   15.593  -35.7221   20.471  21.853     24.066  26.499  12.994  50.299  19.387  -23.80048      23.33855 
1 1 1 2   7  69 o 70.513   17.074  51.395     20.798  45.062     28.348  58.779     30.608  64.068  21.491  72.095  22.164  -8.027374      30.87247 
1 1 1 2   7  70 o 63.786   18.897  43.992     22.543  25.775     26.464  92.164     43.035  52.276  20.279  85.120  26.300  -32.84378      33.20989 
1 1 1 2   8  0  o 249.117  12.444  544.028    54.130  562.808    66.347  506.642    93.613  252.693 15.106  238.220 22.784  14.47247       27.33673 
1 1 1 2   8  1  o 433.729  16.556  1654.32    125.385 1688.65    153.596 1585.73    217.084 437.457 20.109  420.289 29.774  17.16788       35.92825 
1 1 1 2   8  2  o 177.917  11.434  278.444    35.333  284.514    43.324  266.387    61.059  179.532 13.929  172.514 20.683  7.017883       24.93599 
1 1 1 2   8  3  o 474.119  17.800  1978.83    147.356 1896.38    180.492 2143.64    255.175 463.042 22.324  488.898 30.038  -25.85571      37.42486 
1 1 1 2   8  4  o 252.154  12.493  557.351    55.006  553.544    67.405  564.940    95.168  250.550 15.483  251.904 21.853  -1.354431      26.78256 
1 1 1 2   8  5  o 272.456  15.404  654.096    72.979  786.180    103.399 522.980    103.019 297.897 19.995  241.637 24.767  56.25967       31.83044 
1 1 1 2   8  6  o 112.826  13.972  113.372    26.937  94.676     38.295  131.680    37.897  101.568 22.212  120.923 18.540  -19.35480      28.93318 
1 1 1 2   8  7  o 251.298  15.157  556.508    66.196  663.102    93.770  450.615    93.461  273.560 19.764  224.281 24.252  49.27892       31.28540 
1 1 1 2   8  8  o 487.874  22.231  2103.55    189.382 1959.31    267.866 2247.72    267.787 466.340 33.112  500.660 30.782  -34.32059      45.20968 
1 1 1 2   8  9  o 171.548  14.771  260.190    43.814  260.190    43.814  0.0000     0.0000  171.548 14.771  ?       ?       0.000000       14.77126 
1 1 1 2   8  10 o 544.853  34.616  2676.93    327.609 2676.93    327.609 0.0000     0.0000  544.853 34.616  ?       ?       0.000000       34.61567 
1 1 1 2   8  11 o 377.469  27.047  1271.96    177.082 1271.96    177.082 0.0000     0.0000  377.469 27.047  ?       ?       0.000000       27.04692 
1 1 1 2   8  12 o 535.367  34.132  2581.53    317.401 0.0000     0.0000  2581.53    317.401 ?       ?       535.367 34.132  0.000000       34.13208 
1 1 1 2   8  13 o 190.021  20.843  322.172    68.021  0.0000     0.0000  322.172    68.021  ?       ?       190.021 20.843  0.000000       20.84330 
1 1 1 2   8  14 o 215.673  21.425  414.377    79.616  0.0000     0.0000  414.377    79.616  ?       ?       215.673 21.425  0.000000       21.42549 
1 1 1 2   8  15 o 229.613  14.791  464.522    58.986  517.621    83.929  412.697    82.917  241.550 20.082  215.039 22.413  26.51108       30.09306 
1 1 1 2   8  16 o 584.759  20.268  3013.81    206.944 3057.42    253.483 2926.66    358.353 587.625 24.705  569.312 36.238  18.31299       43.85806 
1 1 1 2   8  17 o 296.265  13.371  769.473    69.168  827.397    84.804  654.362    119.549 306.548 15.898  270.568 25.610  35.97952       30.14320 
1 1 1 2   8  18 o 485.365  17.692  2071.62    149.938 2198.61    183.685 1818.04    259.561 499.268 21.071  449.452 33.312  49.81610       39.41612 
1 1 1 2   8  19 o 598.453  24.947  3171.87    260.685 3171.87    260.685 0.0000     0.0000  598.453 24.947  ?       ?       0.000000       24.94729 
1 1 1 2   8  20 o 330.038  13.901  955.243    80.106  940.500    98.182  984.601    138.546 326.636 17.276  332.766 24.006  -6.130615      29.57621 
1 1 1 2   8  21 o 271.394  12.467  645.384    59.078  722.480    72.559  493.762    101.755 286.595 14.547  234.779 25.217  51.81580       29.11229 
1 1 1 2   8  22 o 312.181  13.780  854.680    75.111  820.946    91.823  922.899    130.579 305.083 17.309  322.234 23.367  -17.15094      29.07919 
1 1 1 2   8  23 o 69.126   13.807  43.387     16.082  47.978     19.117  32.270     29.746  72.550  15.558  63.589  22.000  8.961143       26.94524 
1 1 1 2   8  24 o 144.883  14.328  185.956    35.773  185.956    35.773  0.0000     0.0000  144.883 14.328  ?       ?       0.000000       14.32846 
1 1 1 2   8  25 o 240.984  15.711  512.258    65.748  512.258    65.748  0.0000     0.0000  240.984 15.711  ?       ?       0.000000       15.71134 
1 1 1 2   8  26 o 150.319  14.628  200.194    37.908  200.194    37.908  0.0000     0.0000  150.319 14.628  ?       ?       0.000000       14.62835 
1 1 1 2   8  27 o 210.657  14.602  391.412    53.377  391.412    53.377  0.0000     0.0000  210.657 14.602  ?       ?       0.000000       14.60169 
1 1 1 2   8  28 o 381.897  12.925  1278.96    86.185  1170.39    121.756 1387.98    122.012 363.858 19.233  397.090 17.598  -33.23221      26.06862 
1 1 1 2   8  29 o 535.473  16.222  2521.29    151.673 2360.76    214.430 2682.03    214.564 516.024 23.799  550.523 22.321  -34.49866      32.62853 
1 1 1 2   8  30 o 343.561  12.446  1034.98    74.663  941.170    105.347 1129.66    105.834 326.242 18.570  358.273 16.918  -32.03131      25.12120 
1 1 1 2   8  31 o 453.871  14.595  1809.57    115.667 1636.44    163.422 1983.36    163.733 429.441 21.867  473.948 19.785  -44.50693      29.48923 
1 1 1 2   8  32 o 331.247  12.162  962.185    70.341  908.581    99.269  1016.24    99.686  320.599 17.803  339.743 16.804  -19.14371      24.48145 
1 1 1 2   8  33 o 142.911  10.535  179.884    26.102  167.330    35.927  193.919    37.987  137.118 15.265  147.790 14.925  -10.67133      21.34898 
1 1 1 2   8  34 o 348.979  12.457  1068.57    75.903  997.749    107.027 1140.24    107.664 335.760 18.325  359.691 17.143  -23.93106      25.09333 
1 1 1 2   8  35 o 258.794  10.893  587.048    49.220  547.316    69.262  627.585    69.960  248.804 16.028  266.677 15.086  -17.87306      22.01159 
1 1 1 2   8  36 o 289.832  13.031  737.771    65.947  548.632    112.852 835.854    81.268  246.281 26.669  308.183 15.102  -61.90117      30.64838 
1 1 1 2   8  37 o 265.207  13.375  619.663    61.737  514.707    106.426 672.893    75.792  238.541 25.972  275.910 15.798  -37.36879      30.39904 
1 1 1 2   8  38 o 75.713   17.880  52.679     23.259  85.732     38.382  33.498     29.239  96.213  23.132  63.879  21.824  32.33400       31.80243 
1 1 1 2   8  39 o 169.228  13.232  253.338    38.788  270.992    66.231  244.122    47.852  173.031 22.451  165.433 16.799  7.598053       28.04027 
1 1 1 2   8  40 o 412.860  13.993  1500.98    100.870 1202.64    141.700 1807.47    143.623 366.541 22.246  451.715 18.209  -85.17395      28.74803 
1 1 1 2   8  41 o ?        ?       -269.0163  8.9894  -285.8354  12.037  -247.8084  13.517  ?       ?       ?       ?       0.000000       ?        
1 1 1 2   8  42 o 86.125   18.958  68.432     27.737  76.684     41.859  61.973     37.035  90.889  25.395  82.258  24.181  8.630882       35.06595 
1 1 1 2   8  43 f 152.265  13.379  205.934    35.209  144.768    55.495  247.146    45.552  124.231 26.397  166.374 15.873  -42.14338      30.80221 
1 1 1 2   8  44 o 456.631  21.681  1871.83    172.862 0.0000     0.0000  1871.83    172.862 ?       ?       456.631 21.681  0.000000       21.68061 
1 1 1 2   8  45 o 182.971  16.653  299.942    52.620  0.0000     0.0000  299.942    52.620  ?       ?       182.971 16.653  0.000000       16.65288 
1 1 1 2   8  46 o 241.775  13.278  518.431    55.840  428.401    92.720  569.668    69.948  215.332 25.133  252.625 15.939  -37.29300      29.76158 
1 1 1 2   8  47 o 42.986   17.661  5.8863     21.271  -10.7485   25.280  46.226     39.366  39.443  17.695  73.512  25.316  -34.06895      30.88737 
1 1 1 2   8  48 o 259.173  13.517  597.677    60.956  615.983    74.454  560.461    106.158 261.990 16.358  245.379 25.132  16.61099       29.98621 
1 1 1 2   8  49 o 150.669  13.271  203.180    34.558  188.815    42.258  232.184    60.047  144.021 17.141  157.802 22.424  -13.78119      28.22468 
1 1 1 2   8  50 o 184.523  13.337  304.673    42.681  350.116    52.187  212.868    74.175  197.142 15.280  146.843 29.945  50.29929       33.61794 
1 1 1 2   8  51 o 77.392   16.101  55.838     21.049  74.798     31.428  40.413     28.346  88.574  20.694  66.587  21.449  21.98607       29.80435 
1 1 1 2   8  52 o 212.190  11.416  401.258    42.139  411.937    59.619  390.597    59.569  212.861 16.161  207.010 16.621  5.851288       23.18270 
1 1 1 2   8  53 o 69.586   16.987  45.814     20.460  55.848     29.222  36.165     28.656  76.162  21.196  63.638  21.606  12.52353       30.26746 
1 1 1 2   8  54 o 129.243  14.352  152.580    31.841  135.994    39.595  182.941    53.570  119.683 19.628  137.217 23.185  -17.53394      30.37760 
1 1 1 2   8  55 o 94.987   14.357  83.430     23.069  92.853     33.580  75.007     31.746  97.870  20.315  87.508  21.037  10.36167       29.24460 
1 1 1 2   8  56 o 147.903  11.714  197.562    30.003  205.522    42.637  189.754    42.227  148.373 16.751  142.166 17.372  6.206955       24.13287 
1 1 1 2   8  57 o 161.051  13.384  237.201    37.295  207.760    45.632  296.432    64.725  147.971 18.035  174.094 21.768  -26.12270      28.26866 
1 1 1 2   8  58 o 56.687   20.514  27.989     26.103  58.357     37.580  -0.3196    36.284  75.745  24.720  49.616  21.781  26.12925       32.94659 
1 1 1 2   8  59 o 69.168   21.184  48.016     27.992  69.731     40.524  28.203     38.710  81.159  25.593  60.953  24.257  20.20574       35.26234 
1 1 1 2   8  60 o 64.992   20.658  42.190     26.363  43.092     36.389  41.194     38.246  66.624  24.204  66.056  24.670  0.5687027      34.56059 
1 1 1 2   8  61 o 131.014  18.128  168.293    40.357  191.234    57.189  145.535    56.960  133.121 25.533  112.402 28.870  20.71880       38.54111 
1 1 1 2   8  62 o 84.462   15.036  68.901     21.362  66.410     29.593  71.612     30.869  79.606  20.991  82.532  21.283  -2.926483      29.89286 
1 1 1 2   8  63 o 54.927   16.977  29.817     17.931  34.054     24.333  24.781     26.525  58.486  19.910  53.468  20.416  5.017776       28.51671 
1 1 1 2   8  64 o 60.769   17.034  37.415     18.801  55.664     25.427  15.403     27.925  72.782  19.580  49.062  20.206  23.71968       28.13606 
1 1 1 2   8  65 o 88.518   14.173  76.029     21.167  58.449     28.451  97.823     31.678  73.220  21.100  96.714  19.433  -23.49426      28.68566 
1 1 1 2   8  66 o 29.202   13.775  -16.1730   18.298  -23.3373   32.303  -12.7882   22.204  38.506  18.206  33.832  15.700  4.673653       24.04037 
1 1 1 2   8  67 o 59.786   17.277  37.496     19.051  27.152     25.684  50.149     28.405  52.902  20.116  66.625  21.472  -13.72319      29.42253 
1 1 1 2   9  0  o 705.751  20.756  4392.58    255.778 4372.57    295.362 4452.59    511.477 702.927 24.065  698.587 42.129  4.340454       48.51754 
1 1 1 2   9  1  o 154.377  9.9716  209.417    26.735  200.643    30.990  234.950    52.866  150.887 11.858  162.277 19.019  -11.38956      22.41254 
1 1 1 2   9  2  o 231.073  10.515  467.374    42.425  471.884    49.064  454.010    84.461  231.767 12.167  225.786 21.691  5.981339       24.87003 
1 1 1 2   9  3  o 674.781  19.884  4012.45    234.280 4047.23    270.548 3908.16    468.429 676.676 22.898  654.902 41.174  21.77429       47.11271 
1 1 1 2   9  4  o 619.300  21.329  3384.58    230.643 3472.52    282.532 3208.91    399.336 625.724 25.860  594.668 38.669  31.05621       46.51929 
1 1 1 2   9  5  o 281.154  13.272  693.009    65.156  700.826    79.866  677.451    112.666 281.976 16.291  275.764 23.627  6.211853       28.69867 
1 1 1 2   9  6  o 168.312  12.988  249.780    37.876  355.014    53.935  147.388    53.202  200.485 15.528  126.874 24.905  73.61097       29.34905 
1 1 1 2   9  7  o 399.822  27.960  1428.35    193.965 0.0000     0.0000  1428.35    193.965 ?       ?       399.822 27.960  0.000000       27.95999 
1 1 1 2   9  8  o 255.492  22.577  581.216    99.683  0.0000     0.0000  581.216    99.683  ?       ?       255.492 22.577  0.000000       22.57733 
1 1 1 2   9  9  o 412.525  15.536  1494.41    111.906 1669.47    193.996 1407.11    136.997 433.086 25.770  399.600 19.635  33.48657       32.39810 
1 1 1 2   9  10 o 319.652  12.134  895.252    67.726  880.959    95.792  909.537    95.765  316.020 17.427  321.174 17.139  -5.153992      24.44280 
1 1 1 2   9  11 o 450.278  16.607  1782.08    130.567 1557.59    226.002 1894.54    159.964 416.308 31.320  463.620 19.760  -47.31213      37.03307 
1 1 1 2   9  12 o 299.815  13.187  788.140    69.031  654.656    119.302 855.327    84.640  270.512 25.561  312.073 15.533  -41.56125      29.91044 
1 1 1 2   9  13 o 696.743  23.474  4296.57    285.573 3846.01    494.541 4521.97    349.785 646.936 44.042  712.687 28.109  -65.75073      52.24770 
1 1 1 2   9  14 o 216.448  11.732  411.630    44.173  312.259    53.819  616.759    77.325  187.753 16.587  264.322 16.842  -76.56873      23.63871 
1 1 1 2   9  15 o 224.156  11.786  441.428    45.967  436.119    56.091  452.284    80.212  222.439 14.522  225.479 20.601  -3.040710      25.20489 
1 1 1 2   9  16 o 330.900  12.949  960.080    74.816  678.300    91.363  1533.65    130.350 276.808 19.018  417.403 17.885  -140.5946      26.10702 
1 1 1 2   9  17 o 371.382  14.842  1211.10    96.246  1079.96    117.762 1474.95    167.030 349.469 19.375  407.409 23.581  -57.93939      30.51960 
1 1 1 2   9  18 o 610.926  17.693  3285.66    188.740 2971.88    266.807 3599.98    267.032 578.079 26.433  637.266 23.998  -59.18732      35.70179 
1 1 1 2   9  19 f 95.162   11.878  80.583     19.306  53.118     23.278  141.100    34.554  76.166  17.820  125.682 16.117  -49.51549      24.02743 
1 1 1 2   9  20 f 224.701  12.237  443.914    47.831  392.132    58.491  548.439    83.102  210.593 16.027  248.643 19.292  -38.04941      25.08117 
1 1 1 2   9  21 o 249.825  15.674  550.747    68.027  550.747    68.027  0.0000     0.0000  249.825 15.674  ?       ?       0.000000       15.67439 
1 1 1 2   9  22 o 126.473  14.128  142.161    30.665  142.161    30.665  0.0000     0.0000  126.473 14.128  ?       ?       0.000000       14.12773 
1 1 1 2   9  23 o 175.932  10.376  272.008    31.734  256.135    44.289  288.756    45.493  170.066 15.071  180.734 14.539  -10.66757      20.94061 
1 1 1 2   9  24 o 390.095  13.399  1335.68    91.262  1257.15    128.920 1414.56    129.209 376.799 19.663  400.484 18.478  -23.68512      26.98265 
1 1 1 2   9  25 o 142.975  10.292  179.965    25.522  136.887    35.663  225.192    36.541  123.547 16.981  159.637 13.229  -36.08992      21.52536 
1 1 1 2   9  26 o 268.499  11.084  631.831    51.963  521.252    73.038  745.172    73.944  242.593 17.357  291.183 14.544  -48.59021      22.64513 
1 1 1 2   9  27 o 504.014  15.723  2235.62    138.372 2108.19    195.562 2363.37    195.813 487.234 22.987  516.348 21.719  -29.11441      31.62457 
1 1 1 2   9  28 o 214.230  10.424  402.140    38.993  338.301    54.595  468.613    55.711  195.346 16.151  230.522 13.906  -35.17628      21.31277 
1 1 1 2   9  29 o 331.678  12.373  965.545    71.657  885.011    100.949 1047.33    101.731 316.023 18.374  344.650 16.905  -28.62726      24.96744 
1 1 1 2   9  30 o 541.718  16.424  2586.97    155.356 2290.27    219.448 2885.08    219.966 506.583 24.810  569.852 22.107  -63.26895      33.23001 
1 1 1 2   9  31 o 167.760  10.689  247.746    31.148  221.180    43.516  275.655    44.603  157.617 16.035  176.393 14.613  -18.77634      21.69513 
1 1 1 2   9  32 o 101.007  15.072  91.786     25.769  111.447    48.297  83.961     30.468  109.450 25.709  95.784  18.889  13.66629       31.90214 
1 1 1 2   9  33 o 110.595  18.745  111.197    34.904  84.369     52.376  132.630    46.815  96.054  28.883  120.011 23.180  -23.95612      37.03493 
1 1 1 2   9  34 o 214.327  16.344  407.957    60.702  364.245    85.904  451.550    85.787  200.097 25.142  224.007 22.226  -23.91052      33.55818 
1 1 1 2   9  35 o ?        ?       -188.4500  20.734  -47.2254   28.702  -342.5758  29.985  33.149  16.058  ?       ?       0.000000       16.05840 
1 1 1 2   9  36 o 431.608  13.843  1641.49    104.321 1873.90    147.759 1410.49    147.306 459.523 18.416  397.047 21.326  62.47571       28.17676 
1 1 1 2   9  37 f 212.093  12.108  396.966    44.654  382.902    62.977  411.186    63.325  207.061 17.585  214.770 17.026  -7.709229      24.47714 
1 1 1 2   9  38 f 219.185  11.524  423.668    43.951  368.494    62.078  479.120    62.234  202.956 17.694  232.238 15.435  -29.28189      23.48062 
1 1 1 2   9  39 o 49.625   17.903  18.463     19.859  23.654     33.589  15.673     24.623  60.336  22.989  50.934  19.616  9.401806       30.22058 
1 1 1 2   9  40 o 241.073  13.339  514.734    55.928  477.364    96.209  533.808    68.735  228.274 24.522  244.698 16.179  -16.42444      29.37826 
1 1 1 2   9  41 o 217.646  12.979  419.924    49.098  361.291    84.665  449.631    60.266  197.708 25.090  224.540 15.466  -26.83208      29.47406 
1 1 1 2   9  42 o 126.743  13.263  143.648    28.917  138.386    49.275  146.413    35.713  121.273 24.119  127.172 16.470  -5.899651      29.20598 
1 1 1 2   9  43 o 111.393  13.486  111.542    25.695  104.337    42.594  115.665    32.218  104.876 23.805  112.575 16.914  -7.699577      29.20152 
1 1 1 2   9  44 o 55.304   18.679  25.986     21.415  -7.1742    30.541  58.061     30.037  45.045  19.871  78.548  21.344  -33.50397      29.16209 
1 1 1 2   9  45 o 140.172  12.897  175.904    31.211  191.433    37.972  143.564    54.797  145.613 15.157  121.799 26.518  23.81351       30.54408 
1 1 1 2   9  46 o 142.509  12.889  182.085    31.724  181.566    38.556  183.172    55.818  141.354 15.897  138.745 23.904  2.608063       28.70719 
1 1 1 2   9  47 o 64.612   16.049  39.079     18.024  34.933     23.406  45.119     28.254  61.856  19.442  69.535  21.281  -7.679176      28.82507 
1 1 1 2   9  48 o 202.388  11.355  365.149    39.966  326.712    53.994  411.728    59.438  189.229 16.507  212.778 16.118  -23.54900      23.07107 
1 1 1 2   9  49 o 48.594   16.388  20.338     16.485  29.466     20.141  1.8125     28.693  56.878  18.055  46.404  19.868  10.47403       26.84604 
1 1 1 2   9  50 o 37.629   15.241  6.1018     15.569  1.1376     18.991  16.276     27.188  38.040  16.222  51.725  20.410  -13.68491      26.07149 
1 1 1 2   9  51 o 101.608  13.198  94.462     22.862  85.038     29.171  109.468    36.811  94.386  18.361  106.382 20.561  -11.99618      27.56598 
1 1 1 2   9  52 o 140.710  11.760  178.916    28.629  152.702    37.733  214.480    43.949  127.367 17.424  151.563 16.894  -24.19594      24.26934 
1 1 1 2   9  53 o 147.156  11.981  196.368    30.517  188.255    40.534  206.985    46.367  141.632 16.712  147.540 18.398  -5.908127      24.85572 
1 1 1 2   9  54 o 104.497  14.209  101.649    25.253  130.448    34.596  68.802     36.947  116.872 17.491  81.711  24.189  35.16164       29.85018 
1 1 1 2   9  55 o 50.932   19.980  18.175     25.912  -2.1010    39.761  33.145     34.164  50.847  22.540  61.771  23.268  -10.92423      32.39502 
1 1 1 2   9  56 o 139.769  17.661  188.460    42.139  195.052    61.297  182.553    58.024  134.193 27.094  130.359 26.397  3.834885       37.82741 
1 1 1 2   9  57 o 31.917   15.020  -19.4909   21.525  7.7923     34.874  -36.2822   27.359  50.681  21.807  32.942  15.889  17.73930       26.98162 
1 1 1 2   9  58 o 60.956   21.393  36.456     28.175  4.2464     43.132  60.429     37.211  53.279  23.554  74.734  24.608  -21.45453      34.06368 
1 1 1 2   9  59 o 108.906  16.293  115.717    30.030  111.664    38.137  122.332    48.720  102.766 21.922  103.150 26.806  -0.3849564     34.62820 
1 1 1 2   9  60 o 62.868   17.645  40.233     20.161  20.764     28.302  60.292     28.727  51.856  20.708  75.085  21.059  -23.22935      29.53496 
1 1 1 2   9  61 o 69.451   16.027  48.419     19.040  43.344     24.920  55.537     29.513  64.088  20.048  71.306  21.736  -7.218010      29.56958 
1 1 1 2   9  62 o 33.156   14.605  -1.2751    16.437  10.967     22.035  -16.6329   24.680  43.389  17.917  34.815  16.287  8.573654       24.21392 
1 1 1 2   9  63 o 156.996  11.841  231.844    32.220  238.763    44.892  224.492    46.272  153.710 17.012  147.411 18.376  6.298553       25.04173 
1 1 1 2   9  64 o 53.529   17.153  29.661     18.147  40.647     24.454  16.198     27.072  60.917  19.944  47.688  19.790  13.22865       28.09611 
1 1 1 2   9  65 o 28.827   13.193  -6.7014    14.923  2.0604     19.696  -18.5087   22.865  36.837  16.113  32.235  15.264  4.601685       22.19440 
1 1 1 2   10 0  o 159.622  10.427  224.065    28.902  262.387    35.767  151.957    49.063  172.611 11.941  129.210 22.568  43.40089       25.53222 
1 1 1 2   10 1  o 135.682  20.026  165.902    46.018  0.0000     0.0000  165.902    46.018  ?       ?       135.682 20.026  0.000000       20.02628 
1 1 1 2   10 2  f 323.753  24.967  936.364    140.046 0.0000     0.0000  936.364    140.046 ?       ?       323.753 24.967  0.000000       24.96663 
1 1 1 2   10 3  o 380.705  18.190  1277.20    120.919 1448.50    171.259 1106.91    170.753 403.229 24.440  351.127 28.086  52.10284       37.23059 
1 1 1 2   10 4  o 90.264   15.193  73.524     23.095  53.310     33.768  91.289     31.656  77.171  23.189  100.168 18.789  -22.99664      29.84568 
1 1 1 2   10 5  f 278.632  11.098  680.180    53.992  717.090    62.453  570.967    107.428 285.957 12.508  252.400 24.693  33.55661       27.67981 
1 1 1 2   10 6  o 336.342  12.221  991.882    71.773  1037.13    82.953  857.150    143.149 343.722 13.822  309.069 26.791  34.65250       30.14618 
1 1 1 2   10 7  o 452.345  14.626  1797.47    115.523 1840.38    133.432 1669.01    230.850 457.281 16.711  430.277 30.933  27.00491       35.15882 
1 1 1 2   10 8  o 531.852  16.156  2488.43    150.029 2618.50    173.287 2099.07    299.809 545.016 18.209  480.091 36.028  64.92459       40.36802 
1 1 1 2   10 9  o 123.226  9.6698  133.746    20.639  139.823    24.059  116.816    40.157  125.846 11.061  113.171 21.098  12.67498       23.82211 
1 1 1 2   10 10 o 206.244  10.177  372.508    36.648  387.458    42.409  328.422    72.827  209.926 11.615  191.321 22.214  18.60516       25.06732 
1 1 1 2   10 11 o 155.108  11.434  212.003    30.748  209.945    37.884  215.975    52.636  153.955 14.255  155.137 19.889  -1.182831      24.46990 
1 1 1 2   10 12 o 465.849  16.798  1911.01    136.635 1756.75    167.222 2220.88    237.004 445.434 21.500  497.984 27.362  -52.54977      34.79858 
1 1 1 2   10 13 o 359.011  14.435  1132.54    90.485  998.033    110.646 1404.12    157.222 335.721 18.953  397.229 22.763  -61.50830      29.62004 
1 1 1 2   10 14 o 441.911  16.376  1719.36    126.360 1690.04    154.706 1778.11    219.011 437.153 20.268  444.856 28.343  -7.702881      34.84446 
1 1 1 2   10 15 o 188.531  12.166  313.063    39.836  245.449    48.685  450.032    69.293  166.056 17.032  225.225 17.764  -59.16879      24.61045 
1 1 1 2   10 16 o 474.222  20.599  1990.56    170.566 1645.52    240.769 2338.17    241.666 425.681 32.642  510.707 27.199  -85.02594      42.48830 
1 1 1 2   10 17 o 298.760  24.454  799.710    126.449 0.0000     0.0000  799.710    126.449 ?       ?       298.760 24.454  0.000000       24.45420 
1 1 1 2   10 18 o 214.089  14.296  404.683    53.133  331.431    73.978  482.730    76.361  191.955 22.499  232.989 18.934  -41.03354      29.40566 
1 1 1 2   10 19 o 293.443  12.680  755.960    64.970  570.561    111.518 851.218    79.936  251.541 25.754  311.083 14.717  -59.54247      29.66206 
1 1 1 2   10 20 o 91.926   12.426  75.506     19.434  52.090     23.619  124.603    34.200  75.317  18.169  117.660 17.151  -42.34271      24.98571 
1 1 1 2   10 21 o 228.337  12.437  459.088    49.399  427.677    60.250  523.516    86.287  219.777 15.806  242.172 20.602  -22.39500      25.96647 
1 1 1 2   10 22 o 164.239  12.010  238.019    34.202  218.953    41.576  277.928    60.153  156.939 15.370  176.042 19.920  -19.10339      25.16005 
1 1 1 2   10 23 f 369.640  12.890  1200.55    83.192  1080.44    117.277 1322.19    118.028 348.761 19.334  386.881 17.472  -38.12033      26.05929 
1 1 1 2   10 24 o 148.643  10.497  194.701    27.068  175.215    37.352  216.252    39.282  140.160 15.523  156.059 14.585  -15.89874      21.30009 
1 1 1 2   10 25 f 314.489  12.020  868.639    66.005  793.319    92.994  945.109    93.700  298.951 17.897  326.786 16.475  -27.83524      24.32554 
1 1 1 2   10 26 o 246.533  11.371  533.575    48.946  502.756    68.840  565.085    69.608  237.990 16.671  252.566 15.865  -14.57610      23.01352 
1 1 1 2   10 27 o 198.596  11.140  347.315    38.473  334.751    53.939  360.326    54.890  194.053 16.064  201.450 15.730  -7.396744      22.48263 
1 1 1 2   10 28 o ?        ?       -259.3525  8.7280  -267.7807  11.800  -249.1712  12.969  ?       ?       ?       ?       0.000000       ?        
1 1 1 2   10 29 o 698.001  23.171  4365.44    282.403 3524.59    488.571 4787.33    346.072 602.612 46.800  727.390 27.248  -124.7779      54.15456 
1 1 1 2   10 30 o 199.531  13.637  352.497    47.226  365.230    78.485  345.270    59.128  200.678 22.804  196.605 17.404  4.073761       28.68638 
1 1 1 2   10 31 o 409.633  15.744  1484.72    112.611 1180.36    193.781 1639.92    138.374 357.081 31.399  429.442 18.454  -72.36102      36.42057 
1 1 1 2   10 32 o 85.369   17.241  66.952     24.814  36.080     39.283  87.449     32.009  69.006  25.136  97.377  19.506  -28.37054      31.81651 
1 1 1 2   10 33 o 245.159  13.191  531.815    56.257  439.347    95.905  580.323    69.463  218.663 25.604  255.447 15.649  -36.78435      30.00744 
1 1 1 2   10 34 o 88.061   16.045  70.889     23.762  22.536     39.253  98.856     29.853  62.714  24.594  104.155 17.002  -41.44054      29.89895 
1 1 1 2   10 35 o 22.665   11.074  -27.2210   14.475  -45.9919   22.807  -14.5589   18.732  27.763  13.634  31.589  14.575  -3.825806      19.95775 
1 1 1 2   10 36 o 331.230  14.694  973.645    84.986  946.624    146.805 987.266    104.226 319.876 26.524  331.713 18.063  -11.83691      32.09010 
1 1 1 2   10 37 o 222.836  12.694  440.693    49.187  315.408    83.718  506.737    60.784  183.001 27.012  238.366 14.676  -55.36565      30.74157 
1 1 1 2   10 38 o 128.554  13.252  148.045    29.320  144.949    50.676  149.604    35.949  123.707 24.328  128.385 16.412  -4.677643      29.34610 
1 1 1 2   10 39 o 110.379  13.906  110.002    26.206  89.538     44.866  120.598    32.285  96.403  26.040  114.900 16.572  -18.49676      30.86592 
1 1 1 2   10 40 o 58.324   18.133  30.744     20.422  40.247     24.090  6.4710     38.501  65.947  19.534  55.279  23.314  10.66776       30.41617 
1 1 1 2   10 41 o 367.058  15.612  1210.09    100.058 1235.56    122.221 1158.33    174.234 367.937 19.090  346.525 29.065  21.41187       34.77326 
1 1 1 2   10 42 o 131.335  13.568  155.684    30.666  141.794    36.108  191.631    58.087  124.082 17.122  141.221 24.442  -17.13946      29.84225 
1 1 1 2   10 43 o 134.257  13.388  162.809    30.965  143.423    36.516  212.431    58.423  124.555 17.254  149.071 23.200  -24.51640      28.91245 
1 1 1 2   10 44 o 137.886  11.288  170.296    26.939  152.231    37.187  190.247    39.079  128.254 17.027  144.122 15.788  -15.86781      23.21975 
1 1 1 2   10 45 o 205.689  11.254  378.280    40.266  370.079    55.979  387.073    57.961  201.000 16.085  205.467 16.289  -4.467514      22.89262 
1 1 1 2   10 46 o 75.768   14.658  53.678     18.691  23.039     24.804  93.932     28.431  54.011  19.927  99.973  16.889  -45.96252      26.12160 
1 1 1 2   10 47 o 122.608  13.791  137.749    29.012  133.814    48.622  139.924    36.152  115.120 24.912  121.906 17.485  -6.785645      30.43591 
1 1 1 2   10 48 o 63.577   17.118  38.852     19.424  51.886     31.188  30.591     24.828  72.552  22.384  58.276  20.103  14.27585       30.08630 
1 1 1 2   10 49 o 225.622  13.033  463.857    51.125  367.043    87.235  514.505    63.096  187.911 27.393  235.718 15.415  -47.80711      31.43252 
1 1 1 2   10 50 o 179.836  11.061  292.371    34.563  278.859    48.213  306.656    49.574  172.285 16.218  181.008 15.845  -8.723221      22.67329 
1 1 1 2   10 51 f 141.646  11.291  182.540    27.692  142.680    38.659  224.551    39.688  120.794 18.953  155.005 14.845  -34.21053      24.07471 
1 1 1 2   10 52 o 87.157   16.687  73.869     24.470  54.739     41.829  83.823     30.172  72.852  26.016  91.406  19.499  -18.55481      32.51208 
1 1 1 2   10 53 o 86.705   19.346  76.083     28.545  79.659     39.754  72.276     41.014  85.266  25.049  81.029  25.768  4.236786       35.93679 
1 1 1 2   10 54 o 92.170   18.966  85.976     29.506  74.288     41.127  98.371     42.354  81.369  25.796  93.967  25.267  -12.59859      36.10867 
1 1 1 2   10 55 o 45.990   17.779  16.273     20.286  18.933     26.913  12.774     30.869  50.589  20.197  49.723  20.918  0.8663597      29.07742 
1 1 1 2   10 56 o 68.675   16.842  47.668     20.041  43.635     24.071  56.781     36.183  64.667  19.611  71.449  24.278  -6.781380      31.20979 
1 1 1 2   10 57 o 29.690   13.551  -7.4318    15.607  2.9403     19.220  -27.5109   26.741  37.679  16.200  33.802  16.146  3.877560       22.87238 
1 1 1 2   10 58 o 51.934   17.376  26.832     18.532  16.518     23.966  42.171     29.225  47.181  18.980  62.560  21.798  -15.37875      28.90292 
1 1 1 2   10 59 o 82.961   16.475  70.148     23.023  81.025     30.840  56.454     34.604  85.760  20.807  69.509  23.742  16.25117       31.56961 
1 1 1 2   10 60 o 74.328   16.774  57.455     21.252  52.412     27.741  64.619     33.066  67.961  21.135  73.784  23.095  -5.823212      31.30615 
1 1 1 2   10 61 o 68.870   17.442  50.714     20.997  43.021     27.311  61.834     32.836  61.495  21.092  71.391  23.094  -9.896324      31.27611 
1 1 1 2   11 0  o 79.540   11.015  56.526     14.888  58.719     17.758  51.339     27.314  80.751  13.039  74.885  20.355  5.866447       24.17336 
1 1 1 2   11 1  o 590.776  20.559  3095.21    212.074 3225.11    259.789 2835.73    367.174 600.943 24.759  553.904 38.198  47.03906       45.51979 
1 1 1 2   11 2  o 177.531  11.675  277.742    35.988  313.145    44.264  208.707    61.812  188.263 13.556  151.192 24.233  37.07054       27.76671 
1 1 1 2   11 3  o 346.384  14.539  1055.86    87.935  1085.53    107.776 996.772    152.086 350.122 17.687  332.577 26.407  17.54553       31.78305 
1 1 1 2   11 4  o 266.779  12.802  625.227    59.634  661.584    73.279  553.934    102.613 273.626 15.400  248.111 23.985  25.51588       28.50370 
1 1 1 2   11 5  o 351.874  14.613  1089.81    89.782  1132.82    110.112 1004.51    155.081 358.092 17.611  333.633 26.848  24.45987       32.10879 
1 1 1 2   11 6  o 711.140  24.057  4514.08    298.715 4399.17    365.825 4743.99    517.461 697.777 30.026  712.479 41.778  -14.70258      51.44839 
1 1 1 2   11 7  o 102.304  12.897  93.395     22.527  97.487     27.374  84.810     39.650  104.070 15.540  95.658  23.827  8.412102       28.44733 
1 1 1 2   11 8  o 422.867  20.293  1586.61    149.832 1586.61    149.832 0.0000     0.0000  422.867 20.293  ?       ?       0.000000       20.29267 
1 1 1 2   11 9  o 475.806  21.624  2013.59    179.654 2013.59    179.654 0.0000     0.0000  475.806 21.624  ?       ?       0.000000       21.62443 
1 1 1 2   11 10 o 105.145  16.018  99.682     28.479  99.682     28.479  0.0000     0.0000  105.145 16.018  ?       ?       0.000000       16.01833 
1 1 1 2   11 11 f 659.846  27.746  3922.37    319.668 3922.37    319.668 0.0000     0.0000  659.846 27.746  ?       ?       0.000000       27.74555 
1 1 1 2   11 12 o 235.049  15.726  489.471    64.169  489.471    64.169  0.0000     0.0000  235.049 15.726  ?       ?       0.000000       15.72589 
1 1 1 2   11 13 o 295.443  13.517  768.028    69.731  701.527    85.221  902.752    121.298 281.116 17.448  317.561 22.012  -36.44501      28.08826 
1 1 1 2   11 14 o 173.151  12.359  264.814    37.120  252.270    64.573  271.005    45.365  166.665 22.786  174.698 15.018  -8.033371      27.29002 
1 1 1 2   11 15 o 324.991  14.390  930.670    81.659  864.036    140.945 964.338    100.187 308.778 26.396  329.657 17.468  -20.87927      31.65218 
1 1 1 2   11 16 o 180.457  12.294  287.578    38.507  192.967    65.189  338.282    47.722  144.172 26.885  195.462 14.077  -51.29062      30.34745 
1 1 1 2   11 17 o 277.971  13.551  680.429    65.772  551.576    113.736 745.169    80.619  245.862 26.935  289.983 15.984  -44.12076      31.32019 
1 1 1 2   11 18 o 166.056  12.802  244.057    36.833  183.890    61.623  277.501    45.943  140.793 26.025  176.699 15.034  -35.90646      30.05549 
1 1 1 2   11 19 o 132.070  14.339  155.597    32.534  149.694    53.149  159.135    41.143  126.964 24.864  132.733 18.234  -5.769691      30.83356 
1 1 1 2   11 20 o 525.572  19.926  2461.14    182.861 2583.84    316.121 2399.43    224.173 527.061 34.541  516.044 24.879  11.01685       42.56834 
1 1 1 2   11 21 o 615.050  21.179  3382.09    227.447 3059.18    393.054 3544.66    278.883 567.106 39.949  626.356 25.500  -59.25037      47.39408 
1 1 1 2   11 22 o ?        ?       -269.8964  9.8774  0.0000     0.0000  -269.8964  9.8774  ?       ?       ?       ?       0.000000       ?        
1 1 1 2   11 23 o 87.436   21.321  71.158     32.258  0.0000     0.0000  71.158     32.258  ?       ?       87.436  21.321  0.000000       21.32110 
1 1 1 2   11 24 o 297.053  17.388  787.051    89.796  0.0000     0.0000  787.051    89.796  ?       ?       297.053 17.388  0.000000       17.38827 
1 1 1 2   11 25 o 146.642  23.974  199.070    59.264  0.0000     0.0000  199.070    59.264  ?       ?       146.642 23.974  0.000000       23.97434 
1 1 1 2   11 26 o 193.239  23.041  341.808    76.210  0.0000     0.0000  341.808    76.210  ?       ?       193.239 23.041  0.000000       23.04121 
1 1 1 2   11 27 o 133.526  15.938  160.567    36.425  155.755    50.332  165.858    52.779  129.396 23.126  133.498 23.501  -4.101791      32.97120 
1 1 1 2   11 28 o 125.043  16.136  141.326    34.409  135.077    47.591  148.169    49.807  120.044 23.546  125.871 23.527  -5.826614      33.28584 
1 1 1 2   11 29 o 59.014   17.038  31.815     18.535  17.505     29.809  40.836     23.666  54.926  21.462  66.637  19.256  -11.71113      28.83437 
1 1 1 2   11 30 o 194.937  12.496  337.525    42.309  282.216    72.174  366.481    52.223  173.964 24.434  202.455 14.877  -28.49100      28.60716 
1 1 1 2   11 31 o 159.575  12.597  226.893    34.814  179.122    59.471  251.799    42.941  137.226 25.766  167.525 14.833  -30.29985      29.73110 
1 1 1 2   11 32 o 465.345  17.624  1948.72    143.200 1782.68    247.638 2032.13    175.523 427.955 33.405  471.966 21.299  -44.01117      39.61738 
1 1 1 2   11 33 o 228.162  10.962  460.307    43.672  401.457    60.796  523.048    62.774  210.745 16.658  241.472 14.962  -30.72729      22.39062 
1 1 1 2   11 34 o 83.417   12.624  63.168     17.812  52.783     23.424  77.407     27.428  74.921  18.107  91.066  17.888  -16.14510      25.45272 
1 1 1 2   11 35 o 162.252  10.856  234.183    30.578  203.469    42.243  267.991    44.319  149.360 16.472  172.267 14.880  -22.90775      22.19790 
1 1 1 2   11 36 o 114.120  13.733  118.105    26.814  103.553    32.359  149.999    47.905  105.260 18.269  125.229 22.746  -19.96944      29.17411 
1 1 1 2   11 37 o 53.775   17.612  25.659     19.069  11.337     22.845  58.575     34.632  46.609  18.608  78.078  23.489  -31.46912      29.96598 
1 1 1 2   11 38 o 43.867   17.351  10.648     19.694  10.648     19.694  0.0000     0.0000  43.867  17.351  ?       ?       0.000000       17.35133 
1 1 1 2   11 39 o 112.988  13.952  116.660    26.941  100.732    33.275  146.973    45.903  102.857 19.235  123.297 22.135  -20.44071      29.32480 
1 1 1 2   11 40 o 269.007  11.717  647.636    55.034  561.651    78.100  732.445    77.564  245.634 18.342  282.908 15.764  -37.27382      24.18548 
1 1 1 2   11 41 o 110.521  12.294  111.047    23.322  85.298     32.491  138.415    33.498  93.495  20.470  121.924 16.131  -28.42958      26.06210 
1 1 1 2   11 42 o 53.436   16.689  26.497     17.276  16.764     24.488  36.140     24.376  49.991  19.475  61.894  19.885  -11.90343      27.83335 
1 1 1 2   11 43 o 110.715  14.483  113.814    27.327  84.510     45.555  130.286    34.155  89.655  26.932  117.221 17.199  -27.56637      31.95551 
1 1 1 2   11 44 o 90.652   16.514  78.554     25.176  83.640     41.128  75.506     31.838  89.346  25.246  86.675  21.210  2.671562       32.97329 
1 1 1 2   11 45 o 45.916   16.297  17.870     16.390  14.007     21.798  22.895     24.861  46.401  18.286  53.050  19.875  -6.649586      27.00720 
1 1 1 2   11 46 o 244.992  11.589  544.704    49.574  469.395    69.321  623.532    70.922  220.910 18.131  257.522 15.850  -36.61194      24.08232 
1 1 1 2   11 47 o 117.691  12.213  127.799    24.733  108.958    33.277  151.053    36.969  104.822 18.875  124.795 17.442  -19.97353      25.70067 
1 1 1 2   11 48 o 48.466   17.726  20.109     19.565  6.2332     29.877  30.527     25.889  47.109  20.225  57.120  20.460  -10.01045      28.76873 
1 1 1 2   11 49 o 59.380   18.066  35.255     20.402  24.490     32.411  42.321     26.258  55.692  22.186  64.262  20.637  -8.569324      30.30043 
1 1 1 2   11 50 o 54.991   22.109  23.672     32.496  0.0000     0.0000  23.672     32.496  ?       ?       54.991  22.109  0.000000       22.10856 
1 1 1 2   11 51 o 38.198   16.381  3.1602     19.562  -2.5350    26.569  9.9028     28.909  41.047  18.297  47.210  20.071  -6.163193      27.15920 
1 1 1 2   11 52 o 75.950   16.690  58.364     21.529  61.448     26.053  51.723     38.230  76.200  19.500  68.129  24.800  8.070999       31.54815 
1 1 1 2   11 53 o 38.592   15.699  8.6339     16.598  32.903     19.930  -46.3125   29.987  56.590  17.959  32.359  15.838  24.23165       23.94474 
1 1 1 2   11 54 o 55.009   17.277  31.123     18.486  26.260     22.071  42.551     33.837  51.853  18.848  62.373  23.222  -10.51964      29.90843 
1 1 1 2   11 55 o 94.904   12.767  86.804     20.619  95.723     27.537  75.421     31.108  96.485  16.965  81.495  21.537  14.98951       27.41590 
1 1 1 2   11 56 o 100.315  12.424  96.932     21.296  71.834     28.855  126.959    31.561  79.763  20.581  110.984 16.813  -31.22105      26.57554 
1 1 1 2   11 57 o 63.617   15.969  42.473     17.711  38.220     23.933  47.620     26.333  58.508  19.746  64.201  20.672  -5.692669      28.58774 
1 1 1 2   11 58 o 52.293   16.186  28.981     16.292  30.544     21.931  27.057     24.338  53.063  18.849  51.138  19.549  1.924828       27.15628 
1 1 1 2   12 0  o 181.090  11.170  289.411    35.145  231.665    40.581  462.702    70.298  161.290 14.567  227.497 17.840  -66.20706      23.03190 
1 1 1 2   12 1  o 155.861  13.054  215.610    35.199  215.610    35.199  0.0000     0.0000  155.861 13.054  ?       ?       0.000000       13.05400 
1 1 1 2   12 2  o 281.756  14.300  702.974    70.123  702.974    70.123  0.0000     0.0000  281.756 14.300  ?       ?       0.000000       14.30040 
1 1 1 2   12 3  o 65.536   16.841  39.546     19.376  39.546     19.376  0.0000     0.0000  65.536  16.841  ?       ?       0.000000       16.84126 
1 1 1 2   12 4  o 74.684   18.041  51.567     23.263  51.567     23.263  0.0000     0.0000  74.684  18.041  ?       ?       0.000000       18.04125 
1 1 1 2   12 5  o 252.659  14.006  565.458    61.548  565.458    61.548  0.0000     0.0000  252.659 14.006  ?       ?       0.000000       14.00625 
1 1 1 2   12 6  o 450.208  17.642  1802.55    138.685 1802.55    138.685 0.0000     0.0000  450.208 17.642  ?       ?       0.000000       17.64226 
1 1 1 2   12 7  o 34.855   14.758  0.7421     15.526  -8.9238    18.728  21.990     27.767  33.758  15.181  56.313  21.023  -22.55545      25.93078 
1 1 1 2   12 8  o 203.507  11.026  365.328    39.033  350.994    45.157  407.687    77.627  199.047 13.066  212.191 21.237  -13.14415      24.93419 
1 1 1 2   12 9  o 161.074  10.945  229.244    30.601  214.417    35.318  273.892    61.289  155.337 13.145  173.702 20.610  -18.36441      24.44493 
1 1 1 2   12 10 o 235.083  11.211  486.372    46.019  475.128    53.146  520.064    91.996  231.631 13.195  239.353 22.268  -7.722778      25.88385 
1 1 1 2   12 11 o 122.471  11.174  133.089    23.631  137.467    27.335  120.139    47.014  124.181 12.790  113.075 24.519  11.10571       27.65393 
1 1 1 2   12 12 o 314.789  12.223  873.808    67.184  814.597    77.534  1052.23    134.592 303.281 14.641  340.599 22.763  -37.31815      27.06490 
1 1 1 2   12 13 o 154.644  10.501  211.321    28.187  204.036    32.192  235.259    58.356  151.609 12.266  160.374 21.372  -8.764481      24.64138 
1 1 1 2   12 14 o 274.897  11.488  665.925    55.139  603.877    63.498  856.148    111.180 260.833 13.993  307.817 20.808  -46.98389      25.07564 
1 1 1 2   12 15 o 278.715  11.705  684.997    56.964  657.169    65.861  767.634    113.493 272.099 13.909  290.383 22.561  -18.28421      26.50385 
1 1 1 2   12 16 o 171.382  12.518  260.798    37.200  218.700    45.354  347.354    65.032  155.730 16.953  195.872 19.264  -40.14203      25.66131 
1 1 1 2   12 17 o 379.275  13.467  1273.73    89.186  1215.01    126.063 1332.58    126.193 367.001 19.745  385.407 18.752  -18.40576      27.23070 
1 1 1 2   12 18 o 177.098  12.647  278.751    38.849  265.952    67.227  285.168    47.602  169.432 23.344  178.373 15.436  -8.940811      27.98582 
1 1 1 2   12 19 o 166.343  14.906  247.995    42.833  0.0000     0.0000  247.995    42.833  ?       ?       166.343 14.906  0.000000       14.90553 
1 1 1 2   12 20 o 132.800  12.646  157.517    28.970  256.413    53.340  116.141    34.502  167.906 18.501  112.380 18.206  55.52625       25.95637 
1 1 1 2   12 21 o 132.569  13.111  157.351    29.951  216.043    55.134  132.779    35.674  152.837 21.234  120.470 17.469  32.36729       27.49601 
1 1 1 2   12 22 o 126.638  11.600  143.007    25.364  110.522    35.416  177.215    36.343  109.074 19.302  140.153 15.089  -31.07861      24.49995 
1 1 1 2   12 23 o 239.071  11.014  505.286    45.979  488.700    64.716  522.190    65.335  233.003 16.004  241.065 15.606  -8.061890      22.35332 
1 1 1 2   12 24 o 260.271  11.447  599.930    52.020  589.914    73.060  610.229    74.086  255.681 16.452  260.091 16.397  -4.410507      23.22841 
1 1 1 2   12 25 o 176.229  11.068  276.036    33.883  249.546    47.306  303.943    48.554  165.691 16.574  183.520 15.292  -17.82901      22.55054 
1 1 1 2   12 26 o 146.711  10.947  191.694    27.841  173.800    38.862  210.562    39.906  137.936 16.461  152.460 15.193  -14.52380      22.40034 
1 1 1 2   12 27 o 65.888   15.211  40.530     17.145  7.1100     24.510  72.548     23.991  45.799  18.904  88.414  16.135  -42.61574      24.85313 
1 1 1 2   12 28 o 118.838  14.322  128.461    29.120  90.005     53.686  144.492    34.662  95.074  29.374  125.459 16.202  -30.38493      33.54629 
1 1 1 2   12 29 o 160.897  12.869  232.913    35.851  256.447    63.001  221.642    43.599  164.128 22.582  155.559 16.293  8.568756       27.84639 
1 1 1 2   12 30 f 270.281  13.833  658.548    65.065  588.289    112.947 693.444    79.600  245.094 26.831  275.458 16.628  -30.36424      31.56536 
1 1 1 2   12 31 o 162.207  12.564  237.074    35.308  200.069    42.555  318.835    63.254  147.090 16.875  184.170 19.991  -37.08020      26.16097 
1 1 1 2   12 32 o 247.337  13.172  552.032    56.679  545.557    69.247  565.174    98.659  243.746 16.365  241.812 23.670  1.933701       28.77687 
1 1 1 2   12 33 o 124.496  12.978  141.009    27.796  130.043    33.394  165.741    50.153  117.987 16.674  130.027 22.928  -12.04027      28.35013 
1 1 1 2   12 34 o 132.728  12.983  160.433    29.703  160.781    35.319  159.592    54.898  131.662 15.671  125.205 25.963  6.457047       30.32620 
1 1 1 2   12 35 o 88.848   12.531  72.516     18.900  74.027     25.028  70.511     28.831  88.139  16.878  84.796  19.827  3.342995       26.03783 
1 1 1 2   12 36 o 51.593   15.175  25.011     14.582  3.2683     18.698  58.766     23.297  38.529  16.248  77.928  17.544  -39.39908      23.91260 
1 1 1 2   12 37 o 120.959  13.246  134.696    27.520  88.978     46.355  159.580    34.198  91.265  27.112  130.709 15.272  -39.44411      31.11714 
1 1 1 2   12 38 o 49.243   16.769  21.702     17.262  34.115     25.831  11.686     23.204  60.201  20.513  46.056  18.624  14.14496       27.70642 
1 1 1 2   12 39 o 38.501   15.441  7.9716     15.809  -8.3635    21.013  29.276     23.997  35.272  15.950  56.471  19.748  -21.19960      25.38479 
1 1 1 2   12 40 o 117.155  12.202  126.457    24.595  113.248    33.763  141.391    35.900  107.167 18.725  120.786 17.535  -13.61945      25.65325 
1 1 1 2   12 41 o 221.337  13.412  454.389    51.588  397.743    87.968  484.082    63.690  190.948 27.149  225.385 16.294  -34.43658      31.66305 
1 1 1 2   12 42 o 147.897  11.660  201.155    29.866  205.880    41.944  196.294    42.537  145.831 16.778  141.718 17.567  4.113449       24.29187 
1 1 1 2   12 43 o 200.406  11.360  368.669    39.587  308.479    56.079  428.456    55.891  176.370 18.485  212.097 15.193  -35.72786      23.92718 
1 1 1 2   12 44 o 94.989   17.112  89.812     27.338  101.393    50.342  84.969     32.557  91.370  28.480  89.495  21.166  1.874916       35.48428 
1 1 1 2   12 45 o 67.657   25.211  49.556     39.898  0.0000     0.0000  49.556     39.898  ?       ?       67.657  25.211  0.000000       25.21118 
1 1 1 2   12 46 o 63.710   24.541  42.281     38.547  0.0000     0.0000  42.281     38.547  ?       ?       63.710  24.541  0.000000       24.54130 
1 1 1 2   12 47 o 89.605   20.490  86.564     31.360  52.770     43.834  121.999    44.886  67.983  26.175  101.794 25.350  -33.81159      36.43820 
1 1 1 2   12 48 o 111.760  14.902  122.820    28.355  129.449    34.264  108.416    50.508  111.913 18.157  90.762  28.566  21.15023       33.84782 
1 1 1 2   12 49 o 112.616  14.359  124.435    27.592  95.984     33.160  188.472    49.749  93.153  20.901  129.040 22.919  -35.88770      31.01857 
1 1 1 2   12 50 o 66.832   17.957  47.947     21.403  56.060     25.412  28.149     39.698  71.026  19.766  56.113  23.670  14.91283       30.83822 
1 1 1 2   12 51 o 55.432   16.198  32.217     16.663  36.216     21.217  25.779     26.919  57.697  18.553  51.652  20.331  6.045319       27.52429 
1 1 1 2   12 52 o 58.248   16.097  35.941     16.917  44.325     21.203  21.257     28.061  63.342  18.204  49.340  20.280  14.00187       27.25193 
1 1 1 2   12 53 o 39.882   15.218  13.834     14.733  6.6523     17.672  30.202     26.679  37.151  15.739  52.952  20.411  -15.80064      25.77461 
1 1 1 2   13 0  o 326.693  14.964  953.986    85.358  891.512    104.722 1077.65    147.338 312.915 19.260  339.455 25.035  -26.53952      31.58639 
1 1 1 2   13 1  o 156.970  12.683  220.156    34.464  185.593    42.356  287.869    59.285  142.573 17.373  177.088 19.496  -34.51506      26.11386 
1 1 1 2   13 2  o 211.234  12.708  397.665    46.653  318.016    56.935  560.427    81.388  187.004 17.645  247.982 18.940  -60.97809      25.88570 
1 1 1 2   13 3  o 156.654  12.355  219.077    33.521  232.600    40.873  191.298    58.582  160.718 14.729  141.809 24.548  18.90916       28.62741 
1 1 1 2   13 4  o 45.330   15.696  16.789     15.142  15.240     18.226  20.241     27.203  46.059  17.064  54.471  20.704  -8.412617      26.83020 
1 1 1 2   13 5  o 60.650   13.817  34.058     14.306  26.386     15.933  65.965     32.493  53.757  15.877  83.207  22.022  -29.45047      27.14835 
1 1 1 2   13 6  o 163.725  10.679  238.007    30.362  215.849    35.009  305.262    60.991  155.238 13.036  182.227 19.470  -26.98846      23.43139 
1 1 1 2   13 7  o 121.476  10.815  131.548    22.699  125.148    25.950  152.394    46.833  117.968 12.804  127.150 21.884  -9.181808      25.35437 
1 1 1 2   13 8  o 262.027  11.736  609.094    53.694  572.402    62.000  719.182    107.392 252.758 14.105  278.286 22.288  -25.52832      26.37618 
1 1 1 2   13 9  o 228.890  11.186  464.247    44.705  450.511    51.612  505.510    89.454  224.456 13.228  232.940 22.265  -8.484268      25.89745 
1 1 1 2   13 10 o 158.775  10.600  224.074    29.219  212.666    33.716  258.488    58.559  154.083 12.643  166.747 20.548  -12.66490      24.12585 
1 1 1 2   13 11 o 248.492  11.275  547.718    48.920  514.985    56.445  646.514    98.062  239.766 13.538  263.853 21.471  -24.08705      25.38299 
1 1 1 2   13 12 f 136.746  12.230  167.648    28.894  188.232    35.531  127.464    49.645  144.295 14.290  114.179 25.541  30.11665       29.26693 
1 1 1 2   13 13 o 179.731  13.098  289.874    40.821  240.008    50.291  386.180    69.889  161.420 18.158  204.221 19.850  -42.80054      26.90283 
1 1 1 2   13 14 o 176.612  12.818  279.820    39.258  245.715    47.709  351.343    69.090  163.803 16.925  194.067 20.709  -30.26422      26.74522 
1 1 1 2   13 15 o 140.521  12.348  177.388    29.991  150.588    36.671  231.518    52.117  127.818 16.841  157.725 19.329  -29.90655      25.63624 
1 1 1 2   13 16 o 278.503  13.426  695.166    65.286  638.715    80.083  807.027    112.731 264.104 17.465  292.910 22.207  -28.80524      28.25189 
1 1 1 2   13 17 o 110.563  10.929  109.668    20.823  99.605     23.905  141.317    42.393  104.605 13.396  121.943 20.647  -17.33801      24.61187 
1 1 1 2   13 18 f 283.322  11.698  716.077    57.871  702.583    66.810  756.629    115.817 279.542 13.688  281.230 23.809  -1.688660      27.46315 
1 1 1 2   13 19 o 273.860  11.649  669.505    55.706  670.439    78.674  668.566    78.885  270.456 16.742  270.023 16.815  0.4333496      23.72848 
1 1 1 2   13 20 o 149.220  10.883  199.357    28.160  185.690    39.693  213.207    39.957  141.807 16.329  152.593 15.199  -10.78615      22.30782 
1 1 1 2   13 21 o 116.127  11.467  121.601    22.948  134.840    32.269  108.055    32.642  120.764 15.673  106.903 18.135  13.86111       23.96950 
1 1 1 2   13 22 o 177.626  11.143  282.915    34.383  248.153    49.184  316.142    48.086  163.161 17.540  185.902 14.940  -22.74147      23.03999 
1 1 1 2   13 23 o 225.197  11.211  453.737    44.082  434.767    62.813  472.147    61.880  216.712 16.729  226.613 15.736  -9.901520      22.96758 
1 1 1 2   13 24 o 129.631  11.189  151.534    25.077  159.870    35.502  143.234    35.426  131.166 15.821  123.569 16.859  7.597061       23.11980 
1 1 1 2   13 25 f 107.189  12.783  105.170    23.453  112.919    32.027  96.211     34.438  109.102 17.396  99.019  20.590  10.08303       26.95513 
1 1 1 2   13 26 o 93.259   16.117  82.315     25.295  78.628     29.017  93.983     51.624  89.800  19.094  93.694  28.781  -3.894424      34.53868 
1 1 1 2   13 27 o 122.597  14.109  139.033    29.652  135.561    34.665  148.503    57.248  119.521 17.097  117.713 28.220  1.808289       32.99490 
1 1 1 2   13 28 o 90.784   16.896  79.137     25.797  90.610     29.730  44.179     51.897  96.592  18.297  71.597  28.215  24.99524       33.62852 
1 1 1 2   13 29 o 144.098  13.744  191.916    34.162  179.989    40.349  222.108    64.196  137.422 17.192  145.441 26.245  -8.018402      31.37432 
1 1 1 2   13 30 o 51.919   16.636  25.274     17.069  52.365     22.943  -8.3117    25.546  72.792  18.122  39.220  17.675  33.57182       25.31396 
1 1 1 2   13 31 f 140.371  11.434  179.800    27.781  174.214    38.587  185.811    40.030  134.942 16.736  139.372 16.787  -4.429535      23.70440 
1 1 1 2   13 32 o 192.491  11.274  337.533    37.727  307.106    53.004  368.776    53.710  178.762 17.193  197.458 15.708  -18.69699      23.28857 
1 1 1 2   13 33 o 107.778  14.966  110.586    27.404  105.543    47.459  113.108    33.564  96.693  27.049  106.672 18.702  -9.979263      32.88499 
1 1 1 2   13 34 o 83.465   17.181  69.038     24.205  44.233     44.291  79.601     28.903  67.471  26.217  88.526  19.247  -21.05491      32.52406 
1 1 1 2   13 35 o 49.091   17.156  22.100     18.110  17.084     27.105  26.145     24.341  49.942  20.152  53.705  19.752  -3.763107      28.21765 
1 1 1 2   13 36 f 84.066   18.848  72.462     26.983  86.660     36.779  55.911     39.709  88.749  23.401  71.324  25.361  17.42451       34.50744 
1 1 1 2   13 37 o 89.112   18.036  80.710     27.100  80.710     27.100  0.0000     0.0000  89.112  18.036  ?       ?       0.000000       18.03582 
1 1 1 2   13 38 o 61.004   18.363  38.421     21.161  38.421     21.161  0.0000     0.0000  61.004  18.363  ?       ?       0.000000       18.36288 
1 1 1 2   13 39 o 66.485   22.402  48.639     30.803  48.639     30.803  0.0000     0.0000  66.485  22.402  ?       ?       0.000000       22.40182 
1 1 1 2   13 40 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 2   13 41 o 132.464  17.915  180.395    40.372  175.760    59.056  184.461    55.318  116.671 29.090  123.660 26.422  -6.988533      39.29775 
1 1 1 2   13 42 o 51.483   19.394  25.561     23.736  26.430     35.129  24.831     32.197  54.826  22.630  53.381  21.806  1.445320       31.42699 
1 1 1 2   13 43 o 127.244  13.870  158.335    30.317  139.908    37.210  194.719    52.288  114.114 19.368  128.634 24.167  -14.52052      30.97027 
1 1 1 2   13 44 o 33.657   14.785  0.2566     16.744  -9.6012    20.993  17.493     27.759  33.362  15.406  48.048  19.998  -14.68644      25.24360 
1 1 1 2   13 45 f 121.793  12.863  144.466    26.941  113.387    38.055  175.695    38.146  97.539  22.760  129.311 17.331  -31.77137      28.60745 
1 1 1 2   13 46 o 49.078   17.052  25.045     17.879  42.389     24.228  4.3025     26.495  60.691  19.850  41.539  18.407  19.15200       27.07116 
1 1 1 2   13 47 o 39.187   15.874  11.311     16.890  29.597     22.591  -11.8626   25.432  52.084  19.048  35.432  16.562  16.65194       25.24150 
1 1 1 2   13 48 o 40.274   16.002  13.509     16.820  -6.0374    22.519  38.174     25.297  34.961  16.076  56.757  20.235  -21.79562      25.84379 
1 1 1 2   14 0  o 78.500   12.557  56.832     16.632  52.756     19.303  68.579     32.770  74.683  15.316  82.895  22.197  -8.211891      26.96887 
1 1 1 2   14 1  f 77.530   12.584  55.483     16.452  54.941     19.086  57.051     32.455  76.401  14.842  75.825  22.722  0.5753250      27.13984 
1 1 1 2   14 2  o 23.279   10.435  -3.7033    8.7727  4.1011     9.7622  -36.4527   19.998  30.144  12.118  26.487  12.957  3.657310       17.74094 
1 1 1 2   14 3  o 187.524  10.896  315.854    35.523  309.253    41.028  335.621    70.996  184.567 12.810  185.387 22.386  -0.8199005     25.79196 
1 1 1 2   14 4  o 72.584   13.115  49.023     16.010  51.262     18.240  41.508     33.413  73.756  14.680  66.830  23.306  6.925888       27.54359 
1 1 1 2   14 5  o 226.284  12.893  464.773    50.729  409.765    61.973  576.486    88.316  209.425 17.097  244.831 20.858  -35.40605      26.96956 
1 1 1 2   14 6  o 148.860  12.495  201.470    32.177  196.012    39.372  212.448    55.838  145.129 15.792  146.770 22.507  -1.641296      27.49446 
1 1 1 2   14 7  o 88.550   14.742  73.450     21.991  66.702     26.479  88.455     39.483  82.720  18.764  92.983  24.115  -10.26305      30.55533 
1 1 1 2   14 8  o 149.423  13.026  203.913    33.645  180.572    41.208  250.590    58.274  138.164 17.472  160.218 21.363  -22.05438      27.59770 
1 1 1 2   14 9  o 209.595  13.073  400.308    47.604  343.189    58.116  516.778    82.988  190.756 17.648  231.166 20.782  -40.41003      27.26472 
1 1 1 2   14 10 o 109.971  11.502  110.001    21.759  93.892     25.000  160.320    44.186  100.230 14.724  128.108 20.440  -27.87834      25.19127 
1 1 1 2   14 11 o 30.669   13.609  -3.9459    14.532  -11.1095   18.145  8.8678     24.268  31.590  14.490  45.526  18.802  -13.93611      23.73774 
1 1 1 2   14 12 o 91.500   14.710  78.663     22.705  81.935     28.710  73.199     37.100  91.639  18.579  84.159  24.047  7.479736       30.38815 
1 1 1 2   14 13 o 88.564   15.707  74.591     23.399  68.159     29.551  85.404     38.313  82.448  20.589  90.763  23.860  -8.315865      31.51556 
1 1 1 2   14 14 o 41.970   16.409  11.308     17.432  25.713     24.080  -4.5531    25.268  54.480  19.705  40.454  17.949  14.02666       26.65394 
1 1 1 2   14 15 o 39.039   16.131  5.9207     17.877  9.4766     23.939  1.4372     26.881  45.374  18.700  43.900  19.016  1.473160       26.67031 
1 1 1 2   14 16 o 148.703  13.626  204.585    34.985  187.660    43.405  235.972    59.107  139.333 18.282  152.543 22.898  -13.21095      29.30156 
1 1 1 2   14 17 o 120.448  14.108  135.480    29.109  104.545    35.221  202.144    51.704  102.040 20.480  141.897 21.545  -39.85683      29.72602 
1 1 1 2   14 18 o 215.599  12.643  426.604    47.386  369.291    57.383  549.470    84.018  196.868 16.856  235.644 20.628  -38.77592      26.63890 
1 1 1 2   14 19 o 130.041  12.805  156.438    28.699  118.177    34.109  249.178    53.103  109.601 18.481  158.963 19.544  -49.36190      26.89776 
1 1 1 2   14 20 o 274.816  13.402  697.756    64.311  580.061    78.167  944.328    113.140 244.134 18.474  306.755 21.254  -62.62149      28.16082 
1 1 1 2   14 21 o 256.541  17.432  635.304    77.623  635.304    77.623  0.0000     0.0000  256.541 17.432  ?       ?       0.000000       17.43233 
1 1 1 2   14 22 o 91.660   18.301  83.978     28.265  83.978     28.265  0.0000     0.0000  91.660  18.301  ?       ?       0.000000       18.30128 
1 1 1 2   14 23 o 71.008   19.812  52.039     25.495  52.039     25.495  0.0000     0.0000  71.008  19.812  ?       ?       0.000000       19.81163 
1 1 1 2   14 24 o 41.631   17.285  7.9097     20.669  7.9097     20.669  0.0000     0.0000  41.631  17.285  ?       ?       0.000000       17.28544 
1 1 1 2   14 25 o 39.809   15.793  10.165     16.361  22.279     20.312  -12.2126   27.608  49.799  18.085  38.842  17.838  10.95701       25.40151 
1 1 1 2   14 26 o 172.561  13.221  279.956    39.533  255.900    48.876  325.472    67.232  160.513 17.735  175.095 22.512  -14.58205      28.65896 
1 1 1 2   14 27 o 46.441   16.883  19.134     17.711  10.597     22.139  34.307     29.515  43.610  17.979  58.922  21.738  -15.31202      28.20974 
1 1 1 2   14 28 o 98.364   15.596  95.188     25.892  72.517     32.349  135.605    43.191  80.990  22.210  111.002 23.039  -30.01163      32.00076 
1 1 1 2   14 29 o 50.627   17.531  24.838     18.889  16.832     22.966  41.577     33.209  47.017  18.693  62.620  23.065  -15.60294      29.68854 
1 1 1 2   14 30 o 83.438   21.149  76.504     30.852  76.504     30.852  0.0000     0.0000  83.438  21.149  ?       ?       0.000000       21.14881 
1 1 1 2   14 31 o 43.684   17.790  12.719     21.346  12.719     21.346  0.0000     0.0000  43.684  17.790  ?       ?       0.000000       17.79027 
1 1 1 2   14 32 o 76.150   16.534  59.584     21.354  67.872     25.985  42.347     37.477  79.586  18.968  62.206  24.132  17.37982       30.69435 
1 1 1 2   14 33 o 66.471   17.460  46.708     20.527  28.505     25.209  82.524     35.361  53.428  20.014  83.489  23.346  -30.06176      30.75029 
1 1 1 2   14 34 o 105.159  16.533  113.268    29.355  159.285    49.623  88.497     36.409  114.111 25.542  85.880  23.567  28.23154       34.75359 
1 1 1 2   14 35 o 162.409  13.795  258.109    38.748  264.049    67.478  255.187    47.330  142.973 28.032  156.352 17.645  -13.37894      33.12323 
1 1 1 2   14 36 o 52.971   18.373  29.734     20.753  65.490     36.174  12.192     25.338  71.789  24.276  44.508  18.850  27.28127       30.73522 
1 1 1 2   14 37 o 35.027   15.090  3.4772     16.743  54.805     24.218  -43.5129   23.172  69.640  19.266  26.903  13.312  42.73642       23.41785 
1 1 1 2   14 38 o 46.173   17.033  21.062     18.121  7.8737     27.650  30.992     23.991  43.347  19.022  53.299  19.609  -9.952560      27.31889 
1 1 1 2   14 39 o 96.408   16.103  97.767     26.151  114.559    41.751  86.927     33.546  92.879  25.133  83.673  22.481  9.206657       33.72079 
1 1 1 2   14 40 o 26.577   12.408  -9.4685    14.204  -28.8826   19.194  14.034     21.118  26.010  12.718  42.481  17.542  -16.47140      21.66673 
1 1 1 2   14 41 o 68.782   21.371  59.837     28.371  0.0000     0.0000  59.837     28.371  ?       ?       68.782  21.371  0.000000       21.37083 
1 1 1 2   14 42 o 47.729   18.320  24.458     21.428  3.4269     35.985  36.011     26.672  43.963  20.255  54.394  20.543  -10.43058      28.84874 
1 1 1 2   15 0  o 59.682   16.371  35.653     17.573  31.443     22.458  42.301     28.221  56.384  19.128  63.752  21.443  -7.368313      28.73409 
1 1 1 2   15 1  o 98.029   16.103  94.368     26.605  100.808    37.137  87.578     38.134  96.573  22.450  88.506  24.049  8.066223       32.89908 
1 1 1 2   15 2  o 86.470   16.654  74.390     24.233  57.895     33.023  93.634     35.670  72.673  23.123  93.087  22.248  -20.41364      32.08862 
1 1 1 2   15 3  o 91.820   14.489  81.367     22.459  81.367     22.459  0.0000     0.0000  91.820  14.489  ?       ?       0.000000       14.48911 
1 1 1 2   15 4  o 40.771   14.964  13.779     13.961  13.779     13.961  0.0000     0.0000  40.771  14.964  ?       ?       0.000000       14.96412 
1 1 1 2   15 5  o 92.687   14.060  82.552     22.040  82.552     22.040  0.0000     0.0000  92.687  14.060  ?       ?       0.000000       14.05953 
1 1 1 2   15 6  o 38.630   14.498  11.656     13.241  -3.0640    15.039  62.391     27.921  31.107  13.822  76.542  20.487  -45.43446      24.71358 
1 1 1 2   15 7  o 42.309   14.972  15.833     13.823  17.438     15.578  9.8888     29.980  44.336  15.872  47.717  20.366  -3.380424      25.82066 
1 1 1 2   15 8  o 123.857  11.256  142.283    24.077  123.784    27.352  205.964    50.748  113.616 14.090  139.448 21.536  -25.83134      25.73573 
1 1 1 2   15 9  o 61.407   15.261  37.597     16.292  16.870     18.235  119.599    36.269  45.017  16.989  106.802 20.189  -61.78484      26.38598 
1 1 1 2   15 10 o 26.736   11.891  -2.8028    11.155  -3.9140    12.214  2.7858     27.391  27.453  12.309  43.323  18.974  -15.87026      22.61680 
1 1 1 2   15 11 f 128.777  11.406  154.400    25.381  139.386    28.844  205.902    53.421  120.480 13.971  136.968 23.163  -16.48779      27.05032 
1 1 1 2   15 12 o 34.397   13.823  6.7651     12.697  10.675     14.475  -6.2797    26.440  38.525  14.983  39.372  17.840  -0.8465881     23.29724 
1 1 1 2   15 13 o 150.297  11.148  209.871    29.046  183.937    33.557  287.338    57.998  138.203 14.104  164.935 20.587  -26.73132      24.95504 
1 1 1 2   15 14 o 41.725   14.832  15.577     13.581  11.795     15.716  26.729     26.987  40.002  15.597  53.575  20.560  -13.57353      25.80658 
1 1 1 2   15 15 f 50.572   16.830  25.380     17.388  25.380     17.388  0.0000     0.0000  50.572  16.830  ?       ?       0.000000       16.82957 
1 1 1 2   15 16 o 14.362   7.2648  -29.8201   8.9334  -29.8201   8.9334  0.0000     0.0000  14.362  7.2648  ?       ?       0.000000       7.264754 
1 1 1 2   15 17 f 41.106   16.427  11.844     17.824  11.844     17.824  0.0000     0.0000  41.106  16.427  ?       ?       0.000000       16.42748 
1 1 1 2   15 18 o 72.899   21.839  60.729     29.985  60.729     29.985  0.0000     0.0000  72.899  21.839  ?       ?       0.000000       21.83932 
1 1 1 2   15 19 o 74.758   17.777  59.090     22.865  77.400     28.013  22.535     39.580  84.539  19.390  54.541  23.343  29.99741       30.34599 
1 1 1 2   15 20 o 135.738  14.245  180.732    33.257  140.799    39.956  270.799    60.006  112.781 21.065  154.085 23.008  -41.30363      31.19449 
1 1 1 2   15 21 o 119.088  15.019  141.484    30.535  125.911    37.063  174.385    53.872  106.687 20.643  117.560 26.836  -10.87354      33.85649 
1 1 1 2   15 22 o 85.839   17.236  77.425     24.936  74.249     29.783  84.870     45.602  80.631  20.961  78.865  27.242  1.766365       34.37290 
1 1 1 2   15 23 o 53.836   19.840  30.527     24.576  30.527     24.576  0.0000     0.0000  53.836  19.840  ?       ?       0.000000       19.84000 
1 1 1 2   15 24 o 106.460  14.674  113.806    26.553  96.859     31.702  153.638    48.602  92.940  20.119  110.110 25.741  -17.17002      32.67031 
1 1 1 2   15 25 o 46.278   17.546  20.318     19.506  6.8183     22.841  56.682     37.487  40.681  17.576  66.416  24.499  -25.73481      30.15149 
1 1 1 2   15 26 o 101.739  13.393  102.528    23.214  114.553    31.885  88.965     33.862  102.503 18.496  85.664  22.389  16.83929       29.04097 
1 1 1 2   15 27 o 89.413   13.792  80.278     20.840  59.355     29.448  101.269    29.495  69.550  21.799  96.245  18.219  -26.69452      28.41010 
1 1 1 2   15 28 o 61.649   16.174  40.947     17.627  31.790     24.577  50.648     25.295  53.427  19.811  65.358  20.158  -11.93117      28.26369 
1 1 1 2   15 29 o 37.378   14.994  10.432     14.911  -9.0794    20.328  33.156     21.938  32.383  15.026  54.111  18.884  -21.72744      24.13247 
1 1 1 2   15 30 o 79.251   18.829  72.066     25.669  40.445     48.493  84.375     30.255  57.390  25.187  83.654  20.801  -26.26440      32.66655 
1 1 1 2   15 31 o 115.646  15.779  141.779    31.030  93.166     57.425  161.827    36.877  71.225  29.112  120.481 18.088  -49.25599      34.27391 
1 1 1 2   15 32 o 129.803  15.447  178.339    34.322  177.707    59.916  178.648    41.874  100.978 31.004  122.853 20.224  -21.87518      37.01764 
1 1 1 2   15 33 o 77.499   19.438  72.317     26.256  67.721     44.001  74.859     32.720  64.691  25.825  73.819  22.953  -9.128464      34.55110 
1 1 1 2   15 34 o 52.278   17.095  31.587     17.970  42.868     23.749  16.475     27.486  58.359  19.670  44.540  19.261  13.81822       27.53036 
1 1 1 2   16 0  o 108.702  11.971  114.520    22.345  80.016     25.618  224.262    45.688  85.852  17.679  143.169 18.725  -57.31744      25.75181 
1 1 1 2   16 1  o 108.460  11.632  113.434    21.685  103.394    25.206  142.025    42.537  100.739 14.769  107.734 23.291  -6.995461      27.57883 
1 1 1 2   16 2  o 151.794  13.828  229.643    36.249  214.571    45.135  257.030    60.839  139.478 19.029  142.029 25.468  -2.550323      31.79233 
1 1 1 2   16 3  o 174.351  12.814  297.624    38.735  295.374    47.278  302.218    67.559  168.260 16.297  152.372 26.346  15.88757       30.97894 
1 1 1 2   16 4  o 43.407   15.014  18.725     13.853  21.411     16.631  12.640     25.037  46.013  16.407  43.893  18.670  2.119587       24.85500 
1 1 1 2   16 5  o 83.732   14.213  71.285     20.037  71.595     23.902  70.554     36.746  81.134  17.395  72.421  24.468  8.712715       30.02058 
1 1 1 2   16 6  o 110.321  13.318  121.098    25.136  111.822    30.447  140.951    44.544  101.335 17.860  104.505 24.786  -3.169373      30.55075 
1 1 1 2   16 7  o 62.492   16.680  42.587     18.540  50.855     21.502  18.628     36.601  67.383  17.952  49.878  21.887  17.50494       28.30742 
1 1 1 2   16 8  o 115.398  16.752  141.801    32.768  141.801    32.768  0.0000     0.0000  115.398 16.752  ?       ?       0.000000       16.75185 
1 1 1 2   16 9  o 79.929   18.360  71.741     25.084  71.741     25.084  0.0000     0.0000  79.929  18.360  ?       ?       0.000000       18.35961 
1 1 1 2   16 10 o 62.387   18.615  44.851     21.816  44.851     21.816  0.0000     0.0000  62.387  18.615  ?       ?       0.000000       18.61453 
1 1 1 2   16 11 o 65.903   18.649  50.173     22.424  50.173     22.424  0.0000     0.0000  65.903  18.649  ?       ?       0.000000       18.64875 
1 1 1 2   16 12 o 40.545   15.805  14.517     16.137  14.517     16.137  0.0000     0.0000  40.545  15.805  ?       ?       0.000000       15.80539 
1 1 1 2   16 13 o 44.279   15.750  20.065     15.317  15.622     17.337  35.866     32.698  41.652  16.342  54.825  22.129  -13.17270      27.50936 
1 1 1 2   16 14 o 35.554   14.535  8.5632     14.318  0.5157     15.973  41.457     32.294  32.360  14.318  57.154  22.337  -24.79370      26.53231 
1 1 1 2   16 15 o 50.165   16.805  27.828     17.333  21.879     20.426  43.131     32.760  46.174  17.843  57.652  22.507  -11.47789      28.72150 
1 1 1 2   16 16 o 48.025   16.499  25.168     16.716  25.367     19.348  24.581     33.195  48.150  17.625  49.700  21.327  -1.550030      27.66740 
1 1 1 2   16 17 o 38.006   15.211  11.852     15.306  -11.8567   17.771  79.991     30.126  28.937  13.627  79.454  21.286  -50.51617      25.27442 
1 1 1 2   16 18 o 55.966   16.232  35.187     16.788  34.131     19.097  38.780     35.226  54.176  17.619  54.741  22.634  -0.5649300     28.68273 
1 1 1 2   16 19 o 35.063   14.313  8.8278     13.858  2.2907     15.562  33.882     30.465  32.538  14.275  52.424  21.290  -19.88550      25.63274 
1 1 1 2   16 20 o 35.667   14.355  9.9981     13.714  14.843     15.580  -6.6752    28.902  39.788  15.525  37.607  17.604  2.181137       23.47135 
1 1 1 2   16 21 o 29.767   12.831  2.7200     12.119  4.1084     13.605  -2.6149    26.669  31.815  13.653  37.426  17.311  -5.610477      22.04692 
1 1 1 2   16 22 o 61.738   18.743  47.404     21.977  48.995     27.206  44.417     37.285  59.941  21.023  55.222  23.096  4.719448       31.23098 
1 1 1 3   0  0  o 636.354  26.855  3562.91    297.179 3562.91    297.179 3562.91    297.179 636.354 26.855  636.354 26.855  0.000000       0.000000 
1 1 1 3   0  1  o 181.892  14.391  294.431    45.046  294.431    45.046  294.431    45.046  181.892 14.391  181.892 14.391  0.000000       0.000000 
1 1 1 3   0  2  o 1141.78  44.736  11512.28   888.764 11512.28   888.764 11512.28   888.764 1141.78 44.736  1141.78 44.736  0.000000       0.000000 
1 1 1 3   0  3  o 402.492  19.556  1426.18    136.695 1426.18    136.695 1426.18    136.695 402.492 19.556  402.492 19.556  0.000000       0.000000 
1 1 1 3   0  4  o 210.572  14.876  393.168    54.067  393.168    54.067  393.168    54.067  210.572 14.876  210.572 14.876  0.000000       0.000000 
1 1 1 3   0  5  o 252.214  22.644  569.645    97.871  569.645    97.871  569.645    97.871  252.214 22.644  252.214 22.644  0.000000       0.000000 
1 1 1 3   0  6  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 3   0  7  o 1452.14  81.232  19018.12   2044.94 19018.12   2044.94 19018.12   2044.94 1452.14 81.232  1452.14 81.232  0.000000       0.000000 
1 1 1 3   0  8  o 259.453  22.860  602.363    101.710 602.363    101.710 602.363    101.710 259.453 22.860  259.453 22.860  0.000000       0.000000 
1 1 1 3   0  9  o 196.133  21.312  348.117    70.800  348.117    70.800  348.117    70.800  196.133 21.312  196.133 21.312  0.000000       0.000000 
1 1 1 3   0  10 o 868.201  50.009  6708.23    752.354 6708.23    752.354 6708.23    752.354 868.201 50.009  868.201 50.009  0.000000       0.000000 
1 1 1 3   0  11 f 1020.71  57.934  9301.56    1024.91 9301.56    1024.91 9301.56    1024.91 1020.71 57.934  1020.71 57.934  0.000000       0.000000 
1 1 1 3   0  12 o 1149.53  64.812  11839.41   1291.44 11839.41   1291.44 11839.41   1291.44 1149.53 64.812  1149.53 64.812  0.000000       0.000000 
1 1 1 3   0  13 f 1161.88  45.416  11940.18   918.169 11940.18   918.169 11940.18   918.169 1161.88 45.416  1161.88 45.416  0.000000       0.000000 
1 1 1 3   0  14 o 1951.78  75.819  34234.14   2575.04 34234.14   2575.04 34234.14   2575.04 1951.78 75.819  1951.78 75.819  0.000000       0.000000 
1 1 1 3   0  15 o 743.279  30.558  4867.97    395.064 4867.97    395.064 4867.97    395.064 743.279 30.558  743.279 30.558  0.000000       0.000000 
1 1 1 3   0  16 o 667.260  27.965  3921.96    324.513 3921.96    324.513 3921.96    324.513 667.260 27.965  667.260 27.965  0.000000       0.000000 
1 1 1 3   0  17 f 555.043  24.270  2712.93    234.188 2712.93    234.188 2712.93    234.188 555.043 24.270  555.043 24.270  0.000000       0.000000 
1 1 1 3   0  18 o 289.109  16.589  737.970    83.113  737.970    83.113  737.970    83.113  289.109 16.589  289.109 16.589  0.000000       0.000000 
1 1 1 3   0  19 o 115.290  13.989  121.199    27.056  121.199    27.056  121.199    27.056  115.290 13.989  115.290 13.989  0.000000       0.000000 
1 1 1 3   0  20 o 549.480  34.544  2686.90    328.424 2686.90    328.424 2686.90    328.424 549.480 34.544  549.480 34.544  0.000000       0.000000 
1 1 1 3   0  21 o 410.429  28.441  1499.94    201.575 1499.94    201.575 1499.94    201.575 410.429 28.441  410.429 28.441  0.000000       0.000000 
1 1 1 3   0  22 o 468.097  30.921  1952.13    250.194 1952.13    250.194 1952.13    250.194 468.097 30.921  468.097 30.921  0.000000       0.000000 
1 1 1 3   0  23 o 449.625  21.016  1783.29    164.170 1783.29    164.170 1783.29    164.170 449.625 21.016  449.625 21.016  0.000000       0.000000 
1 1 1 3   0  24 o 488.193  22.199  2103.45    188.340 2103.45    188.340 2103.45    188.340 488.193 22.199  488.193 22.199  0.000000       0.000000 
1 1 1 3   0  25 o 136.490  14.010  168.053    32.583  168.053    32.583  168.053    32.583  136.490 14.010  136.490 14.010  0.000000       0.000000 
1 1 1 3   0  26 o 40.220   16.312  19.707     11.220  19.707     11.220  19.707     11.220  40.220  16.312  40.220  16.312  0.000000       0.000000 
1 1 1 3   0  27 o 98.234   14.514  89.790     23.298  89.790     23.298  89.790     23.298  98.234  14.514  98.234  14.514  0.000000       0.000000 
1 1 1 3   0  28 o 201.391  14.782  360.827    51.337  360.827    51.337  360.827    51.337  201.391 14.782  201.391 14.782  0.000000       0.000000 
1 1 1 3   0  29 o 266.263  16.138  628.074    74.396  628.074    74.396  628.074    74.396  266.263 16.138  266.263 16.138  0.000000       0.000000 
1 1 1 3   0  30 o 433.846  20.352  1664.32    153.396 1664.32    153.396 1664.32    153.396 433.846 20.352  433.846 20.352  0.000000       0.000000 
1 1 1 3   0  31 o 402.737  28.306  1453.93    196.790 1453.93    196.790 1453.93    196.790 402.737 28.306  402.737 28.306  0.000000       0.000000 
1 1 1 3   0  32 o 376.522  27.240  1270.45    176.933 1270.45    176.933 1270.45    176.933 376.522 27.240  376.522 27.240  0.000000       0.000000 
1 1 1 3   0  33 o 628.408  38.706  3559.63    421.006 3559.63    421.006 3559.63    421.006 628.408 38.706  628.408 38.706  0.000000       0.000000 
1 1 1 3   0  34 o 642.276  39.365  3717.04    437.664 3717.04    437.664 3717.04    437.664 642.276 39.365  642.276 39.365  0.000000       0.000000 
1 1 1 3   0  35 o 47.704   18.423  27.180     14.563  27.180     14.563  27.180     14.563  47.704  18.423  47.704  18.423  0.000000       0.000000 
1 1 1 3   0  36 o 96.226   15.071  86.750     23.469  86.750     23.469  86.750     23.469  96.226  15.071  96.226  15.071  0.000000       0.000000 
1 1 1 3   0  37 o 52.259   18.263  31.276     15.082  31.276     15.082  31.276     15.082  52.259  18.263  52.259  18.263  0.000000       0.000000 
1 1 1 3   0  38 o 196.068  14.788  342.097    49.963  342.097    49.963  342.097    49.963  196.068 14.788  196.068 14.788  0.000000       0.000000 
1 1 1 3   0  39 o 566.791  24.419  2838.27    240.643 2838.27    240.643 2838.27    240.643 566.791 24.419  566.791 24.419  0.000000       0.000000 
1 1 1 3   0  40 o 317.779  16.716  891.572    92.163  891.572    92.163  891.572    92.163  317.779 16.716  317.779 16.716  0.000000       0.000000 
1 1 1 3   0  41 o 40.556   19.713  21.200     16.374  21.200     16.374  21.200     16.374  40.556  19.713  40.556  19.713  0.000000       0.000000 
1 1 1 3   0  42 o 54.926   21.601  36.334     19.875  36.334     19.875  36.334     19.875  54.926  21.601  54.926  21.601  0.000000       0.000000 
1 1 1 3   0  43 o 309.701  24.866  859.391    132.474 859.391    132.474 859.391    132.474 309.701 24.866  309.701 24.866  0.000000       0.000000 
1 1 1 3   0  44 o 148.421  22.553  206.230    54.447  206.230    54.447  206.230    54.447  148.421 22.553  148.421 22.553  0.000000       0.000000 
1 1 1 3   0  45 o 454.997  30.603  1853.08    240.603 1853.08    240.603 1853.08    240.603 454.997 30.603  454.997 30.603  0.000000       0.000000 
1 1 1 3   0  46 o 642.548  26.391  3656.25    294.954 3656.25    294.954 3656.25    294.954 642.548 26.391  642.548 26.391  0.000000       0.000000 
1 1 1 3   0  47 o 341.196  17.447  1028.64    103.323 1028.64    103.323 1028.64    103.323 341.196 17.447  341.196 17.447  0.000000       0.000000 
1 1 1 3   0  48 o 733.946  29.748  4788.22    379.806 4788.22    379.806 4788.22    379.806 733.946 29.748  733.946 29.748  0.000000       0.000000 
1 1 1 3   0  49 o 404.582  18.428  1445.64    129.564 1445.64    129.564 1445.64    129.564 404.582 18.428  404.582 18.428  0.000000       0.000000 
1 1 1 3   0  50 o 85.209   23.198  76.357     29.836  76.357     29.836  76.357     29.836  85.209  23.198  85.209  23.198  0.000000       0.000000 
1 1 1 3   0  51 o 634.237  25.798  3572.38    284.616 3572.38    284.616 3572.38    284.616 634.237 25.798  634.237 25.798  0.000000       0.000000 
1 1 1 3   0  52 o 28.359   19.028  -10.2624   26.485  -10.2624   26.485  -10.2624   26.485  28.359  19.028  28.359  19.028  0.000000       0.000000 
1 1 1 3   0  53 o 140.846  20.301  185.056    46.912  185.056    46.912  185.056    46.912  140.846 20.301  140.846 20.301  0.000000       0.000000 
1 1 1 3   0  54 o 302.038  27.973  831.341    144.614 831.341    144.614 831.341    144.614 302.038 27.973  302.038 27.973  0.000000       0.000000 
1 1 1 3   0  55 o 305.395  27.564  850.136    144.230 850.136    144.230 850.136    144.230 305.395 27.564  305.395 27.564  0.000000       0.000000 
1 1 1 3   0  56 o 224.230  26.512  465.800    99.984  465.800    99.984  465.800    99.984  224.230 26.512  224.230 26.512  0.000000       0.000000 
1 1 1 3   0  57 o 151.292  33.372  232.553    77.116  232.553    77.116  232.553    77.116  151.292 33.372  151.292 33.372  0.000000       0.000000 
1 1 1 3   0  58 o 168.833  28.855  276.516    77.603  276.516    77.603  276.516    77.603  168.833 28.855  168.833 28.855  0.000000       0.000000 
1 1 1 3   0  59 o 341.125  26.749  1067.08    157.071 1067.08    157.071 1067.08    157.071 341.125 26.749  341.125 26.749  0.000000       0.000000 
1 1 1 3   0  60 o 188.853  23.306  333.632    73.709  333.632    73.709  333.632    73.709  188.853 23.306  188.853 23.306  0.000000       0.000000 
1 1 1 3   0  61 o 188.628  23.388  334.295    73.843  334.295    73.843  334.295    73.843  188.628 23.388  188.628 23.388  0.000000       0.000000 
1 1 1 3   0  62 o 37.262   21.894  15.033     24.095  15.033     24.095  15.033     24.095  37.262  21.894  37.262  21.894  0.000000       0.000000 
1 1 1 3   0  63 o 82.199   26.600  77.565     33.744  77.565     33.744  77.565     33.744  82.199  26.600  82.199  26.600  0.000000       0.000000 
1 1 1 3   0  64 o 64.566   29.570  56.498     36.383  56.498     36.383  56.498     36.383  64.566  29.570  64.566  29.570  0.000000       0.000000 
1 1 1 3   0  65 o 130.018  26.719  173.791    53.590  173.791    53.590  173.791    53.590  130.018 26.719  130.018 26.719  0.000000       0.000000 
1 1 1 3   0  66 o 40.851   24.178  19.116     29.769  19.116     29.769  19.116     29.769  40.851  24.178  40.851  24.178  0.000000       0.000000 
1 1 1 3   0  67 o 62.454   26.579  51.823     29.467  51.823     29.467  51.823     29.467  62.454  26.579  62.454  26.579  0.000000       0.000000 
1 1 1 3   0  68 o 13.989   10.230  -37.6422   15.527  -37.6422   15.527  -37.6422   15.527  13.989  10.230  13.989  10.230  0.000000       0.000000 
1 1 1 3   0  69 o 41.616   23.302  23.606     25.425  23.606     25.425  23.606     25.425  41.616  23.302  41.616  23.302  0.000000       0.000000 
1 1 1 3   0  70 o 28.620   18.594  1.0954     22.257  1.0954     22.257  1.0954     22.257  28.620  18.594  28.620  18.594  0.000000       0.000000 
1 1 1 3   0  71 o 54.559   25.984  43.345     28.288  43.345     28.288  43.345     28.288  54.559  25.984  54.559  25.984  0.000000       0.000000 
1 1 1 3   0  72 o 83.305   25.123  82.381     31.865  82.381     31.865  82.381     31.865  83.305  25.123  83.305  25.123  0.000000       0.000000 
1 1 1 3   0  73 o 141.124  17.395  195.291    41.116  195.291    41.116  195.291    41.116  141.124 17.395  141.124 17.395  0.000000       0.000000 
1 1 1 3   0  74 o 74.356   35.154  94.725     51.680  94.725     51.680  94.725     51.680  74.356  35.154  74.356  35.154  0.000000       0.000000 
1 1 1 3   0  75 o 41.826   27.147  19.021     47.293  19.021     47.293  19.021     47.293  41.826  27.147  41.826  27.147  0.000000       0.000000 
1 1 1 3   0  76 o 64.267   33.659  80.020     49.720  80.020     49.720  80.020     49.720  64.267  33.659  64.267  33.659  0.000000       0.000000 
1 1 1 3   1  0  o 677.304  19.948  4016.37    235.913 4087.99    333.633 3944.76    333.629 682.378 28.002  670.248 28.508  12.12915       39.95980 
1 1 1 3   1  1  o 508.115  18.383  2259.49    163.092 2389.05    282.470 2194.70    199.750 520.376 31.232  500.446 22.860  19.93021       38.70435 
1 1 1 3   1  2  o 610.841  18.303  3265.43    195.212 3107.39    276.067 3423.48    276.077 595.079 26.569  624.760 25.308  -29.68024      36.69336 
1 1 1 3   1  3  o 566.354  19.811  2808.35    195.915 2959.33    239.951 2506.44    339.318 581.025 23.652  531.962 36.757  49.06287       43.70881 
1 1 1 3   1  4  o 502.096  18.192  2206.30    159.488 2088.67    195.330 2441.59    276.250 488.179 22.915  526.218 30.192  -38.03912      37.90354 
1 1 1 3   1  5  o 760.380  25.085  5071.43    333.052 4876.18    407.901 5461.93    576.869 744.618 31.373  784.655 42.261  -40.03729      52.63330 
1 1 1 3   1  6  o 216.217  12.068  409.864    45.379  399.290    55.580  431.008    78.593  213.149 15.030  220.883 20.616  -7.733948      25.51324 
1 1 1 3   1  7  o 738.706  29.953  4796.92    386.339 4319.66    546.352 5274.23    546.380 696.573 45.164  771.318 40.714  -74.74536      60.80599 
1 1 1 3   1  8  o 1443.27  56.231  18635.73   1417.05 19419.17   2004.01 17852.29   2004.01 1454.28 79.219  1390.99 82.888  63.28857       114.6562 
1 1 1 3   1  9  o 148.174  10.888  192.896    27.972  118.906    48.424  229.948    34.268  114.220 24.976  161.737 12.224  -47.51685      27.80756 
1 1 1 3   1  10 o 1255.34  39.568  13933.90   867.302 12804.64   1502.19 14498.56   1062.23 1183.60 73.044  1276.91 47.643  -93.30872      87.20827 
1 1 1 3   1  11 o 643.785  19.000  3629.33    213.579 3728.85    302.050 3529.82    302.044 651.617 26.548  633.882 27.290  17.73444       38.07226 
1 1 1 3   1  12 o 607.908  17.945  3235.28    190.477 3513.18    269.387 2957.43    269.364 632.739 24.383  580.260 26.586  52.47906       36.07434 
1 1 1 3   1  13 o 788.890  22.425  5457.74    308.894 5107.15    436.833 5808.37    436.851 761.178 32.867  812.226 30.803  -51.04797      45.04549 
1 1 1 3   1  14 o 1152.01  31.678  11695.00   637.211 12159.03   901.156 11230.98   901.148 1169.55 44.128  1123.18 45.950  46.36401       63.70790 
1 1 1 3   1  15 o 506.180  15.866  2242.39    140.232 2165.30    198.307 2319.49    198.328 496.747 22.863  514.216 22.089  -17.46902      31.79076 
1 1 1 3   1  16 o 649.567  19.182  3697.63    217.562 3769.47    307.681 3625.79    307.679 654.651 26.917  641.959 27.449  12.69226       38.44452 
1 1 1 3   1  17 o 638.737  18.923  3575.83    211.046 3578.11    298.462 3573.55    298.466 637.689 26.805  637.279 26.823  0.4098511      37.92057 
1 1 1 3   1  18 o 104.064  9.3272  95.399     16.768  91.077     23.669  99.753     23.758  101.101 13.766  105.982 13.119  -4.881096      19.01594 
1 1 1 3   1  19 o 319.039  13.879  890.815    77.316  827.076    94.680  1018.39    133.950 306.666 17.758  339.676 22.716  -33.01016      28.83300 
1 1 1 3   1  20 o 530.086  23.359  2471.81    216.204 2429.35    305.771 2514.26    305.748 522.355 33.705  531.623 33.102  -9.267822      47.24154 
1 1 1 3   1  21 o 504.217  22.525  2237.00    198.311 2130.09    280.450 2343.91    280.457 488.770 33.056  513.315 31.443  -24.54434      45.62157 
1 1 1 3   1  22 o 408.672  19.631  1467.72    140.085 1469.27    198.109 1466.17    198.110 406.567 28.079  406.130 28.110  0.4370422      39.73135 
1 1 1 3   1  23 o 649.948  22.164  3722.39    251.527 3903.10    308.070 3361.08    435.619 664.198 26.564  609.482 41.175  54.71625       49.00045 
1 1 1 3   1  24 o 666.023  19.510  3903.33    226.882 4188.92    320.876 3617.79    320.842 687.594 26.726  638.255 28.790  49.33978       39.28286 
1 1 1 3   1  25 o 695.795  20.295  4266.62    246.563 4234.13    348.685 4299.11    348.699 689.805 28.950  695.178 28.727  -5.373230      40.78402 
1 1 1 3   1  26 o 757.851  21.892  5074.57    289.690 5050.81    409.683 5098.33    409.685 751.465 31.223  755.078 31.074  -3.612854      44.05072 
1 1 1 3   1  27 o 195.114  11.802  334.818    40.018  325.821    48.999  352.840    69.352  192.069 14.723  198.943 20.247  -6.873260      25.03406 
1 1 1 3   1  28 o 199.890  11.714  351.398    40.706  352.114    49.888  349.971    70.410  199.722 14.402  197.964 20.675  1.758667       25.19684 
1 1 1 3   1  29 f 426.238  16.132  1598.59    120.064 1628.35    147.073 1539.14    207.887 429.386 19.617  413.732 28.960  15.65338       34.97812 
1 1 1 3   1  30 f 465.694  21.530  1920.45    175.064 0.0000     0.0000  1920.45    175.064 ?       ?       465.694 21.530  0.000000       21.52956 
1 1 1 3   1  31 o 453.355  20.765  1818.11    164.374 0.0000     0.0000  1818.11    164.374 ?       ?       453.355 20.765  0.000000       20.76500 
1 1 1 3   1  32 o 188.855  14.289  315.009    46.771  282.806    66.002  347.490    66.286  177.477 21.754  197.478 19.478  -20.00075      29.19969 
1 1 1 3   1  33 o 488.913  32.058  2155.71    272.153 0.0000     0.0000  2155.71    272.153 ?       ?       488.913 32.058  0.000000       32.05753 
1 1 1 3   1  34 f 253.315  15.347  565.762    67.561  632.756    95.870  499.667    95.225  266.913 20.734  236.415 23.374  30.49750       31.24490 
1 1 1 3   1  35 o 357.840  12.412  1122.16    77.550  1172.76    109.544 1071.31    109.802 365.190 17.179  348.439 18.110  16.75128       24.96209 
1 1 1 3   1  36 o 190.371  9.7847  317.918    32.415  325.497    45.624  310.191    46.062  192.202 13.684  187.541 14.171  4.660568       19.69960 
1 1 1 3   1  37 o 377.326  13.022  1247.57    85.792  1272.10    121.256 1222.98    121.400 380.344 18.258  372.400 18.730  7.943970       26.15689 
1 1 1 3   1  38 o 230.162  10.543  463.573    42.369  503.921    59.771  422.820    60.069  239.304 14.371  218.932 15.820  20.37280       21.37315 
1 1 1 3   1  39 o 434.747  14.139  1656.99    107.327 1632.47    151.708 1681.56    151.858 430.589 20.178  437.066 19.899  -6.476959      28.33946 
1 1 1 3   1  40 o 277.113  10.688  672.019    51.713  551.433    72.165  799.301    74.142  250.059 16.623  301.957 14.062  -51.89722      21.77304 
1 1 1 3   1  41 o 588.392  20.092  3048.31    206.419 2929.73    252.680 3286.21    357.897 575.455 25.148  605.280 34.002  -29.82507      42.29099 
1 1 1 3   1  42 f 731.926  24.242  4736.56    309.809 4717.73    379.409 4774.23    536.687 728.113 29.843  724.262 42.627  3.850952       52.03509 
1 1 1 3   1  43 o 637.580  21.575  3585.86    240.184 3774.69    294.215 3208.58    415.869 652.703 25.816  594.323 40.313  58.38062       47.87074 
1 1 1 3   1  44 o 398.666  19.466  1399.73    135.501 1351.08    191.546 1448.46    191.709 388.795 28.412  402.947 27.411  -14.15182      39.47933 
1 1 1 3   1  45 o 364.814  14.476  1167.75    92.211  1009.34    158.924 1248.15    113.217 335.974 27.328  376.774 17.209  -40.79968      32.29486 
1 1 1 3   1  46 o 180.247  11.576  285.752    36.240  203.846    60.923  330.607    45.084  149.922 24.089  193.707 13.412  -43.78485      27.57104 
1 1 1 3   1  47 o 468.916  14.889  1930.79    121.905 1967.86    172.208 1893.56    172.592 472.079 20.892  462.964 21.351  9.114960       29.87169 
1 1 1 3   1  48 o 101.878  11.244  92.024     19.668  124.696    27.186  56.144     28.490  118.478 13.376  78.324  20.568  40.15372       24.53518 
1 1 1 3   1  49 o 145.156  10.674  185.548    26.864  191.157    37.366  179.547    38.650  146.777 14.781  142.026 15.856  4.751083       21.67689 
1 1 1 3   1  50 o 515.769  18.158  2346.16    163.526 2206.05    199.736 2630.99    284.783 498.630 22.941  540.553 30.295  -41.92377      38.00089 
1 1 1 3   1  51 o 218.179  15.895  421.232    60.137  421.232    60.137  0.0000     0.0000  218.179 15.895  ?       ?       0.000000       15.89502 
1 1 1 3   1  52 o 369.685  27.673  1232.07    177.333 1232.07    177.333 0.0000     0.0000  369.685 27.673  ?       ?       0.000000       27.67296 
1 1 1 3   1  53 o 66.490   25.669  26.552     42.242  118.578    53.437  -126.7639  68.973  112.728 27.413  49.437  24.159  63.29157       36.53915 
1 1 1 3   1  54 o ?        ?       -182.3072  11.428  0.0000     0.0000  -182.3072  11.428  ?       ?       ?       ?       0.000000       ?        
1 1 1 3   1  55 o 378.732  28.489  1306.32    187.017 0.0000     0.0000  1306.32    187.017 ?       ?       378.732 28.489  0.000000       28.48913 
1 1 1 3   1  56 o 119.939  18.068  130.418    36.665  80.891     47.261  205.287    58.108  93.440  27.273  149.714 22.961  -56.27409      35.65132 
1 1 1 3   1  57 o 129.384  14.175  149.574    31.498  126.394    37.263  207.590    58.952  117.746 18.754  150.252 23.219  -32.50617      29.84695 
1 1 1 3   1  58 o 127.141  11.742  143.606    25.772  162.808    35.677  122.652    37.270  134.646 15.455  115.702 19.116  18.94413       24.58183 
1 1 1 3   1  59 o 238.827  13.033  505.891    54.145  621.977    94.094  448.424    66.203  261.888 20.747  223.536 17.091  38.35193       26.88018 
1 1 1 3   1  60 o 204.400  12.732  371.278    45.215  430.472    82.180  345.580    54.147  216.531 22.044  196.186 15.945  20.34508       27.20577 
1 1 1 3   1  61 o 106.469  15.466  103.268    27.910  112.291    55.017  100.142    32.387  107.149 28.791  103.923 18.527  3.226006       34.23715 
1 1 1 3   1  62 o 116.482  14.691  123.120    29.215  147.466    56.821  114.371    34.063  122.837 27.209  111.103 18.188  11.73458       32.72845 
1 1 1 3   1  63 o 53.776   19.857  21.812     24.638  61.677     47.160  6.8466     28.895  81.594  27.718  48.878  20.378  32.71626       34.40252 
1 1 1 3   1  64 o 263.572  12.695  620.802    58.424  706.680    72.528  462.090    98.598  279.638 14.908  218.091 26.432  61.54744       30.34643 
1 1 1 3   1  65 o 57.265   19.169  29.216     22.553  36.868     32.735  22.302     31.116  65.039  23.037  56.880  22.010  8.159294       31.86162 
1 1 1 3   1  66 o 93.391   18.440  83.324     29.002  44.708     41.617  119.785    40.438  70.993  25.870  110.868 21.666  -39.87447      33.74424 
1 1 1 3   1  67 o 163.055  13.138  241.906    37.088  203.522    61.371  263.990    46.550  141.727 25.748  168.783 15.986  -27.05615      30.30722 
1 1 1 3   1  68 o 88.105   16.783  74.220     24.876  86.375     40.236  66.699     31.650  91.439  24.643  81.469  21.815  9.969933       32.91159 
1 1 1 3   1  69 f 74.388   16.492  53.500     20.858  58.830     29.960  48.487     29.057  76.258  21.548  69.708  21.622  6.549965       30.52586 
1 1 1 3   1  70 o 157.814  11.828  227.410    32.355  240.005    47.117  216.171    44.508  158.316 17.328  150.214 17.284  8.102234       24.47454 
1 1 1 3   1  71 o 46.761   16.892  18.624     17.689  -1.5348    26.072  35.818     24.078  41.797  18.403  60.412  19.790  -18.61549      27.02452 
1 1 1 3   1  72 o 40.345   16.324  8.9633     17.839  5.6783     25.647  12.042     24.831  44.153  18.841  46.526  19.095  -2.373383      26.82503 
1 1 1 3   1  73 o 49.483   19.516  18.473     24.848  19.527     48.174  18.092     29.003  59.194  25.549  51.181  20.777  8.013256       32.93134 
1 1 1 3   1  74 o 68.058   24.770  50.353     38.137  42.671     57.956  56.220     50.647  67.537  28.551  71.136  27.924  -3.599358      39.93619 
1 1 1 3   1  75 o 139.834  15.574  191.512    37.378  237.110    66.519  170.470    45.187  140.268 28.138  126.336 21.238  13.93246       35.25383 
1 1 1 3   1  76 o 68.232   20.436  51.173     26.258  42.244     30.845  74.677     50.046  62.165  22.325  75.807  28.238  -13.64266      35.99750 
1 1 1 3   2  0  o 514.755  18.417  2319.29    165.533 2384.42    202.746 2189.08    286.681 521.622 22.260  497.578 33.187  24.04453       39.96164 
1 1 1 3   2  1  o 418.361  16.083  1531.07    117.487 1503.09    143.898 1587.02    203.477 414.303 19.892  424.235 27.620  -9.932037      34.03720 
1 1 1 3   2  2  o 380.223  15.131  1264.38    100.457 1342.31    123.044 1108.59    173.968 391.622 17.994  354.128 28.373  37.49454       33.59815 
1 1 1 3   2  3  o 1265.64  40.173  14160.69   887.790 13828.60   1087.32 14824.86   1537.69 1246.49 49.958  1277.82 69.176  -31.33472      85.32935 
1 1 1 3   2  4  o 385.859  15.447  1302.28    104.073 1275.76    127.465 1355.33    180.254 381.234 19.210  392.048 26.487  -10.81326      32.72023 
1 1 1 3   2  5  o 423.811  14.142  1570.61    104.652 1668.94    148.006 1472.31    147.996 436.567 19.416  409.434 20.770  27.13358       28.43180 
1 1 1 3   2  6  o 919.370  29.648  7431.82    475.934 8218.27    824.360 7038.63    582.891 959.604 49.367  892.857 37.389  66.74719       61.92759 
1 1 1 3   2  7  o 835.193  27.101  6126.71    395.218 6714.78    684.554 5832.70    484.036 868.565 45.295  813.487 34.077  55.07800       56.68238 
1 1 1 3   2  8  o 1067.98  34.077  10055.08   635.451 9810.17    1100.62 10177.53   778.268 1042.37 60.735  1071.93 41.582  -29.56335      73.60581 
1 1 1 3   2  9  f 578.126  20.086  2928.06    202.760 2527.62    351.168 3128.32    248.338 533.483 37.947  597.150 23.818  -63.66711      44.80205 
1 1 1 3   2  10 o 163.056  11.296  233.490    31.963  251.727    39.151  197.040    55.349  169.145 13.365  148.319 22.043  20.82635       25.77780 
1 1 1 3   2  11 o 425.741  14.047  1585.29    104.420 1645.17    147.675 1525.42    147.669 433.343 19.517  417.215 20.271  16.12741       28.13910 
1 1 1 3   2  12 o 830.662  27.208  6066.40    394.630 5843.21    683.517 6177.99    483.323 807.674 48.695  836.870 33.076  -29.19592      58.86642 
1 1 1 3   2  13 o 597.730  17.908  3129.12    186.898 3157.94    264.313 3100.30    264.313 599.537 25.249  594.005 25.484  5.531677       35.87376 
1 1 1 3   2  14 o 682.391  19.911  4082.07    237.246 4292.03    335.522 3872.12    335.510 698.422 27.513  663.096 28.978  35.32635       39.95860 
1 1 1 3   2  15 o 188.919  9.9700  312.796    32.771  297.979    46.332  327.631    46.359  183.963 14.543  193.025 13.847  -9.061752      20.08039 
1 1 1 3   2  16 o 277.400  11.310  672.808    54.780  703.917    77.492  641.734    77.449  283.109 15.738  270.193 16.496  12.91635       22.79912 
1 1 1 3   2  17 o 396.254  13.506  1373.94    93.445  1461.44    132.164 1286.48    132.138 408.266 18.540  382.421 19.857  25.84515       27.16694 
1 1 1 3   2  18 o 312.207  13.823  853.188    75.353  874.953    92.292  809.669    130.503 315.526 16.813  302.256 24.951  13.26999       30.08658 
1 1 1 3   2  19 f 586.822  25.149  3034.66    257.683 3130.56    364.444 2938.79    364.394 592.325 35.400  573.412 36.586  18.91217       50.90838 
1 1 1 3   2  20 o 912.856  36.709  7436.84    585.106 7588.49    827.494 7285.21    827.435 910.718 52.256  891.378 53.409  19.33984       74.72118 
1 1 1 3   2  21 o 513.014  18.513  2311.91    165.830 2496.53    287.263 2219.63    203.087 529.239 31.224  501.797 23.179  27.44272       38.88719 
1 1 1 3   2  22 o 530.198  19.038  2471.82    176.244 2555.16    305.280 2430.17    215.848 534.355 32.879  524.718 23.559  9.636414       40.44822 
1 1 1 3   2  23 o 337.996  12.379  1000.67    73.055  998.642    103.308 1002.71    103.324 336.629 17.637  337.321 17.604  -0.6913757     24.91915 
1 1 1 3   2  24 o 127.945  10.858  144.339    24.028  124.638    29.335  184.497    41.883  118.317 14.503  143.900 16.997  -25.58241      22.34406 
1 1 1 3   2  25 o 543.518  19.366  2603.91    183.792 2709.73    225.115 2392.37    318.291 553.270 23.303  514.018 35.685  39.25183       42.61935 
1 1 1 3   2  26 f 251.710  10.961  554.970    48.174  577.242    68.147  532.722    68.110  255.859 15.325  245.652 15.966  10.20770       22.13034 
1 1 1 3   2  27 o 835.229  27.356  6223.74    398.955 6579.50    488.656 5512.54    690.904 854.819 32.739  763.471 52.139  91.34802       61.56598 
1 1 1 3   2  28 o 94.193   11.161  78.832     17.999  86.463     22.427  65.018     30.173  98.356  13.408  84.104  20.689  14.25183       24.65363 
1 1 1 3   2  29 o 352.552  14.752  1092.46    90.808  1090.51    157.258 1093.44    111.226 348.873 26.002  351.643 18.177  -2.769714      31.72603 
1 1 1 3   2  30 o 616.132  20.765  3358.36    223.397 3341.45    386.724 3366.83    273.679 605.170 36.773  614.862 25.492  -9.692688      44.74438 
1 1 1 3   2  31 o 344.120  14.223  1040.05    85.463  1066.45    147.473 1026.70    104.867 345.586 24.600  340.905 17.678  4.680817       30.29328 
1 1 1 3   2  32 o 230.937  11.816  468.670    47.488  505.069    58.380  397.484    81.643  239.451 14.024  210.708 22.540  28.74277       26.54722 
1 1 1 3   2  33 o 320.226  13.605  899.721    76.072  964.975    93.329  770.550    131.309 331.301 16.134  293.366 25.900  37.93503       30.51431 
1 1 1 3   2  34 o 68.293   15.003  42.538     17.402  42.538     17.402  0.0000     0.0000  68.293  15.003  ?       ?       0.000000       15.00319 
1 1 1 3   2  35 o 571.128  19.438  2872.41    193.844 3052.79    237.473 2512.25    335.566 587.734 23.140  527.200 36.682  60.53406       43.37107 
1 1 1 3   2  36 o 341.905  11.780  1023.69    70.328  938.723    99.269  1109.31    99.648  326.355 17.484  355.453 16.056  -29.09799      23.73763 
1 1 1 3   2  37 o 648.485  18.796  3699.13    212.825 3606.02    300.910 3792.32    301.049 637.726 27.023  654.238 26.354  -16.51184      37.74614 
1 1 1 3   2  38 o 277.451  10.528  673.630    51.003  579.804    71.002  773.663    73.313  256.533 15.930  297.061 14.134  -40.52832      21.29654 
1 1 1 3   2  39 o 656.649  18.420  3791.29    211.192 3364.12    298.375 4220.16    298.966 615.786 27.750  690.812 24.786  -75.02563      37.20771 
1 1 1 3   2  40 o 90.682   11.741  73.196     18.154  42.297     20.152  206.264    41.819  68.071  17.004  152.479 15.943  -84.40828      23.30928 
1 1 1 3   2  41 o 219.782  11.821  424.204    45.196  377.428    54.503  527.173    80.865  206.855 15.196  244.032 19.131  -37.17728      24.43233 
1 1 1 3   2  42 o 344.140  13.832  1038.38    83.113  1019.54    101.545 1076.60    144.664 340.193 17.150  348.150 23.943  -7.956818      29.45175 
1 1 1 3   2  43 o 158.950  10.481  222.088    28.925  204.939    39.928  241.029    41.962  152.056 15.244  165.100 14.710  -13.04387      21.18409 
1 1 1 3   2  44 o 179.968  11.962  284.968    37.374  222.352    61.151  322.303    47.220  157.007 22.987  191.153 14.250  -34.14587      27.04553 
1 1 1 3   2  45 o 367.048  18.204  1185.88    116.671 1089.00    163.973 1285.22    166.042 349.011 27.120  379.908 25.174  -30.89700      37.00298 
1 1 1 3   2  46 o 124.243  14.469  137.302    30.801  70.841     40.121  232.691    48.067  88.199  24.940  161.731 17.289  -73.53164      30.34658 
1 1 1 3   2  47 f 491.489  22.156  2137.16    190.140 2071.53    268.169 2203.52    269.635 479.377 32.225  494.879 31.367  -15.50180      44.97039 
1 1 1 3   2  48 o 358.530  12.809  1127.53    80.185  1163.56    113.012 1091.01    113.789 363.416 17.810  351.281 18.618  12.13522       25.76467 
1 1 1 3   2  49 o 359.240  14.287  1133.71    89.614  899.339    152.968 1256.17    110.576 316.042 28.010  377.704 16.767  -61.66251      32.64499 
1 1 1 3   2  50 o 209.341  15.941  387.944    57.830  349.837    80.398  428.797    83.245  197.003 23.859  218.828 22.089  -21.82510      32.51444 
1 1 1 3   2  51 o 102.666  27.554  97.706     50.426  0.0000     0.0000  97.706     50.426  ?       ?       102.666 27.554  0.000000       27.55396 
1 1 1 3   2  52 o 363.021  15.392  1160.84    97.562  1165.21    168.513 1158.64    119.656 359.454 27.047  361.348 19.032  -1.893829      33.07201 
1 1 1 3   2  53 f 673.748  23.333  4051.96    274.489 4737.79    475.703 3709.64    336.083 714.579 38.265  640.032 30.073  74.54645       48.66848 
1 1 1 3   2  54 o 207.909  11.375  380.705    41.136  339.710    57.102  424.932    59.310  195.295 16.913  218.874 15.622  -23.57957      23.02335 
1 1 1 3   2  55 o 268.825  13.349  636.566    62.661  575.354    75.875  767.854    111.120 254.279 17.190  292.292 21.933  -38.01361      27.86651 
1 1 1 3   2  56 o 295.537  13.223  770.007    68.234  717.886    82.595  882.044    121.096 284.065 16.726  312.787 22.319  -28.72198      27.89100 
1 1 1 3   2  57 o 291.387  12.742  748.927    64.830  634.339    77.775  1009.80    117.352 266.672 16.789  335.237 20.142  -68.56540      26.22138 
1 1 1 3   2  58 o 291.800  12.531  751.849    63.846  633.684    76.398  1025.49    116.259 266.308 16.511  337.414 19.820  -71.10583      25.79671 
1 1 1 3   2  59 o 296.653  11.506  776.745    59.597  722.420    83.106  834.262    85.512  283.871 16.842  305.462 16.089  -21.59161      23.29215 
1 1 1 3   2  60 o 34.417   14.984  -2.5846    16.857  -12.5869   20.736  16.906     28.946  34.335  15.651  53.933  21.128  -19.59801      26.29374 
1 1 1 3   2  61 o 108.337  14.526  106.523    26.786  107.584    31.986  104.033    49.010  107.975 17.570  103.300 26.905  4.675049       32.13396 
1 1 1 3   2  62 o 90.262   15.582  75.130     23.670  60.573     28.054  111.095    44.095  79.835  20.130  107.173 24.143  -27.33868      31.43412 
1 1 1 3   2  63 o 31.494   14.404  -11.2232   17.751  -15.3394   20.115  3.2630     37.736  32.550  15.048  53.222  22.786  -20.67233      27.30665 
1 1 1 3   2  64 o 243.128  11.184  526.195    47.478  514.160    65.720  539.332    68.664  237.519 15.939  243.072 16.272  -5.552902      22.77807 
1 1 1 3   2  65 o 302.773  14.677  830.900    77.592  1000.38    132.311 742.060    95.793  322.246 23.681  281.558 19.607  40.68808       30.74460 
1 1 1 3   2  66 o 119.167  21.117  137.939    42.331  0.0000     0.0000  137.939    42.331  ?       ?       119.167 21.117  0.000000       21.11708 
1 1 1 3   2  67 o 50.761   21.157  10.339     31.133  0.0000     0.0000  10.339     31.133  ?       ?       50.761  21.157  0.000000       21.15678 
1 1 1 3   2  68 o 62.576   22.891  34.884     32.631  0.0000     0.0000  34.884     32.631  ?       ?       62.576  22.891  0.000000       22.89124 
1 1 1 3   2  69 o 116.985  19.465  134.442    38.362  175.805    51.179  81.400     57.956  131.257 23.178  85.856  30.627  45.40107       38.40886 
1 1 1 3   2  70 o 81.559   18.502  66.255     25.743  65.418     30.452  68.353     48.193  79.633  21.429  79.378  27.969  0.2553940      35.23498 
1 1 1 3   2  71 o 91.981   23.959  91.251     38.863  121.985    60.827  70.051     50.519  99.937  31.332  79.169  28.555  20.76886       42.39192 
1 1 1 3   2  72 o 46.339   19.153  11.507     25.214  -1.8371    39.358  20.795     32.837  49.438  22.136  54.207  22.069  -4.768787      31.25781 
1 1 1 3   2  73 o 218.593  14.315  453.276    54.335  503.461    91.415  425.861    67.566  214.285 24.896  205.761 19.021  8.524185       31.33106 
1 1 1 3   2  74 o 49.309   17.890  22.346     19.870  14.177     25.004  36.346     32.733  46.854  19.187  60.297  22.761  -13.44300      29.76929 
1 1 1 3   2  75 o 85.536   18.278  76.187     26.470  76.636     30.360  74.766     54.048  83.757  20.843  76.052  29.118  7.705391       35.80896 
1 1 1 3   3  0  o 392.491  12.668  1346.77    86.819  1516.84    122.796 1176.79    122.764 416.313 16.893  366.051 19.275  50.26230       25.63011 
1 1 1 3   3  1  o 1497.23  40.579  19850.61   1060.85 19605.24   1500.27 20095.98   1500.27 1477.00 58.174  1495.91 57.439  -18.90759      81.75186 
1 1 1 3   3  2  o 481.115  14.901  2024.76    125.174 1927.08    177.015 2122.47    177.030 468.862 21.622  492.151 20.601  -23.28839      29.86506 
1 1 1 3   3  3  o 1642.44  44.782  23970.47   1284.28 23304.95   1816.24 24636.00   1816.25 1604.17 64.843  1651.01 63.003  -46.83655      90.41009 
1 1 1 3   3  4  o 565.872  19.526  2805.20    192.931 3071.22    334.194 2672.22    236.282 589.416 32.599  551.750 24.526  37.66614       40.79475 
1 1 1 3   3  5  o 925.216  29.987  7535.18    484.439 6699.16    839.063 7953.20    593.317 861.954 56.055  948.877 35.811  -86.92261      66.51756 
1 1 1 3   3  6  o 608.890  21.072  3250.24    224.035 2907.26    388.035 3421.74    274.387 571.701 39.107  624.195 25.176  -52.49292      46.50988 
1 1 1 3   3  7  f 1000.13  32.209  8819.54    562.461 8819.12    974.214 8819.76    688.871 988.479 56.682  997.652 39.545  -9.173584      69.11323 
1 1 1 3   3  8  o 444.043  14.483  1724.96    112.293 1695.79    158.803 1754.14    158.809 439.801 20.679  447.334 20.332  -7.533081      29.00055 
1 1 1 3   3  9  o 968.835  27.024  8255.45    457.149 8108.75    646.499 8402.16    646.513 956.492 38.710  973.901 38.019  -17.40918      54.25777 
1 1 1 3   3  10 o 375.245  12.906  1231.47    84.560  1393.71    119.595 1069.28    119.576 398.931 17.169  348.705 19.720  50.22635       26.14693 
1 1 1 3   3  11 o 515.482  15.947  2326.32    143.533 2166.13    202.971 2486.57    203.003 496.621 23.407  532.293 21.842  -35.67200      32.01483 
1 1 1 3   3  12 o 152.142  9.5254  203.086    25.177  155.958    35.576  250.372    35.635  132.552 15.675  168.766 12.175  -36.21425      19.84723 
1 1 1 3   3  13 o 436.967  14.210  1671.07    108.416 1478.28    153.295 1864.00    153.351 409.789 21.499  461.053 19.049  -51.26486      28.72425 
1 1 1 3   3  14 o 539.551  16.642  2550.65    156.785 2474.09    221.716 2627.23    221.738 530.380 23.941  546.666 23.230  -16.28546      33.35913 
1 1 1 3   3  15 o 626.358  21.532  3447.04    235.485 3345.06    288.398 3651.04    407.902 615.946 26.816  639.788 36.667  -23.84131      45.42599 
1 1 1 3   3  16 o 278.303  15.887  680.922    76.882  544.065    108.684 817.997    108.771 247.156 25.553  304.454 20.582  -57.29782      32.81152 
1 1 1 3   3  17 o 445.560  20.660  1745.28    160.732 1626.08    227.294 1864.52    227.326 427.250 30.672  458.235 28.554  -30.98587      41.90570 
1 1 1 3   3  18 o 241.688  15.416  514.166    64.717  536.070    91.519  492.257    91.528  245.872 21.535  235.348 22.549  10.52335       31.18032 
1 1 1 3   3  19 o 629.246  21.655  3487.96    237.929 3109.33    412.085 3677.31    291.410 586.344 40.499  644.867 25.880  -58.52271      48.06190 
1 1 1 3   3  20 f 474.149  17.571  1975.28    145.471 1818.10    251.932 2053.90    178.176 450.444 32.245  482.808 21.135  -32.36365      38.55441 
1 1 1 3   3  21 o 322.645  12.002  911.779    67.613  828.056    95.578  995.648    95.661  306.350 17.946  336.702 16.272  -30.35162      24.22467 
1 1 1 3   3  22 o 234.409  10.664  481.049    43.648  488.794    61.686  473.284    61.770  235.487 15.082  231.664 15.358  3.823074       21.52467 
1 1 1 3   3  23 o 322.177  13.942  910.830    78.432  938.867    135.809 896.799    96.073  324.602 24.134  318.786 17.325  5.815796       29.70880 
1 1 1 3   3  24 o 245.489  15.504  531.740    66.115  518.299    93.420  545.227    93.582  240.958 22.463  247.320 21.897  -6.362091      31.36983 
1 1 1 3   3  25 o 648.660  22.088  3726.43    250.176 3799.58    306.419 3580.19    433.266 652.762 26.884  624.714 39.929  28.04846       48.13609 
1 1 1 3   3  26 o 655.169  19.222  3790.12    219.891 3953.93    310.994 3626.35    310.951 665.676 26.756  636.872 27.963  28.80438       38.70147 
1 1 1 3   3  27 o 273.698  13.116  657.533    62.682  746.777    108.530 612.864    76.782  289.578 21.620  263.267 16.791  26.31168       27.37476 
1 1 1 3   3  28 f 151.601  11.368  202.580    29.873  277.977    51.623  164.620    36.630  176.860 16.923  135.906 15.726  40.95427       23.10234 
1 1 1 3   3  29 o 232.093  12.041  473.596    48.630  399.764    83.745  511.160    59.733  211.093 23.097  240.814 14.270  -29.72093      27.14986 
1 1 1 3   3  30 o 632.550  18.558  3528.27    204.964 3490.90    289.847 3565.65    289.878 625.956 26.519  632.757 26.237  -6.801147      37.30494 
1 1 1 3   3  31 o 440.204  14.306  1701.41    109.957 1788.85    155.504 1613.97    155.502 450.213 19.782  427.388 20.838  22.82516       28.73195 
1 1 1 3   3  32 o 453.666  21.068  1817.63    166.891 1817.63    166.891 0.0000     0.0000  453.666 21.068  ?       ?       0.000000       21.06846 
1 1 1 3   3  33 o 279.634  15.761  688.898    76.642  688.898    76.642  0.0000     0.0000  279.634 15.761  ?       ?       0.000000       15.76113 
1 1 1 3   3  34 o 455.936  20.556  1832.19    163.646 2025.94    231.720 1639.40    231.143 476.751 27.958  427.603 31.173  49.14813       41.87406 
1 1 1 3   3  35 o 447.464  20.152  1763.60    157.445 1763.60    157.445 0.0000     0.0000  447.464 20.152  ?       ?       0.000000       20.15153 
1 1 1 3   3  36 o 121.526  10.514  130.200    22.090  111.894    29.025  155.400    34.054  111.916 15.250  132.260 15.012  -20.34348      21.39940 
1 1 1 3   3  37 o 529.337  15.371  2458.53    142.072 2206.66    200.511 2712.46    201.330 499.951 22.969  554.855 20.781  -54.90454      30.97485 
1 1 1 3   3  38 o 565.934  18.319  2816.17    181.018 2581.75    221.464 3288.04    314.209 540.641 23.460  608.045 29.595  -67.40466      37.76574 
1 1 1 3   3  39 o 485.506  17.243  2071.13    146.175 2003.02    178.869 2208.08    253.630 476.613 21.493  497.484 29.328  -20.87061      36.36079 
1 1 1 3   3  40 o 436.930  19.982  1681.44    152.441 1681.44    152.441 0.0000     0.0000  436.930 19.982  ?       ?       0.000000       19.98153 
1 1 1 3   3  41 o 743.858  24.280  4895.71    315.351 4618.22    385.990 5452.73    546.868 719.605 30.720  774.944 40.557  -55.33923      50.87783 
1 1 1 3   3  42 o 688.611  23.189  4192.40    278.811 4056.92    341.283 4464.27    483.451 675.029 28.955  701.187 39.650  -26.15753      49.09691 
1 1 1 3   3  43 o 362.814  14.942  1155.48    94.655  1022.02    162.432 1224.10    116.476 337.905 27.776  372.995 17.884  -35.09030      33.03593 
1 1 1 3   3  44 o 321.382  14.281  906.399    80.136  809.782    137.494 956.104    98.618  300.800 26.447  329.254 17.214  -28.45401      31.55576 
1 1 1 3   3  45 o 157.940  13.231  220.307    36.153  168.981    59.813  249.851    45.380  135.700 26.192  167.909 15.659  -32.20901      30.51649 
1 1 1 3   3  46 o 368.342  15.452  1192.38    99.381  1220.12    171.133 1178.26    122.076 369.278 26.722  365.006 19.222  4.271576       32.91696 
1 1 1 3   3  47 o 323.275  14.634  918.121    82.602  947.420    141.692 903.037    101.665 325.505 25.125  319.540 18.297  5.964783       31.08129 
1 1 1 3   3  48 o 497.881  15.621  2180.57    135.795 2219.07    191.477 2141.62    192.614 500.433 21.913  491.444 22.447  8.989197       31.36947 
1 1 1 3   3  49 o 248.087  17.283  545.210    74.398  519.582    105.015 571.033    105.415 240.134 25.433  252.207 24.236  -12.07375      35.13150 
1 1 1 3   3  50 o 195.333  14.405  337.355    48.784  272.093    79.407  376.921    61.829  172.323 27.301  205.972 17.353  -33.64864      32.34914 
1 1 1 3   3  51 o 708.272  24.471  4480.53    302.631 4616.79    522.979 4411.93    371.070 701.746 42.888  698.550 30.423  3.196350       52.58204 
1 1 1 3   3  52 o 459.818  15.752  1865.05    126.467 2102.44    177.706 1621.43    180.021 486.297 20.928  425.066 24.357  61.23093       32.11301 
1 1 1 3   3  53 o 329.373  13.065  954.548    75.141  949.510    105.478 959.740    107.070 326.709 18.567  328.409 18.750  -1.700745      26.38700 
1 1 1 3   3  54 o 71.248   21.958  45.468     30.022  82.893     45.062  15.597     40.258  94.373  26.342  60.715  24.538  33.65849       35.99995 
1 1 1 3   3  55 o 346.924  15.469  1064.99    93.706  1241.11    160.761 974.360    115.324 369.771 25.047  329.742 20.126  40.02939       32.13133 
1 1 1 3   3  56 o 137.956  15.215  170.565    36.041  184.617    42.946  137.098    66.279  143.003 17.569  119.426 31.377  23.57738       35.96054 
1 1 1 3   3  57 o 65.133   20.023  38.251     24.980  24.877     28.870  78.098     49.832  58.321  21.502  91.609  28.300  -33.28837      35.54164 
1 1 1 3   3  58 o 164.502  13.804  241.596    39.283  215.992    46.850  302.213    72.086  154.364 17.702  180.696 23.397  -26.33243      29.33928 
1 1 1 3   3  59 o 125.526  15.862  142.889    33.990  182.334    40.322  46.046     63.181  141.790 16.601  80.797  31.336  60.99271       35.46192 
1 1 1 3   3  60 o 54.544   19.788  23.002     24.310  17.355     27.554  42.835     51.637  53.176  20.674  75.281  28.547  -22.10498      35.24695 
1 1 1 3   3  61 o 233.215  13.893  487.619    56.316  502.581    68.243  455.677    99.709  235.419 16.710  217.934 26.765  17.48457       31.55348 
1 1 1 3   3  62 o 122.463  16.065  137.627    33.524  139.612    40.211  133.102    60.706  122.005 19.535  114.454 30.009  7.550804       35.80685 
1 1 1 3   3  63 o 122.703  13.087  136.351    27.606  124.831    38.374  148.706    39.743  114.734 19.875  126.015 18.623  -11.28039      27.23692 
1 1 1 3   3  64 f 77.237   16.630  56.491     21.764  48.974     28.734  66.609     33.335  71.338  21.380  82.308  22.535  -10.97014      31.06361 
1 1 1 3   3  65 o 130.559  12.046  154.264    27.150  146.167    35.554  165.589    42.051  125.072 16.697  132.170 18.747  -7.097946      25.10454 
1 1 1 3   3  66 o 109.778  13.017  110.504    24.464  96.384     32.170  129.869    37.673  99.737  19.169  116.100 19.259  -16.36285      27.17275 
1 1 1 3   3  67 o 100.600  17.268  96.952     29.240  83.880     43.138  108.063    39.772  89.191  26.062  103.286 22.674  -14.09561      34.54530 
1 1 1 3   3  68 o 34.445   15.212  -3.3439    17.946  -28.1565   23.617  30.564     27.608  31.740  15.165  58.401  21.103  -26.66076      25.98630 
1 1 1 3   3  69 o 132.540  17.205  169.184    38.877  119.447    49.479  249.433    62.849  104.030 27.003  155.049 23.990  -51.01920      36.12023 
1 1 1 3   3  70 o 75.674   24.538  61.462     37.055  30.124     49.856  100.140    55.387  64.101  26.750  91.849  30.012  -27.74803      40.20272 
1 1 1 3   3  71 o 57.252   20.486  31.207     25.950  24.543     47.191  34.095     31.069  60.802  25.737  59.997  22.269  0.8048592      34.03362 
1 1 1 3   3  72 o 45.098   18.538  11.589     23.451  20.489     45.213  8.3138     27.429  58.195  24.929  45.941  19.541  12.25463       31.67519 
1 1 1 3   3  73 o 43.548   17.874  11.060     21.759  9.1919     25.491  16.078     41.772  44.861  18.948  54.923  23.748  -10.06211      30.38124 
1 1 1 3   3  74 o 28.765   13.438  -12.6742   16.699  -11.8084   19.217  -15.3449   33.751  31.557  14.631  41.461  19.280  -9.904160      24.20239 
1 1 1 3   3  75 o 30.245   13.995  -10.2535   17.457  -21.8345   20.154  24.528     34.928  29.251  13.985  54.247  22.492  -24.99632      26.48567 
1 1 1 3   4  0  o 412.571  15.478  1489.99    111.502 1857.37    193.232 1306.60    136.523 459.131 24.189  385.444 20.358  73.68668       31.61537 
1 1 1 3   4  1  o 462.996  17.243  1877.72    139.396 2013.22    241.494 1810.01    170.705 477.081 29.130  454.151 21.527  22.93036       36.22097 
1 1 1 3   4  2  o 954.325  30.336  8034.01    505.496 8139.98    875.579 7981.02    619.091 949.238 53.039  948.640 37.376  0.5982666      64.88541 
1 1 1 3   4  3  o 779.128  25.511  5339.39    347.057 5719.36    601.166 5149.44    425.040 799.749 43.211  763.552 31.881  36.19714       53.69874 
1 1 1 3   4  4  o 666.713  22.600  3903.98    263.088 3880.94    455.702 3915.49    322.209 659.508 39.759  666.703 27.678  -7.195068      48.44442 
1 1 1 3   4  5  o 607.634  17.989  3235.98    190.862 3103.14    269.909 3368.83    269.930 593.774 26.034  618.869 24.980  -25.09515      36.07964 
1 1 1 3   4  6  o 293.810  11.645  754.908    59.739  732.678    84.477  777.146    84.492  288.703 16.831  297.422 16.332  -8.718567      23.45263 
1 1 1 3   4  7  o 511.901  15.896  2295.13    142.080 2182.63    200.922 2407.64    200.940 498.308 23.092  523.529 21.982  -25.22171      31.88186 
1 1 1 3   4  8  o 629.642  18.740  3477.29    206.023 3543.46    291.365 3411.13    291.355 634.175 26.313  622.110 26.822  12.06500       37.57365 
1 1 1 3   4  9  o 478.915  15.309  2008.88    128.015 2008.02    181.040 2009.74    181.041 478.036 21.690  478.241 21.680  -0.2057495     30.66724 
1 1 1 3   4  10 o 727.229  24.198  4656.36    307.262 4178.92    532.158 4895.13    376.330 680.562 45.037  744.289 28.958  -63.72705      53.54355 
1 1 1 3   4  11 o 612.990  21.201  3303.20    226.915 3260.26    393.022 3324.67    277.914 603.515 37.482  613.934 25.925  -10.41931      45.57414 
1 1 1 3   4  12 o 482.131  17.799  2039.95    149.841 1945.62    259.527 2087.12    183.518 467.115 32.013  487.081 21.578  -19.96567      38.60626 
1 1 1 3   4  13 o 401.669  19.389  1417.75    135.985 1351.19    192.296 1484.32    192.327 389.677 28.459  408.869 27.093  -19.19165      39.29308 
1 1 1 3   4  14 o 333.504  17.584  979.285    102.034 920.711    144.279 1037.89    144.317 321.746 25.901  342.084 24.320  -20.33798      35.52929 
1 1 1 3   4  15 o 416.089  19.833  1523.24    144.094 1592.88    203.796 1453.63    203.763 423.073 27.741  403.688 29.103  19.38507       40.20673 
1 1 1 3   4  16 o 227.969  15.157  457.886    59.987  472.922    84.828  442.845    84.841  230.694 21.300  223.026 22.077  7.668350       30.67661 
1 1 1 3   4  17 o 647.780  22.260  3704.22    251.775 3531.31    436.088 3790.67    308.361 623.575 40.267  653.594 27.020  -30.01886      48.49248 
1 1 1 3   4  18 o 311.172  11.969  848.268    65.033  916.401    91.971  780.136    91.970  322.534 16.385  297.274 17.800  25.26068       24.19332 
1 1 1 3   4  19 o 337.888  12.451  1000.72    73.456  961.063    103.874 1040.38    103.890 329.911 18.101  343.441 17.381  -13.52979      25.09496 
1 1 1 3   4  20 o 172.347  9.8490  260.849    29.516  275.664    41.747  246.042    41.737  176.729 13.634  166.783 14.475  9.945999       19.88516 
1 1 1 3   4  21 o 563.874  17.199  2799.48    169.333 2932.76    239.480 2666.20    239.466 574.904 23.857  547.707 25.040  27.19708       34.58533 
1 1 1 3   4  22 o 421.636  13.996  1561.23    103.039 1485.73    145.698 1636.78    145.740 409.974 20.353  430.556 19.386  -20.58243      28.10813 
1 1 1 3   4  23 o 186.409  9.8400  305.123    31.914  323.799    45.263  286.660    45.004  191.555 13.622  180.051 14.437  11.50401       19.84852 
1 1 1 3   4  24 o 245.386  10.847  527.660    46.473  512.740    65.791  542.518    65.656  240.896 15.728  247.909 15.241  -7.013123      21.90120 
1 1 1 3   4  25 o 246.676  12.546  535.261    53.861  507.368    93.280  549.212    65.970  238.093 22.713  249.441 15.219  -11.34814      27.34074 
1 1 1 3   4  26 o 213.713  11.829  401.697    43.970  392.414    76.100  406.349    53.873  209.546 21.085  214.563 14.464  -5.017624      25.56965 
1 1 1 3   4  27 o 169.854  14.577  255.311    42.812  267.548    59.894  242.527    61.220  172.866 20.225  164.107 21.912  8.759583       29.81973 
1 1 1 3   4  28 o 348.890  12.104  1067.19    73.739  1141.63    104.169 992.437    104.396 360.190 16.563  335.145 17.905  25.04446       24.39080 
1 1 1 3   4  29 o 517.933  15.863  2358.24    143.459 2370.99    202.834 2345.48    202.929 517.545 22.446  514.712 22.580  2.833618       31.83776 
1 1 1 3   4  30 f 185.915  14.338  305.129    46.184  305.129    46.184  0.0000     0.0000  185.915 14.338  ?       ?       0.000000       14.33782 
1 1 1 3   4  31 o 529.131  18.495  2464.33    170.874 2645.57    209.325 2102.32    295.830 547.351 21.902  482.377 35.370  64.97449       41.60205 
1 1 1 3   4  32 o 800.071  31.588  5715.60    441.283 5715.60    441.283 0.0000     0.0000  800.071 31.588  ?       ?       0.000000       31.58827 
1 1 1 3   4  33 o 141.135  11.192  175.471    27.355  209.990    33.806  110.001    46.556  154.302 12.659  109.366 24.933  44.93612       27.96293 
1 1 1 3   4  34 o 451.465  16.416  1789.86    129.406 1693.21    158.309 1984.48    224.651 438.357 20.683  472.183 27.365  -33.82648      34.30238 
1 1 1 3   4  35 o 224.164  11.678  441.178    45.552  406.756    55.341  513.503    80.217  214.832 14.844  240.811 19.238  -25.97885      24.29948 
1 1 1 3   4  36 o 358.462  18.115  1132.62    113.013 1132.62    113.013 0.0000     0.0000  358.462 18.115  ?       ?       0.000000       18.11479 
1 1 1 3   4  37 o 181.949  13.806  291.886    43.534  291.886    43.534  0.0000     0.0000  181.949 13.806  ?       ?       0.000000       13.80599 
1 1 1 3   4  38 o 318.510  17.415  894.336    96.483  990.438    136.564 798.558    136.333 333.937 23.573  298.997 26.384  34.93973       35.38078 
1 1 1 3   4  39 o 540.520  19.432  2572.97    183.399 2589.15    317.539 2564.87    224.659 536.427 34.079  538.476 23.894  -2.049377      41.62083 
1 1 1 3   4  40 o 283.469  13.477  704.570    66.707  696.060    115.291 708.852    81.788  279.492 23.853  283.538 16.593  -4.045227      29.05642 
1 1 1 3   4  41 o 166.512  10.297  243.616    29.790  224.569    41.205  264.473    43.119  159.248 14.995  173.019 14.404  -13.77020      20.79269 
1 1 1 3   4  42 o 331.690  14.414  965.604    83.480  983.732    144.882 956.594    102.140 332.089 25.173  329.206 17.836  2.882996       30.85122 
1 1 1 3   4  43 o 109.776  13.206  107.200    24.804  98.954     42.119  111.578    30.691  103.664 23.775  111.517 16.239  -7.852760      28.79170 
1 1 1 3   4  44 o 362.338  15.081  1153.47    95.410  1146.70    164.850 1156.89    116.997 357.983 26.563  361.821 18.582  -3.838135      32.41691 
1 1 1 3   4  45 o 59.825   16.360  32.491     17.581  66.781     29.034  12.640     22.091  85.288  19.866  47.727  18.524  37.56079       27.16266 
1 1 1 3   4  46 f 282.600  13.498  701.164    66.604  703.829    114.513 699.802    81.877  280.587 23.592  281.417 16.738  -0.8305359     28.92713 
1 1 1 3   4  47 o 257.626  16.952  587.372    75.829  0.0000     0.0000  587.372    75.829  ?       ?       257.626 16.952  0.000000       16.95176 
1 1 1 3   4  48 o 565.574  20.401  2833.44    201.471 3102.46    348.453 2698.34    246.931 583.260 34.367  549.591 25.732  33.66864       42.93280 
1 1 1 3   4  49 o 265.736  14.091  622.823    65.149  576.640    111.894 646.509    80.132  252.661 25.722  270.123 17.078  -17.46216      30.87509 
1 1 1 3   4  50 o 554.436  17.366  2716.71    168.122 2712.95    236.947 2720.51    238.583 550.674 24.643  551.365 24.782  -0.6912231     34.94890 
1 1 1 3   4  51 o 433.482  13.963  1654.70    105.682 1477.68    147.571 1841.07    151.419 407.002 20.835  455.567 19.035  -48.56558      28.22161 
1 1 1 3   4  52 o 293.774  12.464  759.168    63.936  790.369    89.227  726.242    91.661  298.263 17.206  285.482 18.488  12.78079       25.25554 
1 1 1 3   4  53 o 231.695  11.930  473.493    48.101  483.538    66.939  462.769    69.167  233.061 16.557  227.708 17.531  5.352448       24.11374 
1 1 1 3   4  54 o 212.221  11.848  397.729    43.727  372.666    60.481  425.177    63.293  204.127 17.127  218.237 16.737  -14.10971      23.94759 
1 1 1 3   4  55 o 223.185  11.827  440.221    45.925  436.277    64.164  444.364    65.762  220.835 16.766  222.797 17.033  -1.962494      23.90030 
1 1 1 3   4  56 o 239.885  13.622  511.178    56.823  520.588    69.718  492.559    98.069  241.072 16.665  231.006 24.696  10.06651       29.79303 
1 1 1 3   4  57 o 203.266  16.741  371.926    58.888  371.926    58.888  0.0000     0.0000  203.266 16.741  ?       ?       0.000000       16.74093 
1 1 1 3   4  58 o 120.703  18.673  134.353    38.084  134.353    38.084  0.0000     0.0000  120.703 18.673  ?       ?       0.000000       18.67268 
1 1 1 3   4  59 o 138.257  17.828  175.401    42.034  175.401    42.034  0.0000     0.0000  138.257 17.828  ?       ?       0.000000       17.82751 
1 1 1 3   4  60 o 203.306  13.621  370.954    48.072  397.055    58.763  318.146    83.585  209.203 16.214  181.026 27.292  28.17671       31.74456 
1 1 1 3   4  61 o 135.638  12.434  165.481    29.119  160.356    41.030  170.682    41.333  131.268 18.407  135.722 17.876  -4.454285      25.65902 
1 1 1 3   4  62 o 165.045  12.089  244.681    34.597  241.419    48.750  247.991    49.107  161.470 17.575  163.741 17.445  -2.271317      24.76256 
1 1 1 3   4  63 o 67.521   17.929  43.634     21.493  46.010     30.166  41.184     30.631  69.475  22.100  66.646  22.340  2.829140       31.42386 
1 1 1 3   4  64 o 107.412  14.501  106.700    26.502  123.721    37.248  89.250     37.714  113.435 19.509  94.367  23.080  19.06808       30.22087 
1 1 1 3   4  65 o 86.720   16.218  71.493     23.655  65.522     32.577  78.154     34.404  80.690  22.353  88.070  22.339  -7.379967      31.60198 
1 1 1 3   4  66 o 54.757   19.414  26.470     23.253  35.381     41.017  22.249     28.228  65.156  25.254  54.336  20.981  10.82059       32.83284 
1 1 1 3   4  67 o 36.113   16.232  -7.0356    21.381  -15.0817   36.113  -2.6931    26.530  44.827  20.518  41.979  18.520  2.847889       27.64011 
1 1 1 3   4  68 o 53.008   21.073  20.072     29.186  0.0000     0.0000  20.072     29.186  ?       ?       53.008  21.073  0.000000       21.07326 
1 1 1 3   4  69 o 83.564   22.317  73.968     33.176  0.0000     0.0000  73.968     33.176  ?       ?       83.564  22.317  0.000000       22.31656 
1 1 1 3   4  70 o 113.861  20.142  132.655    38.579  0.0000     0.0000  132.655    38.579  ?       ?       113.861 20.142  0.000000       20.14212 
1 1 1 3   4  71 o 47.885   18.053  19.374     20.575  35.265     29.127  3.5473     29.069  59.635  21.656  44.960  19.622  14.67494       29.22350 
1 1 1 3   4  72 o 66.926   18.639  46.817     22.587  71.914     34.519  28.026     29.869  79.775  23.315  55.472  21.537  24.30243       31.73971 
1 1 1 3   4  73 o 40.609   17.788  2.1248     24.084  48.863     50.905  -11.3544   27.337  66.665  27.348  38.252  17.634  28.41322       32.54014 
1 1 1 3   4  74 f 44.576   18.206  13.809     22.436  30.783     35.764  2.7942     28.811  56.813  23.069  43.389  19.212  13.42406       30.02184 
1 1 1 3   5  0  o 281.805  23.320  704.558    113.714 0.0000     0.0000  704.558    113.714 ?       ?       281.805 23.320  0.000000       23.31968 
1 1 1 3   5  1  o 664.752  22.275  3891.71    258.547 3674.12    447.755 4000.54    316.675 638.437 40.374  672.626 26.964  -34.18921      48.54992 
1 1 1 3   5  2  o 210.135  12.076  387.776    44.121  419.088    76.376  372.094    54.052  217.362 20.361  205.472 15.173  11.88998       25.39302 
1 1 1 3   5  3  o 443.717  16.738  1727.62    129.679 1626.42    224.552 1778.26    158.844 427.050 30.311  449.649 20.232  -22.59909      36.44317 
1 1 1 3   5  4  o 623.170  21.334  3419.06    232.132 3269.53    402.018 3493.85    284.318 602.633 38.406  628.700 25.900  -26.06732      46.32296 
1 1 1 3   5  5  o 684.951  23.296  4138.23    278.611 4509.58    482.566 3952.54    341.229 707.434 39.220  667.433 29.280  40.00055       48.94457 
1 1 1 3   5  6  o 351.546  14.661  1083.48    89.993  1111.62    155.873 1069.40    110.218 353.729 25.406  348.399 18.181  5.329987       31.24152 
1 1 1 3   5  7  o 640.555  21.925  3616.88    245.219 3555.60    424.701 3647.53    300.341 627.551 38.951  641.742 26.804  -14.19086      47.28246 
1 1 1 3   5  8  o 507.338  18.433  2262.96    163.292 2553.91    282.846 2117.51    199.986 534.942 30.407  489.719 23.388  45.22302       38.36133 
1 1 1 3   5  9  o 588.197  20.595  3048.14    211.520 2934.42    366.334 3105.02    259.068 570.307 36.988  592.374 25.047  -22.06750      44.67020 
1 1 1 3   5  10 o 345.775  17.538  1053.67    105.541 896.830    149.192 1210.78    149.325 316.767 27.239  369.460 23.266  -52.69284      35.82272 
1 1 1 3   5  11 o 318.335  13.848  888.713    76.970  911.898    94.274  842.358    133.303 321.682 16.843  307.379 25.055  14.30362       30.19013 
1 1 1 3   5  12 o 424.601  16.259  1584.23    120.545 1502.65    147.625 1747.48    208.823 412.739 20.484  442.598 27.152  -29.85883      34.01271 
1 1 1 3   5  13 o 148.091  10.673  193.017    27.413  188.863    33.608  201.273    47.386  146.150 13.316  150.077 18.473  -3.926651      22.77214 
1 1 1 3   5  14 o 219.354  10.353  421.284    39.652  434.166    56.104  408.427    56.049  221.901 14.561  215.125 15.016  6.776581       20.91632 
1 1 1 3   5  15 o 64.537   11.222  37.539     12.187  38.187     21.071  37.213     14.939  64.880  17.979  63.901  13.793  0.9789619      22.66028 
1 1 1 3   5  16 o 258.202  10.879  584.054    49.045  516.305    69.328  651.932    69.394  241.670 16.529  272.023 14.664  -30.35298      22.09605 
1 1 1 3   5  17 o 136.728  9.6415  164.478    22.870  178.551    32.312  150.350    32.375  142.035 13.179  130.024 14.508  12.01117       19.59991 
1 1 1 3   5  18 o 440.033  14.442  1701.50    110.960 1694.56    156.911 1708.44    156.930 437.685 20.532  439.497 20.450  -1.811890      28.97849 
1 1 1 3   5  19 o 81.375   9.4064  58.743     13.119  44.409     18.389  73.599     18.721  69.703  15.510  90.813  12.108  -21.11030      19.67625 
1 1 1 3   5  20 o 433.350  14.303  1650.37    108.224 1743.15    153.121 1557.75    152.983 444.042 19.749  419.454 20.888  24.58777       28.74604 
1 1 1 3   5  21 o 380.983  15.495  1277.05    103.077 1220.80    178.847 1305.03    126.134 368.303 28.021  384.436 18.791  -16.13321      33.73823 
1 1 1 3   5  22 o 667.832  22.953  3959.15    267.648 4121.37    463.569 3878.03    327.805 669.333 39.845  657.999 28.532  11.33447       49.00729 
1 1 1 3   5  23 o 455.188  17.177  1825.38    136.525 1832.55    236.400 1821.79    167.232 450.923 30.199  453.696 21.110  -2.773773      36.84621 
1 1 1 3   5  24 o 523.693  18.961  2420.21    173.379 2468.88    300.286 2395.87    212.350 522.309 33.097  519.600 23.406  2.708801       40.53719 
1 1 1 3   5  25 o 415.461  15.985  1518.02    115.962 1425.20    200.637 1564.58    142.101 398.241 29.054  421.074 19.327  -22.83264      34.89550 
1 1 1 3   5  26 o 473.236  14.974  1967.21    123.731 2041.10    174.998 1893.35    174.967 480.664 20.851  462.726 21.656  17.93796       30.06213 
1 1 1 3   5  27 o 151.051  9.9375  200.556    26.063  231.214    37.004  170.374    36.716  161.846 13.210  138.430 15.454  23.41620       20.33012 
1 1 1 3   5  28 o 496.150  17.819  2165.53    154.373 2289.97    189.128 1917.13    267.209 509.388 21.264  461.350 33.397  48.03824       39.59179 
1 1 1 3   5  29 o 351.317  14.260  1082.62    87.474  1142.17    107.250 964.283    151.179 360.489 17.039  328.641 26.573  31.84778       31.56655 
1 1 1 3   5  30 o 211.670  11.902  393.644    43.810  437.225    53.706  306.969    75.739  222.877 13.869  184.816 24.039  38.06021       27.75315 
1 1 1 3   5  31 o 383.634  15.367  1291.64    102.936 1285.55    126.073 1303.81    178.279 382.220 18.891  382.496 26.864  -0.2767029     32.84119 
1 1 1 3   5  32 o 112.450  12.048  112.008    23.287  95.998     26.949  159.210    46.273  103.481 15.383  132.898 20.608  -29.41734      25.71615 
1 1 1 3   5  33 o 662.959  27.930  3903.43    323.310 3858.68    457.095 3948.23    457.363 652.051 40.346  659.884 39.882  -7.833069      56.73064 
1 1 1 3   5  34 o 268.667  16.079  636.053    75.082  592.434    105.189 681.359    107.203 257.850 23.626  276.947 22.360  -19.09689      32.52938 
1 1 1 3   5  35 o 148.171  14.074  194.249    35.974  132.175    48.875  267.639    53.144  120.171 24.131  173.576 17.786  -53.40465      29.97755 
1 1 1 3   5  36 o 149.036  10.726  195.438    27.727  147.786    32.775  315.392    52.000  128.940 14.827  188.851 15.918  -59.91115      21.75399 
1 1 1 3   5  37 o 260.286  10.862  593.149    49.363  529.400    68.739  661.031    70.933  244.958 16.162  274.039 14.880  -29.08134      21.96880 
1 1 1 3   5  38 o 610.845  17.064  3281.08    182.005 2829.20    257.004 3735.71    257.784 564.532 26.073  649.998 22.713  -85.46661      34.57877 
1 1 1 3   5  39 o 329.592  11.731  951.728    67.510  853.073    94.793  1053.27    96.170  310.888 17.534  346.220 15.908  -35.33194      23.67536 
1 1 1 3   5  40 f 237.408  10.809  493.590    44.807  486.485    62.868  500.924    63.878  234.823 15.419  238.294 15.435  -3.471390      21.81700 
1 1 1 3   5  41 o 100.964  11.253  90.404     19.500  83.934     27.180  97.266     27.993  96.315  16.771  104.016 15.919  -7.701462      23.12351 
1 1 1 3   5  42 o 167.045  10.490  245.340    30.441  243.744    43.034  246.940    43.066  165.885 15.020  166.993 14.927  -1.108643      21.17604 
1 1 1 3   5  43 o 133.320  12.701  157.327    29.208  181.230    48.553  143.770    36.564  141.844 20.172  126.682 16.955  15.16150       26.35168 
1 1 1 3   5  44 o 19.062   9.5493  -38.6474   13.547  0.0000     0.0000  -38.6474   13.547  ?       ?       19.062  9.5493  0.000000       9.549282 
1 1 1 3   5  45 o 258.015  16.389  588.774    73.453  0.0000     0.0000  588.774    73.453  ?       ?       258.015 16.389  0.000000       16.38930 
1 1 1 3   5  46 o 136.196  17.629  166.387    40.940  0.0000     0.0000  166.387    40.940  ?       ?       136.196 17.629  0.000000       17.62914 
1 1 1 3   5  47 o 393.405  15.967  1364.48    109.680 1433.58    189.957 1329.93    134.336 398.595 27.461  386.843 19.956  11.75192       33.94651 
1 1 1 3   5  48 o 43.137   18.743  -3.9740    26.270  25.948     34.740  -43.9383   40.148  62.338  23.467  43.286  20.414  19.05194       31.10307 
1 1 1 3   5  49 o 418.908  14.237  1546.06    104.139 1477.47    146.522 1616.08    148.039 406.971 20.688  426.456 19.881  -19.48492      28.69201 
1 1 1 3   5  50 o 186.746  11.776  307.738    38.202  309.089    53.133  306.293    54.965  186.208 16.513  185.199 17.194  1.008743       23.83920 
1 1 1 3   5  51 o 278.946  11.808  684.473    57.512  638.439    80.464  732.554    82.234  267.717 17.306  287.105 16.473  -19.38739      23.89242 
1 1 1 3   5  52 o 306.972  12.111  829.969    64.916  834.488    91.571  825.405    92.040  305.982 17.209  304.240 17.398  1.742676       24.47167 
1 1 1 3   5  53 o 183.957  11.148  298.998    35.639  319.302    49.703  277.512    51.130  189.186 15.174  175.837 16.860  13.34940       22.68294 
1 1 1 3   5  54 o 256.769  11.634  581.593    52.161  551.905    73.035  612.500    74.520  248.158 16.957  261.699 16.391  -13.54106      23.58388 
1 1 1 3   5  55 o 112.600  14.548  114.486    27.934  101.302    34.081  141.473    48.760  104.494 19.393  122.524 23.648  -18.02916      30.58338 
1 1 1 3   5  56 o 177.344  15.809  283.388    48.441  283.388    48.441  0.0000     0.0000  177.344 15.809  ?       ?       0.000000       15.80927 
1 1 1 3   5  57 o 66.875   20.810  41.020     26.889  41.020     26.889  0.0000     0.0000  66.875  20.810  ?       ?       0.000000       20.80958 
1 1 1 3   5  58 o 163.688  13.354  240.635    37.835  234.764    45.828  253.205    67.051  160.461 16.597  162.977 24.305  -2.516541      29.43105 
1 1 1 3   5  59 o 163.266  11.566  238.226    32.758  235.984    45.815  240.572    46.857  160.568 16.580  162.035 16.806  -1.466660      23.60787 
1 1 1 3   5  60 o 84.985   15.136  67.090     21.637  56.001     29.238  80.516     32.171  76.176  21.203  91.370  20.650  -15.19381      29.59730 
1 1 1 3   5  61 o 57.529   18.365  30.415     20.817  40.201     25.657  11.564     35.609  65.259  20.331  54.431  22.651  10.82730       30.43724 
1 1 1 3   5  62 o 220.657  11.601  437.620    44.541  456.976    62.480  417.618    63.514  222.529 16.191  211.868 17.320  10.66110       23.70976 
1 1 1 3   5  63 o 140.316  12.377  179.001    30.014  179.934    41.278  177.954    43.720  138.033 17.521  136.479 18.850  1.554047       25.73516 
1 1 1 3   5  64 o 45.101   17.118  14.831     18.578  -9.2146    23.725  52.949     29.871  37.586  16.977  72.732  21.800  -35.14583      27.63055 
1 1 1 3   5  65 o 50.481   19.293  19.429     23.702  36.999     37.588  7.8310     30.539  64.508  24.381  48.802  20.683  15.70561       31.97227 
1 1 1 3   5  66 o 73.819   20.309  55.419     26.998  30.206     48.195  66.949     32.592  64.320  26.524  80.150  22.414  -15.82964      34.72571 
1 1 1 3   5  67 o 81.444   23.798  71.360     35.967  0.0000     0.0000  71.360     35.967  ?       ?       81.444  23.798  0.000000       23.79778 
1 1 1 3   5  68 o 38.002   17.635  -16.7704   28.011  0.0000     0.0000  -16.7704   28.011  ?       ?       38.002  17.635  0.000000       17.63481 
1 1 1 3   5  69 o 37.436   16.467  -1.0773    20.830  9.0950     30.675  -9.7816    28.376  48.079  20.563  40.102  18.291  7.976418       27.52104 
1 1 1 3   5  70 o 51.927   19.976  23.464     25.513  22.086     41.077  24.330     32.552  56.728  24.012  54.752  22.087  1.976116       32.62529 
1 1 1 3   5  71 o 37.221   16.591  -2.5865    21.842  -7.4107    30.821  2.2806     30.958  41.862  19.082  45.007  19.923  -3.144962      27.58688 
1 1 1 3   5  72 o 101.164  16.058  102.872    27.418  149.007    38.363  54.700     39.201  119.055 19.100  68.039  25.060  51.01618       31.50879 
1 1 1 3   6  0  o 208.419  11.773  381.875    42.668  417.696    52.297  310.562    73.789  217.730 13.828  185.855 23.247  31.87561       27.04843 
1 1 1 3   6  1  o 658.639  22.925  3842.22    263.641 3549.95    456.684 3988.31    322.878 621.243 42.354  668.875 27.646  -47.63232      50.57779 
1 1 1 3   6  2  o 251.939  10.908  555.983    47.984  589.895    67.884  522.121    67.834  258.686 15.095  243.158 16.068  15.52824       22.04574 
1 1 1 3   6  3  o 174.029  11.374  266.495    34.371  267.634    42.077  264.210    59.586  174.058 13.962  171.827 20.249  2.231018       24.59622 
1 1 1 3   6  4  o 282.743  13.167  701.392    65.007  660.086    79.589  784.173    112.672 273.374 16.755  296.904 21.888  -23.52975      27.56466 
1 1 1 3   6  5  o 202.194  11.504  359.434    40.447  345.262    49.528  387.814    70.086  197.749 14.444  208.746 19.453  -10.99706      24.22878 
1 1 1 3   6  6  f 422.721  16.421  1572.47    121.200 1658.35    148.439 1400.70    209.926 433.382 19.616  393.992 30.759  39.38998       36.48161 
1 1 1 3   6  7  o 606.042  21.102  3249.45    223.305 3233.60    273.474 3281.16    386.826 602.507 25.995  599.755 37.121  2.752441       45.31785 
1 1 1 3   6  8  o 82.670   10.614  60.847     14.967  49.311     18.282  84.293     26.063  73.623  14.736  96.630  16.008  -23.00676      21.75738 
1 1 1 3   6  9  o 312.883  13.875  859.797    75.803  869.160    92.826  841.056    131.333 313.663 17.013  306.529 24.749  7.134949       30.03253 
1 1 1 3   6  10 o 481.382  15.370  2038.24    129.191 1901.27    182.682 2175.28    182.725 462.930 22.601  495.669 21.113  -32.73999      30.92780 
1 1 1 3   6  11 o 493.495  15.710  2143.08    135.367 2188.27    191.443 2097.89    191.434 496.767 22.071  486.236 22.548  10.53116       31.55226 
1 1 1 3   6  12 o 102.121  9.3475  92.065     16.483  86.718     23.346  97.378     23.274  98.388  13.983  104.527 13.035  -6.139900      19.11681 
1 1 1 3   6  13 o 387.697  13.422  1320.02    90.862  1372.26    128.523 1267.83    128.473 394.210 18.672  378.233 19.520  15.97751       27.01226 
1 1 1 3   6  14 o 404.957  13.777  1440.64    97.417  1470.41    137.785 1410.88    137.751 407.890 19.346  399.446 19.750  8.444397       27.64690 
1 1 1 3   6  15 o 565.459  17.339  2819.01    171.191 2834.88    242.102 2803.15    242.098 564.277 24.572  561.047 24.713  3.230347       34.85018 
1 1 1 3   6  16 o 215.248  10.335  405.893    38.843  430.844    55.007  381.077    54.859  220.958 14.335  207.598 15.241  13.35971       20.92294 
1 1 1 3   6  17 o 299.413  11.781  786.098    61.588  788.293    87.203  783.912    86.995  298.699 16.788  297.864 16.795  0.8350830      23.74707 
1 1 1 3   6  18 o 170.702  10.113  256.088    30.009  242.231    42.648  269.676    42.232  165.340 14.934  174.679 13.963  -9.338257      20.44487 
1 1 1 3   6  19 o 295.949  13.200  768.672    68.212  714.736    118.041 795.713    83.580  282.676 24.147  300.327 15.996  -17.65060      28.96492 
1 1 1 3   6  20 o 255.599  15.588  576.505    69.234  533.098    97.581  620.507    98.247  244.153 23.167  263.978 21.502  -19.82523      31.60770 
1 1 1 3   6  21 o 182.194  11.510  292.031    36.429  294.107    62.864  290.981    44.700  181.423 20.187  181.501 14.218  -0.7818604E-01 24.69175 
1 1 1 3   6  22 o 298.264  11.217  779.276    58.419  766.688    82.590  791.881    82.644  294.893 16.101  299.758 15.846  -4.865112      22.59056 
1 1 1 3   6  23 o 540.337  16.508  2566.56    155.747 2512.53    220.225 2620.61    220.293 532.692 23.677  544.186 23.184  -11.49347      33.13768 
1 1 1 3   6  24 o 392.298  15.267  1351.19    104.579 1432.00    128.160 1190.18    180.915 403.380 18.196  364.546 28.653  38.83365       33.94267 
1 1 1 3   6  25 o 304.819  13.414  814.628    71.395  884.458    87.564  676.143    123.312 317.354 15.802  274.940 25.995  42.41391       30.42115 
1 1 1 3   6  26 o 343.835  14.278  1037.01    85.720  1114.67    105.104 882.747    148.134 356.141 16.902  314.160 27.276  41.98065       32.08785 
1 1 1 3   6  27 o 280.497  12.555  689.362    61.491  762.492    75.539  545.718    105.868 294.807 14.675  247.085 24.877  47.72253       28.88299 
1 1 1 3   6  28 o 116.709  12.915  120.812    25.878  178.000    39.013  75.884     34.580  141.477 16.078  90.936  22.014  50.54126       27.26050 
1 1 1 3   6  29 o 814.907  33.444  5945.06    475.870 5997.78    672.964 5892.33    673.000 806.794 47.988  799.245 48.454  7.549255       68.19528 
1 1 1 3   6  30 o 572.377  24.464  2899.39    244.501 3183.36    346.034 2616.25    345.518 595.416 33.419  537.900 37.013  57.51654       49.86809 
1 1 1 3   6  31 o 200.626  11.485  353.623    40.065  303.712    48.946  454.976    69.749  185.398 15.255  226.778 17.756  -41.37970      23.40962 
1 1 1 3   6  32 o 520.454  17.737  2382.42    161.188 2407.52    197.411 2332.20    279.198 522.245 21.649  509.992 31.508  12.25311       38.22845 
1 1 1 3   6  33 o 260.360  12.657  594.107    57.538  521.561    70.338  740.840    100.034 243.041 16.676  289.248 19.928  -46.20671      25.98503 
1 1 1 3   6  34 o 191.650  10.639  322.552    35.460  271.898    49.138  377.599    51.224  175.165 16.251  206.962 14.262  -31.79688      21.62179 
1 1 1 3   6  35 o 156.215  10.613  214.641    28.777  213.093    39.447  216.401    42.072  155.112 14.742  156.185 15.638  -1.072983      21.49101 
1 1 1 3   6  36 o 413.703  15.583  1503.78    112.568 1479.53    137.840 1552.34    195.049 409.665 19.270  416.883 26.940  -7.218475      33.12250 
1 1 1 3   6  37 o 143.578  10.142  181.372    25.261  136.340    34.529  233.232    37.055  123.452 16.426  162.537 13.170  -39.08497      21.05381 
1 1 1 3   6  38 o 745.277  19.218  4899.97    250.088 4422.99    353.432 5378.28    353.925 703.563 28.770  777.425 26.073  -73.86255      38.82666 
1 1 1 3   6  39 o 370.161  13.008  1202.20    84.076  1148.69    118.281 1256.85    119.533 360.365 18.863  377.597 18.130  -17.23120      26.16335 
1 1 1 3   6  40 o 180.060  10.773  285.072    33.714  259.973    45.910  314.451    49.670  171.240 15.523  188.510 15.220  -17.27034      21.73979 
1 1 1 3   6  41 o 247.869  11.303  538.608    48.921  487.421    67.670  594.646    70.805  234.663 16.623  259.485 15.701  -24.82138      22.86605 
1 1 1 3   6  42 o 359.176  19.063  1143.36    119.124 0.0000     0.0000  1143.36    119.124 ?       ?       359.176 19.063  0.000000       19.06284 
1 1 1 3   6  43 o 538.663  23.888  2585.59    224.679 0.0000     0.0000  2585.59    224.679 ?       ?       538.663 23.888  0.000000       23.88810 
1 1 1 3   6  44 o 416.270  20.588  1537.57    149.644 0.0000     0.0000  1537.57    149.644 ?       ?       416.270 20.588  0.000000       20.58841 
1 1 1 3   6  45 f ?        ?       -324.6428  9.8343  -322.1306  10.764  -337.3311  24.191  ?       ?       ?       ?       0.000000       ?        
1 1 1 3   6  46 o 668.865  19.910  3974.69    232.527 4341.44    328.260 3605.33    329.427 693.941 27.092  630.180 29.939  63.76080       40.37661 
1 1 1 3   6  47 o 107.672  21.589  106.974    39.176  21.411     62.909  161.176    50.070  74.426  30.451  132.576 22.430  -58.14915      37.82015 
1 1 1 3   6  48 o 373.263  12.980  1227.18    84.598  1184.72    118.605 1271.16    120.701 364.574 18.695  378.257 18.275  -13.68268      26.14333 
1 1 1 3   6  49 o 177.447  11.546  278.169    35.580  267.429    48.012  291.252    52.990  173.016 16.077  180.377 17.026  -7.361069      23.41715 
1 1 1 3   6  50 o 81.951   15.217  61.338     20.972  59.208     28.198  63.975     31.374  79.790  20.216  82.847  21.502  -3.057068      29.51284 
1 1 1 3   6  51 o 203.876  11.110  367.178    39.402  322.568    53.601  419.625    58.119  189.734 16.339  216.853 15.450  -27.11884      22.48714 
1 1 1 3   6  52 o 45.262   17.090  13.548     18.458  21.540     21.554  -8.4319    35.746  52.461  18.681  48.717  21.494  3.744133       28.47789 
1 1 1 3   6  53 o 161.382  13.202  232.473    36.876  243.226    45.031  210.583    64.248  164.306 15.895  149.152 25.591  15.15395       30.12599 
1 1 1 3   6  54 o 184.430  12.838  303.386    41.086  300.142    49.836  310.270    72.590  182.451 15.800  182.237 23.350  0.2141418      28.19300 
1 1 1 3   6  55 o 84.546   19.959  67.734     28.991  67.734     28.991  0.0000     0.0000  84.546  19.959  ?       ?       0.000000       19.95891 
1 1 1 3   6  56 o 132.848  18.717  163.788    42.213  146.298    56.837  185.303    63.041  121.583 27.426  137.314 27.255  -15.73112      38.66544 
1 1 1 3   6  57 o 119.907  14.512  131.069    29.765  119.446    34.360  166.018    59.581  113.126 17.998  129.151 27.276  -16.02459      32.67919 
1 1 1 3   6  58 o 107.974  15.310  107.508    28.056  96.141     32.200  143.338    57.168  100.593 19.030  118.711 28.029  -18.11726      33.87856 
1 1 1 3   6  59 o 108.987  13.327  108.490    24.834  96.214     33.415  123.634    37.115  99.976  19.842  113.888 19.357  -13.91174      27.72017 
1 1 1 3   6  60 o 242.291  11.602  526.640    49.082  529.750    68.420  523.341    70.449  239.298 16.475  237.317 17.116  1.981491       23.75726 
1 1 1 3   6  61 o 95.232   14.736  84.723     23.711  81.200     31.878  89.084     35.476  90.611  20.613  94.350  21.948  -3.739410      30.11009 
1 1 1 3   6  62 o 72.997   17.569  51.955     22.122  32.723     30.189  74.261     32.511  60.674  22.045  85.679  21.707  -25.00517      30.93789 
1 1 1 3   6  63 f 69.948   20.289  49.071     26.228  56.983     44.867  44.964     32.327  74.863  26.922  67.496  22.948  7.366623       35.37508 
1 1 1 3   6  64 o 45.148   18.523  10.356     23.357  43.012     40.088  -6.4272    28.740  67.174  25.224  42.107  18.881  25.06703       31.50749 
1 1 1 3   6  65 o 74.076   22.472  57.815     31.603  127.544    46.422  -2.4164    43.144  108.304 25.047  51.618  23.140  56.68635       34.09993 
1 1 1 3   6  66 o 24.303   11.790  -24.2268   15.612  -25.7772   19.387  -21.3656   26.335  27.953  13.456  35.405  16.646  -7.451866      21.40472 
1 1 1 3   6  67 o 119.657  20.415  148.096    41.123  0.0000     0.0000  148.096    41.123  ?       ?       119.657 20.415  0.000000       20.41538 
1 1 1 3   6  68 o 86.873   23.689  85.172     36.923  0.0000     0.0000  85.172     36.923  ?       ?       86.873  23.689  0.000000       23.68871 
1 1 1 3   6  69 o 60.955   18.995  39.031     22.395  11.222     30.938  69.641     32.459  48.197  20.633  78.596  22.505  -30.39886      30.53195 
1 1 1 3   6  70 o 35.316   15.497  0.1185     18.353  -12.6628   24.576  16.232     27.595  35.659  16.537  48.285  20.004  -12.62616      25.95467 
1 1 1 3   6  71 o 42.710   16.746  14.586     18.196  18.181     23.281  8.9428     29.169  46.994  18.777  45.539  19.768  1.454369       27.26399 
1 1 1 3   7  0  o 187.272  11.768  308.731    38.283  307.596    46.944  310.984    66.147  186.523 14.529  186.371 20.675  0.1519012      25.26947 
1 1 1 3   7  1  o 261.325  11.040  598.530    50.374  614.511    58.193  550.759    100.612 264.636 12.594  247.929 23.523  16.70734       26.68199 
1 1 1 3   7  2  o 273.820  16.098  662.231    76.628  662.231    76.628  0.0000     0.0000  273.820 16.098  ?       ?       0.000000       16.09809 
1 1 1 3   7  3  o 621.685  21.717  3424.95    235.740 3599.18    288.707 3076.39    408.357 635.251 26.028  577.299 40.774  57.95233       48.37317 
1 1 1 3   7  4  f 631.657  21.962  3536.73    242.223 3507.54    296.623 3595.15    419.651 626.572 27.113  626.060 38.577  0.5111694      47.15166 
1 1 1 3   7  5  o 281.546  15.912  699.768    77.905  597.463    109.982 802.789    110.367 258.001 24.716  300.395 21.177  -42.39426      32.54820 
1 1 1 3   7  6  o 173.766  11.043  265.680    33.331  235.290    57.497  281.061    40.905  161.785 20.838  178.452 13.222  -16.66704      24.67881 
1 1 1 3   7  7  o 92.258   11.358  75.723     17.910  58.754     30.560  84.599     22.103  80.083  21.432  97.273  13.367  -17.18963      25.25899 
1 1 1 3   7  8  o 370.595  14.193  1206.55    91.841  1063.95    112.339 1493.94    159.479 346.746 18.623  409.906 22.367  -63.16061      29.10464 
1 1 1 3   7  9  o 278.434  12.569  680.129    61.108  623.391    74.686  795.044    106.290 265.665 16.178  299.170 20.470  -33.50504      26.09132 
1 1 1 3   7  10 o 312.249  13.019  855.587    70.983  729.410    86.790  1110.52    123.366 287.220 17.388  353.955 20.043  -66.73544      26.53426 
1 1 1 3   7  11 o 309.787  13.672  842.534    73.953  840.164    90.507  847.296    128.279 308.454 16.868  307.984 24.045  0.4699707      29.37172 
1 1 1 3   7  12 o 419.155  13.848  1542.50    101.351 1414.56    143.263 1670.69    143.402 399.527 20.607  435.180 18.872  -35.65350      27.94267 
1 1 1 3   7  13 o 466.882  15.028  1915.40    122.509 1843.01    173.243 1987.82    173.265 456.366 21.741  474.191 20.926  -17.82468      30.17596 
1 1 1 3   7  14 o 475.441  15.099  1985.97    125.349 2010.54    177.283 1961.41    177.256 476.889 21.291  470.953 21.556  5.935608       30.29744 
1 1 1 3   7  15 o 286.140  16.509  722.377    82.133  679.131    116.165 765.606    116.144 275.693 24.383  293.233 22.865  -17.53955      33.42645 
1 1 1 3   7  16 o 238.639  15.426  502.297    63.932  506.658    90.438  497.941    90.389  238.442 21.969  236.322 22.164  2.120056       31.20743 
1 1 1 3   7  17 o 126.048  13.936  141.061    30.159  130.315    42.746  151.711    42.556  119.777 21.215  129.833 19.364  -10.05608      28.72396 
1 1 1 3   7  18 o 122.628  12.632  133.178    26.661  208.900    38.158  60.953     37.267  153.634 14.392  82.304  24.274  71.33015       28.21982 
1 1 1 3   7  19 o 152.989  10.783  205.923    28.621  232.611    35.373  155.323    48.706  162.439 12.569  130.879 22.100  31.56033       25.42462 
1 1 1 3   7  20 o 533.947  18.820  2510.00    175.463 2595.23    214.957 2339.82    303.744 541.903 22.718  509.538 34.341  32.36469       41.17497 
1 1 1 3   7  21 o 92.014   11.172  75.217     17.581  95.688     22.098  39.911     29.020  103.767 12.444  67.945  21.683  35.82242       24.99995 
1 1 1 3   7  22 o 349.226  17.381  1072.28    105.984 1200.67    150.264 945.172    149.507 367.750 23.525  325.330 26.551  42.41995       35.47324 
1 1 1 3   7  23 o 158.848  13.906  222.954    38.181  245.965    54.885  201.374    53.150  166.044 19.290  149.714 20.902  16.32983       28.44284 
1 1 1 3   7  24 o 224.654  14.689  444.700    57.303  513.248    81.611  378.044    80.477  240.611 19.596  205.633 22.798  34.97780       30.06192 
1 1 1 3   7  25 o 875.865  35.210  6892.79    538.482 6295.83    761.397 7490.15    761.660 820.694 53.424  900.444 48.624  -79.75012      72.23925 
1 1 1 3   7  26 o 205.069  10.444  369.042    37.271  318.181    51.977  422.875    53.475  189.693 15.838  219.127 14.050  -29.43394      21.17161 
1 1 1 3   7  27 o 419.016  16.277  1542.65    119.090 1440.21    145.795 1748.02    206.438 403.545 20.762  442.857 26.824  -39.31192      33.91977 
1 1 1 3   7  28 o 404.805  15.912  1439.55    112.471 1403.97    137.692 1510.89    194.964 399.100 19.759  411.388 27.297  -12.28842      33.69776 
1 1 1 3   7  29 o 285.455  13.389  714.606    66.737  666.688    81.660  810.972    115.804 274.809 17.103  302.146 22.104  -27.33679      27.94808 
1 1 1 3   7  30 o 235.036  12.524  485.598    51.214  424.647    62.639  608.494    88.945  219.168 16.489  261.998 19.585  -42.82930      25.60179 
1 1 1 3   7  31 o 283.723  11.202  705.125    55.497  681.422    78.156  729.229    78.816  277.953 16.174  287.644 15.752  -9.690796      22.57726 
1 1 1 3   7  32 o 377.267  12.765  1248.12    84.085  1232.61    118.706 1263.73    119.123 374.068 18.174  378.791 18.011  -4.722748      25.58708 
1 1 1 3   7  33 o 261.030  11.058  596.904    50.401  529.421    71.026  665.351    71.532  244.738 16.721  274.800 14.964  -30.06197      22.43932 
1 1 1 3   7  34 o 323.115  11.773  915.156    66.421  848.085    93.706  982.882    94.162  309.840 17.391  334.270 16.133  -24.42914      23.72180 
1 1 1 3   7  35 o 347.067  12.027  1056.21    72.883  913.417    102.516 1202.15    103.638 321.322 18.348  369.641 16.058  -48.31827      24.38239 
1 1 1 3   7  36 o 125.805  10.203  139.530    22.219  86.860     29.771  205.750    33.382  97.726  18.114  152.618 12.641  -54.89187      22.08860 
1 1 1 3   7  37 o 156.088  10.831  214.535    29.337  176.109    40.753  255.868    42.266  140.376 16.971  170.026 14.371  -29.65077      22.23866 
1 1 1 3   7  38 o 130.200  11.399  149.781    25.653  113.809    34.847  192.338    37.902  112.103 18.444  147.121 14.963  -35.01894      23.75020 
1 1 1 3   7  39 o 242.991  16.747  523.096    70.620  0.0000     0.0000  523.096    70.620  ?       ?       242.991 16.747  0.000000       16.74684 
1 1 1 3   7  40 o 401.418  19.889  1428.05    139.406 0.0000     0.0000  1428.05    139.406 ?       ?       401.418 19.889  0.000000       19.88937 
1 1 1 3   7  41 o 382.477  19.425  1299.88    129.297 0.0000     0.0000  1299.88    129.297 ?       ?       382.477 19.425  0.000000       19.42452 
1 1 1 3   7  42 o ?        ?       -315.1990  12.368  -364.6426  14.859  -203.6589  22.318  ?       ?       ?       ?       0.000000       ?        
1 1 1 3   7  43 o 487.772  18.461  2109.98    157.227 2068.24    271.520 2131.03    192.850 473.911 33.019  488.299 22.619  -14.38727      40.02337 
1 1 1 3   7  44 f 467.240  15.414  1928.65    125.755 1851.84    177.585 2005.92    178.106 454.896 22.358  473.865 21.526  -18.96915      31.03612 
1 1 1 3   7  45 o 296.918  12.327  776.053    63.910  756.295    90.072  796.085    90.695  291.306 17.794  299.013 17.447  -7.707031      24.92009 
1 1 1 3   7  46 o 290.978  12.247  745.792    62.223  744.460    87.884  747.130    88.109  288.887 17.505  289.401 17.519  -0.5142822     24.76599 
1 1 1 3   7  47 o 218.085  11.351  419.840    43.073  381.268    60.541  459.379    61.295  206.386 16.950  227.085 15.552  -20.69952      23.00364 
1 1 1 3   7  48 o 265.705  11.600  622.422    53.815  627.202    75.497  617.485    76.731  264.961 16.399  262.742 16.814  2.219543       23.48694 
1 1 1 3   7  49 o 291.485  11.677  750.027    59.432  736.743    84.075  763.294    84.024  286.720 16.868  291.999 16.548  -5.278381      23.62998 
1 1 1 3   7  50 o 145.740  13.119  189.802    33.027  177.150    40.511  214.873    57.029  139.678 16.958  152.146 22.114  -12.46806      27.86820 
1 1 1 3   7  51 o 339.059  14.365  1024.87    85.042  1041.22    104.213 992.269    147.131 339.563 17.637  325.113 26.139  14.45020       31.53318 
1 1 1 3   7  52 o 77.160   17.525  55.817     23.073  68.418     28.175  30.165     40.200  85.125  19.390  65.499  25.104  19.62543       31.71994 
1 1 1 3   7  53 o 159.887  11.512  228.090    31.924  238.924    44.911  217.025    45.387  162.043 16.086  153.932 17.180  8.110519       23.53477 
1 1 1 3   7  54 o 97.542   15.181  87.609     25.015  76.447     30.037  112.875    45.189  89.534  19.744  107.270 24.645  -17.73565      31.57824 
1 1 1 3   7  55 f 182.213  13.095  299.200    41.384  273.411    49.812  356.671    74.360  172.439 16.755  193.524 22.421  -21.08551      27.99022 
1 1 1 3   7  56 o 37.724   17.130  -12.0694   24.535  -41.9062   32.863  25.507     36.880  37.008  17.737  60.841  23.845  -23.83291      29.71837 
1 1 1 3   7  57 o 111.010  14.691  113.858    27.776  107.473    32.561  130.921    53.229  106.301 18.197  112.439 27.370  -6.138077      32.86707 
1 1 1 3   7  58 o 144.050  11.764  187.798    29.331  165.423    40.824  211.671    42.169  131.960 18.202  150.645 16.291  -18.68532      24.42784 
1 1 1 3   7  59 o 190.498  11.387  327.917    37.702  332.835    52.382  322.631    54.306  188.849 16.037  185.199 16.983  3.649460       23.35849 
1 1 1 3   7  60 o 57.676   19.753  30.892     23.954  51.667     40.038  19.311     29.894  72.100  25.484  53.500  21.309  18.60041       33.21903 
1 1 1 3   7  61 o 84.758   18.335  71.093     26.346  69.090     45.605  72.097     32.276  80.043  27.257  83.559  21.868  -3.515930      34.94481 
1 1 1 3   7  62 o 89.754   17.972  79.795     27.184  104.445    43.304  63.765     34.922  97.889  25.189  77.390  23.655  20.49895       34.55489 
1 1 1 3   7  63 o 61.133   19.619  37.510     23.734  56.981     36.946  23.830     30.968  72.787  24.534  54.994  21.756  17.79340       32.79115 
1 1 1 3   7  64 o 53.282   17.515  27.602     18.853  32.647     24.240  19.876     29.995  57.584  19.864  52.388  21.178  5.195847       29.03554 
1 1 1 3   7  65 o 92.638   14.767  83.253     23.085  89.132     30.563  75.444     35.224  92.661  19.507  82.202  23.412  10.45930       30.47349 
1 1 1 3   7  66 o 59.447   17.242  36.170     18.943  27.502     23.982  50.549     30.887  53.587  19.621  67.768  22.425  -14.18061      29.79705 
1 1 1 3   7  67 o 46.390   18.568  16.267     22.811  11.853     26.769  27.972     43.589  46.207  19.462  58.342  24.717  -12.13494      31.45947 
1 1 1 3   7  68 o 43.821   17.288  15.059     19.503  8.7526     26.625  22.362     28.650  44.433  19.085  51.263  20.706  -6.829926      28.15992 
1 1 1 3   7  69 o 31.746   14.302  -4.0559    16.708  6.7983     22.659  -16.9886   24.733  40.991  17.606  34.185  16.091  6.805901       23.85162 
1 1 1 3   8  0  o 495.647  17.760  2161.44    153.703 2161.44    153.703 0.0000     0.0000  495.647 17.760  ?       ?       0.000000       17.76014 
1 1 1 3   8  1  o 346.791  12.705  1054.14    76.930  1058.05    88.862  1042.43    153.698 347.207 14.658  341.780 25.949  5.426239       29.80231 
1 1 1 3   8  2  o 118.305  9.5384  123.257    19.536  119.895    22.623  133.116    38.741  116.467 11.265  121.553 18.865  -5.086159      21.97232 
1 1 1 3   8  3  o 536.165  16.639  2526.85    155.773 2541.79    179.890 2482.08    311.449 537.150 19.180  524.691 34.182  12.45917       39.19552 
1 1 1 3   8  4  o 503.351  18.451  2230.42    162.162 2242.43    198.631 2206.42    280.806 503.665 22.586  495.291 32.653  8.374115       39.70351 
1 1 1 3   8  5  o 212.593  10.212  395.586    37.909  334.927    53.480  456.842    53.743  194.630 15.875  227.840 13.571  -33.20935      20.88504 
1 1 1 3   8  6  o 431.782  16.381  1638.32    123.502 1466.80    213.736 1724.30    151.322 404.251 30.505  442.347 19.592  -38.09543      36.25474 
1 1 1 3   8  7  o 316.560  12.841  878.393    70.974  682.308    122.569 977.308    87.054  276.204 25.710  333.672 14.942  -57.46741      29.73679 
1 1 1 3   8  8  o 465.650  17.134  1906.52    139.313 2025.78    170.678 1668.46    241.144 479.285 20.395  430.608 32.308  48.67734       38.20665 
1 1 1 3   8  9  o 423.729  16.283  1577.57    120.474 1605.74    147.602 1521.34    208.521 426.845 19.804  412.256 29.156  14.58862       35.24615 
1 1 1 3   8  10 o 327.523  17.466  946.038    99.525  981.770    140.818 910.377    140.680 332.090 24.457  319.470 25.430  12.62057       35.28249 
1 1 1 3   8  11 o 353.170  14.387  1094.33    88.721  941.970    153.421 1170.88    108.749 324.495 27.332  364.947 17.066  -40.45203      32.22279 
1 1 1 3   8  12 o 179.853  11.743  284.526    36.674  262.641    63.385  295.539    44.964  171.171 21.695  183.008 14.182  -11.83768      25.91884 
1 1 1 3   8  13 o 181.392  11.482  289.306    36.177  196.152    62.208  336.912    44.471  146.808 25.174  195.611 13.096  -48.80280      28.37661 
1 1 1 3   8  14 o 256.114  22.611  583.997    100.075 583.997    100.075 0.0000     0.0000  256.114 22.611  ?       ?       0.000000       22.61060 
1 1 1 3   8  15 o 459.161  20.891  1859.79    167.489 1859.79    167.489 0.0000     0.0000  459.161 20.891  ?       ?       0.000000       20.89103 
1 1 1 3   8  16 o 91.406   15.703  75.418     24.159  75.418     24.159  0.0000     0.0000  91.406  15.703  ?       ?       0.000000       15.70325 
1 1 1 3   8  17 o 586.214  20.289  3029.82    207.676 2943.65    359.724 3072.90    254.344 570.669 36.290  588.968 24.732  -18.29907      43.91630 
1 1 1 3   8  18 o 65.419   12.571  38.764     13.838  -4.4969    24.845  58.219     16.661  41.791  18.192  80.615  12.220  -38.82413      21.91547 
1 1 1 3   8  19 o 481.795  17.494  2041.71    147.169 2099.95    255.051 2012.65    180.193 484.144 30.324  477.420 21.616  6.723389       37.23973 
1 1 1 3   8  20 o 160.327  11.163  226.185    31.056  191.798    53.467  243.693    38.152  145.847 21.653  166.189 13.258  -20.34192      25.38930 
1 1 1 3   8  21 o 353.094  12.651  1092.84    77.999  1140.90    110.319 1044.81    110.296 360.108 17.545  343.994 18.430  16.11407       25.44602 
1 1 1 3   8  22 o 186.713  10.107  306.038    32.827  261.689    46.186  351.315    46.667  171.910 15.555  199.691 13.463  -27.78099      20.57197 
1 1 1 3   8  23 o 278.894  11.271  681.313    54.889  618.233    77.471  744.893    77.778  264.607 16.856  290.806 15.372  -26.19937      22.81262 
1 1 1 3   8  24 o 614.619  20.872  3336.20    223.989 3237.14    274.302 3534.44    388.041 603.507 26.031  624.834 35.715  -21.32770      44.19481 
1 1 1 3   8  25 o 355.357  14.746  1108.97    91.498  1086.24    111.983 1154.63    158.703 350.666 18.353  359.669 25.435  -9.003021      31.36513 
1 1 1 3   8  26 o 145.982  11.686  187.939    29.538  163.553    36.072  237.566    51.459  135.552 15.520  163.193 18.379  -27.64056      24.05562 
1 1 1 3   8  27 o 515.122  16.198  2333.92    145.695 2259.97    205.979 2407.96    206.108 504.876 23.366  521.389 22.640  -16.51315      32.53464 
1 1 1 3   8  28 o 145.826  9.8925  187.034    25.040  139.573    34.771  238.158    36.088  124.918 16.333  164.296 12.678  -39.37799      20.67574 
1 1 1 3   8  29 o 273.551  11.287  655.803    53.910  581.972    75.879  731.057    76.607  256.517 17.038  287.963 15.291  -31.44614      22.89332 
1 1 1 3   8  30 o 250.822  12.327  551.837    53.985  403.408    92.360  628.862    66.533  211.386 25.541  267.161 14.315  -55.77448      29.27919 
1 1 1 3   8  31 o 195.330  10.629  335.287    36.116  310.631    50.579  360.935    51.587  187.260 15.611  202.100 14.720  -14.83948      21.45671 
1 1 1 3   8  32 o 178.234  10.112  279.173    31.339  229.456    43.736  331.637    44.928  160.697 15.791  193.873 13.353  -33.17636      20.68033 
1 1 1 3   8  33 o 195.975  10.795  337.668    36.796  310.822    51.785  365.043    52.293  187.190 15.997  203.176 14.843  -15.98613      21.82282 
1 1 1 3   8  34 o 395.085  13.662  1371.98    94.245  1313.61    133.123 1430.63    133.443 384.652 19.889  402.178 19.003  -17.52579      27.50755 
1 1 1 3   8  35 o 439.326  14.455  1698.43    110.884 1679.78    156.816 1717.08    156.811 435.127 20.640  440.009 20.410  -4.881927      29.02757 
1 1 1 3   8  36 o 146.159  16.844  191.026    42.199  0.0000     0.0000  191.026    42.199  ?       ?       146.159 16.844  0.000000       16.84358 
1 1 1 3   8  37 o 426.163  19.729  1611.70    146.810 0.0000     0.0000  1611.70    146.810 ?       ?       426.163 19.729  0.000000       19.72948 
1 1 1 3   8  38 f 172.812  17.314  266.757    51.542  0.0000     0.0000  266.757    51.542  ?       ?       172.812 17.314  0.000000       17.31441 
1 1 1 3   8  39 o 514.450  18.964  2350.30    170.346 2247.52    294.486 2401.98    208.829 492.591 34.456  517.967 23.090  -25.37546      41.47697 
1 1 1 3   8  40 o ?        ?       -426.2923  9.0139  -412.4624  14.148  -435.7412  11.694  ?       ?       ?       ?       0.000000       ?        
1 1 1 3   8  41 o 322.867  14.768  921.045    83.255  832.853    142.485 966.764    102.590 301.612 27.353  329.405 17.904  -27.79312      32.69171 
1 1 1 3   8  42 o 263.447  11.913  611.078    54.801  574.677    75.626  651.326    79.521  253.783 17.167  270.323 16.933  -16.54042      24.11327 
1 1 1 3   8  43 o 258.525  12.022  589.002    54.270  592.279    75.207  585.442    78.390  257.579 16.814  255.793 17.659  1.785675       24.38390 
1 1 1 3   8  44 o 421.681  14.272  1575.11    105.084 1432.22    147.629 1721.87    149.613 398.070 21.317  438.124 19.557  -40.05353      28.92934 
1 1 1 3   8  45 f 406.010  14.083  1461.92    99.839  1366.39    140.254 1560.06    142.152 388.497 20.751  416.420 19.551  -27.92264      28.51014 
1 1 1 3   8  46 o 411.831  14.260  1507.35    102.543 1457.67    144.162 1558.22    145.888 400.634 20.679  415.100 20.128  -14.46643      28.85745 
1 1 1 3   8  47 o 292.347  17.458  771.023    88.708  730.789    122.272 815.731    128.893 279.704 25.310  295.688 25.206  -15.98419      35.72023 
1 1 1 3   8  48 o 138.096  17.340  174.359    40.890  210.413    55.100  130.163    61.005  150.150 21.641  114.454 30.118  35.69600       37.08683 
1 1 1 3   8  49 o 92.843   16.315  79.747     25.484  91.368     31.113  56.059     44.421  98.761  18.728  78.611  26.900  20.14975       32.77692 
1 1 1 3   8  50 o 140.633  13.352  178.294    32.394  115.009    53.154  215.687    40.858  107.228 28.064  154.035 15.398  -46.80725      32.01023 
1 1 1 3   8  51 f 56.848   17.628  29.623     19.315  12.731     25.754  51.338     29.201  49.264  19.726  73.296  21.450  -24.03252      29.14124 
1 1 1 3   8  52 o 107.958  13.480  106.282    24.857  109.196    35.302  103.416    35.006  107.076 19.604  103.968 20.009  3.108223       28.01262 
1 1 1 3   8  53 o 66.070   19.532  41.691     24.104  62.745     28.948  -5.9101    43.528  80.216  20.570  53.183  23.579  27.03332       31.29021 
1 1 1 3   8  54 o 163.431  13.394  243.151    37.885  224.499    45.846  283.313    67.273  154.946 17.238  169.934 23.285  -14.98750      28.97127 
1 1 1 3   8  55 o 141.163  13.857  182.997    33.714  187.634    40.515  172.556    60.790  141.407 16.734  128.003 27.980  13.40366       32.60170 
1 1 1 3   8  56 o 30.301   14.115  -14.9136   18.215  6.4249     21.258  -73.8365   35.326  42.138  17.516  33.110  16.393  9.027836       23.99013 
1 1 1 3   8  57 o 42.708   17.012  10.744     19.055  -27.4755   27.305  47.025     26.604  35.155  16.656  68.618  20.574  -33.46329      26.47121 
1 1 1 3   8  58 o 66.513   22.413  44.118     30.833  0.0000     0.0000  44.118     30.833  ?       ?       66.513  22.413  0.000000       22.41288 
1 1 1 3   8  59 o 40.410   18.045  -4.9492    25.969  0.0000     0.0000  -4.9492    25.969  ?       ?       40.410  18.045  0.000000       18.04547 
1 1 1 3   8  60 o 78.658   18.949  63.046     25.716  37.283     44.203  76.227     31.617  64.568  25.847  85.199  21.308  -20.63106      33.49749 
1 1 1 3   8  61 o 104.094  13.651  102.826    24.213  131.473    32.963  69.256     35.683  115.660 16.815  79.081  23.854  36.57861       29.18485 
1 1 1 3   8  62 o 61.539   17.046  38.411     18.945  39.812     25.871  36.791     27.818  61.917  20.525  60.158  21.244  1.759407       29.53977 
1 1 1 3   8  63 o 105.585  13.336  106.498    24.038  112.564    32.253  98.917     36.055  104.888 18.275  94.885  22.163  10.00372       28.72566 
1 1 1 3   8  64 o 64.021   17.155  42.479     19.565  52.003     26.762  31.546     28.674  68.872  20.632  56.404  21.300  12.46741       29.65450 
1 1 1 3   8  65 o 59.446   17.475  37.132     19.343  8.1713     25.852  73.965     29.154  43.811  18.811  81.830  20.459  -38.01819      27.79283 
1 1 1 3   8  66 o 60.310   18.756  39.567     21.848  49.789     34.249  32.552     28.371  64.796  23.490  55.762  21.156  9.034748       31.61290 
1 1 1 3   9  0  o 411.937  14.005  1488.51    100.735 1453.51    116.347 1593.32    201.328 406.711 16.383  422.529 27.437  -15.81839      31.95664 
1 1 1 3   9  1  o 444.502  14.178  1733.39    110.037 1772.99    127.102 1614.88    219.857 449.217 16.204  424.535 29.849  24.68237       33.96416 
1 1 1 3   9  2  o 509.569  15.671  2280.50    139.432 2333.30    161.034 2122.34    278.699 514.965 17.909  485.584 33.068  29.38174       37.60590 
1 1 1 3   9  3  o 216.472  10.394  410.190    39.286  415.051    45.441  395.805    78.176  217.326 12.022  210.667 21.556  6.659119       24.68191 
1 1 1 3   9  4  o 331.348  12.065  961.958    69.802  1016.97    80.654  797.799    139.323 340.531 13.565  298.467 27.027  42.06384       30.24014 
1 1 1 3   9  5  o 174.211  9.5720  266.360    29.005  298.763    33.620  172.047    57.358  184.443 10.483  137.311 24.838  47.13170       26.95960 
1 1 1 3   9  6  o 506.113  22.641  2264.85    200.082 2301.14    283.097 2228.64    282.821 505.954 32.213  497.658 32.730  8.295258       45.92294 
1 1 1 3   9  7  o 288.056  13.421  727.689    67.504  689.117    116.807 747.032    82.715  277.882 24.319  291.095 16.340  -13.21301      29.29825 
1 1 1 3   9  8  o 690.279  29.211  4249.65    352.076 3915.25    497.973 4583.88    497.848 652.658 43.954  709.125 40.375  -56.46686      59.68293 
1 1 1 3   9  9  o 551.964  24.112  2699.28    232.383 2793.31    328.722 2605.35    328.558 556.555 33.990  536.793 35.250  19.76160       48.96807 
1 1 1 3   9  10 o 390.024  15.574  1336.34    106.059 1320.19    129.955 1368.56    183.530 387.030 19.230  391.387 27.021  -4.356445      33.16565 
1 1 1 3   9  11 o 331.041  14.211  961.773    82.142  998.073    100.674 889.476    142.076 336.393 17.197  315.407 26.031  20.98691       31.19840 
1 1 1 3   9  12 o 163.513  10.945  235.196    31.069  259.380    54.261  223.400    37.897  170.624 18.510  158.979 13.789  11.64516       23.08135 
1 1 1 3   9  13 o 121.524  10.642  130.301    22.353  144.787    39.180  123.311    27.217  126.967 18.193  117.805 13.474  9.162376       22.63912 
1 1 1 3   9  14 o 578.576  19.380  2952.15    195.785 2918.03    339.091 2969.21    239.793 568.216 34.339  578.797 23.727  -10.58173      41.73895 
1 1 1 3   9  15 o 249.298  10.379  544.189    45.180  530.043    63.879  558.348    63.909  245.194 14.993  251.742 14.602  -6.547501      20.92838 
1 1 1 3   9  16 o 440.373  16.053  1705.20    123.433 1430.74    213.546 1842.91    151.261 398.448 30.937  457.170 18.949  -58.72156      36.27873 
1 1 1 3   9  17 o 534.042  17.994  2512.66    167.785 1867.33    290.104 2837.03    205.675 452.465 37.045  566.608 20.789  -114.1432      42.47957 
1 1 1 3   9  18 o 719.659  22.841  4589.22    287.015 3496.21    496.736 5137.01    351.658 612.412 46.808  759.453 26.519  -147.0416      53.79820 
1 1 1 3   9  19 o 251.159  12.910  554.840    56.424  536.635    69.081  591.325    97.797  246.473 16.141  257.549 21.957  -11.07521      27.25130 
1 1 1 3   9  20 o 202.368  12.060  360.343    42.420  341.222    51.829  399.143    73.830  196.441 15.229  211.603 20.229  -15.16110      25.32094 
1 1 1 3   9  21 o 147.372  11.468  191.508    29.277  198.800    35.671  176.457    51.249  149.844 13.788  139.585 21.735  10.25902       25.73934 
1 1 1 3   9  22 o 150.484  11.705  199.733    30.515  205.982    37.289  187.065    53.092  152.481 14.167  143.758 21.838  8.722992       26.03108 
1 1 1 3   9  23 o 88.878   11.110  70.303     16.864  58.255     23.639  82.791     24.067  79.775  17.455  95.942  14.846  -16.16665      22.91502 
1 1 1 3   9  24 o 61.460   13.230  34.434     13.777  28.357     18.967  41.221     20.046  56.727  17.449  67.114  17.067  -10.38671      24.40788 
1 1 1 3   9  25 o 217.215  12.595  415.500    47.563  320.152    82.493  462.980    58.213  187.752 25.849  229.000 14.635  -41.24820      29.70436 
1 1 1 3   9  26 o 257.300  11.291  580.549    50.728  576.761    71.909  584.301    71.572  255.360 16.212  257.069 16.025  -1.708801      22.79503 
1 1 1 3   9  27 o 727.214  21.313  4692.66    270.627 4741.96    382.774 4643.39    382.676 725.130 30.232  717.309 30.554  7.820740       42.98231 
1 1 1 3   9  28 o 346.419  12.827  1054.15    77.585  1022.56    109.785 1085.67    109.658 339.560 18.587  350.079 18.000  -10.51831      25.87477 
1 1 1 3   9  29 o 590.132  17.980  3078.67    185.268 3026.16    262.007 3131.17    262.010 581.256 25.816  591.512 25.368  -10.25543      36.19389 
1 1 1 3   9  30 o 189.003  12.220  315.042    40.111  140.607    68.299  406.883    49.558  122.180 31.732  214.712 13.284  -92.53256      34.40008 
1 1 1 3   9  31 o 450.773  17.251  1796.42    135.781 1672.18    235.142 1858.56    166.310 427.577 31.722  457.198 20.833  -29.62079      37.95123 
1 1 1 3   9  32 o 157.436  16.139  221.111    43.738  0.0000     0.0000  221.111    43.738  ?       ?       157.436 16.139  0.000000       16.13871 
1 1 1 3   9  33 o 312.833  17.796  869.768    96.804  0.0000     0.0000  869.768    96.804  ?       ?       312.833 17.796  0.000000       17.79568 
1 1 1 3   9  34 o 630.016  27.457  3594.93    302.038 0.0000     0.0000  3594.93    302.038 ?       ?       630.016 27.457  0.000000       27.45665 
1 1 1 3   9  35 o 50.909   19.739  14.959     25.065  -96.3333   38.829  94.460     32.818  33.739  16.785  101.441 19.232  -67.70242      25.52689 
1 1 1 3   9  36 f 130.096  15.008  151.537    33.466  221.536    53.894  107.605    42.695  156.300 20.222  107.408 23.425  48.89249       30.94632 
1 1 1 3   9  37 o 232.923  13.483  480.405    54.603  460.237    92.308  491.260    67.721  224.618 23.903  234.697 16.633  -10.07948      29.12108 
1 1 1 3   9  38 o 258.243  11.740  587.455    52.938  582.391    74.182  592.710    75.570  255.444 16.724  257.651 16.891  -2.206406      23.77002 
1 1 1 3   9  39 o 139.350  11.792  172.376    28.422  173.507    38.960  171.090    41.553  138.757 16.398  137.416 17.732  1.341446       24.15171 
1 1 1 3   9  40 o 148.924  11.190  196.565    28.886  181.524    40.187  212.642    41.548  141.807 16.541  153.860 15.685  -12.05305      22.79524 
1 1 1 3   9  41 o 34.540   14.312  2.9135     14.128  11.489     19.338  -6.9045    20.692  44.576  17.323  36.510  16.218  8.065857       23.73021 
1 1 1 3   9  42 o 201.676  11.019  360.151    38.657  306.859    54.179  415.416    55.173  184.279 17.031  215.481 14.753  -31.20227      22.53193 
1 1 1 3   9  43 o 105.991  14.172  101.759    25.571  99.190     30.831  107.422    45.772  103.623 17.674  105.570 25.184  -1.946671      30.76641 
1 1 1 3   9  44 o 282.141  13.703  709.791    67.508  698.975    82.433  731.819    117.638 277.920 17.070  279.418 24.355  -1.498688      29.74157 
1 1 1 3   9  45 o 281.595  17.287  720.598    84.585  720.598    84.585  0.0000     0.0000  281.595 17.287  ?       ?       0.000000       17.28661 
1 1 1 3   9  46 o 140.833  13.403  178.931    32.560  183.816    39.964  169.285    56.155  141.626 16.468  131.792 25.323  9.833878       30.20665 
1 1 1 3   9  47 o 198.339  11.454  351.378    39.497  340.162    54.837  363.468    56.936  192.853 16.442  199.356 16.505  -6.502914      23.29701 
1 1 1 3   9  48 o 41.875   16.536  9.7722     17.860  22.837     23.155  -9.4178    28.063  53.291  19.315  41.690  18.678  11.60077       26.86912 
1 1 1 3   9  49 o 89.512   14.721  74.408     22.208  66.848     28.988  85.148     34.551  82.896  20.210  93.162  21.652  -10.26603      29.61860 
1 1 1 3   9  50 o 31.674   14.386  -8.9879    17.316  -10.4881   21.393  -6.1373    29.489  35.244  16.000  43.631  19.373  -8.386635      25.12577 
1 1 1 3   9  51 o 167.855  13.241  257.009    38.492  223.461    47.039  324.999    66.966  153.794 17.849  182.969 21.363  -29.17554      27.83845 
1 1 1 3   9  52 o 49.388   18.054  19.904     20.292  26.094     23.936  4.0920     38.258  54.871  19.671  52.314  22.674  2.556961       30.01750 
1 1 1 3   9  53 f 188.150  13.299  325.172    43.409  297.931    53.044  380.411    75.534  177.009 17.387  194.961 22.608  -17.95180      28.52083 
1 1 1 3   9  54 o 115.918  17.965  130.575    35.186  143.595    48.728  116.391    50.860  116.723 24.681  102.367 27.756  14.35684       37.14213 
1 1 1 3   9  55 o 62.187   19.897  38.419     24.424  62.605     37.276  20.226     32.331  76.570  24.589  54.375  21.985  22.19516       32.98406 
1 1 1 3   9  56 o 94.358   18.054  88.640     28.662  101.018    50.143  82.632     34.931  92.999  28.328  88.086  22.600  4.913658       36.23858 
1 1 1 3   9  57 o 101.459  16.936  101.487    28.945  159.948    51.912  75.113     34.868  119.938 25.570  82.976  23.176  36.96270       34.50961 
1 1 1 3   9  58 o 75.783   17.039  57.881     21.999  67.504     31.543  48.768     30.696  78.801  22.055  67.464  22.357  11.33682       31.40439 
1 1 1 3   9  59 o 57.156   17.820  33.211     19.708  31.638     28.427  34.667     27.347  57.068  21.278  58.591  21.024  -1.522934      29.91194 
1 1 1 3   9  60 o 91.673   14.160  81.729     21.935  76.160     30.013  88.114     32.136  83.792  20.647  90.190  20.827  -6.398331      29.32736 
1 1 1 3   9  61 o 73.325   16.461  55.105     20.558  54.523     28.564  55.731     29.611  69.729  21.407  70.209  21.836  -0.4801407     30.57871 
1 1 1 3   9  62 o 81.193   15.437  66.646     21.086  67.659     28.258  65.373     31.673  77.829  20.506  74.783  22.455  3.045280       30.40978 
1 1 1 3   9  63 o 69.923   19.571  54.651     24.837  92.903     42.690  35.077     30.538  84.039  26.232  57.032  21.875  27.00655       34.15578 
1 1 1 3   9  64 o 75.595   21.622  68.128     29.978  90.629     41.606  43.835     43.232  82.030  25.939  60.722  25.088  21.30801       36.08673 
1 1 1 3   10 0  o 485.531  22.124  2087.82    187.563 2054.00    265.275 2121.64    265.232 476.898 32.043  484.991 31.491  -8.093170      44.92724 
1 1 1 3   10 1  o 98.188   14.721  86.550     24.460  83.485     34.881  89.516     34.309  95.295  21.477  98.858  20.547  -3.563309      29.72273 
1 1 1 3   10 2  o 566.328  35.924  2917.88    353.396 2917.88    353.396 0.0000     0.0000  566.328 35.924  ?       ?       0.000000       35.92410 
1 1 1 3   10 3  o 223.609  14.698  441.212    57.066  493.495    81.175  390.124    80.241  235.544 19.924  208.692 22.369  26.85233       29.95578 
1 1 1 3   10 4  o 168.895  14.306  252.334    41.792  248.605    59.413  255.987    58.798  166.400 20.910  169.015 20.332  -2.615005      29.16561 
1 1 1 3   10 5  o 208.827  11.714  383.499    42.538  417.821    52.327  316.618    73.044  217.700 13.838  187.658 22.758  30.04216       26.63463 
1 1 1 3   10 6  o 539.760  23.448  2586.42    220.990 2807.57    312.677 2365.69    312.377 557.410 32.264  509.811 35.309  47.59952       47.83011 
1 1 1 3   10 7  o 264.317  15.412  616.468    70.822  726.567    100.484 507.789    99.834  285.981 20.254  237.813 24.388  48.16823       31.70156 
1 1 1 3   10 8  o 434.961  20.402  1673.25    154.944 1748.10    219.259 1598.58    218.990 440.988 28.630  421.045 29.983  19.94324       41.45702 
1 1 1 3   10 9  o 344.006  14.064  1039.64    84.474  1160.34    146.391 979.381    103.432 360.739 23.367  332.789 17.865  27.95087       29.41390 
1 1 1 3   10 10 o 246.165  12.458  533.015    53.371  626.732    92.792  486.685    65.243  265.467 20.169  234.608 16.023  30.85905       25.75912 
1 1 1 3   10 11 o 186.251  11.501  305.302    37.220  322.791    64.697  296.651    45.504  190.090 19.782  183.172 14.342  6.917679       24.43420 
1 1 1 3   10 12 o 147.884  11.124  192.782    28.514  187.356    49.324  195.505    34.945  144.194 20.141  148.577 13.622  -4.383911      24.31446 
1 1 1 3   10 13 o 317.788  14.050  887.520    77.961  825.249    134.837 918.791    95.551  303.084 25.722  322.403 17.034  -19.31897      30.85086 
1 1 1 3   10 14 o 112.472  12.165  112.275    23.509  97.927     40.127  119.773    29.009  103.031 22.899  115.800 14.676  -12.76909      27.19838 
1 1 1 3   10 15 o 214.408  15.506  406.756    57.659  483.541    81.238  328.809    81.850  232.860 20.180  190.421 25.239  42.43913       32.31487 
1 1 1 3   10 16 o 73.545   17.018  49.595     21.420  55.577     29.966  43.344     30.631  77.927  21.379  70.328  22.259  7.598778       30.86251 
1 1 1 3   10 17 o 182.261  14.809  294.205    46.720  225.706    65.499  365.157    66.661  157.298 24.658  202.315 19.096  -45.01697      31.18831 
1 1 1 3   10 18 o 406.720  19.833  1465.32    140.849 1468.34    199.099 1462.30    199.281 403.161 28.466  402.284 28.556  0.8765869      40.32097 
1 1 1 3   10 19 o 204.676  12.495  369.260    44.440  315.505    76.966  396.143    54.429  186.580 24.195  211.623 14.824  -25.04344      28.37473 
1 1 1 3   10 20 o 270.152  13.036  641.408    61.493  675.761    106.590 624.271    75.285  274.659 22.421  265.536 16.317  9.122803       27.73006 
1 1 1 3   10 21 o 370.750  18.978  1220.54    122.440 0.0000     0.0000  1220.54    122.440 ?       ?       370.750 18.978  0.000000       18.97751 
1 1 1 3   10 22 o 112.005  17.570  113.499    33.231  0.0000     0.0000  113.499    33.231  ?       ?       112.005 17.570  0.000000       17.57007 
1 1 1 3   10 23 o 61.275   20.345  31.754     25.416  0.0000     0.0000  31.754     25.416  ?       ?       61.275  20.345  0.000000       20.34519 
1 1 1 3   10 24 o 211.022  15.907  395.319    58.179  0.0000     0.0000  395.319    58.179  ?       ?       211.022 15.907  0.000000       15.90681 
1 1 1 3   10 25 f 131.282  15.917  154.384    35.740  118.722    48.526  196.664    52.837  112.836 25.259  147.152 21.174  -34.31667      32.95993 
1 1 1 3   10 26 o 355.634  18.751  1125.95    116.028 930.473    164.113 1321.31    164.063 318.435 29.865  382.694 24.684  -64.25888      38.74566 
1 1 1 3   10 27 o 65.947   22.102  36.808     29.982  292.503    42.575  -214.7412  42.229  181.714 13.515  ?       ?       0.000000       13.51537 
1 1 1 3   10 28 o 476.532  22.440  2035.62    186.717 0.0000     0.0000  2035.62    186.717 ?       ?       476.532 22.440  0.000000       22.44033 
1 1 1 3   10 29 o 213.202  16.943  405.629    62.552  0.0000     0.0000  405.629    62.552  ?       ?       213.202 16.943  0.000000       16.94269 
1 1 1 3   10 30 o 214.061  16.300  408.567    60.468  0.0000     0.0000  408.567    60.468  ?       ?       214.061 16.300  0.000000       16.30038 
1 1 1 3   10 31 o 294.219  13.543  764.463    69.575  602.699    119.072 848.324    85.733  255.683 27.084  308.865 15.952  -53.18176      31.43200 
1 1 1 3   10 32 o 255.866  11.453  576.573    51.166  554.721    71.977  598.896    72.748  249.247 16.634  259.183 16.155  -9.936172      23.18831 
1 1 1 3   10 33 o 236.829  11.297  494.142    46.716  494.317    65.911  493.966    66.223  235.242 16.144  235.131 16.229  0.1113434      22.89173 
1 1 1 3   10 34 o 200.729  11.207  356.246    39.122  352.556    55.379  359.922    55.274  198.357 16.129  200.497 15.920  -2.140289      22.66250 
1 1 1 3   10 35 o 234.730  11.323  486.188    46.409  460.793    65.670  511.523    65.594  226.533 16.721  239.083 15.802  -12.54993      23.00608 
1 1 1 3   10 36 f 198.696  10.868  349.377    37.561  328.508    53.195  370.128    53.043  191.117 16.091  203.298 15.050  -12.18158      22.03180 
1 1 1 3   10 37 o 65.282   15.117  39.517     16.892  20.940     23.822  58.305     23.957  53.125  19.540  79.009  17.794  -25.88461      26.42796 
1 1 1 3   10 38 o 127.914  11.546  146.024    25.509  97.960     36.826  190.357    35.368  101.723 21.411  145.471 14.101  -43.74845      25.63741 
1 1 1 3   10 39 o 265.497  11.528  625.006    53.440  582.073    75.890  667.235    75.266  253.284 17.263  272.008 15.917  -18.72430      23.48074 
1 1 1 3   10 40 o 147.473  13.195  195.552    33.618  194.752    40.677  197.277    59.714  146.102 16.219  143.183 24.782  2.919479       29.61758 
1 1 1 3   10 41 o 135.653  13.652  166.378    31.897  147.071    37.884  213.399    59.121  125.982 17.711  149.299 23.452  -23.31628      29.38857 
1 1 1 3   10 42 o 341.694  15.098  1054.96    90.081  1056.63    109.927 1051.54    157.172 338.526 18.670  327.484 27.747  11.04141       33.44358 
1 1 1 3   10 43 f 129.728  11.702  151.414    26.221  144.560    35.698  159.444    38.640  124.812 16.808  130.939 17.326  -6.126556      24.13903 
1 1 1 3   10 44 o 39.540   15.413  9.3844     15.344  19.772     20.235  -4.6695    23.537  49.765  18.054  39.510  17.437  10.25486       25.09912 
1 1 1 3   10 45 o 178.354  10.978  285.382    34.022  262.219    46.699  311.585    49.668  168.370 16.080  183.932 15.613  -15.56154      22.41274 
1 1 1 3   10 46 o 208.466  11.109  390.615    40.292  350.420    56.121  433.372    57.883  193.924 16.738  216.813 15.390  -22.88875      22.73798 
1 1 1 3   10 47 o 96.704   14.689  87.445     24.022  91.082     28.746  79.025     43.741  97.441  17.540  86.849  26.459  10.59232       31.74463 
1 1 1 3   10 48 o 63.826   20.144  39.665     25.101  23.236     34.335  58.526     36.788  57.445  22.851  75.713  24.439  -18.26818      33.45786 
1 1 1 3   10 49 o 112.035  18.446  122.326    34.828  91.035     49.182  153.805    49.328  90.739  28.128  121.790 24.050  -31.05099      37.00800 
1 1 1 3   10 50 o 133.978  13.801  167.328    31.823  153.896    38.871  194.631    55.419  125.564 18.265  136.480 24.139  -10.91580      30.27018 
1 1 1 3   10 51 o 41.288   17.375  5.7450     21.309  26.358     28.752  -19.3744   31.740  55.734  21.261  40.274  18.717  15.45965       28.32638 
1 1 1 3   10 52 o 52.057   17.976  25.385     19.854  22.195     32.436  27.297     25.107  54.751  22.061  54.752  20.072  -0.1216888E-02 29.82577 
1 1 1 3   10 53 o 82.518   17.380  68.331     24.250  48.548     41.625  78.495     29.836  68.084  25.675  86.821  20.081  -18.73727      32.59536 
1 1 1 3   10 54 f 35.799   15.455  1.4900     17.637  -9.0129    21.447  23.427     30.995  34.784  15.880  53.980  21.631  -19.19582      26.83377 
1 1 1 3   10 55 o 46.382   17.056  19.048     18.149  13.042     23.653  27.645     28.300  45.509  18.652  54.795  21.048  -9.285934      28.12341 
1 1 1 3   10 56 o 67.210   17.665  47.048     21.003  51.684     27.151  40.142     33.142  68.691  20.827  61.574  22.971  7.117157       31.00746 
1 1 1 3   10 57 o 65.213   17.007  44.263     19.566  44.953     24.448  43.033     32.632  64.292  19.816  62.448  22.884  1.844204       30.27152 
1 1 1 3   10 58 o 35.430   15.068  4.1213     16.304  -1.6823    19.306  18.551     30.442  35.134  15.634  49.984  20.884  -14.84965      26.08753 
1 1 1 3   10 59 o 110.509  13.914  120.366    26.253  92.139     34.557  158.893    40.373  88.623  22.339  120.619 19.861  -31.99580      29.89132 
1 1 1 3   10 60 o 47.443   17.423  22.266     18.929  11.002     24.496  38.959     29.821  43.400  18.464  58.338  21.785  -14.93748      28.55684 
1 1 1 3   11 0  o 102.187  11.002  92.650     19.321  88.285     22.448  105.127    37.949  99.350  13.272  107.007 21.061  -7.657379      24.89379 
1 1 1 3   11 1  o 451.246  21.126  1809.61    166.457 1859.14    235.488 1760.15    235.325 452.477 29.976  439.721 30.845  12.75601       43.01147 
1 1 1 3   11 2  o 552.512  24.316  2728.88    234.578 2867.78    331.882 2590.20    331.606 559.191 34.154  529.897 36.054  29.29401       49.66336 
1 1 1 3   11 3  o 372.052  18.905  1229.10    122.409 1261.40    173.224 1196.89    173.002 373.841 26.713  363.784 27.438  10.05737       38.29420 
1 1 1 3   11 4  o 139.240  10.725  171.056    25.873  167.569    30.157  180.782    50.365  137.512 12.703  141.154 21.081  -3.641983      24.61258 
1 1 1 3   11 5  o 413.350  13.792  1503.44    99.542  1565.73    115.058 1318.09    198.482 421.354 15.639  380.397 30.129  40.95715       33.94623 
1 1 1 3   11 6  o 146.728  10.236  189.691    26.060  193.744    30.489  178.698    50.207  148.061 11.894  140.281 21.155  7.780258       24.26926 
1 1 1 3   11 7  o 212.587  10.466  396.394    38.850  363.673    44.447  502.326    79.974  203.031 12.600  237.203 19.481  -34.17216      23.20097 
1 1 1 3   11 8  o 28.917   12.285  0.1096     10.816  2.2722     11.740  -12.0306   27.817  31.543  13.056  41.539  18.604  -9.995920      22.72833 
1 1 1 3   11 9  o 173.077  10.341  263.675    31.108  253.507    35.755  295.341    63.100  169.426 12.167  181.232 20.288  -11.80597      23.65711 
1 1 1 3   11 10 o 134.357  12.119  159.895    28.125  159.895    28.125  0.0000     0.0000  134.357 12.119  ?       ?       0.000000       12.11901 
1 1 1 3   11 11 o 129.107  12.584  147.929    28.008  152.596    34.229  138.474    48.721  130.653 15.294  122.454 23.643  8.198967       28.15805 
1 1 1 3   11 12 o 191.332  12.503  323.258    41.539  341.335    50.672  286.216    72.534  196.174 14.905  177.216 24.063  18.95810       28.30531 
1 1 1 3   11 13 o 281.626  13.701  698.591    67.374  707.230    82.559  681.366    116.577 282.250 16.828  274.461 24.587  7.789215       29.79422 
1 1 1 3   11 14 o 160.005  11.103  225.909    30.829  185.526    43.964  264.974    43.241  143.602 17.924  172.753 14.469  -29.15045      23.03514 
1 1 1 3   11 15 f 171.173  11.074  258.416    32.922  245.775    47.178  270.415    45.963  165.878 16.508  174.346 15.252  -8.467773      22.47526 
1 1 1 3   11 16 o 298.791  12.354  785.496    64.451  682.591    91.327  887.598    90.970  276.449 19.036  316.238 16.532  -39.78870      25.21284 
1 1 1 3   11 17 o 181.300  12.298  290.547    38.702  270.162    54.342  311.528    55.131  173.503 18.209  186.723 17.100  -13.21986      24.97964 
1 1 1 3   11 18 o 443.058  14.798  1734.17    114.479 1764.85    161.609 1703.27    162.186 444.405 20.827  436.358 21.287  8.046844       29.78061 
1 1 1 3   11 19 f 267.400  11.272  628.705    52.631  614.000    73.535  644.148    75.361  262.816 16.102  269.212 16.106  -6.396515      22.77444 
1 1 1 3   11 20 o ?        ?       -245.5422  7.5755  -192.4917  9.3127  -349.3123  13.025  ?       ?       ?       ?       0.000000       ?        
1 1 1 3   11 21 o 260.177  11.642  595.843    52.887  546.758    74.867  644.735    74.719  247.398 17.443  269.226 15.966  -21.82741      23.64693 
1 1 1 3   11 22 o 221.574  11.275  433.160    43.477  405.822    61.248  460.927    61.727  213.140 16.588  227.505 15.634  -14.36557      22.79444 
1 1 1 3   11 23 o 379.343  13.366  1271.22    88.530  1121.93    124.861 1422.15    125.542 353.125 20.336  399.327 18.005  -46.20233      27.16172 
1 1 1 3   11 24 o 115.965  13.785  120.560    27.366  115.701    44.767  123.459    34.580  110.991 23.813  116.463 17.549  -5.471504      29.58114 
1 1 1 3   11 25 o 206.683  12.809  378.821    45.998  368.841    78.008  384.141    56.953  200.675 22.660  207.289 15.856  -6.614136      27.65624 
1 1 1 3   11 26 o 307.382  14.265  837.874    76.560  797.036    132.657 858.270    93.749  293.495 26.160  309.470 17.420  -15.97504      31.42977 
1 1 1 3   11 27 o 111.464  14.362  112.028    27.302  135.108    48.179  101.111    33.137  119.736 23.882  104.632 18.830  15.10431       30.41266 
1 1 1 3   11 28 o 275.555  13.628  673.737    65.570  618.610    113.171 701.595    80.449  257.895 25.465  279.677 16.548  -21.78204      30.36907 
1 1 1 3   11 29 o 166.622  12.964  247.626    37.418  252.853    66.262  245.179    45.340  164.449 23.766  164.905 15.945  -0.4558411     28.61963 
1 1 1 3   11 30 o 174.093  12.919  270.456    38.992  246.598    67.074  282.634    47.921  161.749 24.518  177.111 15.657  -15.36122      29.09057 
1 1 1 3   11 31 o 236.785  12.873  499.676    53.025  446.577    64.572  609.624    92.916  222.232 16.764  257.526 20.842  -35.29472      26.74781 
1 1 1 3   11 32 o 220.034  12.669  431.940    48.467  373.934    58.996  552.368    85.006  203.016 16.794  245.153 20.034  -42.13744      26.14146 
1 1 1 3   11 33 o 291.829  13.573  760.712    69.160  685.416    84.340  915.277    120.838 274.347 17.701  313.577 22.213  -39.22992      28.40346 
1 1 1 3   11 34 o 188.176  10.919  315.140    35.722  288.984    49.594  343.340    51.496  178.178 16.115  194.717 15.269  -16.53909      22.19996 
1 1 1 3   11 35 o 149.156  11.153  198.805    28.838  185.629    39.762  213.425    41.885  142.258 16.302  152.805 15.933  -10.54700      22.79518 
1 1 1 3   11 36 o 155.738  12.923  218.694    34.824  237.898    42.058  176.823    62.102  161.571 15.083  132.639 27.708  28.93163       31.54731 
1 1 1 3   11 37 o 134.645  13.409  164.564    31.105  165.162    37.799  163.307    54.747  133.591 16.560  128.269 25.343  5.322235       30.27350 
1 1 1 3   11 38 o 104.686  14.665  101.125    26.070  78.940     31.322  151.147    47.033  90.140  20.379  124.503 22.462  -34.36255      30.32899 
1 1 1 3   11 39 o 77.265   14.510  55.859     18.857  53.052     26.641  58.678     26.694  73.757  20.126  77.603  19.674  -3.845428      28.14429 
1 1 1 3   11 40 o 41.623   16.001  11.524     16.363  -2.2251    23.655  24.141     22.659  40.380  17.660  53.448  19.141  -13.06789      26.04335 
1 1 1 3   11 41 o 137.587  11.681  171.606    27.796  168.907    39.673  174.209    38.956  133.577 17.425  136.073 16.750  -2.495712      24.16985 
1 1 1 3   11 42 o 64.017   19.643  39.901     24.054  65.676     33.188  11.380     34.912  80.290  22.676  52.967  22.263  27.32318       31.77751 
1 1 1 3   11 43 o 67.305   20.085  44.978     25.398  30.957     34.092  62.468     38.075  60.713  23.154  77.577  24.845  -16.86420      33.96103 
1 1 1 3   11 44 o 141.648  16.309  190.725    39.601  146.139    55.554  236.787    56.465  114.995 27.942  153.535 21.665  -38.53925      35.35727 
1 1 1 3   11 45 o 56.391   17.460  30.874     18.956  17.183     23.065  59.366     33.273  48.519  18.901  75.201  23.107  -26.68138      29.85281 
1 1 1 3   11 46 o 42.764   16.121  14.122     16.407  12.793     19.512  17.329     30.314  43.791  17.287  51.926  21.180  -8.135624      27.33869 
1 1 1 3   11 47 o 58.085   17.180  33.538     18.645  35.814     22.281  28.222     34.053  59.775  18.991  57.909  22.844  1.865604       29.70729 
1 1 1 3   11 48 o 73.507   20.053  56.675     26.452  75.092     37.139  37.712     37.685  81.906  24.253  62.607  24.224  19.29930       34.27791 
1 1 1 3   11 49 o 55.243   18.398  30.385     20.778  10.176     32.440  44.442     27.055  49.088  21.074  64.813  20.962  -15.72509      29.72474 
1 1 1 3   11 50 o 126.209  14.317  153.488    30.993  114.080    50.828  176.813    39.104  95.294  28.408  132.861 17.264  -37.56644      33.24266 
1 1 1 3   11 51 o 76.066   15.207  57.661     19.491  44.815     25.575  75.462     30.106  64.417  20.333  83.141  20.792  -18.72398      29.08218 
1 1 1 3   11 52 f 87.802   14.312  75.788     21.185  67.484     28.373  86.250     31.847  78.249  20.515  88.429  20.948  -10.17973      29.32070 
1 1 1 3   11 53 o 78.482   14.895  61.773     19.665  45.804     26.165  82.501     29.810  64.087  20.603  86.680  20.089  -22.59271      28.77565 
1 1 1 3   11 54 o 85.963   13.817  73.049     20.037  54.778     27.735  92.996     28.979  68.975  21.080  93.227  18.456  -24.25208      28.01776 
1 1 1 3   11 55 o 48.392   16.038  23.947     15.796  8.9424     21.476  41.631     23.316  40.985  17.356  60.893  19.435  -19.90798      26.05696 
1 1 1 3   11 56 o 69.557   15.542  50.643     18.400  59.940     24.870  39.400     27.350  72.615  19.289  58.265  21.011  14.35004       28.52244 
1 1 1 3   11 57 o 24.104   11.503  -14.4240   13.508  -8.1935    18.872  -20.9692   19.343  31.556  14.584  28.108  13.508  3.447531       19.87834 
1 1 1 3   12 0  o 15.768   7.6607  -11.6175   6.6586  -29.8640   11.694  -2.8639    8.0998  18.424  9.1735  22.928  10.168  -4.504333      13.69460 
1 1 1 3   12 1  o 107.757  11.657  103.403    21.583  92.200     24.657  140.112    44.634  101.143 14.366  123.257 21.522  -22.11348      25.87634 
1 1 1 3   12 2  o 403.309  14.099  1437.97    99.285  1402.64    114.658 1543.88    198.500 397.399 16.524  409.707 27.914  -12.30780      32.43808 
1 1 1 3   12 3  o 326.276  14.735  942.319    83.944  942.319    83.944  0.0000     0.0000  326.276 14.735  ?       ?       0.000000       14.73470 
1 1 1 3   12 4  o 167.085  12.746  247.680    36.904  247.680    36.904  0.0000     0.0000  167.085 12.746  ?       ?       0.000000       12.74576 
1 1 1 3   12 5  o 294.583  13.880  767.196    71.396  767.196    71.396  0.0000     0.0000  294.583 13.880  ?       ?       0.000000       13.88044 
1 1 1 3   12 6  o 221.571  12.800  434.681    49.309  434.681    49.309  0.0000     0.0000  221.571 12.800  ?       ?       0.000000       12.79982 
1 1 1 3   12 7  o 176.285  12.993  275.846    39.713  275.846    39.713  0.0000     0.0000  176.285 12.993  ?       ?       0.000000       12.99339 
1 1 1 3   12 8  o 103.150  12.255  95.130     21.640  96.294     24.439  90.899     46.575  103.453 13.879  98.009  26.556  5.444016       29.96405 
1 1 1 3   12 9  o 143.934  10.990  183.438    27.411  162.302    31.304  252.922    56.758  134.842 13.476  166.826 19.876  -31.98367      24.01401 
1 1 1 3   12 10 o 118.811  11.074  125.374    22.709  134.613    25.676  92.191     48.660  122.948 12.118  98.568  27.324  24.38066       29.89072 
1 1 1 3   12 11 o 60.923   14.561  34.207     15.279  30.986     16.886  48.752     35.887  58.138  16.089  74.091  24.155  -15.95335      29.02285 
1 1 1 3   12 12 o 158.335  10.341  221.558    28.433  194.195    32.238  317.374    60.327  147.735 12.618  187.347 18.691  -39.61131      22.55184 
1 1 1 3   12 13 o 307.185  13.355  835.273    71.632  680.506    87.008  1160.86    126.197 275.098 18.217  358.448 20.246  -83.35043      27.23516 
1 1 1 3   12 14 o 144.911  10.860  186.079    27.279  178.447    38.592  193.699    38.564  140.678 15.996  146.836 15.265  -6.157349      22.11038 
1 1 1 3   12 15 o 90.255   12.964  73.520     19.844  58.413     28.313  88.107     27.820  78.970  20.392  98.010  16.865  -19.04079      26.46212 
1 1 1 3   12 16 o 207.496  11.057  380.904    39.914  373.663    56.592  388.072    56.302  204.042 16.013  208.100 15.609  -4.058105      22.36174 
1 1 1 3   12 17 o 271.885  11.756  653.414    55.807  629.777    78.866  677.119    78.981  264.573 17.164  274.658 16.546  -10.08469      23.84108 
1 1 1 3   12 18 o 210.866  12.559  395.301    46.032  372.407    78.893  407.118    56.680  200.504 22.948  213.077 15.337  -12.57285      27.60137 
1 1 1 3   12 19 o 37.783   15.623  3.9184     16.786  18.764     29.341  -3.3045    20.466  55.045  21.353  37.741  16.468  17.30457       26.96553 
1 1 1 3   12 20 o 283.488  14.012  715.882    69.357  752.384    121.312 698.157    84.535  283.847 24.724  277.912 17.510  5.935364       30.29658 
1 1 1 3   12 21 o 164.422  13.074  241.837    37.224  281.284    63.894  221.568    45.799  174.069 21.477  156.005 17.093  18.06416       27.44926 
1 1 1 3   12 22 o 242.277  13.887  525.383    58.500  468.301    102.251 553.159    71.327  221.303 27.023  247.325 16.613  -26.02174      31.72132 
1 1 1 3   12 23 o 147.615  11.222  194.197    28.707  183.769    39.859  205.434    41.379  141.949 16.382  150.313 16.012  -8.364288      22.90804 
1 1 1 3   12 24 o 228.541  11.258  463.371    44.925  435.613    63.511  491.170    63.556  218.921 16.742  233.070 15.709  -14.14914      22.95778 
1 1 1 3   12 25 f 223.158  11.274  443.304    43.786  431.842    62.088  454.644    61.757  217.908 16.439  223.900 15.900  -5.992279      22.87072 
1 1 1 3   12 26 o 31.852   13.817  -1.5811    14.233  8.1792     21.142  -9.6693    19.247  43.666  17.735  33.675  15.244  9.990261       23.38588 
1 1 1 3   12 27 o 222.589  11.264  441.978    43.636  384.724    61.743  499.111    61.677  204.584 17.451  234.600 15.138  -30.01535      23.10188 
1 1 1 3   12 28 o 209.103  11.178  390.491    40.663  362.920    57.230  418.602    57.786  198.877 16.633  214.316 15.548  -15.43878      22.76853 
1 1 1 3   12 29 o 33.103   13.929  1.8268     13.691  25.451     19.088  -23.2083   19.650  53.409  17.626  29.503  14.022  23.90600       22.52351 
1 1 1 3   12 30 o 173.221  10.921  268.652    32.862  242.641    46.060  295.620    46.900  162.012 16.513  179.762 15.081  -17.75064      22.36355 
1 1 1 3   12 31 o 141.314  11.209  179.638    27.431  164.761    38.379  195.176    39.222  132.832 16.932  145.347 15.704  -12.51547      23.09390 
1 1 1 3   12 32 o 166.716  12.958  252.471    37.425  243.692    45.577  270.642    65.572  161.949 16.341  165.904 23.277  -3.955246      28.44005 
1 1 1 3   12 33 o 177.687  15.756  292.702    48.377  276.485    66.986  310.380    69.940  166.864 23.653  177.350 23.137  -10.48624      33.08762 
1 1 1 3   12 34 o 168.051  23.132  280.883    66.078  280.883    66.078  0.0000     0.0000  168.051 23.132  ?       ?       0.000000       23.13219 
1 1 1 3   12 35 f 152.854  16.655  220.325    43.733  245.085    59.296  190.792    64.759  156.999 22.253  132.929 28.738  24.07076       36.34691 
1 1 1 3   12 36 f 140.225  15.898  185.260    38.238  185.260    38.238  0.0000     0.0000  140.225 15.898  ?       ?       0.000000       15.89817 
1 1 1 3   12 37 o 43.756   19.014  1.1264     27.043  1.1264     27.043  0.0000     0.0000  43.756  19.014  ?       ?       0.000000       19.01364 
1 1 1 3   12 38 o 90.548   25.450  89.152     41.910  89.152     41.910  0.0000     0.0000  90.548  25.450  ?       ?       0.000000       25.45008 
1 1 1 3   12 39 o 34.151   15.410  -7.0406    19.494  -7.0406    19.494  0.0000     0.0000  34.151  15.410  ?       ?       0.000000       15.41048 
1 1 1 3   12 40 o 40.994   16.603  9.3338     18.474  13.696     21.582  -2.6223    35.730  45.456  18.106  47.382  21.162  -1.926258      27.85063 
1 1 1 3   12 41 o 114.766  14.300  125.365    28.035  113.396    34.060  150.507    49.366  105.779 19.146  116.894 24.946  -11.11476      31.44642 
1 1 1 3   12 42 o 114.602  14.916  126.512    29.140  116.523    35.217  148.200    51.892  106.421 19.677  113.377 26.661  -6.955414      33.13549 
1 1 1 3   12 43 o 53.570   17.141  28.507     18.127  26.681     26.154  30.196     25.148  53.923  20.348  55.719  20.140  -1.795746      28.62915 
1 1 1 3   12 44 o 156.428  14.613  236.162    39.450  199.197    73.037  251.389    46.877  119.655 33.585  158.607 17.203  -38.95193      37.73423 
1 1 1 3   12 45 o 118.396  15.585  138.454    31.435  156.366    57.677  130.886    37.492  110.055 29.440  111.068 20.071  -1.012428      35.63087 
1 1 1 3   12 46 f 108.699  15.918  118.237    29.317  101.412    55.462  124.761    34.537  85.247  30.008  109.092 18.811  -23.84534      35.41674 
1 1 1 3   12 47 o 105.788  16.351  113.603    29.228  69.135     53.231  132.796    34.972  72.103  28.524  112.466 18.449  -40.36221      33.97034 
1 1 1 3   12 48 o 27.747   12.602  -5.2457    13.288  2.1074     16.876  -17.2419   21.555  34.759  15.062  31.580  14.913  3.179581       21.19561 
1 1 1 3   12 49 o 58.554   16.191  36.097     17.109  37.715     22.580  33.917     26.217  58.471  19.165  55.883  20.507  2.587608       28.06874 
1 1 1 3   12 50 o 34.662   14.346  6.4060     14.172  11.221     18.089  -1.2460    22.803  40.109  16.360  37.386  16.787  2.722912       23.44065 
1 1 1 3   12 51 o 56.265   16.382  34.125     17.071  16.699     22.209  59.286     26.686  44.704  18.169  70.799  20.445  -26.09534      27.35155 
1 1 1 3   12 52 o 24.365   11.489  -10.9378   12.711  -26.7947   15.464  22.091     22.318  22.824  11.212  47.270  18.543  -24.44622      21.66889 
1 1 1 3   13 0  o 51.156   15.899  23.507     15.701  23.507     15.701  0.0000     0.0000  51.156  15.899  ?       ?       0.000000       15.89866 
1 1 1 3   13 1  o 213.012  13.244  405.927    49.017  405.927    49.017  0.0000     0.0000  213.012 13.244  ?       ?       0.000000       13.24440 
1 1 1 3   13 2  o 62.194   14.169  35.911     15.043  29.208     17.047  59.501     31.979  56.312  16.363  79.020  22.238  -22.70872      27.60968 
1 1 1 3   13 3  o 194.046  12.825  336.711    43.207  262.324    52.972  484.585    74.686  169.081 18.231  230.033 18.758  -60.95180      26.15789 
1 1 1 3   13 4  o 111.836  12.983  112.864    24.881  124.557    31.336  92.916     40.929  116.701 15.783  97.876  24.108  18.82574       28.81479 
1 1 1 3   13 5  o 202.126  12.813  365.396    44.986  342.554    55.205  410.545    77.613  194.192 16.435  209.954 21.473  -15.76204      27.04123 
1 1 1 3   13 6  o 337.511  15.061  1023.33    88.755  979.828    108.836 1109.69    153.351 326.958 19.148  341.438 25.916  -14.48053      32.22213 
1 1 1 3   13 7  o 237.744  13.133  505.945    54.306  500.511    66.768  516.567    93.349  234.863 16.384  234.349 23.114  0.5139923      28.33193 
1 1 1 3   13 8  o 91.432   15.213  77.033     23.434  46.018     29.574  129.360    38.413  70.213  21.820  117.509 19.399  -47.29659      29.19607 
1 1 1 3   13 9  o 116.482  13.703  122.998    27.338  114.551    33.985  138.484    46.018  110.831 18.193  120.163 22.766  -9.331650      29.14255 
1 1 1 3   13 10 o 118.951  13.490  128.141    27.522  118.345    33.036  150.365    49.760  112.965 17.299  124.788 23.704  -11.82318      29.34513 
1 1 1 3   13 11 o 215.878  12.431  417.132    46.658  341.832    56.517  578.301    82.684  193.313 16.914  250.338 19.059  -57.02574      25.48216 
1 1 1 3   13 12 o 127.948  12.898  147.783    28.421  120.049    33.804  214.674    52.498  113.547 17.621  151.135 20.416  -37.58858      26.96900 
1 1 1 3   13 13 o 86.398   17.678  70.457     25.770  13.735     34.180  145.169    39.228  54.857  22.445  124.571 18.605  -69.71307      29.15400 
1 1 1 3   13 14 o 125.711  15.548  145.092    33.400  76.842     44.147  236.443    51.075  88.030  26.528  159.341 18.714  -71.31113      32.46503 
1 1 1 3   13 15 o 330.760  18.462  1010.64    106.199 708.342    150.041 1314.12    150.337 260.743 33.748  371.378 23.302  -110.6353      41.01104 
1 1 1 3   13 16 o 67.286   20.760  42.834     26.825  73.856     38.041  12.153     37.832  86.359  24.238  56.045  23.337  30.31427       33.64673 
1 1 1 3   13 17 o 264.547  16.661  642.803    76.565  508.254    107.211 782.855    109.381 225.488 27.820  286.910 22.002  -61.42134      35.46875 
1 1 1 3   13 18 o 69.361   17.024  45.865     20.465  46.323     23.525  44.442     41.496  69.429  18.899  70.947  25.835  -1.518097      32.00996 
1 1 1 3   13 19 o 144.059  12.777  188.091    31.806  158.343    37.725  261.210    59.144  130.250 16.992  165.255 20.969  -35.00438      26.98969 
1 1 1 3   13 20 o 86.616   14.768  69.960     21.534  61.367     26.335  87.299     37.408  79.531  19.185  93.514  23.056  -13.98280      29.99448 
1 1 1 3   13 21 o 79.017   16.331  59.342     21.787  51.253     27.656  72.576     35.373  72.378  20.787  85.057  23.183  -12.67943      31.13811 
1 1 1 3   13 22 o 152.046  12.794  210.270    33.650  205.689    41.773  218.738    56.792  148.506 16.382  149.225 22.495  -0.7187347     27.82823 
1 1 1 3   13 23 o 142.828  13.138  186.425    32.397  161.712    39.784  235.067    55.816  130.481 17.937  155.444 21.111  -24.96304      27.70186 
1 1 1 3   13 24 o 181.970  12.677  301.413    40.027  295.312    49.395  313.081    68.308  177.940 16.072  178.086 22.467  -0.1464081     27.62403 
1 1 1 3   13 25 o 65.964   17.332  42.293     20.222  72.004     25.730  -5.7160    32.707  86.201  17.688  45.640  20.326  40.56073       26.94412 
1 1 1 3   13 26 f 124.448  13.861  143.494    29.607  128.221    37.120  170.199    49.083  114.623 19.228  130.124 22.412  -15.50159      29.52975 
1 1 1 3   13 27 o 78.843   20.587  62.787     28.648  62.787     28.648  0.0000     0.0000  78.843  20.587  ?       ?       0.000000       20.58739 
1 1 1 3   13 28 o 110.784  18.713  120.316    34.909  120.316    34.909  0.0000     0.0000  110.784 18.713  ?       ?       0.000000       18.71346 
1 1 1 3   13 29 o 55.257   19.763  27.640     24.146  27.640     24.146  0.0000     0.0000  55.257  19.763  ?       ?       0.000000       19.76257 
1 1 1 3   13 30 o 167.680  15.921  267.482    46.054  267.482    46.054  0.0000     0.0000  167.680 15.921  ?       ?       0.000000       15.92079 
1 1 1 3   13 31 o 149.292  12.832  206.850    33.125  204.419    40.430  211.814    57.776  145.967 16.133  141.135 24.323  4.832260       29.18711 
1 1 1 3   13 32 o 66.798   17.637  44.898     20.875  47.454     25.230  39.352     37.167  67.861  19.961  63.883  24.220  3.978092       31.38586 
1 1 1 3   13 33 o 112.924  12.419  119.079    24.083  150.419    33.338  84.875     34.828  124.816 15.640  88.777  22.453  36.03987       27.36361 
1 1 1 3   13 34 o 131.938  11.686  161.454    26.643  147.171    37.095  176.671    38.290  121.217 18.079  134.153 16.708  -12.93581      24.61769 
1 1 1 3   13 35 o 104.587  17.669  110.088    31.116  108.110    43.071  112.247    45.003  97.009  25.201  98.220  25.878  -1.210556      36.12170 
1 1 1 3   13 36 o 133.984  11.342  166.865    26.284  125.686    36.307  212.212    38.100  109.811 19.658  148.033 14.945  -38.22229      24.69355 
1 1 1 3   13 37 o 175.863  11.181  287.185    34.155  248.916    47.460  328.299    49.193  156.986 17.618  183.146 15.529  -26.15915      23.48538 
1 1 1 3   13 38 o 60.758   16.053  37.728     17.286  22.664     22.864  57.827     26.411  49.941  18.982  72.817  20.109  -22.87586      27.65273 
1 1 1 3   13 39 o 90.969   16.520  84.301     25.273  65.480     42.529  94.576     31.423  72.458  26.190  93.611  19.841  -21.15292      32.85712 
1 1 1 3   13 40 o 96.088   17.404  95.897     28.125  90.684     48.959  98.464     34.360  81.508  28.223  93.492  21.497  -11.98389      35.47800 
1 1 1 3   13 41 o 77.609   18.503  65.119     24.721  37.608     45.108  76.929     29.554  60.079  25.282  82.685  20.558  -22.60620      32.58498 
1 1 1 3   13 42 o 57.779   21.039  37.138     27.519  88.466     38.423  -16.9176   39.431  83.623  24.643  42.935  20.243  40.68761       31.89143 
1 1 1 3   13 43 o 110.894  15.614  125.899    29.397  127.138    34.905  122.877    54.521  107.505 19.305  89.748  29.798  17.75726       35.50476 
1 1 1 3   13 44 o 43.973   17.525  16.546     20.232  44.735     24.534  -43.3677   35.768  62.041  19.951  35.501  17.359  26.54010       26.44565 
1 1 1 3   13 45 o 87.764   17.848  84.600     26.419  89.679     32.536  74.769     45.266  85.997  21.675  70.782  26.755  15.21519       34.43282 
1 1 1 3   13 46 o 52.384   17.376  30.441     18.540  14.269     25.345  49.054     27.191  44.172  18.786  62.857  21.048  -18.68545      28.21264 
1 1 1 3   13 47 o 45.401   16.782  21.386     17.607  42.031     23.496  -5.0576    26.592  58.974  19.561  37.504  17.326  21.46968       26.13031 
1 1 1 3   14 0  o 118.851  10.741  127.600    22.049  111.430    25.449  176.271    44.153  109.915 13.547  135.359 19.222  -25.44341      23.51581 
1 1 1 3   14 1  o 56.703   15.932  30.646     16.427  23.014     19.218  51.346     31.652  51.158  17.684  71.955  22.608  -20.79688      28.70301 
1 1 1 3   14 2  o 209.697  12.571  399.579    45.816  360.464    55.673  481.657    80.646  196.473 16.378  222.835 20.974  -26.36102      26.61070 
1 1 1 3   14 3  o 71.226   13.548  47.585     16.234  36.962     18.306  86.697     35.127  61.952  16.591  92.791  22.013  -30.83883      27.56493 
1 1 1 3   14 4  o 81.449   12.728  61.442     17.509  57.882     19.879  73.760     36.978  78.140  15.116  84.711  23.939  -6.570953      28.31260 
1 1 1 3   14 5  o 35.015   13.744  7.1387     12.267  7.9880     13.584  3.3837     28.564  36.816  14.459  46.081  19.779  -9.264938      24.50029 
1 1 1 3   14 6  o 68.106   14.101  43.886     16.217  40.623     18.636  54.063     32.912  64.849  16.437  73.355  23.055  -8.506256      28.31424 
1 1 1 3   14 7  o 197.912  13.271  358.613    45.595  300.354    56.145  471.452    78.137  177.312 18.403  220.216 20.559  -42.90375      27.59202 
1 1 1 3   14 8  o 118.532  13.350  129.674    27.150  147.368    33.703  96.967     45.823  125.173 15.770  95.239  26.556  29.93369       30.88572 
1 1 1 3   14 9  o 235.559  13.625  509.572    55.799  447.884    68.315  633.220    96.717  216.634 18.230  252.876 22.127  -36.24207      28.66942 
1 1 1 3   14 10 o 128.568  12.743  151.885    28.230  157.374    35.150  141.911    47.381  129.152 15.924  117.322 23.940  11.82935       28.75221 
1 1 1 3   14 11 o 56.190   16.536  30.345     17.311  35.869     21.547  20.288     29.075  60.733  18.584  53.518  21.110  7.214897       28.12409 
1 1 1 3   14 12 o 32.754   13.421  4.2042     12.243  -2.9213    13.463  38.246     29.427  29.849  13.179  63.187  21.881  -33.33804      25.54326 
1 1 1 3   14 13 f 108.887  11.848  108.834    22.162  98.733     25.262  142.579    46.173  102.418 14.534  117.498 23.329  -15.08012      27.48579 
1 1 1 3   14 14 o 55.726   18.864  29.142     21.844  22.984     26.485  42.245     38.631  53.491  20.406  66.758  24.821  -13.26634      32.13242 
1 1 1 3   14 15 o 107.645  15.653  110.489    28.560  100.778    34.756  130.678    50.115  99.757  20.635  109.307 26.526  -9.549835      33.60708 
1 1 1 3   14 16 o 176.574  12.960  288.011    39.679  254.157    48.273  358.526    69.670  162.422 17.287  188.512 21.554  -26.09013      27.62991 
1 1 1 3   14 17 o 130.901  13.478  159.872    30.365  149.573    36.383  183.511    55.122  124.125 17.254  131.009 25.009  -6.884415      30.38333 
1 1 1 3   14 18 o 51.218   14.965  25.267     14.223  22.423     15.536  39.993     35.354  48.868  15.891  64.279  23.776  -15.41114      28.59734 
1 1 1 3   14 19 o 116.650  14.051  128.468    28.043  126.365    33.699  133.205    50.572  113.377 17.593  108.742 26.805  4.634476       32.06313 
1 1 1 3   14 20 o 202.278  10.956  373.850    38.550  320.840    54.081  428.608    54.965  181.487 17.275  212.703 14.894  -31.21645      22.80862 
1 1 1 3   14 21 o 129.979  11.926  156.544    26.765  112.051    37.694  201.788    38.010  103.245 21.603  145.186 15.220  -41.94088      26.42628 
1 1 1 3   14 22 o 117.291  14.512  131.529    29.087  134.939    35.448  124.501    50.887  116.208 18.056  102.707 27.728  13.50120       33.08891 
1 1 1 3   14 23 o 53.411   17.805  27.890     19.458  15.846     23.298  55.665     35.381  47.121  18.798  71.102  24.009  -23.98061      30.49244 
1 1 1 3   14 24 o 46.875   16.958  19.660     17.837  13.765     20.944  35.221     34.030  44.614  17.815  60.252  23.096  -15.63826      29.16866 
1 1 1 3   14 25 o 161.853  13.175  247.649    36.911  264.469    45.420  214.937    63.343  164.357 16.031  134.409 27.903  29.94756       32.18058 
1 1 1 3   14 26 o 86.740   16.622  75.755     24.258  72.967     37.012  77.854     32.119  79.255  24.374  84.112  21.719  -4.857582      32.64659 
1 1 1 3   14 27 o 96.084   15.573  91.537     25.233  86.169     38.776  95.479     33.232  85.542  24.628  93.948  20.807  -8.406494      32.24058 
1 1 1 3   14 28 o 36.744   15.240  6.3894     16.041  3.2038     21.854  10.111     23.621  39.458  17.119  43.687  18.334  -4.229015      25.08427 
1 1 1 3   14 29 o 98.031   16.873  98.042     27.840  91.198     31.588  121.860    58.927  91.553  20.293  92.223  30.985  -0.6700668     37.03899 
1 1 1 3   14 30 o 76.357   18.897  62.858     25.058  76.998     28.127  8.4695     55.163  84.260  19.504  55.329  25.338  28.93112       31.97474 
1 1 1 3   14 31 o 38.453   15.295  10.388     15.384  7.9605     19.901  13.992     24.250  39.966  16.804  45.309  18.760  -5.342686      25.18568 
1 1 1 3   14 32 o 112.088  12.923  121.759    24.828  116.994    34.326  126.987    35.956  103.529 19.709  107.824 19.829  -4.295372      27.95744 
1 1 1 3   14 33 o 36.182   14.894  7.3993     15.162  31.710     20.538  -21.7211   22.478  54.446  18.293  31.016  14.812  23.42953       23.53770 
1 1 1 3   14 34 o 30.892   13.622  -0.6379    14.338  5.5639     19.202  -8.4527    21.555  37.895  16.240  34.014  15.673  3.880486       22.56919 
1 1 1 3   14 35 o 136.280  14.704  187.346    34.435  197.826    59.209  181.990    42.330  119.135 28.785  128.193 19.528  -9.058182      34.78399 
1 1 1 3   14 36 o 50.028   17.782  26.528     19.519  15.533     31.397  33.455     24.920  47.506  20.565  54.595  20.000  -7.088322      28.68642 
1 1 1 3   14 37 o 132.175  13.977  176.069    31.767  144.827    51.266  195.542    40.474  99.191  28.242  134.254 17.697  -35.06358      33.32863 
1 1 1 3   14 38 o 65.129   18.262  48.664     21.606  57.023     34.419  43.227     27.756  64.942  23.548  59.153  21.185  5.788944       31.67486 
1 1 1 3   14 39 f 32.224   13.974  2.6484     14.547  17.224     18.549  -20.6373   23.446  42.926  16.884  31.262  14.983  11.66421       22.57296 
1 1 1 3   14 40 o 52.557   16.316  30.859     16.540  24.848     21.758  39.087     25.458  47.846  18.436  56.123  20.267  -8.276863      27.39750 
1 1 1 3   15 0  o 63.723   18.080  41.935     21.049  42.498     29.530  41.353     30.011  63.376  21.920  62.727  22.075  0.6488419      31.10965 
1 1 1 3   15 1  f 52.829   17.422  27.584     18.649  39.105     25.295  13.866     27.602  61.232  20.295  48.025  19.961  13.20656       28.46625 
1 1 1 3   15 2  o 174.310  15.666  295.921    47.173  230.593    65.819  364.921    67.643  139.120 28.064  186.104 21.195  -46.98312      35.16800 
1 1 1 3   15 3  o 169.637  15.273  279.143    44.752  221.801    61.955  341.704    64.713  138.110 26.657  180.288 20.948  -42.17751      33.90283 
1 1 1 3   15 4  o 162.730  14.796  255.651    41.581  174.150    56.619  351.077    61.265  120.719 27.478  185.027 19.245  -64.30773      33.54715 
1 1 1 3   15 5  o 151.471  15.252  223.211    39.789  174.253    53.928  281.703    58.946  122.445 26.026  163.003 21.213  -40.55898      33.57609 
1 1 1 3   15 6  o 55.447   16.061  30.977     16.446  26.118     18.716  47.443     34.452  51.564  17.462  65.745  23.596  -14.18073      29.35476 
1 1 1 3   15 7  o 65.653   15.853  43.520     17.968  26.845     20.730  93.895     36.031  52.366  18.352  91.686  22.641  -39.32017      29.14451 
1 1 1 3   15 8  o 120.984  13.269  139.778    27.570  142.954    33.467  133.073    48.633  119.753 16.439  105.275 26.481  14.47748       31.16887 
1 1 1 3   15 9  o 41.722   15.104  15.262     14.152  21.782     16.810  -0.6061    26.224  47.756  16.538  41.047  18.245  6.709316       24.62452 
1 1 1 3   15 10 o 104.115  12.184  102.658    21.730  97.614     25.169  117.423    43.064  99.633  14.928  100.128 24.768  -0.4949036     28.91903 
1 1 1 3   15 11 o 49.081   15.866  23.829     15.500  18.151     18.713  36.239     27.665  45.661  17.216  58.773  21.139  -13.11172      27.26285 
1 1 1 3   15 12 o 113.225  13.071  122.955    25.367  102.230    30.624  168.266    45.280  98.999  18.393  123.853 21.731  -24.85400      28.46988 
1 1 1 3   15 13 o 95.197   12.315  86.495     19.990  73.845     23.364  121.054    38.617  85.245  16.291  104.243 21.912  -18.99841      27.30420 
1 1 1 3   15 14 o 79.831   13.387  62.179     18.000  45.194     20.791  113.010    35.967  65.352  17.757  101.316 21.020  -35.96384      27.51645 
1 1 1 3   15 15 o 31.259   13.271  2.5455     12.608  -5.9264    13.789  45.739     31.135  28.088  12.788  63.495  22.469  -35.40759      25.85345 
1 1 1 3   15 16 f 49.928   19.365  22.915     24.129  22.915     24.129  0.0000     0.0000  49.928  19.365  ?       ?       0.000000       19.36481 
1 1 1 3   15 17 o 34.166   15.408  -4.2022    19.453  -4.2022    19.453  0.0000     0.0000  34.166  15.408  ?       ?       0.000000       15.40784 
1 1 1 3   15 18 o ?        ?       -48.7992   6.2109  -48.7992   6.2109  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 3   15 19 o 50.734   18.616  25.970     21.603  25.970     21.603  0.0000     0.0000  50.734  18.616  ?       ?       0.000000       18.61563 
1 1 1 3   15 20 o 63.802   19.722  45.954     24.198  45.954     24.198  0.0000     0.0000  63.802  19.722  ?       ?       0.000000       19.72219 
1 1 1 3   15 21 o 52.911   15.492  29.164     15.228  21.351     16.596  70.792     38.307  46.387  16.406  73.546  24.981  -27.15896      29.88656 
1 1 1 3   15 22 o 118.768  14.585  141.835    29.610  124.747    35.014  184.741    55.481  105.980 19.645  117.616 27.507  -11.63519      33.80116 
1 1 1 3   15 23 o 50.744   16.938  27.256     17.607  43.616     24.098  8.5198     25.788  61.537  19.771  42.764  18.575  18.77315       27.12810 
1 1 1 3   15 24 o 122.815  12.590  147.558    26.617  130.690    37.068  165.513    38.244  106.584 20.664  123.284 18.323  -16.69997      27.61776 
1 1 1 3   15 25 o 53.260   17.000  30.901     17.838  48.604     23.330  5.9882     27.676  64.791  19.231  42.374  18.793  22.41719       26.88879 
1 1 1 3   15 26 o 36.563   15.222  7.9218     16.091  9.6298     20.957  5.4687     25.115  40.287  17.107  40.710  17.986  -0.4232025     24.82264 
1 1 1 3   15 27 o 61.633   17.645  42.963     19.955  14.258     27.858  73.215     28.598  45.086  19.444  77.756  20.698  -32.67040      28.39887 
1 1 1 3   15 28 o 78.094   15.790  65.379     20.791  73.957     28.764  55.994     30.087  77.640  20.799  65.475  22.140  12.16492       30.37715 
1 1 1 3   15 29 o 37.372   15.626  9.0400     17.060  -8.3638    20.765  45.184     29.925  32.593  15.145  58.962  21.861  -26.36943      26.59445 
1 1 1 3   15 30 o 90.520   20.189  99.111     31.098  118.180    56.371  90.769     37.285  78.336  29.798  79.612  24.460  -1.275757      38.55121 
1 1 1 3   15 31 o 52.739   20.514  34.367     27.138  20.648     47.875  40.862     32.942  50.178  23.204  55.393  22.263  -5.215427      32.15696 
1 1 1 3   15 32 o 66.681   19.751  56.222     24.628  48.153     43.696  59.979     29.815  56.536  24.368  65.701  22.040  -9.165562      32.85637 
1 1 1 3   16 0  o 43.968   15.233  19.524     14.262  18.580     16.881  21.878     26.659  43.791  16.383  48.300  19.799  -4.508755      25.69875 
1 1 1 3   16 1  o 107.317  11.979  112.433    22.064  105.574    25.840  130.891    42.390  100.975 15.121  100.459 24.407  0.5164871      28.71172 
1 1 1 3   16 2  o 53.494   14.978  30.318     14.546  41.430     17.004  0.0004     28.086  62.183  15.668  40.362  18.327  21.82096       24.11149 
1 1 1 3   16 3  o 41.563   15.125  16.670     14.218  9.0500     16.751  36.303     26.888  37.588  15.580  55.587  20.700  -17.99906      25.90802 
1 1 1 3   16 4  o 26.413   11.933  -3.5050    11.730  -7.5246    12.910  15.518     28.085  25.922  12.009  45.790  19.632  -19.86844      23.01395 
1 1 1 3   16 5  o 172.008  11.208  284.661    33.477  228.796    38.460  459.349    68.009  148.874 15.000  200.719 19.657  -51.84557      24.72653 
1 1 1 3   16 6  o 122.344  14.421  153.294    30.214  97.826     37.251  259.960    51.657  85.878  23.943  149.669 20.290  -63.79066      31.38386 
1 1 1 3   16 7  o 113.696  11.858  126.493    23.195  96.773     26.349  228.804    48.889  94.806  16.518  139.529 20.694  -44.72334      26.47796 
1 1 1 3   16 8  o 41.021   15.449  15.896     15.060  16.849     16.748  11.872     34.420  42.237  16.200  46.283  20.714  -4.046570      26.29657 
1 1 1 3   16 9  o 29.839   13.140  0.1917     13.298  -1.2255    15.087  5.1296     28.161  30.786  13.750  41.614  18.672  -10.82870      23.18913 
1 1 1 3   16 10 o 61.576   17.257  42.981     19.298  42.981     19.298  0.0000     0.0000  61.576  17.257  ?       ?       0.000000       17.25681 
1 1 1 3   16 11 f 100.700  15.539  107.753    26.442  107.753    26.442  0.0000     0.0000  100.700 15.539  ?       ?       0.000000       15.53868 
1 1 1 3   16 12 o 88.293   17.170  86.669     25.517  86.669     25.517  0.0000     0.0000  88.293  17.170  ?       ?       0.000000       17.17000 
1 1 1 3   16 13 o 48.994   17.223  26.806     18.264  26.806     18.264  0.0000     0.0000  48.994  17.223  ?       ?       0.000000       17.22254 
1 1 1 3   16 14 o 54.017   17.565  33.891     18.980  33.891     18.980  0.0000     0.0000  54.017  17.565  ?       ?       0.000000       17.56452 
1 1 1 3   16 15 o 96.343   13.423  95.435     21.966  92.185     25.736  104.156    42.159  90.974  16.821  81.757  26.139  9.217606       31.08346 
1 1 1 3   16 16 o 35.101   14.459  8.5892     14.302  15.341     16.987  -7.8473    26.504  40.614  16.099  36.045  16.868  4.569496       23.31722 
1 1 1 3   16 17 o 55.453   16.996  35.879     18.014  40.776     21.740  25.149     32.178  57.454  18.804  48.509  20.909  8.945007       28.12112 
1 1 1 3   16 18 o 50.284   18.952  30.600     22.673  44.966     29.173  8.6872     36.029  57.124  21.504  44.031  20.279  13.09382       29.55788 
1 1 1 3   16 19 o 89.209   15.116  86.593     22.704  72.283     25.761  136.382    48.051  76.257  19.324  89.009  27.838  -12.75247      33.88726 
1 1 1 3   16 20 o 39.825   17.026  12.290     21.012  16.730     25.688  3.3127     36.529  43.229  18.658  42.325  19.805  0.9042969      27.20962 
1 1 1 4   0  0  o 216.665  14.999  416.051    56.119  416.051    56.119  416.051    56.119  216.665 14.999  216.665 14.999  0.000000       0.000000 
1 1 1 4   0  1  o 47.278   20.718  28.033     17.846  28.033     17.846  28.033     17.846  47.278  20.718  47.278  20.718  0.000000       0.000000 
1 1 1 4   0  2  o 268.618  23.144  645.143    106.697 645.143    106.697 645.143    106.697 268.618 23.144  268.618 23.144  0.000000       0.000000 
1 1 1 4   0  3  o 414.503  28.527  1525.90    204.222 1525.90    204.222 1525.90    204.222 414.503 28.527  414.503 28.527  0.000000       0.000000 
1 1 1 4   0  4  o 187.441  21.177  318.824    67.031  318.824    67.031  318.824    67.031  187.441 21.177  187.441 21.177  0.000000       0.000000 
1 1 1 4   0  5  o 43.293   19.917  23.864     16.514  23.864     16.514  23.864     16.514  43.293  19.917  43.293  19.917  0.000000       0.000000 
1 1 1 4   0  6  o 678.753  40.569  4091.68    476.875 4091.68    476.875 4091.68    476.875 678.753 40.569  678.753 40.569  0.000000       0.000000 
1 1 1 4   0  7  o 1893.95  73.398  32152.76   2418.99 32152.76   2418.99 32152.76   2418.99 1893.95 73.398  1893.95 73.398  0.000000       0.000000 
1 1 1 4   0  8  o 385.299  19.055  1307.53    127.477 1307.53    127.477 1307.53    127.477 385.299 19.055  385.299 19.055  0.000000       0.000000 
1 1 1 4   0  9  o 372.257  18.701  1220.78    120.851 1220.78    120.851 1220.78    120.851 372.257 18.701  372.257 18.701  0.000000       0.000000 
1 1 1 4   0  10 o 424.798  20.209  1588.97    149.126 1588.97    149.126 1588.97    149.126 424.798 20.209  424.798 20.209  0.000000       0.000000 
1 1 1 4   0  11 o 1337.10  51.823  15872.70   1205.77 15872.70   1205.77 15872.70   1205.77 1337.10 51.823  1337.10 51.823  0.000000       0.000000 
1 1 1 4   0  12 o 268.238  16.086  635.693    74.721  635.693    74.721  635.693    74.721  268.238 16.086  268.238 16.086  0.000000       0.000000 
1 1 1 4   0  13 o 220.745  15.093  431.837    57.550  431.837    57.550  431.837    57.550  220.745 15.093  220.745 15.093  0.000000       0.000000 
1 1 1 4   0  14 o 410.672  19.719  1485.58    140.655 1485.58    140.655 1485.58    140.655 410.672 19.719  410.672 19.719  0.000000       0.000000 
1 1 1 4   0  15 o 71.856   15.638  51.028     17.192  51.028     17.192  51.028     17.192  71.856  15.638  71.856  15.638  0.000000       0.000000 
1 1 1 4   0  16 o 162.789  21.019  243.253    57.003  243.253    57.003  243.253    57.003  162.789 21.019  162.789 21.019  0.000000       0.000000 
1 1 1 4   0  17 o 161.168  20.997  238.665    56.315  238.665    56.315  238.665    56.315  161.168 20.997  161.168 20.997  0.000000       0.000000 
1 1 1 4   0  18 o 484.408  31.617  2089.17    264.810 2089.17    264.810 2089.17    264.810 484.408 31.617  484.408 31.617  0.000000       0.000000 
1 1 1 4   0  19 o 42.331   20.069  22.998     16.856  22.998     16.856  22.998     16.856  42.331  20.069  42.331  20.069  0.000000       0.000000 
1 1 1 4   0  20 o 800.210  32.656  5669.85    454.554 5669.85    454.554 5669.85    454.554 800.210 32.656  800.210 32.656  0.000000       0.000000 
1 1 1 4   0  21 o 453.312  30.320  1833.41    237.521 1833.41    237.521 1833.41    237.521 453.312 30.320  453.312 30.320  0.000000       0.000000 
1 1 1 4   0  22 o 404.374  19.674  1443.38    138.165 1443.38    138.165 1443.38    138.165 404.374 19.674  404.374 19.674  0.000000       0.000000 
1 1 1 4   0  23 o 44.496   17.045  23.549     12.507  23.549     12.507  23.549     12.507  44.496  17.045  44.496  17.045  0.000000       0.000000 
1 1 1 4   0  24 o 33.585   17.838  14.211     14.110  14.211     14.110  14.211     14.110  33.585  17.838  33.585  17.838  0.000000       0.000000 
1 1 1 4   0  25 o 186.774  21.351  318.034    67.278  318.034    67.278  318.034    67.278  186.774 21.351  186.774 21.351  0.000000       0.000000 
1 1 1 4   0  26 o 373.237  18.295  1230.65    118.577 1230.65    118.577 1230.65    118.577 373.237 18.295  373.237 18.295  0.000000       0.000000 
1 1 1 4   0  27 o 677.980  27.961  4079.75    329.719 4079.75    329.719 4079.75    329.719 677.980 27.961  677.980 27.961  0.000000       0.000000 
1 1 1 4   0  28 o 78.511   23.722  67.019     28.364  67.019     28.364  67.019     28.364  78.511  23.722  78.511  23.722  0.000000       0.000000 
1 1 1 4   0  29 o 205.642  21.630  383.819    75.701  383.819    75.701  383.819    75.701  205.642 21.630  205.642 21.630  0.000000       0.000000 
1 1 1 4   0  30 o 19.902   12.333  2.3581     8.5313  2.3581     8.5313  2.3581     8.5313  19.902  12.333  19.902  12.333  0.000000       0.000000 
1 1 1 4   0  31 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 4   0  32 o 201.175  14.289  359.617    49.611  359.617    49.611  359.617    49.611  201.175 14.289  201.175 14.289  0.000000       0.000000 
1 1 1 4   0  33 o 576.327  24.836  2938.74    248.868 2938.74    248.868 2938.74    248.868 576.327 24.836  576.327 24.836  0.000000       0.000000 
1 1 1 4   0  34 o ?        ?       -27.1035   2.9145  -27.1035   2.9145  -27.1035   2.9145  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 4   0  35 o 171.130  14.456  261.690    42.487  261.690    42.487  261.690    42.487  171.130 14.456  171.130 14.456  0.000000       0.000000 
1 1 1 4   0  36 o 69.344   17.963  49.668     18.796  49.668     18.796  49.668     18.796  69.344  17.963  69.344  17.963  0.000000       0.000000 
1 1 1 4   0  37 o 577.160  24.823  2943.59    249.105 2943.59    249.105 2943.59    249.105 577.160 24.823  577.160 24.823  0.000000       0.000000 
1 1 1 4   0  38 o 233.604  14.997  483.431    60.592  483.431    60.592  483.431    60.592  233.604 14.997  233.604 14.997  0.000000       0.000000 
1 1 1 4   0  39 o 708.873  29.160  4449.94    359.543 4449.94    359.543 4449.94    359.543 708.873 29.160  708.873 29.160  0.000000       0.000000 
1 1 1 4   0  40 o 532.192  33.992  2534.36    312.913 2534.36    312.913 2534.36    312.913 532.192 33.992  532.192 33.992  0.000000       0.000000 
1 1 1 4   0  41 o 94.897   26.202  95.031     37.548  95.031     37.548  95.031     37.548  94.897  26.202  94.897  26.202  0.000000       0.000000 
1 1 1 4   0  42 o 242.256  22.987  529.216    95.223  529.216    95.223  529.216    95.223  242.256 22.987  242.256 22.987  0.000000       0.000000 
1 1 1 4   0  43 o 652.568  27.056  3770.91    307.077 3770.91    307.077 3770.91    307.077 652.568 27.056  652.568 27.056  0.000000       0.000000 
1 1 1 4   0  44 o 330.726  17.481  966.695    100.306 966.695    100.306 966.695    100.306 330.726 17.481  330.726 17.481  0.000000       0.000000 
1 1 1 4   0  45 o 242.881  15.738  523.205    66.102  523.205    66.102  523.205    66.102  242.881 15.738  242.881 15.738  0.000000       0.000000 
1 1 1 4   0  46 o 296.255  16.832  776.758    86.427  776.758    86.427  776.758    86.427  296.255 16.832  296.255 16.832  0.000000       0.000000 
1 1 1 4   0  47 o 11.410   8.3748  -30.2982   11.099  -30.2982   11.099  -30.2982   11.099  11.410  8.3748  11.410  8.3748  0.000000       0.000000 
1 1 1 4   0  48 o 356.009  18.313  1121.32    113.147 1121.32    113.147 1121.32    113.147 356.009 18.313  356.009 18.313  0.000000       0.000000 
1 1 1 4   0  49 o 467.645  21.160  1935.97    171.976 1935.97    171.976 1935.97    171.976 467.645 21.160  467.645 21.160  0.000000       0.000000 
1 1 1 4   0  50 o 409.330  28.973  1507.62    204.691 1507.62    204.691 1507.62    204.691 409.330 28.973  409.330 28.973  0.000000       0.000000 
1 1 1 4   0  51 o 85.528   36.199  92.238     54.706  92.238     54.706  92.238     54.706  85.528  36.199  85.528  36.199  0.000000       0.000000 
1 1 1 4   0  52 o 498.150  33.407  2249.51    287.580 2249.51    287.580 2249.51    287.580 498.150 33.407  498.150 33.407  0.000000       0.000000 
1 1 1 4   0  53 f ?        ?       -265.0429  24.249  -265.0429  24.249  -265.0429  24.249  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 4   0  54 o 251.498  16.003  562.779    69.621  562.779    69.621  562.779    69.621  251.498 16.003  251.498 16.003  0.000000       0.000000 
1 1 1 4   0  55 f 154.925  16.196  217.982    42.716  217.982    42.716  217.982    42.716  154.925 16.196  154.925 16.196  0.000000       0.000000 
1 1 1 4   0  56 o 407.732  19.340  1480.40    136.980 1480.40    136.980 1480.40    136.980 407.732 19.340  407.732 19.340  0.000000       0.000000 
1 1 1 4   0  57 o 36.793   21.753  13.739     24.051  13.739     24.051  13.739     24.051  36.793  21.753  36.793  21.753  0.000000       0.000000 
1 1 1 4   0  58 o 57.085   32.232  40.676     49.198  40.676     49.198  40.676     49.198  57.085  32.232  57.085  32.232  0.000000       0.000000 
1 1 1 4   0  59 o 133.789  32.511  188.133    65.813  188.133    65.813  188.133    65.813  133.789 32.511  133.789 32.511  0.000000       0.000000 
1 1 1 4   0  60 o 44.546   28.037  11.507     45.904  11.507     45.904  11.507     45.904  44.546  28.037  44.546  28.037  0.000000       0.000000 
1 1 1 4   0  61 o 214.260  26.123  436.670    93.852  436.670    93.852  436.670    93.852  214.260 26.123  214.260 26.123  0.000000       0.000000 
1 1 1 4   0  62 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 4   0  63 o 236.999  24.164  531.529    97.612  531.529    97.612  531.529    97.612  236.999 24.164  236.999 24.164  0.000000       0.000000 
1 1 1 4   0  64 o 98.995   29.794  112.141    44.895  112.141    44.895  112.141    44.895  98.995  29.794  98.995  29.794  0.000000       0.000000 
1 1 1 4   0  65 o 36.451   22.511  11.165     28.173  11.165     28.173  11.165     28.173  36.451  22.511  36.451  22.511  0.000000       0.000000 
1 1 1 4   0  66 o 77.300   27.218  72.995     33.346  72.995     33.346  72.995     33.346  77.300  27.218  77.300  27.218  0.000000       0.000000 
1 1 1 4   0  67 o 38.346   22.538  17.654     25.551  17.654     25.551  17.654     25.551  38.346  22.538  38.346  22.538  0.000000       0.000000 
1 1 1 4   0  68 o 206.141  16.978  397.343    60.156  397.343    60.156  397.343    60.156  206.141 16.978  206.141 16.978  0.000000       0.000000 
1 1 1 4   0  69 o 49.377   25.250  35.579     27.526  35.579     27.526  35.579     27.526  49.377  25.250  49.377  25.250  0.000000       0.000000 
1 1 1 4   0  70 o 105.860  22.305  118.528    36.289  118.528    36.289  118.528    36.289  105.860 22.305  105.860 22.305  0.000000       0.000000 
1 1 1 4   0  71 o 85.208   26.253  87.558     34.170  87.558     34.170  87.558     34.170  85.208  26.253  85.208  26.253  0.000000       0.000000 
1 1 1 4   0  72 o 52.729   31.688  46.359     52.632  46.359     52.632  46.359     52.632  52.729  31.688  52.729  31.688  0.000000       0.000000 
1 1 1 4   0  73 o 58.184   33.373  63.307     53.873  63.307     53.873  63.307     53.873  58.184  33.373  58.184  33.373  0.000000       0.000000 
1 1 1 4   0  74 o 55.374   32.827  59.480     55.036  59.480     55.036  59.480     55.036  55.374  32.827  55.374  32.827  0.000000       0.000000 
1 1 1 4   0  75 o 53.089   25.732  44.890     27.866  44.890     27.866  44.890     27.866  53.089  25.732  53.089  25.732  0.000000       0.000000 
1 1 1 4   1  0  o 327.859  13.922  939.924    79.700  940.886    97.618  937.999    138.027 327.448 17.133  326.087 24.419  1.360931       29.83018 
1 1 1 4   1  1  o 526.015  18.774  2422.63    172.433 2504.69    211.197 2258.56    298.635 534.500 22.630  505.108 34.059  29.39191       40.89180 
1 1 1 4   1  2  o 342.264  12.484  1024.04    74.609  1076.59    105.522 971.508    105.505 350.731 17.231  332.630 18.235  18.10071       25.08825 
1 1 1 4   1  3  o 227.602  12.292  454.148    48.667  298.619    84.285  531.937    59.608  182.400 27.304  246.247 13.920  -63.84660      30.64789 
1 1 1 4   1  4  o 976.997  31.517  8403.89    537.657 8489.65    931.257 8361.01    658.490 972.187 55.087  972.405 38.783  -0.2185669     67.36944 
1 1 1 4   1  5  o 1265.19  40.009  14168.23   883.855 15296.21   1530.90 13604.26   1082.49 1296.53 67.860  1234.93 50.202  61.60791       84.41091 
1 1 1 4   1  6  o 300.502  13.576  789.647    71.232  757.454    123.369 805.747    87.243  292.792 24.352  302.982 16.554  -10.18985      29.44601 
1 1 1 4   1  7  o 1233.43  33.764  13418.39   727.170 13277.31   1028.37 13559.48   1028.38 1220.47 48.257  1233.64 47.742  -13.16992      67.88224 
1 1 1 4   1  8  o 178.300  9.7571  278.622    30.261  275.714    42.788  281.532    42.803  177.002 13.958  178.886 13.811  -1.883972      19.63561 
1 1 1 4   1  9  o 262.124  10.988  600.548    50.289  600.827    71.123  600.269    71.116  261.565 15.645  261.442 15.651  0.1224365      22.12913 
1 1 1 4   1  10 o 182.171  9.9779  290.883    31.618  274.550    44.706  307.228    44.722  176.545 14.635  186.909 13.801  -10.36356      20.11572 
1 1 1 4   1  11 o 613.746  18.197  3299.79    195.004 3020.68    275.763 3578.96    275.791 586.030 26.950  638.261 24.747  -52.23090      36.58809 
1 1 1 4   1  12 o 652.143  19.241  3727.71    219.096 3758.31    309.850 3697.10    309.846 653.533 27.153  648.147 27.378  5.386169       38.56009 
1 1 1 4   1  13 o 360.805  12.815  1138.63    80.732  1183.90    114.183 1093.37    114.163 367.593 17.790  352.715 18.603  14.87775       25.73983 
1 1 1 4   1  14 o 664.638  19.431  3873.97    225.493 3629.20    318.884 4118.77    318.907 641.651 28.462  683.954 26.704  -42.30261      39.02824 
1 1 1 4   1  15 o 202.811  14.588  361.922    51.315  369.917    72.606  353.942    72.536  204.264 20.640  199.685 21.125  4.579422       29.53425 
1 1 1 4   1  16 o 273.741  23.013  663.521    108.976 663.521    108.976 0.0000     0.0000  273.741 23.013  ?       ?       0.000000       23.01324 
1 1 1 4   1  17 o 223.153  15.029  438.163    58.218  447.397    82.317  428.922    82.348  224.643 21.238  219.832 21.739  4.811569       30.39118 
1 1 1 4   1  18 o 172.101  14.194  261.187    42.273  304.893    59.764  217.426    59.801  185.419 18.716  155.568 22.683  29.85139       29.40713 
1 1 1 4   1  19 o 61.409   9.6743  33.779     10.030  19.673     14.188  47.872     14.181  47.807  15.151  73.086  11.492  -25.27909      19.01600 
1 1 1 4   1  20 o 296.161  11.684  767.802    60.419  781.993    85.447  753.612    85.445  298.043 16.483  292.520 16.799  5.523132       23.53555 
1 1 1 4   1  21 o 439.489  14.445  1693.75    110.847 1831.16    156.774 1556.37    156.749 456.108 19.685  419.640 21.464  36.46762       29.12445 
1 1 1 4   1  22 o 472.096  15.115  1956.13    124.596 1822.03    176.191 2090.26    176.220 454.236 22.215  486.882 20.729  -32.64554      30.38359 
1 1 1 4   1  23 o 237.524  12.457  495.828    51.484  513.621    63.068  460.288    89.134  241.401 15.037  227.028 22.793  14.37256       27.30663 
1 1 1 4   1  24 o 455.234  17.177  1823.85    136.536 1796.53    167.217 1878.50    236.500 450.858 21.241  457.457 29.771  -6.598694      36.57158 
1 1 1 4   1  25 o 642.821  22.139  3659.17    248.487 3591.33    430.399 3693.09    304.331 626.143 39.571  643.543 27.084  -17.40015      47.95173 
1 1 1 4   1  26 o 445.805  14.519  1746.39    113.017 1718.70    159.695 1774.17    159.966 440.773 20.750  447.913 20.454  -7.139618      29.13593 
1 1 1 4   1  27 o 215.650  10.282  407.383    38.714  398.933    54.500  415.990    55.004  212.518 14.779  217.065 14.597  -4.547150      20.77282 
1 1 1 4   1  28 o 592.207  37.340  3211.55    384.133 3211.55    384.133 0.0000     0.0000  592.207 37.340  ?       ?       0.000000       37.34002 
1 1 1 4   1  29 f 495.057  22.349  2174.18    193.183 2103.16    273.145 2245.26    273.260 481.586 32.676  498.263 31.572  -16.67703      45.43727 
1 1 1 4   1  30 o 114.171  13.835  116.122    27.017  129.360    38.137  102.785    38.279  119.658 18.879  105.906 21.436  13.75226       28.56442 
1 1 1 4   1  31 o 211.739  12.092  394.381    44.519  385.539    54.578  411.962    76.958  208.908 15.063  214.888 20.770  -5.980072      25.65694 
1 1 1 4   1  32 o 156.783  9.9485  216.062    27.094  219.016    37.855  212.959    38.795  157.351 13.922  155.057 14.497  2.294403       20.09947 
1 1 1 4   1  33 o 170.959  9.8985  256.669    29.421  258.897    41.120  254.331    42.114  171.220 13.873  169.626 14.354  1.594147       19.96252 
1 1 1 4   1  34 o 266.460  10.550  621.535    49.086  539.400    69.031  705.542    69.813  247.279 16.075  283.598 14.098  -36.31841      21.38168 
1 1 1 4   1  35 o 215.439  9.9919  406.150    37.587  408.941    52.625  403.245    53.703  215.481 14.064  213.915 14.463  1.566284       20.17353 
1 1 1 4   1  36 f 761.797  21.586  5120.00    287.129 5019.06    405.995 5221.00    406.127 750.103 30.998  765.361 30.390  -15.25812      43.41029 
1 1 1 4   1  37 o 350.955  14.551  1080.41    89.168  980.967    153.885 1130.67    109.408 331.519 26.814  358.653 17.471  -27.13342      32.00322 
1 1 1 4   1  38 o 286.815  11.226  720.202    56.219  656.237    79.017  785.775    80.003  272.822 16.667  298.830 15.385  -26.00797      22.68249 
1 1 1 4   1  39 o 865.220  28.206  6652.72    426.117 6815.47    521.867 6327.16    738.108 872.090 34.272  825.732 51.450  46.35797       61.81919 
1 1 1 4   1  40 o 698.343  29.369  4342.02    358.112 4501.06    506.298 4182.79    506.594 703.226 41.416  676.690 43.100  26.53619       59.77364 
1 1 1 4   1  41 o 771.931  31.708  5326.06    427.382 5112.23    604.245 5540.14    604.574 745.003 46.686  777.297 44.734  -32.29346      64.65871 
1 1 1 4   1  42 o 678.263  23.246  4069.47    275.298 4182.92    476.504 4012.62    337.285 677.678 40.454  671.178 28.780  6.499756       49.64750 
1 1 1 4   1  43 o 625.266  21.756  3454.16    237.522 3478.38    411.003 3442.02    291.045 618.799 38.227  622.266 26.787  -3.467529      46.67765 
1 1 1 4   1  44 o 470.416  15.189  1943.70    124.761 1990.83    176.266 1896.39    176.613 474.709 21.266  463.165 21.839  11.54471       30.48196 
1 1 1 4   1  45 o 384.933  13.055  1299.69    87.748  1261.12    123.625 1338.84    124.569 378.247 18.718  389.810 18.302  -11.56351      26.17885 
1 1 1 4   1  46 o 691.049  19.721  4216.05    237.960 3940.14    336.277 4492.78    336.776 663.770 29.015  709.831 27.172  -46.06085      39.75135 
1 1 1 4   1  47 o 577.144  17.025  2933.73    171.571 2744.20    242.320 3124.27    242.958 555.391 24.988  593.264 23.454  -37.87323      34.27082 
1 1 1 4   1  48 o 155.449  11.440  212.989    30.832  188.032    42.554  240.568    44.733  145.094 17.127  164.604 15.757  -19.51012      23.27264 
1 1 1 4   1  49 o 214.163  11.436  403.359    42.610  398.414    58.796  408.830    61.838  212.105 15.993  214.754 16.620  -2.648972      23.06571 
1 1 1 4   1  50 o 39.496   18.114  -20.0725   28.341  -59.7013   37.583  32.169     43.152  38.294  18.508  69.367  26.146  -31.07341      32.03372 
1 1 1 4   1  51 o 268.916  17.359  641.488    81.074  682.547    114.807 600.645    114.505 275.451 24.113  257.715 25.792  17.73550       35.30864 
1 1 1 4   1  52 o 479.786  20.907  2047.78    175.143 1425.49    244.261 2706.27    251.267 391.773 36.114  548.638 26.229  -156.8650      44.63391 
1 1 1 4   1  53 o ?        ?       -102.0609  12.319  -102.2766  12.679  -98.4326   52.008  ?       ?       42.591  20.848  0.000000       20.84817 
1 1 1 4   1  54 o 102.035  16.811  94.562     28.907  72.866     32.971  166.659    60.103  88.560  21.531  133.517 26.714  -44.95667      34.31038 
1 1 1 4   1  55 o 114.697  15.503  118.486    30.252  113.199    34.849  134.653    60.940  111.341 18.580  118.941 29.489  -7.600380      34.85484 
1 1 1 4   1  56 o 135.255  14.055  163.470    32.709  153.592    37.899  192.313    64.759  130.345 17.062  142.977 26.928  -12.63126      31.87813 
1 1 1 4   1  57 o 28.477   13.424  -19.0250   17.329  -28.2470   18.878  30.366     43.689  27.579  13.276  67.958  26.141  -40.37969      29.31911 
1 1 1 4   1  58 o 161.166  13.459  231.832    37.529  186.212    59.457  262.042    48.384  140.450 25.169  170.533 16.453  -30.08321      30.07025 
1 1 1 4   1  59 o 46.825   17.951  13.872     20.558  13.917     28.700  13.824     29.463  52.280  20.861  52.724  21.103  -0.4439774     29.67370 
1 1 1 4   1  60 o 135.507  16.957  167.771    39.242  165.072    52.994  171.047    58.392  131.649 23.936  133.113 26.055  -1.464264      35.38094 
1 1 1 4   1  61 o 190.719  12.973  325.772    42.946  354.998    52.160  264.260    75.671  198.222 15.186  164.764 27.256  33.45821       31.20088 
1 1 1 4   1  62 o 70.806   18.337  47.570     22.850  49.983     27.117  41.663     42.435  72.422  20.512  70.801  26.074  1.621643       33.17524 
1 1 1 4   1  63 o 31.935   14.740  -14.0022   19.183  7.5056     23.242  -59.9557   33.973  44.779  18.437  34.642  16.934  10.13662       25.03378 
1 1 1 4   1  64 o 86.888   17.891  72.004     26.239  53.522     41.760  84.060     33.728  75.258  26.066  92.688  21.289  -17.42964      33.65438 
1 1 1 4   1  65 o 51.945   21.184  13.807     30.320  0.0000     0.0000  13.807     30.320  ?       ?       51.945  21.184  0.000000       21.18372 
1 1 1 4   1  66 o 117.998  16.130  130.877    32.363  150.866    56.479  121.105    39.489  119.353 27.645  110.703 21.201  8.649223       34.83844 
1 1 1 4   1  67 o 64.498   20.891  40.519     26.863  24.182     50.849  46.845     31.639  64.207  26.921  68.810  22.693  -4.603714      35.20931 
1 1 1 4   1  68 o 167.889  14.116  261.969    40.997  287.072    49.781  209.054    72.274  173.831 16.603  134.821 31.303  39.01021       35.43345 
1 1 1 4   1  69 f 122.449  15.712  143.113    32.818  178.009    39.187  61.151     60.056  135.876 16.881  76.707  30.313  59.16935       34.69611 
1 1 1 4   1  70 o 26.641   12.855  -25.1930   17.943  -29.6140   20.140  -8.1853    39.503  27.794  13.461  47.901  21.745  -20.10696      25.57411 
1 1 1 4   1  71 o 39.460   17.420  -1.3962    23.512  -2.2626    46.779  -1.1033    27.197  52.562  23.781  42.217  18.681  10.34576       30.24131 
1 1 1 4   1  72 o 49.078   19.814  17.279     26.221  68.123     48.781  -3.3812    31.095  75.653  27.939  43.657  19.603  31.99634       34.12989 
1 1 1 4   1  73 o 75.125   24.282  65.541     36.306  53.721     54.111  75.219     48.963  69.122  28.257  77.427  28.084  -8.305367      39.83910 
1 1 1 4   1  74 o 31.664   14.688  -11.6015   19.400  -24.8025   22.290  29.626     39.392  30.464  14.603  57.556  23.877  -27.09179      27.98864 
1 1 1 4   1  75 o 48.842   18.960  21.627     23.145  19.298     27.210  27.722     44.018  49.040  20.041  57.020  24.516  -7.979694      31.66550 
1 1 1 4   2  0  o 432.578  14.462  1636.69    109.230 1594.54    154.471 1678.85    154.478 426.553 20.740  437.727 20.212  -11.17426      28.95960 
1 1 1 4   2  1  f 1094.90  30.289  10552.03   579.049 10427.08   818.897 10676.99   818.900 1083.80 43.273  1096.93 42.755  -13.12659      60.83239 
1 1 1 4   2  2  o 603.768  18.086  3191.99    190.666 3427.35    269.652 2956.66    269.634 624.829 24.716  580.084 26.621  44.74500       36.32563 
1 1 1 4   2  3  o 788.411  26.165  5460.94    360.190 5336.34    623.880 5523.24    441.136 772.868 46.447  791.688 31.912  -18.82013      56.35304 
1 1 1 4   2  4  o 231.927  12.346  471.605    49.817  436.707    86.328  489.029    60.998  221.995 22.586  235.964 14.881  -13.96916      27.04746 
1 1 1 4   2  5  o 791.477  25.909  5504.03    358.053 5464.33    620.169 5523.88    438.522 782.164 45.608  791.647 31.725  -9.483032      55.55640 
1 1 1 4   2  6  f 420.316  15.715  1546.07    115.334 1792.29    199.802 1423.03    141.241 450.964 25.479  402.939 20.075  48.02466       32.43723 
1 1 1 4   2  7  f 217.710  9.9969  414.212    38.002  448.089    53.752  380.358    53.734  225.926 13.690  207.967 14.896  17.95946       20.23183 
1 1 1 4   2  8  o 478.893  15.300  2007.03    127.937 1965.59    180.929 2048.48    180.932 473.328 21.892  483.253 21.443  -9.924774      30.64379 
1 1 1 4   2  9  o 927.006  25.862  7555.73    418.605 7707.35    591.998 7404.10    591.995 933.056 36.337  914.253 37.084  18.80310       51.91936 
1 1 1 4   2  10 o 344.076  12.378  1035.33    74.363  1065.83    105.158 1004.81    105.173 348.829 17.265  338.190 17.874  10.63995       24.85093 
1 1 1 4   2  11 o 733.406  21.169  4720.23    271.086 4867.90    383.376 4572.57    383.371 742.976 29.552  719.852 30.501  23.12433       42.46920 
1 1 1 4   2  12 o 299.763  11.644  785.787    60.947  784.131    86.183  787.445    86.201  298.736 16.588  299.374 16.555  -0.6371765     23.43526 
1 1 1 4   2  13 o 315.280  13.574  869.870    74.724  732.036    129.359 938.892    91.541  287.160 26.084  327.397 16.013  -40.23709      30.60715 
1 1 1 4   2  14 f 156.695  11.316  215.852    30.752  216.850    53.192  215.351    37.690  155.917 20.000  156.229 13.964  -0.3120117     24.39192 
1 1 1 4   2  15 o 296.568  16.703  773.443    86.142  824.693    121.809 722.169    121.836 305.307 23.019  285.285 24.703  20.02182       33.76522 
1 1 1 4   2  16 o 284.246  16.397  710.762    81.033  732.310    114.576 689.198    114.619 287.498 23.017  278.712 23.780  8.785645       33.09519 
1 1 1 4   2  17 o 144.512  13.304  184.425    33.192  153.484    46.749  215.878    47.135  130.432 21.259  155.846 17.632  -25.41397      27.61955 
1 1 1 4   2  18 o 185.735  11.574  303.107    37.349  291.190    45.692  327.103    64.836  181.690 14.524  191.881 19.628  -10.19049      24.41755 
1 1 1 4   2  19 o 540.982  16.711  2569.78    157.847 2645.40    223.230 2494.16    223.230 547.388 23.356  531.330 24.062  16.05847       33.53289 
1 1 1 4   2  20 o 312.869  11.845  857.271    64.709  756.211    91.479  958.482    91.547  292.714 17.985  330.413 15.868  -37.69965      23.98485 
1 1 1 4   2  21 o 229.557  10.641  461.320    42.652  489.388    60.310  433.235    60.328  235.689 14.729  221.557 15.696  14.13155       21.52459 
1 1 1 4   2  22 o 166.285  9.8956  242.873    28.602  258.133    40.427  227.579    40.471  170.995 13.654  160.352 14.615  10.64368       20.00079 
1 1 1 4   2  23 o 508.682  18.558  2280.83    164.833 2259.30    201.868 2323.89    285.527 505.019 22.893  507.591 32.385  -2.572357      39.65918 
1 1 1 4   2  24 o 346.071  14.564  1052.21    88.005  1061.14    107.778 1034.35    152.444 346.538 17.873  339.899 25.881  6.639252       31.45225 
1 1 1 4   2  25 o 381.379  13.094  1276.65    87.195  1426.35    123.365 1127.20    123.260 402.261 17.564  356.588 19.876  45.67273       26.52420 
1 1 1 4   2  26 o 305.705  11.909  819.644    63.566  932.192    89.861  706.921    89.931  325.453 15.813  282.451 18.334  43.00211       24.21143 
1 1 1 4   2  27 o 541.565  19.100  2591.16    180.614 2394.06    312.665 2689.86    221.265 512.326 35.165  550.311 23.027  -37.98541      42.03342 
1 1 1 4   2  28 o 242.481  15.521  519.389    65.367  491.557    92.455  547.207    92.433  234.244 22.897  247.595 21.597  -13.35020      31.47565 
1 1 1 4   2  29 o 566.195  24.779  2852.26    244.968 2931.63    346.421 2772.87    346.453 567.718 35.119  551.401 36.185  16.31689       50.42552 
1 1 1 4   2  30 o 489.365  17.921  2110.80    153.130 2160.04    187.571 2012.38    265.154 493.931 21.749  471.763 32.385  22.16840       39.01063 
1 1 1 4   2  31 o 252.351  12.606  558.476    55.546  588.318    68.102  499.169    96.006  258.310 15.166  236.130 23.602  22.17937       28.05412 
1 1 1 4   2  32 o 417.322  15.573  1530.20    113.480 1431.31    138.654 1730.86    197.497 402.840 19.712  440.694 25.778  -37.85452      32.45155 
1 1 1 4   2  33 o 231.787  12.102  471.990    48.809  450.275    59.240  517.891    86.129  225.977 15.101  241.451 20.627  -15.47452      25.56397 
1 1 1 4   2  34 o 280.939  10.788  690.938    52.919  638.579    74.373  744.630    75.313  269.196 15.893  290.920 14.876  -21.72415      21.76913 
1 1 1 4   2  35 o 600.231  17.571  3167.58    184.149 3147.69    260.306 3187.52    260.547 596.202 25.005  600.008 24.869  -3.806030      35.26669 
1 1 1 4   2  36 o 996.533  26.782  8810.01    466.005 7968.42    658.814 9652.71    659.246 938.433 40.207  1036.12 36.440  -97.68335      54.26258 
1 1 1 4   2  37 o 368.587  12.031  1189.94    77.430  999.280    108.222 1389.88    110.829 336.533 18.488  397.865 15.953  -61.33118      24.41977 
1 1 1 4   2  38 o 423.796  15.385  1576.39    113.845 1415.00    138.898 1906.75    198.720 400.807 19.847  463.535 24.641  -62.72809      31.63997 
1 1 1 4   2  39 o 261.136  12.549  597.498    57.219  553.128    69.209  693.329    101.712 250.483 15.907  279.630 20.985  -29.14783      26.33212 
1 1 1 4   2  40 o 209.338  11.688  385.009    42.553  338.167    51.336  487.865    76.071  195.704 15.141  234.693 18.719  -38.98883      24.07583 
1 1 1 4   2  41 o 731.084  24.308  4733.67    310.295 4440.13    536.889 4880.90    380.230 695.332 44.454  739.915 29.431  -44.58264      53.31320 
1 1 1 4   2  42 o 885.862  28.124  6988.19    435.009 5995.65    752.803 7485.75    533.007 797.995 54.352  913.168 33.429  -115.1731      63.80896 
1 1 1 4   2  43 o 359.232  13.519  1132.04    84.798  737.477    144.390 1339.77    104.769 286.037 29.325  390.532 15.364  -104.4949      33.10587 
1 1 1 4   2  44 o 174.519  10.420  267.633    31.609  217.195    42.824  327.997    46.849  156.397 15.903  192.810 14.012  -36.41350      21.19518 
1 1 1 4   2  45 o 570.912  17.086  2869.41    170.325 2744.11    240.430 2995.64    241.325 555.769 24.776  581.076 23.785  -25.30688      34.34511 
1 1 1 4   2  46 o 588.028  17.090  3045.36    175.475 2746.74    247.616 3346.62    248.704 555.474 25.530  614.174 23.191  -58.69983      34.49104 
1 1 1 4   2  47 o 392.977  12.990  1355.49    89.131  1200.16    125.259 1514.81    126.856 368.028 19.563  414.521 17.527  -46.49265      26.26561 
1 1 1 4   2  48 o 464.738  14.667  1899.36    119.020 1772.91    167.525 2028.23    169.125 447.159 21.456  478.682 20.235  -31.52271      29.49263 
1 1 1 4   2  49 o 625.155  22.022  3472.06    240.388 3645.02    415.796 3385.23    294.615 628.867 38.046  614.344 27.465  14.52344       46.92357 
1 1 1 4   2  50 o 254.219  17.346  573.404    76.535  535.947    106.867 612.845    109.660 243.462 25.518  260.885 24.355  -17.42346      35.27542 
1 1 1 4   2  51 o 226.748  17.922  457.680    70.380  269.310    97.359  663.859    101.858 168.803 34.204  272.274 21.603  -103.4715      40.45447 
1 1 1 4   2  52 f 248.442  12.719  544.282    54.990  391.968    65.505  907.763    101.192 209.572 18.078  319.522 18.213  -109.9503      25.66203 
1 1 1 4   2  53 o 33.439   15.556  -19.7610   22.011  -44.5088   25.169  60.715     45.387  30.406  14.801  83.079  27.169  -52.67247      30.93865 
1 1 1 4   2  54 o 128.784  28.778  156.993    63.082  0.0000     0.0000  156.993    63.082  ?       ?       128.784 28.778  0.000000       28.77790 
1 1 1 4   2  55 o 473.001  32.851  2094.36    269.628 0.0000     0.0000  2094.36    269.628 ?       ?       473.001 32.851  0.000000       32.85056 
1 1 1 4   2  56 o 129.363  12.022  148.846    26.845  64.455     34.992  269.563    41.850  83.080  23.221  173.983 13.892  -90.90332      27.05909 
1 1 1 4   2  57 o 65.462   17.847  39.638     20.960  38.800     26.292  41.101     34.719  65.682  20.600  69.409  23.781  -3.726532      31.46284 
1 1 1 4   2  58 o 193.678  11.394  332.566    38.363  288.204    51.908  385.965    56.950  178.608 16.843  207.274 15.856  -28.66563      23.13244 
1 1 1 4   2  59 o 223.265  13.065  444.518    50.709  442.189    61.461  449.484    89.747  221.528 15.997  219.326 23.818  2.201736       28.69131 
1 1 1 4   2  60 o 134.365  13.531  162.622    31.313  171.930    37.959  142.802    55.393  137.331 16.138  120.652 26.972  16.67861       31.43088 
1 1 1 4   2  61 o 252.126  13.338  569.965    58.510  615.934    71.456  476.434    101.926 260.778 15.767  221.757 26.872  39.02029       31.15645 
1 1 1 4   2  62 f 173.549  11.370  269.310    34.264  255.189    47.428  284.726    49.556  166.761 16.505  176.338 16.279  -9.576233      23.18215 
1 1 1 4   2  63 o 121.516  14.658  135.462    30.473  123.216    48.446  143.478    39.198  110.754 25.570  123.285 18.805  -12.53116      31.73983 
1 1 1 4   2  64 o 144.751  13.521  191.013    33.779  114.251    54.462  239.005    43.063  104.121 28.923  161.022 15.508  -56.90134      32.81807 
1 1 1 4   2  65 o 93.684   17.135  83.704     26.997  105.095    42.033  68.683     35.223  101.616 24.062  82.409  23.391  19.20727       33.55754 
1 1 1 4   2  66 o 143.731  13.984  190.681    34.650  161.813    55.944  208.648    44.135  123.970 26.639  148.313 17.372  -24.34307      31.80253 
1 1 1 4   2  67 f 152.405  11.811  211.797    31.185  230.223    42.935  191.225    45.368  156.279 15.958  140.186 19.026  16.09195       24.83277 
1 1 1 4   2  68 o 86.793   15.523  72.345     22.661  56.463     30.912  90.795     33.318  73.833  22.187  94.419  20.774  -20.58670      30.39429 
1 1 1 4   2  69 o 78.808   19.554  63.441     26.778  62.668     45.452  63.853     33.141  75.802  27.114  77.425  22.907  -1.623169      35.49463 
1 1 1 4   2  70 o 68.069   21.162  48.500     27.816  24.760     43.916  64.404     35.945  59.616  25.009  76.562  24.099  -16.94540      34.73003 
1 1 1 4   2  71 o 146.908  15.311  208.213    38.699  317.002    64.471  146.941    48.384  173.772 21.723  114.633 24.887  59.13864       33.03382 
1 1 1 4   2  72 o 34.353   15.886  -12.4605   22.444  -32.9096   36.064  0.4664     28.674  39.211  18.736  43.262  19.161  -4.050949      26.79866 
1 1 1 4   2  73 o 77.207   18.707  63.018     24.954  72.490     29.571  39.590     46.508  81.363  20.750  62.923  26.011  18.44027       33.27364 
1 1 1 4   2  74 o 91.441   20.935  92.742     32.704  92.742     32.704  0.0000     0.0000  91.441  20.935  ?       ?       0.000000       20.93489 
1 1 1 4   3  0  o 310.222  13.143  841.727    71.191  1012.46    123.372 756.498    87.167  339.118 20.938  293.418 17.088  45.69977       27.02578 
1 1 1 4   3  1  o 563.219  17.423  2778.42    171.339 2756.94    242.306 2799.89    242.312 560.112 24.776  564.487 24.584  -4.374512      34.90313 
1 1 1 4   3  2  o 701.988  23.487  4327.92    287.883 4409.53    498.660 4287.12    352.572 703.263 40.784  697.597 28.945  5.666016       50.01200 
1 1 1 4   3  3  o 222.951  12.003  435.905    46.555  455.395    80.680  426.176    57.002  226.942 20.584  220.170 14.916  6.772018       25.42022 
1 1 1 4   3  4  o 885.139  28.580  6902.73    441.716 7496.19    765.120 6606.05    540.972 913.647 48.131  863.653 35.873  49.99402       60.02898 
1 1 1 4   3  5  o 586.944  20.142  3021.65    206.430 3386.91    357.600 2839.10    252.805 618.078 33.258  568.148 25.484  49.93073       41.89859 
1 1 1 4   3  6  o 293.196  11.488  751.668    58.810  780.958    83.181  722.393    83.158  298.207 16.034  286.702 16.684  11.50528       23.13940 
1 1 1 4   3  7  o 129.085  9.2798  146.378    20.776  169.927    29.434  122.993    29.331  138.846 12.267  117.645 14.592  21.20087       19.06308 
1 1 1 4   3  8  o 326.957  14.040  935.620    80.151  991.724    138.824 907.568    98.165  334.996 23.890  321.319 17.563  13.67725       29.65139 
1 1 1 4   3  9  f 469.957  17.495  1936.03    143.558 1968.60    248.640 1919.74    175.826 471.030 30.394  467.488 21.540  3.541962       37.25266 
1 1 1 4   3  10 o 93.471   10.821  77.420     17.334  101.720    30.085  65.344     21.208  106.461 16.737  85.167  14.799  21.29428       22.34098 
1 1 1 4   3  11 o 882.914  28.862  6888.80    444.945 6688.44    770.650 6988.99    544.950 857.239 51.729  886.708 35.198  -29.46906      62.56781 
1 1 1 4   3  12 f 178.421  11.258  279.578    34.892  257.123    60.382  290.834    42.753  169.796 20.801  181.754 13.569  -11.95769      24.83603 
1 1 1 4   3  13 o 541.612  19.195  2576.94    181.525 2882.05    314.440 2424.42    222.311 568.883 31.783  524.368 24.281  44.51514       39.99630 
1 1 1 4   3  14 o 53.000   13.461  25.553     12.481  22.673     17.307  28.674     18.015  51.707  16.770  56.825  16.907  -5.117783      23.81319 
1 1 1 4   3  15 o 355.315  14.662  1106.77    90.963  1041.28    111.384 1237.91    157.614 343.711 18.629  373.671 24.289  -29.95953      30.61031 
1 1 1 4   3  16 o 534.950  19.191  2517.38    179.256 2521.14    219.537 2509.85    310.498 534.335 23.531  528.976 33.794  5.359924       41.17880 
1 1 1 4   3  17 o 320.414  12.082  899.191    67.596  842.761    95.575  955.672    95.617  309.119 17.782  329.432 16.677  -20.31293      24.37908 
1 1 1 4   3  18 o 210.680  10.073  388.443    37.056  438.715    52.425  338.248    52.384  223.281 13.510  195.679 15.458  27.60133       20.52984 
1 1 1 4   3  19 o 123.017  9.4586  133.197    20.161  144.310    28.535  122.119    28.489  127.642 12.984  117.121 14.223  10.52126       19.25821 
1 1 1 4   3  20 o 526.055  16.352  2433.57    150.196 2308.85    212.392 2558.33    212.426 510.327 23.836  537.596 22.630  -27.26883      32.86739 
1 1 1 4   3  21 o 661.032  19.551  3856.93    225.660 3767.48    319.117 3946.40    319.146 649.537 28.137  665.124 27.480  -15.58698      39.33051 
1 1 1 4   3  22 o 158.381  9.8000  220.472    26.968  206.034    38.177  234.853    38.101  152.456 14.517  163.012 13.508  -10.55577      19.82932 
1 1 1 4   3  23 o 250.093  10.791  548.075    47.124  511.594    66.808  584.199    66.480  240.579 15.995  257.359 14.857  -16.78064      21.83070 
1 1 1 4   3  24 o 322.742  13.190  914.538    74.331  1093.44    129.069 825.760    90.922  350.731 21.175  305.625 17.107  45.10577       27.22172 
1 1 1 4   3  25 o 321.921  17.103  915.991    95.792  0.0000     0.0000  915.991    95.792  ?       ?       321.921 17.103  0.000000       17.10323 
1 1 1 4   3  26 o 353.573  17.001  1101.74    104.961 0.0000     0.0000  1101.74    104.961 ?       ?       353.573 17.001  0.000000       17.00137 
1 1 1 4   3  27 o 360.058  18.378  1146.77    115.158 1109.38    162.811 1184.21    162.906 351.582 26.721  363.629 25.826  -12.04642      37.16155 
1 1 1 4   3  28 o 479.985  17.389  2029.94    145.738 2150.35    178.570 1789.76    252.205 493.062 20.742  444.468 32.728  48.59354       38.74691 
1 1 1 4   3  29 f 251.425  13.979  556.708    61.127  713.827    87.602  407.610    85.337  284.107 17.748  213.193 23.304  70.91405       29.29290 
1 1 1 4   3  30 o 690.457  22.446  4219.38    270.609 4542.37    331.487 3574.08    468.542 714.451 26.572  622.744 43.360  91.70636       50.85492 
1 1 1 4   3  31 o 326.147  11.753  931.928    66.929  1000.80    94.794  863.471    94.510  337.468 16.087  312.820 17.371  24.64746       23.67629 
1 1 1 4   3  32 o 477.973  16.615  2007.73    138.668 1975.14    169.774 2073.04    240.345 473.255 20.545  481.747 28.703  -8.492615      35.29838 
1 1 1 4   3  33 o 327.267  13.289  938.904    75.937  904.957    92.872  1007.38    131.902 320.497 16.653  336.967 22.548  -16.47046      28.03142 
1 1 1 4   3  34 o 256.523  10.545  575.955    47.234  511.031    66.259  643.037    67.352  240.736 15.852  270.388 14.317  -29.65254      21.36004 
1 1 1 4   3  35 o 515.208  18.178  2334.78    163.528 2123.57    282.529 2441.18    200.533 485.973 33.500  525.950 21.836  -39.97714      39.98861 
1 1 1 4   3  36 o 427.970  15.597  1607.87    116.552 1624.65    142.786 1574.36    201.760 429.622 19.034  420.161 27.656  9.460815       33.57336 
1 1 1 4   3  37 o 548.488  18.849  2647.91    180.520 2704.70    221.092 2534.32    312.666 553.276 22.886  530.812 33.912  22.46411       40.91186 
1 1 1 4   3  38 f 180.839  11.377  287.500    35.739  262.272    43.348  341.049    63.155  172.292 14.545  195.978 18.682  -23.68622      23.67673 
1 1 1 4   3  39 o 640.877  19.136  3617.52    214.139 3847.75    302.798 3387.17    302.878 658.377 26.340  617.009 28.113  41.36816       38.52480 
1 1 1 4   3  40 o 572.827  20.358  2894.38    203.624 2972.16    352.523 2855.44    249.445 573.583 35.371  567.422 25.177  6.160522       43.41684 
1 1 1 4   3  41 o 207.831  12.538  379.990    45.285  248.791    76.542  450.644    56.170  165.120 27.517  226.155 14.298  -61.03477      31.00967 
1 1 1 4   3  42 o 344.847  18.333  1050.44    109.992 0.0000     0.0000  1050.44    109.992 ?       ?       344.847 18.333  0.000000       18.33305 
1 1 1 4   3  43 o 487.280  22.284  2101.75    189.598 0.0000     0.0000  2101.75    189.598 ?       ?       487.280 22.284  0.000000       22.28393 
1 1 1 4   3  44 o 304.855  11.781  814.667    62.710  715.031    87.880  918.037    89.512  284.328 17.791  323.086 15.867  -38.75790      23.83870 
1 1 1 4   3  45 o 302.260  13.045  801.795    68.850  703.298    83.652  1008.62    121.219 282.062 17.066  337.071 20.696  -55.00946      26.82475 
1 1 1 4   3  46 o 591.083  20.314  3091.17    209.651 2990.75    256.442 3293.55    364.058 579.266 25.354  601.575 34.808  -22.30884      43.06299 
1 1 1 4   3  47 o 544.615  24.361  2642.64    231.657 2666.02    326.540 2618.94    328.696 540.427 34.790  535.225 35.371  5.201294       49.61299 
1 1 1 4   3  48 o 366.519  19.411  1192.32    123.780 0.0000     0.0000  1192.32    123.780 ?       ?       366.519 19.411  0.000000       19.41064 
1 1 1 4   3  49 o 310.432  18.717  856.011    100.980 0.0000     0.0000  856.011    100.980 ?       ?       310.432 18.717  0.000000       18.71727 
1 1 1 4   3  50 o ?        ?       -327.9871  10.253  -343.2618  11.086  -237.6500  26.959  ?       ?       ?       ?       0.000000       ?        
1 1 1 4   3  51 o 267.625  15.169  633.999    70.590  570.136    116.403 671.145    88.777  249.970 27.104  274.435 18.637  -24.46507      32.89310 
1 1 1 4   3  52 o 58.650   19.136  29.572     22.520  18.438     27.678  51.381     38.736  54.456  20.840  76.702  25.100  -22.24594      32.62407 
1 1 1 4   3  53 o 379.599  15.097  1274.39    100.063 1143.00    121.828 1546.79    175.415 357.430 19.595  413.290 24.416  -55.86002      31.30715 
1 1 1 4   3  54 o 313.640  13.151  868.289    72.020  778.098    87.007  1064.57    128.355 295.386 16.940  343.549 21.506  -48.16315      27.37649 
1 1 1 4   3  55 f 210.329  12.564  391.967    45.930  357.703    54.432  476.673    85.584  200.055 15.709  228.891 21.672  -28.83638      26.76683 
1 1 1 4   3  56 o 143.444  11.944  182.954    29.643  123.592    39.396  260.423    45.005  115.513 20.272  170.437 15.285  -54.92341      25.38899 
1 1 1 4   3  57 o 363.004  14.707  1173.77    93.216  1185.93    113.446 1148.50    163.552 363.150 17.891  350.127 26.960  13.02271       32.35653 
1 1 1 4   3  58 o 173.870  12.878  269.973    38.818  272.924    45.976  262.647    72.441  174.038 15.284  166.116 25.813  7.922302       29.99900 
1 1 1 4   3  59 o 119.037  14.786  128.755    30.071  112.149    35.017  175.395    58.685  109.597 18.987  134.553 25.919  -24.95660      32.12900 
1 1 1 4   3  60 o 189.708  12.961  322.808    42.676  328.977    49.956  306.147    82.095  190.609 15.135  176.908 27.468  13.70094       31.36151 
1 1 1 4   3  61 o 133.514  12.260  160.486    28.261  129.814    36.013  209.657    45.598  117.844 18.079  150.485 17.691  -32.64060      25.29493 
1 1 1 4   3  62 o 123.846  12.952  139.184    27.593  120.560    36.109  165.321    42.777  112.738 19.020  132.380 19.056  -19.64281      26.92378 
1 1 1 4   3  63 o 137.033  12.367  170.119    29.273  178.113    38.201  158.749    45.560  138.556 16.090  128.084 21.107  10.47226       26.54023 
1 1 1 4   3  64 o 112.014  15.859  117.499    30.151  57.407     42.215  180.072    43.078  76.317  26.220  137.618 18.387  -61.30107      32.02461 
1 1 1 4   3  65 o 62.345   19.654  37.465     23.899  -20.1258   31.016  121.633    37.496  40.189  18.617  111.378 20.017  -71.18875      27.33587 
1 1 1 4   3  66 o 143.410  13.957  190.725    34.505  117.196    51.768  249.507    46.286  103.137 28.019  162.335 16.562  -59.19814      32.54734 
1 1 1 4   3  67 o 38.884   16.312  4.7316     18.683  6.1083     22.112  1.2961     34.931  42.225  17.731  48.700  21.375  -6.475471      27.77215 
1 1 1 4   3  68 f 55.277   19.895  28.065     24.508  78.425     39.856  -2.5577    31.079  84.427  25.153  44.724  19.871  39.70324       32.05519 
1 1 1 4   3  69 o 51.571   19.676  22.279     24.626  30.394     39.200  16.988     31.652  60.309  24.270  52.022  21.478  8.287159       32.40840 
1 1 1 4   3  70 o 54.794   19.818  28.516     24.358  -12.3025   39.532  53.498     30.926  46.274  21.286  70.339  22.377  -24.06582      30.88366 
1 1 1 4   3  71 o 86.216   16.048  73.963     23.270  60.839     31.078  90.709     35.107  74.165  22.237  90.801  22.304  -16.63608      31.49594 
1 1 1 4   3  72 o 66.732   18.271  46.868     21.913  39.625     28.348  57.625     34.544  60.963  21.454  70.726  23.724  -9.763195      31.98597 
1 1 1 4   3  73 o 67.233   21.543  51.124     28.625  43.394     57.717  53.646     32.965  64.549  27.913  67.885  23.173  -3.336525      36.27838 
1 1 1 4   3  74 o 34.517   15.219  -0.1182    17.891  3.4265     22.897  -5.6751    28.669  39.707  17.370  40.150  18.341  -0.4425049     25.26076 
1 1 1 4   4  0  o 241.348  14.868  512.101    62.351  0.0000     0.0000  512.101    62.351  ?       ?       241.348 14.868  0.000000       14.86810 
1 1 1 4   4  1  o 793.619  31.400  5579.40    435.109 0.0000     0.0000  5579.40    435.109 ?       ?       793.619 31.400  0.000000       31.39953 
1 1 1 4   4  2  o 833.809  34.013  6176.10    495.189 0.0000     0.0000  6176.10    495.189 ?       ?       833.809 34.013  0.000000       34.01278 
1 1 1 4   4  3  o 530.867  23.167  2480.81    214.743 0.0000     0.0000  2480.81    214.743 ?       ?       530.867 23.167  0.000000       23.16701 
1 1 1 4   4  4  o 316.039  13.712  874.594    75.669  871.327    131.015 876.229    92.691  313.574 24.113  315.648 16.879  -2.073975      29.43407 
1 1 1 4   4  5  o 220.044  12.101  425.009    46.315  466.238    80.190  404.372    56.734  229.453 20.222  214.271 15.264  15.18250       25.33622 
1 1 1 4   4  6  o 381.271  15.279  1274.14    101.715 1214.82    176.132 1303.82    124.591 369.683 27.483  385.331 18.518  -15.64719      33.13941 
1 1 1 4   4  7  o 118.451  11.086  123.826    22.661  166.786    39.193  102.250    27.775  136.876 16.748  106.931 15.313  29.94517       22.69361 
1 1 1 4   4  8  o 692.630  23.406  4230.16    283.065 3970.83    490.246 4359.85    346.696 662.283 42.621  701.564 28.302  -39.28131      51.16185 
1 1 1 4   4  9  o 463.116  14.833  1880.34    119.945 2010.12    169.644 1750.61    169.611 477.953 20.328  445.774 21.791  32.17886       29.80046 
1 1 1 4   4  10 o 189.219  10.128  314.112    33.341  310.509    47.169  317.710    47.135  187.642 14.509  189.843 14.325  -2.200836      20.38942 
1 1 1 4   4  11 o 250.654  10.889  549.866    47.657  554.852    67.383  544.876    67.411  251.007 15.450  248.710 15.602  2.297119       21.95699 
1 1 1 4   4  12 o 272.019  13.000  648.398    61.744  663.276    75.609  618.612    106.978 274.427 15.847  263.591 23.490  10.83496       28.33498 
1 1 1 4   4  13 f 207.198  11.498  377.101    41.433  327.515    50.717  476.599    71.842  192.581 15.206  232.119 17.863  -39.53781      23.45893 
1 1 1 4   4  14 o 124.648  10.306  136.921    22.229  103.624    27.114  205.175    38.820  107.664 14.816  152.186 14.796  -44.52200      20.93875 
1 1 1 4   4  15 o 393.727  13.396  1359.70    92.097  1240.88    130.202 1478.67    130.288 374.553 19.981  409.786 18.209  -35.23276      27.03323 
1 1 1 4   4  16 o 566.958  17.346  2829.42    171.715 2922.00    242.844 2736.84    242.840 573.932 24.233  555.148 25.052  18.78387       34.85477 
1 1 1 4   4  17 o 576.963  20.326  2940.71    204.767 2919.52    250.781 2983.10    354.687 573.136 25.060  573.210 35.614  -0.7440186E-01 43.54705 
1 1 1 4   4  18 o 460.944  14.863  1867.28    119.627 1904.40    169.173 1830.15    169.184 464.013 20.880  454.756 21.307  9.257111       29.83234 
1 1 1 4   4  19 o 122.636  9.1695  132.379    19.493  102.632    27.417  162.785    27.719  107.011 15.093  135.745 11.813  -28.73396      19.16570 
1 1 1 4   4  20 o 536.376  16.568  2534.08    155.169 2512.78    219.438 2555.39    219.446 531.694 23.637  536.263 23.436  -4.569580      33.28582 
1 1 1 4   4  21 o 44.993   12.120  18.357     9.7353  27.373     12.374  3.7141     15.771  54.751  13.116  36.950  15.197  17.80108       20.07465 
1 1 1 4   4  22 o 457.233  14.893  1838.68    118.898 1905.17    168.140 1772.17    168.155 463.826 20.761  447.101 21.540  16.72482       29.91643 
1 1 1 4   4  23 o 229.062  12.121  461.574    48.307  428.837    83.357  478.128    59.276  218.805 22.122  232.744 14.661  -13.93893      26.53943 
1 1 1 4   4  24 o 326.869  14.054  938.687    80.209  919.655    138.763 948.237    98.294  320.455 24.997  327.567 17.246  -7.111633      30.36940 
1 1 1 4   4  25 o 315.561  17.234  879.920    94.600  873.611    133.742 886.237    133.829 312.460 24.715  314.777 24.543  -2.316681      34.83128 
1 1 1 4   4  26 o 103.304  11.363  94.645     20.157  109.477    24.890  66.377     34.362  110.937 13.102  85.064  22.709  25.87283       26.21813 
1 1 1 4   4  27 o 220.708  12.021  428.284    46.150  445.595    56.614  393.997    79.677  224.785 14.502  209.870 22.074  14.91441       26.41109 
1 1 1 4   4  28 o 416.044  15.955  1521.42    115.901 1586.39    142.001 1391.76    200.601 424.200 19.172  393.739 29.390  30.46094       35.09040 
1 1 1 4   4  29 o 630.164  21.518  3506.93    236.771 3717.72    290.017 3085.64    410.003 647.269 25.661  581.404 40.643  65.86475       48.06617 
1 1 1 4   4  30 o 531.675  16.177  2483.40    150.181 2492.38    212.313 2474.40    212.463 530.974 22.900  529.026 23.001  1.947632       32.45707 
1 1 1 4   4  31 o 529.982  15.864  2466.69    146.803 2449.94    207.514 2483.47    207.709 526.597 22.569  530.226 22.435  -3.628540      31.82270 
1 1 1 4   4  32 o 778.323  21.317  5344.15    289.694 4758.35    409.473 5931.17    409.905 729.628 32.141  816.498 28.752  -86.86957      43.12445 
1 1 1 4   4  33 o 470.569  14.082  1942.02    115.704 1743.53    163.209 2142.57    164.055 444.637 21.022  493.344 19.045  -48.70715      28.36607 
1 1 1 4   4  34 o 40.882   14.030  13.345     12.085  22.499     14.198  -10.7213   23.022  50.354  15.015  37.669  16.894  12.68522       22.60227 
1 1 1 4   4  35 o 510.717  18.106  2294.60    161.463 2296.12    197.756 2291.57    279.649 509.909 22.211  505.445 31.850  4.463654       38.82957 
1 1 1 4   4  36 o 149.797  11.344  197.619    29.451  209.928    35.771  171.717    51.890  154.159 13.423  137.729 22.343  16.42955       26.06489 
1 1 1 4   4  37 o 348.148  14.276  1063.47    86.780  1036.15    106.112 1118.64    150.799 342.726 17.793  354.546 24.510  -11.81949      30.28717 
1 1 1 4   4  38 o 185.787  10.816  303.254    34.937  292.481    49.011  314.382    49.814  181.820 15.589  188.603 15.257  -6.782211      21.81267 
1 1 1 4   4  39 o 302.412  11.884  801.363    62.751  830.513    88.544  771.949    88.944  306.892 16.585  295.709 17.302  11.18246       23.96707 
1 1 1 4   4  40 o 165.237  16.033  242.232    45.676  261.756    62.916  220.474    66.417  170.780 21.581  155.678 25.302  15.10184       33.25557 
1 1 1 4   4  41 o 152.258  16.377  206.216    42.854  227.176    58.556  182.042    62.886  158.858 21.676  140.822 26.549  18.03563       34.27407 
1 1 1 4   4  42 f 232.583  15.836  477.900    63.928  437.728    88.428  521.882    92.528  221.004 23.265  241.785 22.164  -20.78166      32.13215 
1 1 1 4   4  43 o 183.884  12.769  298.093    40.745  297.723    69.776  298.284    50.192  181.954 22.438  183.470 15.822  -1.516861      27.45557 
1 1 1 4   4  44 o 102.076  15.094  93.575     26.090  113.190    44.049  82.974     32.382  110.856 23.487  95.117  20.126  15.73908       30.93026 
1 1 1 4   4  45 o 69.428   21.370  42.752     28.444  0.0000     0.0000  42.752     28.444  ?       ?       69.428  21.370  0.000000       21.36989 
1 1 1 4   4  46 o 292.153  14.053  750.547    71.688  770.295    122.561 740.277    88.384  292.992 24.173  289.044 17.596  3.948242       29.89902 
1 1 1 4   4  47 o 144.776  15.347  186.685    38.204  186.477    64.693  186.796    47.340  141.934 27.092  144.001 19.315  -2.067169      33.27227 
1 1 1 4   4  48 o 155.597  12.854  214.256    34.610  227.006    46.524  198.456    51.791  159.419 16.975  148.117 20.582  11.30130       26.67865 
1 1 1 4   4  49 o 455.328  15.066  1828.74    119.782 2057.69    168.526 1595.00    170.281 481.089 20.062  421.686 23.216  59.40286       30.68361 
1 1 1 4   4  50 o ?        ?       -165.9982  13.590  -230.1534  20.251  -113.4346  18.330  ?       ?       ?       ?       0.000000       ?        
1 1 1 4   4  51 o 145.328  12.767  187.428    32.069  161.100    45.161  214.207    45.546  132.994 20.072  154.489 17.175  -21.49532      26.41773 
1 1 1 4   4  52 o 182.999  13.847  297.397    43.916  283.228    52.272  331.400    80.974  177.781 17.048  189.803 25.045  -12.02234      30.29664 
1 1 1 4   4  53 o 184.282  13.631  301.809    43.549  255.233    51.994  411.277    79.711  168.249 17.977  212.637 21.776  -44.38849      28.23796 
1 1 1 4   4  54 o 104.642  17.498  100.299    30.841  75.227     36.445  163.546    57.886  89.342  23.168  131.417 26.147  -42.07458      34.93421 
1 1 1 4   4  55 o 161.689  17.222  236.589    47.874  236.589    47.874  0.0000     0.0000  161.689 17.222  ?       ?       0.000000       17.22249 
1 1 1 4   4  56 o 53.244   19.664  20.833     24.166  22.392     27.474  15.503     50.801  55.913  20.904  65.313  27.107  -9.399384      34.23114 
1 1 1 4   4  57 o 175.721  14.039  277.189    42.716  271.869    50.628  290.333    79.581  172.929 16.986  173.753 27.116  -0.8244629     31.99747 
1 1 1 4   4  58 o 201.515  13.847  364.771    48.427  355.460    57.899  386.453    88.353  197.546 16.950  200.830 25.792  -3.284195      30.86304 
1 1 1 4   4  59 o 217.110  13.992  424.685    52.760  367.638    88.189  456.485    65.843  194.253 26.707  223.504 16.999  -29.25116      31.65829 
1 1 1 4   4  60 o 64.488   21.016  38.315     27.167  25.750     43.647  46.261     34.711  64.185  25.687  70.714  23.781  -6.528542      35.00493 
1 1 1 4   4  61 o 75.666   18.217  54.958     23.780  52.029     31.627  58.768     36.069  73.299  22.529  77.477  24.100  -4.177948      32.99052 
1 1 1 4   4  62 o 133.677  13.256  163.034    30.532  160.979    41.420  165.479    45.182  130.120 18.774  131.024 20.414  -0.9048309     27.73457 
1 1 1 4   4  63 o 78.848   17.528  60.075     23.506  57.194     32.250  63.341     34.333  75.602  22.649  79.179  23.284  -3.576546      32.48254 
1 1 1 4   4  64 o 112.362  16.598  119.972    31.583  97.887     51.761  133.072    39.864  94.499  28.781  116.191 20.393  -21.69170      35.27339 
1 1 1 4   4  65 o 43.951   18.345  7.3987     23.457  13.254     35.154  2.6995     31.493  53.336  22.375  47.339  20.544  5.996796       30.37589 
1 1 1 4   4  66 o 31.715   15.481  -45.6815   28.090  0.0000     0.0000  -45.6815   28.090  ?       ?       31.715  15.481  0.000000       15.48071 
1 1 1 4   4  67 o 81.019   28.805  75.368     51.224  0.0000     0.0000  75.368     51.224  ?       ?       81.019  28.805  0.000000       28.80466 
1 1 1 4   4  68 o 32.724   15.250  -15.3314   21.297  -62.1045   34.725  12.872     26.965  33.681  16.596  47.811  19.788  -14.13004      25.82607 
1 1 1 4   4  69 o 58.364   17.763  34.496     19.722  21.453     24.768  57.096     32.603  50.722  19.634  72.062  22.981  -21.33949      30.22604 
1 1 1 4   4  70 o 33.400   14.769  -1.9833    16.969  14.811     22.142  -25.8820   26.414  45.599  18.279  33.888  16.148  11.71107       24.39049 
1 1 1 4   4  71 o 91.422   15.477  83.191     23.824  89.622     31.587  74.706     36.283  91.024  20.381  79.659  24.060  11.36496       31.53200 
1 1 1 4   4  72 o 60.388   18.066  38.812     20.529  49.906     27.421  24.663     30.968  66.563  21.059  52.920  21.474  13.64257       30.07730 
1 1 1 4   4  73 o 45.376   17.658  17.929     20.114  21.912     28.416  13.930     28.476  50.298  20.510  46.862  19.922  3.435299       28.59209 
1 1 1 4   5  0  o 424.384  16.328  1581.87    120.992 1644.47    209.644 1550.60    148.157 429.300 28.123  419.495 20.227  9.805115       34.64171 
1 1 1 4   5  1  o 293.952  13.638  757.591    69.997  770.411    121.323 751.194    85.699  294.225 23.820  291.900 16.886  2.325165       29.19842 
1 1 1 4   5  2  o 271.592  13.130  646.559    62.264  689.249    76.248  561.114    107.872 279.747 15.673  250.513 24.995  29.23370       29.50251 
1 1 1 4   5  3  o 297.693  13.575  777.073    70.560  760.316    86.397  810.634    122.270 293.635 16.923  301.899 23.377  -8.263824      28.85968 
1 1 1 4   5  4  f 315.612  14.043  873.770    77.388  906.913    94.762  807.407    134.092 320.753 16.980  300.659 25.792  20.09406       30.88017 
1 1 1 4   5  5  o 431.411  16.580  1635.89    124.892 1634.24    152.949 1639.17    216.353 430.461 20.349  427.919 29.129  2.542572       35.53323 
1 1 1 4   5  6  o 154.677  9.7046  210.192    26.077  201.806    36.871  218.586    36.886  151.002 14.149  157.290 13.563  -6.288300      19.60012 
1 1 1 4   5  7  f 249.176  10.758  543.688    46.808  479.303    66.177  608.149    66.216  232.935 16.375  262.820 14.485  -29.88513      21.86209 
1 1 1 4   5  8  o 1105.68  31.119  10950.12   600.783 10856.21   849.629 11044.03   849.641 1086.29 44.794  1096.15 44.392  -9.856445      63.06463 
1 1 1 4   5  9  o 122.095  10.865  131.592    22.920  123.571    28.102  147.532    39.612  117.849 13.926  128.166 18.213  -10.31688      22.92706 
1 1 1 4   5  10 o 291.188  13.386  744.023    68.059  785.586    83.373  661.005    117.831 298.457 16.058  271.638 25.128  26.81921       29.82030 
1 1 1 4   5  11 o 363.514  14.997  1161.28    95.187  1177.43    116.586 1128.98    164.852 365.453 18.271  354.936 26.797  10.51782       32.43332 
1 1 1 4   5  12 o 124.665  11.146  137.267    24.006  126.009    29.439  159.607    41.470  118.900 14.479  133.330 18.296  -14.43032      23.33195 
1 1 1 4   5  13 o 303.921  11.762  809.895    62.415  842.558    88.285  777.258    88.252  308.931 16.426  296.541 17.117  12.39090       23.72334 
1 1 1 4   5  14 o 259.879  11.029  591.928    50.044  588.848    70.787  595.005    70.761  258.206 15.776  259.575 15.686  -1.368622      22.24739 
1 1 1 4   5  15 o 467.056  14.934  1918.41    121.787 1938.02    172.229 1898.80    172.237 467.749 21.088  462.922 21.309  4.826904       29.97917 
1 1 1 4   5  16 o 447.084  14.694  1757.63    114.704 1794.71    162.221 1720.55    162.212 450.214 20.636  440.680 21.081  9.533508       29.50020 
1 1 1 4   5  17 o 141.423  9.0110  175.794    22.135  148.954    31.099  203.354    31.514  129.457 13.980  151.787 11.988  -22.33011      18.41620 
1 1 1 4   5  18 o 352.100  12.349  1087.88    75.920  1028.62    107.290 1147.30    107.444 340.921 18.088  360.756 17.057  -19.83438      24.86230 
1 1 1 4   5  19 o 307.323  11.699  828.298    62.776  871.046    88.856  785.700    88.700  314.086 16.258  298.074 17.114  16.01138       23.60567 
1 1 1 4   5  20 o 517.272  16.132  2355.58    145.701 2492.14    206.084 2219.10    206.020 530.063 22.267  499.695 23.612  30.36847       32.45537 
1 1 1 4   5  21 o 461.492  21.289  1885.83    171.543 1964.89    242.637 1806.82    242.560 467.011 29.913  447.117 31.266  19.89328       43.27079 
1 1 1 4   5  22 o 485.434  21.967  2087.50    186.195 2316.38    263.348 1858.72    263.292 507.450 29.853  452.605 33.555  54.84473       44.91279 
1 1 1 4   5  23 o 314.502  16.812  873.116    91.986  1070.94    130.167 675.776    130.008 347.233 21.576  273.894 27.559  73.33884       35.00027 
1 1 1 4   5  24 o 392.096  15.153  1350.78    103.745 1514.02    127.140 1025.52    179.467 414.662 17.560  337.007 30.841  77.65448       35.48952 
1 1 1 4   5  25 o 284.931  12.412  711.644    61.752  845.195    75.768  447.433    106.571 310.351 13.982  222.457 28.061  87.89388       31.35146 
1 1 1 4   5  26 o 349.669  14.168  1072.81    86.502  1176.55    106.056 866.651    149.505 365.845 16.603  310.901 27.835  54.94470       32.41055 
1 1 1 4   5  27 o 625.820  20.917  3455.57    228.571 3611.81    395.954 3377.48    279.920 632.394 36.008  616.950 25.985  15.44458       44.40459 
1 1 1 4   5  28 o 373.920  12.577  1225.25    82.114  1347.07    116.145 1103.51    116.108 391.461 16.992  353.536 18.877  37.92502       25.39852 
1 1 1 4   5  29 o 429.643  13.861  1618.82    103.980 1667.76    147.024 1569.86    147.077 435.163 19.350  422.081 19.957  13.08234       27.79698 
1 1 1 4   5  30 o 368.365  12.789  1189.18    82.256  1097.74    116.052 1281.49    116.605 352.628 18.917  381.762 17.493  -29.13345      25.76565 
1 1 1 4   5  31 o 281.327  11.214  693.001    55.087  630.299    77.445  757.213    78.372  267.314 16.676  293.300 15.357  -25.98624      22.66953 
1 1 1 4   5  32 o 243.899  12.654  522.700    53.704  528.110    65.583  511.690    93.564  244.782 15.423  239.617 22.631  5.165192       27.38670 
1 1 1 4   5  33 o 41.061   14.067  13.499     12.148  17.153     13.534  -1.6517    27.557  45.201  14.838  45.306  19.436  -0.1047554     24.45308 
1 1 1 4   5  34 o 258.852  15.824  590.753    71.176  590.753    71.176  0.0000     0.0000  258.852 15.824  ?       ?       0.000000       15.82387 
1 1 1 4   5  35 o 283.421  12.767  704.200    63.183  677.486    76.894  759.727    110.859 277.222 15.953  292.431 21.870  -15.20886      27.06963 
1 1 1 4   5  36 o 548.811  19.584  2656.01    187.664 2619.82    229.660 2728.75    325.554 543.634 24.194  549.786 34.081  -6.152344      41.79581 
1 1 1 4   5  37 o 107.826  12.995  103.422    23.973  89.318     28.534  137.261    44.199  99.387  17.057  122.921 21.369  -23.53403      27.34162 
1 1 1 4   5  38 o 93.239   14.152  78.028     22.316  71.743     35.699  82.059     28.591  88.370  22.936  95.006  17.891  -6.636215      29.08899 
1 1 1 4   5  39 o 50.051   16.291  21.259     16.326  6.2866     25.346  31.876     21.344  46.919  19.278  60.151  18.511  -13.23207      26.72644 
1 1 1 4   5  40 o 309.489  13.966  841.189    75.472  785.965    130.006 869.259    92.689  296.131 25.389  313.721 16.984  -17.59052      30.54567 
1 1 1 4   5  41 o 228.107  12.717  458.004    50.449  464.276    87.007  454.827    61.921  227.808 22.154  226.823 15.732  0.9845734      27.17138 
1 1 1 4   5  42 o 279.102  13.329  684.125    64.957  660.126    112.165 696.236    79.678  271.399 23.914  280.684 16.328  -9.285461      28.95646 
1 1 1 4   5  43 o 105.768  15.339  100.476    27.502  106.659    47.296  97.317     33.805  107.203 25.617  103.256 19.464  3.947632       32.17227 
1 1 1 4   5  44 o 112.243  15.607  113.065    29.760  108.464    52.475  115.247    36.133  107.893 27.709  112.638 19.051  -4.745239      33.62689 
1 1 1 4   5  45 o 245.569  13.652  532.024    58.308  573.136    100.917 511.422    71.439  252.526 23.145  240.025 17.159  12.50027       28.81179 
1 1 1 4   5  46 o 35.310   15.629  -6.2109    19.046  -11.2180   26.009  -0.4215    27.967  40.198  17.997  45.973  19.648  -5.775188      26.64451 
1 1 1 4   5  47 o 496.367  15.967  2176.52    138.389 2110.22    195.107 2243.64    196.321 485.694 23.006  501.108 22.437  -15.41370      32.13610 
1 1 1 4   5  48 o 29.552   14.014  -23.4832   19.415  -24.0978   26.671  -22.7904   28.315  36.716  17.095  38.590  17.845  -1.873749      24.71215 
1 1 1 4   5  49 o 84.046   15.863  64.512     22.425  75.980     30.667  51.332     32.876  90.597  19.928  75.309  22.937  15.28802       30.38501 
1 1 1 4   5  50 o 172.070  11.569  261.757    34.556  260.522    48.651  263.014    49.091  170.559 16.544  171.362 16.616  -0.8028717     23.44777 
1 1 1 4   5  51 o 93.977   14.258  79.865     22.662  66.418     30.433  96.603     33.953  84.356  20.794  102.222 19.737  -17.86560      28.66966 
1 1 1 4   5  52 o 176.459  13.278  277.026    40.609  270.396    48.912  291.737    72.858  173.492 16.339  177.460 24.140  -3.967819      29.14941 
1 1 1 4   5  53 o 73.113   21.867  49.353     30.081  49.353     30.081  0.0000     0.0000  73.113  21.867  ?       ?       0.000000       21.86748 
1 1 1 4   5  54 o 111.130  18.949  114.396    35.450  114.396    35.450  0.0000     0.0000  111.130 18.949  ?       ?       0.000000       18.94891 
1 1 1 4   5  55 o 93.180   20.460  82.120     32.376  82.120     32.376  0.0000     0.0000  93.180  20.460  ?       ?       0.000000       20.45955 
1 1 1 4   5  56 o 108.361  15.574  107.567    28.620  110.528    35.031  101.624    49.630  108.641 19.167  101.407 27.386  7.234489       33.42744 
1 1 1 4   5  57 o 121.901  12.643  133.974    26.520  146.856    37.962  121.694    37.063  125.855 17.769  113.756 19.353  12.09975       26.27326 
1 1 1 4   5  58 o 215.521  11.786  415.607    44.186  457.517    62.136  372.732    62.848  223.918 15.998  200.769 18.123  23.14879       24.17396 
1 1 1 4   5  59 o 120.937  13.085  132.965    27.191  166.314    37.937  97.738     38.991  133.914 16.579  99.529  22.911  34.38452       28.28034 
1 1 1 4   5  60 o 38.217   15.843  4.6405     17.326  18.316     25.565  -6.9759    23.562  51.565  19.951  38.543  17.202  13.02203       26.34322 
1 1 1 4   5  61 o 48.552   18.934  15.698     23.163  34.983     29.058  -17.9179   38.364  62.053  21.729  46.197  21.146  15.85594       30.31994 
1 1 1 4   5  62 o 75.608   17.278  55.486     22.312  59.844     32.782  51.726     30.454  76.813  22.795  71.934  22.107  4.879059       31.75440 
1 1 1 4   5  63 o 53.734   17.938  26.792     19.747  46.613     28.495  8.4772     27.391  68.272  21.451  47.111  19.756  21.16083       29.16263 
1 1 1 4   5  64 o 66.921   21.838  45.140     29.330  0.0000     0.0000  45.140     29.330  ?       ?       66.921  21.838  0.000000       21.83818 
1 1 1 4   5  65 o 75.067   26.882  60.929     44.692  0.0000     0.0000  60.929     44.692  ?       ?       75.067  26.882  0.000000       26.88242 
1 1 1 4   5  66 o 106.329  28.687  133.913    54.489  0.0000     0.0000  133.913    54.489  ?       ?       106.329 28.687  0.000000       28.68725 
1 1 1 4   5  67 o 70.458   18.399  51.085     22.881  52.760     33.176  49.565     31.599  69.680  23.250  67.945  22.691  1.735260       32.48706 
1 1 1 4   5  68 o 42.183   17.800  7.4787     22.461  17.288     38.177  2.2863     27.776  53.896  22.993  43.411  19.057  10.48508       29.86375 
1 1 1 4   5  69 o 35.428   15.696  -1.7251    19.254  42.011     29.652  -33.6068   25.316  62.425  21.945  31.142  15.085  31.28267       26.62930 
1 1 1 4   5  70 o 58.856   18.509  36.690     21.210  56.429     32.497  22.043     27.994  69.687  22.999  51.032  20.519  18.65561       30.82187 
1 1 1 4   5  71 o 31.667   14.691  -10.9356   19.416  25.801     27.869  -45.5828   27.065  52.257  20.650  29.888  14.712  22.36888       25.35458 
1 1 1 4   6  0  o 150.880  9.7540  200.166    25.559  171.414    36.056  229.206    36.236  138.818 15.120  161.086 12.994  -22.26793      19.93629 
1 1 1 4   6  1  o 549.230  16.891  2657.45    161.984 2419.35    229.031 2895.75    229.128 521.197 25.167  571.148 22.976  -49.95105      34.07710 
1 1 1 4   6  2  o 496.433  15.895  2168.97    137.779 2086.95    194.812 2251.05    194.886 484.828 23.013  503.837 22.153  -19.00949      31.94252 
1 1 1 4   6  3  o 223.397  10.044  437.118    39.179  422.170    55.311  452.170    55.503  218.678 14.569  226.423 14.109  -7.745895      20.28129 
1 1 1 4   6  4  o 275.168  12.962  664.653    62.278  546.631    107.680 723.975    76.341  246.433 25.388  286.478 15.317  -40.04420      29.65105 
1 1 1 4   6  5  o 426.216  16.272  1599.72    121.098 1611.54    209.734 1593.81    148.319 423.135 28.555  424.493 20.011  -1.357941      34.86826 
1 1 1 4   6  6  o 218.309  14.363  420.687    54.442  355.621    76.630  486.998    77.360  198.978 22.449  234.025 19.098  -35.04738      29.47352 
1 1 1 4   6  7  o 161.132  14.178  229.914    39.483  235.906    55.597  223.818    56.079  162.114 20.070  157.660 20.885  4.453247       28.96572 
1 1 1 4   6  8  o 379.747  17.952  1272.57    119.033 1095.03    168.083 1451.19    168.595 348.637 27.844  403.140 24.061  -54.50308      36.79929 
1 1 1 4   6  9  o 413.516  18.639  1510.24    134.580 1240.51    190.084 1781.35    190.566 370.455 29.635  446.591 24.532  -76.13605      38.47134 
1 1 1 4   6  10 o 710.000  29.098  4526.00    360.737 4088.08    510.041 4964.34    510.279 661.555 44.412  733.738 39.980  -72.18237      59.75669 
1 1 1 4   6  11 o 94.538   9.0371  78.950     14.736  73.012     20.670  85.087     21.013  90.191  13.544  97.665  12.617  -7.473648      18.51047 
1 1 1 4   6  12 o 266.554  10.473  622.551    48.745  554.643    68.843  690.823    69.028  250.531 15.819  280.019 14.164  -29.48811      21.23334 
1 1 1 4   6  13 f 120.573  9.0645  127.975    18.944  110.927    26.701  145.253    26.881  111.503 14.025  128.111 12.163  -16.60714      18.56432 
1 1 1 4   6  14 o 287.090  13.348  723.662    66.909  695.774    81.948  779.430    115.883 280.550 16.806  295.560 22.627  -15.01019      28.18546 
1 1 1 4   6  15 o 373.921  15.240  1229.60    99.498  1243.19    121.892 1202.45    172.247 375.314 18.600  365.953 27.150  9.360687       32.91030 
1 1 1 4   6  16 o 342.339  13.832  1029.20    82.681  1127.31    101.422 834.801    142.761 357.891 16.230  304.672 27.119  53.21933       31.60490 
1 1 1 4   6  17 o 307.736  16.454  835.813    88.093  929.756    125.137 743.517    124.036 323.198 22.311  288.148 24.897  35.04984       33.43157 
1 1 1 4   6  18 o 314.745  17.234  874.847    94.352  816.523    133.443 933.155    133.425 301.963 25.549  323.462 23.791  -21.49954      34.91064 
1 1 1 4   6  19 o 313.414  24.618  877.035    133.635 877.035    133.635 0.0000     0.0000  313.414 24.618  ?       ?       0.000000       24.61776 
1 1 1 4   6  20 o 328.581  17.525  952.880    100.182 1025.27    141.711 880.552    141.645 339.282 24.077  313.745 26.093  25.53699       35.50434 
1 1 1 4   6  21 f 216.760  14.706  414.321    55.330  458.777    79.014  371.546    77.506  227.205 20.125  203.875 22.128  23.32927       29.91088 
1 1 1 4   6  22 o 311.625  16.476  855.844    89.332  958.047    127.087 756.024    125.597 328.521 22.287  291.015 24.959  37.50565       33.46116 
1 1 1 4   6  23 o 355.106  12.318  1104.98    76.375  1197.40    108.200 1013.21    107.823 369.074 16.790  338.806 18.294  30.26831       24.83102 
1 1 1 4   6  24 o 574.508  20.274  2910.03    203.379 3000.06    352.227 2865.00    249.100 576.724 35.145  568.568 25.092  8.155762       43.18317 
1 1 1 4   6  25 o 466.997  17.427  1917.81    142.102 2096.51    246.055 1828.38    174.065 484.284 29.236  455.027 21.908  29.25720       36.53347 
1 1 1 4   6  26 o 285.795  11.084  715.172    55.313  778.168    78.454  652.910    77.996  297.358 15.161  272.100 16.494  25.25861       22.40343 
1 1 1 4   6  27 o 421.095  14.024  1555.36    103.110 1576.66    145.846 1534.07    145.792 422.997 19.747  417.193 20.014  5.803589       28.11573 
1 1 1 4   6  28 o 425.702  14.087  1589.73    104.713 1576.23    147.780 1603.34    148.395 422.864 20.015  426.503 19.927  -3.639740      28.24295 
1 1 1 4   6  29 o 479.000  21.302  2025.40    178.160 2025.40    178.160 0.0000     0.0000  479.000 21.302  ?       ?       0.000000       21.30159 
1 1 1 4   6  30 o 534.205  23.691  2526.46    220.985 2526.46    220.985 0.0000     0.0000  534.205 23.691  ?       ?       0.000000       23.69141 
1 1 1 4   6  31 o 269.920  16.334  642.717    76.621  642.717    76.621  0.0000     0.0000  269.920 16.334  ?       ?       0.000000       16.33431 
1 1 1 4   6  32 o 256.478  15.790  580.211    70.366  513.290    98.832  649.010    100.209 239.529 23.952  270.207 21.415  -30.67805      32.12925 
1 1 1 4   6  33 o 426.378  16.191  1598.44    120.539 1464.73    207.939 1666.11    147.930 403.789 29.701  434.621 19.493  -30.83206      35.52689 
1 1 1 4   6  34 o 604.265  20.187  3224.04    212.992 2909.81    368.327 3381.90    261.069 565.213 37.535  617.358 24.219  -52.14557      44.67028 
1 1 1 4   6  35 o 272.746  12.878  652.565    61.330  582.707    104.749 689.003    75.652  255.225 23.779  279.527 15.562  -24.30241      28.41846 
1 1 1 4   6  36 o 208.460  12.514  382.516    45.338  324.275    76.024  414.664    56.482  189.807 23.437  216.697 15.020  -26.89006      27.83694 
1 1 1 4   6  37 o 114.685  13.514  117.052    26.542  111.655    41.993  120.642    34.251  110.277 22.569  115.741 17.494  -5.463692      28.55488 
1 1 1 4   6  38 o 414.501  15.751  1512.09    113.996 1355.03    196.193 1592.14    140.066 387.614 29.203  424.585 18.893  -36.97162      34.78151 
1 1 1 4   6  39 o 432.926  20.122  1658.89    152.103 1520.55    213.978 1800.19    216.254 410.046 30.097  447.427 27.819  -37.38101      40.98386 
1 1 1 4   6  40 o 146.969  23.534  196.820    58.356  0.0000     0.0000  196.820    58.356  ?       ?       146.969 23.534  0.000000       23.53438 
1 1 1 4   6  41 o 249.712  16.737  552.571    72.556  498.984    100.841 610.090    104.475 235.084 24.948  260.735 23.190  -25.65134      34.06181 
1 1 1 4   6  42 o 173.434  14.333  266.541    43.014  272.420    70.459  263.047    54.309  173.133 23.949  171.463 18.429  1.669662       30.21898 
1 1 1 4   6  43 o 259.735  14.081  595.696    63.621  495.582    106.312 651.555    79.410  233.370 26.563  271.027 16.864  -37.65685      31.46431 
1 1 1 4   6  44 o 56.467   21.560  19.983     29.583  55.737     32.927  -129.7031  67.372  78.160  22.750  48.082  23.576  30.07772       32.76287 
1 1 1 4   6  45 o 161.796  17.116  234.346    47.619  285.610    80.375  206.620    59.110  175.885 27.037  150.201 23.293  25.68340       35.68688 
1 1 1 4   6  46 o 309.010  14.986  843.789    80.856  877.081    138.243 826.479    99.684  310.485 25.732  304.210 18.860  6.275146       31.90334 
1 1 1 4   6  47 o 54.478   18.877  23.997     21.904  37.049     27.922  3.1112     35.320  65.297  21.308  52.666  22.278  12.63056       30.82712 
1 1 1 4   6  48 o 159.441  12.236  225.387    33.804  187.271    46.547  267.926    49.174  143.609 19.032  172.910 16.487  -29.30077      25.17998 
1 1 1 4   6  49 o 238.384  11.607  500.994    48.314  483.097    67.655  519.619    69.019  232.291 16.794  241.054 16.497  -8.763031      23.54099 
1 1 1 4   6  50 o 119.939  12.894  128.702    26.579  125.354    35.915  132.755    39.522  116.989 18.172  120.054 19.524  -3.065453      26.67228 
1 1 1 4   6  51 o 260.726  16.692  610.998    75.591  610.998    75.591  0.0000     0.0000  260.726 16.692  ?       ?       0.000000       16.69205 
1 1 1 4   6  52 o 153.435  16.104  213.158    42.500  213.158    42.500  0.0000     0.0000  153.435 16.104  ?       ?       0.000000       16.10380 
1 1 1 4   6  53 o 94.607   18.996  84.015     30.289  84.015     30.289  0.0000     0.0000  94.607  18.996  ?       ?       0.000000       18.99568 
1 1 1 4   6  54 o 230.699  13.241  476.767    53.115  451.957    64.749  527.812    92.876  222.901 16.759  237.134 22.708  -14.23317      28.22306 
1 1 1 4   6  55 o 194.424  11.429  337.422    38.630  345.902    53.590  328.250    55.735  194.902 15.885  189.245 17.050  5.656998       23.30347 
1 1 1 4   6  56 o 76.240   19.413  55.860     25.912  57.521     40.669  54.725     33.619  77.621  25.734  75.374  23.238  2.246376       34.67327 
1 1 1 4   6  57 o 151.513  14.462  209.772    37.795  247.105    63.809  189.595    46.909  159.029 23.704  141.456 19.511  17.57225       30.70132 
1 1 1 4   6  58 o 78.486   16.502  58.643     21.897  70.625     29.565  44.083     32.591  84.903  20.231  68.324  23.043  16.57835       30.66356 
1 1 1 4   6  59 o 144.464  13.878  191.736    34.576  166.764    40.277  261.699    67.416  132.525 17.861  161.095 24.760  -28.56969      30.52954 
1 1 1 4   6  60 o 31.769   14.296  -6.5754    16.643  0.4681     20.668  -19.5649   28.067  38.765  16.733  37.970  17.631  0.7953072      24.30788 
1 1 1 4   6  61 o 151.526  11.778  209.435    30.918  209.077    41.657  209.873    46.133  148.544 16.330  147.383 18.322  1.161057       24.54360 
1 1 1 4   6  62 o 36.659   16.234  -3.4873    20.576  -10.7666   31.536  1.9081     27.150  42.696  19.400  43.947  19.074  -1.251099      27.20621 
1 1 1 4   6  63 o 40.227   18.288  -9.9239    28.077  0.0000     0.0000  -9.9239    28.077  ?       ?       40.227  18.288  0.000000       18.28848 
1 1 1 4   6  64 f 55.545   22.797  21.898     35.395  0.0000     0.0000  21.898     35.395  ?       ?       55.545  22.797  0.000000       22.79697 
1 1 1 4   6  65 o 31.707   15.112  -24.4562   23.151  -34.2662   32.907  -14.8424   32.576  37.107  17.775  41.424  19.150  -4.317364      26.12827 
1 1 1 4   6  66 o 61.056   20.508  38.956     25.814  66.648     43.829  24.247     31.942  74.927  26.644  54.337  21.893  20.58989       34.48479 
1 1 1 4   6  67 o 42.059   17.474  9.5342     21.142  15.231     28.979  3.0523     30.912  48.797  20.381  45.130  19.946  3.667290       28.51724 
1 1 1 4   6  68 o 73.624   18.974  58.357     24.544  75.487     34.057  39.845     35.404  80.401  23.061  60.880  23.500  19.52104       32.92548 
1 1 1 4   6  69 o 61.448   19.521  41.589     23.542  30.153     34.999  51.039     31.816  55.805  22.759  65.863  22.755  -10.05740      32.18317 
1 1 1 4   6  70 o 55.283   18.888  33.208     21.901  65.188     32.283  5.9412     29.809  72.982  22.817  44.172  19.552  28.81015       30.04763 
1 1 1 4   7  0  o 200.947  11.304  354.985    39.503  412.076    48.438  241.610    68.260  216.342 12.881  163.132 24.740  53.20970       27.89273 
1 1 1 4   7  1  o 56.505   10.742  28.896     10.211  37.928     12.598  11.603     17.432  64.821  11.555  43.514  16.566  21.30695       20.19750 
1 1 1 4   7  2  o 503.767  22.920  2250.55    201.611 2250.55    201.611 0.0000     0.0000  503.767 22.920  ?       ?       0.000000       22.92036 
1 1 1 4   7  3  o 422.877  19.703  1579.38    145.483 1579.38    145.483 0.0000     0.0000  422.877 19.703  ?       ?       0.000000       19.70310 
1 1 1 4   7  4  o 334.471  17.212  987.849    100.179 987.849    100.179 0.0000     0.0000  334.471 17.212  ?       ?       0.000000       17.21194 
1 1 1 4   7  5  o 245.018  14.777  529.398    62.923  529.398    62.923  0.0000     0.0000  245.018 14.777  ?       ?       0.000000       14.77695 
1 1 1 4   7  6  o 240.311  15.286  509.658    63.809  448.312    90.180  571.165    90.298  223.637 23.443  253.393 20.587  -29.75636      31.19916 
1 1 1 4   7  7  o 336.501  17.738  1000.38    103.850 923.882    146.851 1076.90    146.882 321.013 26.434  347.393 24.369  -26.37991      35.95326 
1 1 1 4   7  8  o 216.011  14.843  411.844    55.645  368.427    78.632  455.397    78.756  202.747 22.596  226.210 20.150  -23.46304      30.27565 
1 1 1 4   7  9  f 41.053   11.543  15.166     8.6199  31.171     10.535  -17.2501   14.993  58.758  10.661  26.347  12.440  32.41096       16.38357 
1 1 1 4   7  10 o 191.385  14.593  323.496    48.399  311.189    68.590  335.701    68.305  186.433 21.462  193.931 20.482  -7.497849      29.66685 
1 1 1 4   7  11 o 188.104  14.143  312.297    46.112  373.353    65.334  251.695    65.090  205.054 18.445  167.130 22.908  37.92346       29.41051 
1 1 1 4   7  12 o 429.483  20.366  1627.95    152.726 1483.16    216.000 1772.70    215.974 406.099 30.689  445.243 27.922  -39.14493      41.48997 
1 1 1 4   7  13 o 261.209  12.559  598.091    57.281  497.192    70.011  802.381    99.621  237.163 17.020  301.176 19.042  -64.01317      25.53951 
1 1 1 4   7  14 o 495.873  18.088  2164.46    156.609 2059.27    191.755 2375.19    271.400 482.520 22.760  514.812 30.326  -32.29153      37.91703 
1 1 1 4   7  15 o 342.635  17.766  1035.72    105.921 975.354    149.562 1096.46    150.028 330.457 26.134  350.912 24.642  -20.45517      35.91932 
1 1 1 4   7  16 o 221.952  14.909  434.365    57.444  381.468    81.022  487.829    81.455  206.488 22.856  234.378 20.098  -27.89005      30.43550 
1 1 1 4   7  17 f 340.227  14.067  1015.49    83.569  1069.30    144.767 988.602    102.344 346.716 24.062  334.789 17.569  11.92709       29.79333 
1 1 1 4   7  18 o 314.194  11.251  864.499    61.722  838.421    87.307  890.555    87.269  308.481 16.267  318.430 15.696  -9.949493      22.60445 
1 1 1 4   7  19 o 610.921  18.115  3284.40    193.240 3329.59    273.283 3239.21    273.284 612.716 25.544  604.208 25.904  8.507446       36.38007 
1 1 1 4   7  20 o 521.567  17.338  2392.27    157.900 2108.19    273.466 2534.34    193.395 484.217 32.533  536.017 20.664  -51.79947      38.54095 
1 1 1 4   7  21 o 311.236  11.074  848.219    60.181  878.815    85.161  817.696    85.058  316.358 15.417  304.672 16.046  11.68628       22.25178 
1 1 1 4   7  22 o 569.036  16.468  2845.68    163.625 2981.29    231.469 2710.22    231.334 580.676 22.829  553.299 23.945  27.37628       33.08400 
1 1 1 4   7  23 o 358.013  14.407  1124.75    90.063  1113.20    110.326 1147.82    155.935 355.697 17.764  358.985 25.034  -3.287994      30.69616 
1 1 1 4   7  24 f 530.417  18.320  2476.93    169.673 2727.43    207.919 1977.55    293.564 555.740 21.427  467.008 36.286  88.73145       42.14007 
1 1 1 4   7  25 o 463.557  17.041  1889.96    137.933 1814.72    168.767 2041.34    239.377 453.292 21.323  477.681 28.835  -24.38895      35.86275 
1 1 1 4   7  26 o 89.535   16.953  72.803     25.534  72.803     25.534  0.0000     0.0000  89.535  16.953  ?       ?       0.000000       16.95341 
1 1 1 4   7  27 o 115.844  15.412  119.940    30.400  160.673    44.707  84.908     41.460  133.569 19.766  96.035  24.612  37.53412       31.56655 
1 1 1 4   7  28 o 413.301  19.874  1507.45    143.423 1556.26    203.060 1458.86    202.603 416.849 28.062  403.199 28.971  13.64938       40.33376 
1 1 1 4   7  29 o 281.277  16.509  698.348    80.727  720.102    114.865 677.115    113.480 284.112 23.361  275.322 23.841  8.790100       33.37873 
1 1 1 4   7  30 o 760.907  25.160  5147.11    334.280 5597.51    579.095 4922.03    409.370 779.464 42.712  740.209 31.674  39.25464       53.17443 
1 1 1 4   7  31 o 256.940  11.172  578.504    50.121  596.789    70.869  560.207    70.894  260.040 15.682  251.821 16.209  8.219574       22.55336 
1 1 1 4   7  32 o 265.783  10.995  619.015    51.024  657.943    72.363  580.525    71.955  273.132 15.234  256.341 16.159  16.79053       22.20773 
1 1 1 4   7  33 o 112.686  13.586  113.097    26.192  74.569     45.389  132.331    32.070  90.641  26.805  121.704 15.438  -31.06337      30.93277 
1 1 1 4   7  34 o 282.724  13.587  702.119    67.075  546.834    115.193 781.778    82.504  245.856 27.294  297.578 15.937  -51.72122      31.60629 
1 1 1 4   7  35 o 391.686  15.759  1350.90    107.780 1361.71    185.744 1345.42    132.338 388.973 27.526  390.026 19.432  -1.053650      33.69444 
1 1 1 4   7  36 o 121.608  14.013  131.711    29.210  77.909     46.041  167.958    37.790  92.310  26.911  137.149 16.086  -44.83953      31.35240 
1 1 1 4   7  37 o 323.306  14.420  919.779    81.403  836.362    139.441 962.904    100.261 304.414 26.498  329.747 17.476  -25.33295      31.74222 
1 1 1 4   7  38 o 495.483  22.604  2187.32    195.561 0.0000     0.0000  2187.32    195.561 ?       ?       495.483 22.604  0.000000       22.60431 
1 1 1 4   7  39 o 538.173  18.646  2565.99    175.211 2228.36    301.396 2738.34    215.335 491.232 35.376  554.242 22.251  -63.00961      41.79184 
1 1 1 4   7  40 o 166.270  14.233  245.303    40.922  168.944    64.980  295.493    52.682  134.286 28.590  182.080 16.759  -47.79434      33.13966 
1 1 1 4   7  41 o 222.892  14.418  439.863    55.813  563.108    67.210  166.048    100.179 252.086 15.342  131.797 40.017  120.2890       42.85739 
1 1 1 4   7  42 o 290.022  12.164  739.994    61.597  661.819    84.962  826.609    89.431  272.489 17.958  305.011 16.858  -32.52136      24.63068 
1 1 1 4   7  43 o 283.690  11.828  708.153    58.591  663.707    81.080  756.728    84.763  272.976 17.097  291.670 16.713  -18.69370      23.90917 
1 1 1 4   7  44 o 172.021  11.513  261.581    34.381  238.337    46.079  290.772    51.639  163.105 16.402  180.258 16.593  -17.15364      23.33142 
1 1 1 4   7  45 o 128.160  12.402  146.186    27.407  147.789    36.322  144.067    41.763  127.907 16.659  125.437 19.719  2.470703       25.81357 
1 1 1 4   7  46 o 36.997   15.489  2.3258     16.791  -13.7083   21.302  28.634     27.286  34.605  15.809  59.703  21.045  -25.09812      26.32097 
1 1 1 4   7  47 o 290.746  11.738  746.453    59.587  698.547    82.855  797.775    85.758  279.017 17.089  298.500 16.518  -19.48367      23.76745 
1 1 1 4   7  48 o 144.996  16.747  190.594    41.619  197.108    57.094  183.208    60.795  145.099 23.325  138.668 26.066  6.431351       34.97874 
1 1 1 4   7  49 o 39.329   16.810  0.2149     20.475  0.2149     20.475  0.0000     0.0000  39.329  16.810  ?       ?       0.000000       16.80991 
1 1 1 4   7  50 o 60.803   23.852  22.936     36.931  22.936     36.931  0.0000     0.0000  60.803  23.852  ?       ?       0.000000       23.85232 
1 1 1 4   7  51 o 290.845  16.992  768.489    85.915  768.489    85.915  0.0000     0.0000  290.845 16.992  ?       ?       0.000000       16.99167 
1 1 1 4   7  52 o 76.538   19.255  55.887     25.709  44.095     28.739  103.131    57.524  68.691  21.536  100.807 30.260  -32.11574      37.14160 
1 1 1 4   7  53 o 181.422  13.621  297.432    42.834  296.142    50.214  300.879    82.079  179.799 16.168  173.600 28.033  6.198792       32.36139 
1 1 1 4   7  54 o 210.791  11.436  398.111    41.932  386.324    58.141  410.887    60.533  204.911 16.387  211.258 16.542  -6.346725      23.28495 
1 1 1 4   7  55 o 57.567   18.016  30.912     20.121  43.938     26.798  14.077     30.465  67.586  20.732  52.251  21.263  15.33469       29.69760 
1 1 1 4   7  56 o 110.278  13.120  111.590    24.767  95.111     32.780  133.507    37.805  98.800  19.693  117.873 19.015  -19.07316      27.37513 
1 1 1 4   7  57 o 42.376   16.760  10.711     18.373  30.727     23.418  -21.3358   29.631  57.692  19.532  38.798  18.049  18.89375       26.59459 
1 1 1 4   7  58 o 59.989   18.056  34.914     20.461  27.535     26.406  46.003     32.370  56.302  20.593  68.213  22.965  -11.91088      30.84551 
1 1 1 4   7  59 o 114.037  16.279  124.441    31.494  135.186    50.041  117.393    40.528  111.765 26.113  106.688 22.466  5.076599       34.44725 
1 1 1 4   7  60 o 61.951   20.555  38.091     25.944  10.278     42.704  54.362     32.662  55.206  23.941  72.019  23.005  -16.81326      33.20266 
1 1 1 4   7  61 o 49.735   19.077  19.920     23.228  33.744     39.443  12.581     28.740  61.910  24.534  48.822  20.336  13.08796       31.86649 
1 1 1 4   7  62 o 51.002   17.836  24.406     19.576  36.573     24.533  3.0845     32.477  60.068  19.991  46.898  20.597  13.17047       28.70296 
1 1 1 4   7  63 o 101.247  17.362  102.941    29.589  82.486     45.091  118.410    39.212  82.717  27.081  104.647 22.151  -21.92966      34.98651 
1 1 1 4   7  64 o 47.284   18.572  17.807     22.415  38.082     32.684  -0.1960    30.800  60.763  22.784  44.152  19.689  16.61036       30.11254 
1 1 1 4   7  65 o 45.227   17.707  16.402     20.321  5.7655     27.345  29.519     30.368  43.925  19.103  55.548  21.674  -11.62384      28.89139 
1 1 1 4   7  66 o 35.345   15.532  0.2505     18.492  -9.6246    24.035  14.575     28.947  36.012  16.577  47.830  20.196  -11.81780      26.12844 
1 1 1 4   7  67 o 77.105   15.867  61.270     20.650  53.197     26.800  73.065     32.395  68.139  20.700  78.334  22.498  -10.19502      30.57200 
1 1 1 4   7  68 o 58.190   17.633  36.921     19.464  31.238     24.173  47.401     32.825  53.792  19.699  62.451  22.942  -8.659523      30.23860 
1 1 1 4   8  0  o 641.738  21.613  3635.36    242.176 3635.36    242.176 0.0000     0.0000  641.738 21.613  ?       ?       0.000000       21.61278 
1 1 1 4   8  1  o 250.576  12.525  550.220    54.801  550.220    54.801  0.0000     0.0000  250.576 12.525  ?       ?       0.000000       12.52515 
1 1 1 4   8  2  o 562.534  16.530  2780.75    162.359 2607.34    229.561 2954.31    229.659 542.690 24.226  578.145 22.750  -35.45477      33.23359 
1 1 1 4   8  3  o 296.943  11.081  772.068    57.454  689.866    81.148  854.693    81.357  279.682 16.693  312.055 14.931  -32.37332      22.39646 
1 1 1 4   8  4  o 349.184  12.668  1068.61    77.240  1005.24    109.174 1132.11    109.294 337.422 18.602  358.792 17.446  -21.36938      25.50288 
1 1 1 4   8  5  o 592.072  17.233  3082.31    178.160 2938.09    251.907 3226.63    252.004 575.782 25.056  603.797 23.903  -28.01508      34.62922 
1 1 1 4   8  6  o 224.819  9.7230  442.270    38.168  406.765    53.805  478.232    54.151  214.836 14.427  233.169 13.356  -18.33275      19.66040 
1 1 1 4   8  7  o 588.590  16.967  3045.62    174.374 2754.14    246.526 3337.47    246.677 557.349 25.332  614.368 22.995  -57.01843      34.21257 
1 1 1 4   8  8  o 557.431  15.379  2728.38    149.690 2380.91    211.557 3076.74    211.829 518.795 23.354  590.627 20.540  -71.83209      31.10211 
1 1 1 4   8  9  o 373.972  12.007  1225.27    78.403  1153.05    110.815 1297.66    110.944 362.066 17.529  384.258 16.536  -22.19116      24.09719 
1 1 1 4   8  10 o 195.050  10.170  333.879    34.517  330.720    48.735  337.059    48.896  193.599 14.523  195.468 14.428  -1.869720      20.47152 
1 1 1 4   8  11 o 531.374  18.502  2485.78    171.666 1974.80    297.144 2741.77    210.315 466.631 36.767  557.219 21.616  -90.58826      42.65105 
1 1 1 4   8  12 o 546.349  18.533  2627.98    176.794 2328.08    306.092 2778.11    216.572 507.845 34.727  560.742 22.120  -52.89716      41.17350 
1 1 1 4   8  13 o 146.784  10.818  189.661    27.530  168.922    46.970  200.513    33.977  136.978 20.249  150.676 13.043  -13.69868      24.08622 
1 1 1 4   8  14 o 335.085  13.808  984.921    80.788  763.153    139.622 1096.54    99.053  291.628 27.754  353.267 16.058  -61.63931      32.06527 
1 1 1 4   8  15 o 511.331  18.322  2301.91    163.581 2278.04    283.259 2313.85    200.371 503.251 32.408  511.589 22.431  -8.337860      39.41362 
1 1 1 4   8  16 o 596.259  20.909  3138.36    217.690 3068.05    377.025 3173.53    266.623 581.526 37.328  597.977 25.536  -16.45068      45.22702 
1 1 1 4   8  17 o 393.405  14.526  1358.52    99.779  1491.17    172.778 1292.14    122.219 409.501 24.272  383.071 18.272  26.42957       30.38143 
1 1 1 4   8  18 o 222.518  15.123  436.834    58.408  439.759    82.792  433.936    82.411  222.069 21.626  220.571 21.678  1.497620       30.62089 
1 1 1 4   8  19 o 385.283  18.792  1308.14    126.417 1308.14    126.417 0.0000     0.0000  385.283 18.792  ?       ?       0.000000       18.79160 
1 1 1 4   8  20 o 327.531  17.710  947.198    100.908 947.198    100.908 0.0000     0.0000  327.531 17.710  ?       ?       0.000000       17.71033 
1 1 1 4   8  21 o 205.469  15.069  372.839    53.686  372.839    53.686  0.0000     0.0000  205.469 15.069  ?       ?       0.000000       15.06921 
1 1 1 4   8  22 o 702.735  23.763  4380.07    291.576 4182.83    504.913 4478.75    357.146 673.538 43.160  707.957 28.892  -34.41937      51.93789 
1 1 1 4   8  23 o 280.911  16.376  696.544    79.973  585.726    112.847 808.356    113.352 255.401 25.652  301.508 21.676  -46.10658      33.58332 
1 1 1 4   8  24 o 98.469   15.426  87.252     25.651  34.445     35.383  145.755    37.242  67.115  23.931  127.543 17.158  -60.42749      29.44683 
1 1 1 4   8  25 o 194.766  11.967  333.845    40.501  309.139    49.574  383.435    70.235  186.898 15.326  207.475 19.620  -20.57660      24.89662 
1 1 1 4   8  26 o 343.870  14.551  1039.12    87.368  983.973    106.911 1150.01    151.590 333.470 18.433  358.874 24.336  -25.40384      30.52851 
1 1 1 4   8  27 o 443.547  14.525  1729.16    112.490 1582.43    158.946 1876.40    159.225 422.060 21.641  460.724 19.793  -38.66309      29.32718 
1 1 1 4   8  28 o 609.346  20.965  3288.65    223.057 2870.02    386.008 3498.52    273.307 557.682 39.905  626.610 24.980  -68.92792      47.07862 
1 1 1 4   8  29 o 270.842  13.121  644.183    62.050  617.050    106.796 658.011    76.239  262.384 23.562  272.874 16.072  -10.49066      28.52139 
1 1 1 4   8  30 o 290.087  13.715  739.557    69.471  677.630    119.844 770.897    85.256  274.423 25.296  295.262 16.604  -20.83887      30.25861 
1 1 1 4   8  31 o 272.225  13.488  651.314    64.112  693.996    110.641 629.739    78.664  278.360 22.969  266.637 16.985  11.72235       28.56679 
1 1 1 4   8  32 o 270.906  13.746  647.002    64.808  624.987    112.139 658.042    79.412  263.423 24.668  272.575 16.767  -9.152344      29.82637 
1 1 1 4   8  33 o 514.390  18.857  2343.10    169.363 2556.22    293.848 2237.09    207.250 529.499 31.932  500.569 23.712  28.92993       39.77354 
1 1 1 4   8  34 o 64.838   18.833  38.009     22.585  18.380     41.209  46.436     27.001  62.513  24.980  71.466  20.544  -8.952335      32.34289 
1 1 1 4   8  35 o 120.087  14.129  128.721    29.059  117.538    49.775  134.503    35.792  112.216 25.925  122.156 17.261  -9.939850      31.14582 
1 1 1 4   8  36 o 90.921   18.181  75.803     27.854  -9.4887    49.615  115.058    33.659  58.224  25.517  112.673 17.692  -54.44888      31.05041 
1 1 1 4   8  37 o 328.569  13.236  950.797    75.938  973.970    131.045 939.081    93.177  328.947 22.960  325.368 16.455  3.578949       28.24712 
1 1 1 4   8  38 o ?        ?       -92.9436   14.196  -96.9734   21.363  -89.7571   18.996  ?       ?       ?       ?       0.000000       ?        
1 1 1 4   8  39 o 194.010  11.409  332.195    38.478  332.549    54.282  331.837    54.552  193.051 16.255  192.818 16.357  0.2335358      23.06031 
1 1 1 4   8  40 o 201.345  11.578  358.036    40.534  391.899    57.067  323.559    57.583  209.704 15.699  189.932 17.562  19.77226       23.55618 
1 1 1 4   8  41 o 478.098  15.503  2028.02    129.418 1980.59    182.461 2076.05    183.594 468.479 22.306  479.910 21.910  -11.43179      31.26632 
1 1 1 4   8  42 o 335.919  12.869  997.230    75.483  932.900    105.758 1064.03    107.769 322.154 18.884  344.574 17.974  -22.42102      26.07064 
1 1 1 4   8  43 f 211.836  11.619  397.241    42.812  360.580    58.569  439.306    62.737  200.239 16.910  221.351 16.348  -21.11156      23.52002 
1 1 1 4   8  44 o 116.307  12.427  121.047    24.847  99.409     31.770  155.124    39.870  103.775 18.197  130.282 18.008  -26.50709      25.60117 
1 1 1 4   8  45 f 35.806   15.187  0.9218     16.488  6.2542     19.873  -10.8523   29.531  41.877  17.122  42.940  19.204  -1.063606      25.72910 
1 1 1 4   8  46 o 187.164  13.023  313.025    42.294  291.011    49.397  373.486    81.862  179.404 15.935  199.379 23.997  -19.97530      28.80568 
1 1 1 4   8  47 o 85.900   19.299  69.821     28.240  69.821     28.240  0.0000     0.0000  85.900  19.299  ?       ?       0.000000       19.29877 
1 1 1 4   8  48 o 89.206   18.341  75.051     27.614  75.051     27.614  0.0000     0.0000  89.206  18.341  ?       ?       0.000000       18.34094 
1 1 1 4   8  49 o 87.816   16.102  71.930     23.780  71.306     27.568  73.745     47.006  86.572  18.778  86.649  27.590  -0.7759094E-01 33.37360 
1 1 1 4   8  50 o 144.906  13.062  189.971    32.693  174.672    39.306  224.310    58.889  137.378 16.732  152.510 22.815  -15.13232      28.29294 
1 1 1 4   8  51 o 81.017   16.501  62.130     22.550  41.004     26.003  126.215    45.289  65.728  20.466  112.757 23.753  -47.02963      31.35347 
1 1 1 4   8  52 o 75.628   15.720  54.196     20.082  37.602     25.618  80.646     32.343  63.159  20.395  90.534  20.886  -27.37448      29.19176 
1 1 1 4   8  53 o 100.582  13.960  93.759     23.856  105.865    32.319  79.267     35.361  104.967 18.299  88.546  22.750  16.42115       29.19589 
1 1 1 4   8  54 o 26.501   12.645  -20.1616   16.312  -28.2187   21.738  -9.7776    24.678  30.029  14.401  38.186  17.275  -8.157301      22.49053 
1 1 1 4   8  55 o 181.826  11.484  300.319    36.272  289.348    49.728  312.791    53.022  174.936 16.474  181.555 16.921  -6.619843      23.61591 
1 1 1 4   8  56 o 121.466  15.515  140.030    32.154  172.541    58.186  125.736    38.581  125.407 27.343  111.812 20.517  13.59484       34.18523 
1 1 1 4   8  57 o 87.512   18.511  76.678     27.402  82.883     46.305  73.334     33.993  85.506  27.400  83.084  22.760  2.422119       35.61981 
1 1 1 4   8  58 o 54.016   19.533  26.877     23.661  21.983     39.920  29.527     29.378  57.411  23.945  57.144  21.565  0.2673340      32.22447 
1 1 1 4   8  59 o 27.705   13.356  -25.9677   19.274  -37.2014   32.723  -19.9998   23.851  36.451  17.530  33.545  15.794  2.906422       23.59541 
1 1 1 4   8  60 o 101.464  14.324  99.299     24.672  117.553    34.240  79.586     35.582  106.935 19.035  84.205  23.374  22.73071       30.14421 
1 1 1 4   8  61 o 45.464   16.737  18.271     17.482  16.690     23.195  20.350     26.601  47.007  18.755  50.331  20.084  -3.323219      27.47933 
1 1 1 4   8  62 o 168.683  13.578  273.118    39.653  249.398    65.809  286.638    49.686  143.503 27.261  168.480 17.128  -24.97624      32.19491 
1 1 1 4   8  63 o 58.407   18.518  36.356     21.195  16.923     30.264  55.060     29.691  49.354  20.735  69.198  21.916  -19.84463      30.17043 
1 1 1 4   8  64 o 43.591   17.167  15.536     19.199  9.4468     26.444  22.323     27.918  44.143  18.992  50.392  20.410  -6.248695      27.87924 
1 1 1 4   8  65 o 78.960   18.006  67.738     24.274  52.751     35.969  80.274     32.895  64.862  23.983  81.555  22.410  -16.69348      32.82360 
1 1 1 4   9  0  o 555.485  19.632  2720.43    190.415 2662.55    233.204 2836.21    329.824 548.099 24.368  560.885 33.836  -12.78650      41.69750 
1 1 1 4   9  1  o 274.998  12.547  662.897    60.248  612.377    73.728  764.435    104.525 263.486 16.103  293.627 20.516  -30.14148      26.08106 
1 1 1 4   9  2  o 483.319  14.725  2050.84    124.265 2126.94    143.544 1823.26    248.241 491.808 16.716  450.107 31.791  41.70154       35.91731 
1 1 1 4   9  3  o 105.454  9.0181  98.000     16.445  108.253    19.233  70.115     31.717  110.756 10.055  87.389  21.038  23.36615       23.31769 
1 1 1 4   9  4  o 265.527  10.766  617.406    49.914  677.446    70.813  558.120    70.367  277.396 14.672  251.480 16.110  25.91637       21.78999 
1 1 1 4   9  5  o 207.722  9.7063  377.642    35.205  392.853    49.914  362.583    49.661  211.179 13.609  202.774 14.114  8.404572       19.60654 
1 1 1 4   9  6  o 96.532   9.8903  82.415     16.435  119.938    29.210  65.033     19.880  115.954 14.762  85.007  13.873  30.94797       20.25738 
1 1 1 4   9  7  o 528.448  18.523  2460.57    170.910 2488.86    296.061 2446.44    209.308 525.619 32.417  525.687 22.803  -0.6793213E-01 39.63384 
1 1 1 4   9  8  o 287.970  12.708  727.170    63.896  735.362    110.464 723.051    78.329  287.483 22.178  286.398 15.724  1.084747       27.18620 
1 1 1 4   9  9  o 338.731  13.421  1006.69    79.377  1111.90    137.827 954.472    97.096  353.746 22.430  328.917 16.964  24.82999       28.12292 
1 1 1 4   9  10 o 422.548  15.119  1568.73    111.548 1776.40    193.548 1465.44    136.497 446.565 24.922  407.614 19.178  38.95163       31.44681 
1 1 1 4   9  11 o 681.419  19.555  4097.62    232.663 4443.28    329.105 3752.25    328.966 706.329 26.685  647.886 29.080  58.44275       39.46785 
1 1 1 4   9  12 o 280.937  11.144  691.498    54.664  757.278    77.550  626.540    77.065  293.163 15.202  266.326 16.656  26.83649       22.55040 
1 1 1 4   9  13 o 63.212   11.901  36.169     12.654  61.652     16.846  3.1801     19.167  83.019  11.967  40.008  16.631  43.01067       20.48944 
1 1 1 4   9  14 o 223.864  10.691  438.998    41.789  538.481    51.617  249.747    71.192  247.833 11.928  165.766 25.407  82.06779       28.06730 
1 1 1 4   9  15 o 165.437  11.454  241.018    32.883  261.247    40.708  203.032    55.783  171.971 13.670  149.904 21.964  22.06648       25.86999 
1 1 1 4   9  16 o 246.707  12.859  535.478    55.200  569.130    95.868  518.787    67.515  252.560 21.958  242.300 16.049  10.26077       27.19782 
1 1 1 4   9  17 o 445.857  20.761  1758.74    161.623 1575.00    228.448 1942.88    228.690 417.236 31.592  465.199 28.289  -47.96371      42.40632 
1 1 1 4   9  18 o 428.740  20.379  1625.95    152.558 1543.52    215.675 1708.50    215.823 413.582 30.072  435.927 28.512  -22.34525      41.43933 
1 1 1 4   9  19 o 475.756  21.870  2006.74    181.675 1985.05    256.898 2028.45    256.957 468.345 31.599  473.641 31.246  -5.296509      44.43916 
1 1 1 4   9  20 o 355.345  18.473  1117.79    114.224 1086.02    161.707 1149.43    161.367 347.594 26.852  357.970 25.994  -10.37662      37.37283 
1 1 1 4   9  21 o 212.309  21.998  404.061    80.364  0.0000     0.0000  404.061    80.364  ?       ?       212.309 21.998  0.000000       21.99768 
1 1 1 4   9  22 o 174.521  21.565  274.109    64.315  0.0000     0.0000  274.109    64.315  ?       ?       174.521 21.565  0.000000       21.56464 
1 1 1 4   9  23 o 404.597  19.755  1449.26    139.564 0.0000     0.0000  1449.26    139.564 ?       ?       404.597 19.755  0.000000       19.75541 
1 1 1 4   9  24 o 122.096  15.353  133.298    32.006  95.125     45.260  171.484    45.268  101.228 25.592  137.912 19.330  -36.68466      32.07178 
1 1 1 4   9  25 f 332.467  17.902  979.612    103.541 963.409    146.399 995.829    146.460 327.077 25.845  332.735 25.401  -5.658081      36.23782 
1 1 1 4   9  26 o 96.228   17.151  84.166     27.761  61.308     39.356  106.803    39.166  82.481  25.091  107.781 21.564  -25.30046      33.08416 
1 1 1 4   9  27 o 254.378  16.143  573.244    71.328  464.592    100.353 684.180    101.402 226.223 25.871  276.625 21.154  -50.40190      33.41851 
1 1 1 4   9  28 o 154.803  12.866  212.131    34.460  195.180    58.869  220.967    42.504  145.965 23.927  157.507 15.663  -11.54184      28.59791 
1 1 1 4   9  29 o 116.308  12.284  120.201    24.569  68.103     34.491  173.869    35.007  85.799  22.679  139.719 14.563  -53.91993      26.95235 
1 1 1 4   9  30 o 316.456  12.243  880.503    67.647  807.579    94.945  955.691    96.407  301.286 18.133  328.236 16.878  -26.95026      24.77241 
1 1 1 4   9  31 o ?        ?       -335.2448  7.5306  -296.6284  9.3506  -406.5234  12.704  ?       ?       ?       ?       0.000000       ?        
1 1 1 4   9  32 o 486.849  17.429  2102.31    148.160 1598.18    255.188 2358.66    181.972 412.988 35.741  514.258 20.266  -101.2701      41.08636 
1 1 1 4   9  33 o 26.639   12.931  -32.1032   18.853  -64.6245   26.614  0.6540     26.711  28.208  14.011  45.277  19.272  -17.06840      23.82669 
1 1 1 4   9  34 o 57.702   18.587  28.957     21.287  21.383     32.340  34.748     28.277  58.559  22.499  63.987  21.464  -5.427784      31.09538 
1 1 1 4   9  35 o 106.491  13.386  101.650    24.340  85.598     34.738  117.132    34.115  95.856  21.307  113.406 17.816  -17.55005      27.77405 
1 1 1 4   9  36 o 200.345  11.556  354.759    40.252  325.271    57.158  383.773    56.696  190.321 17.392  207.336 15.779  -17.01479      23.48334 
1 1 1 4   9  37 o 113.382  13.162  115.128    25.573  125.939    35.402  103.333    36.980  117.509 17.813  105.421 20.829  12.08865       27.40676 
1 1 1 4   9  38 o 530.764  16.884  2515.78    156.477 2578.08    221.242 2453.43    221.341 531.412 23.844  517.792 24.482  13.62018       34.17429 
1 1 1 4   9  39 o 163.396  11.569  236.973    32.793  210.280    46.169  264.151    46.586  152.169 17.708  171.407 15.741  -19.23866      23.69293 
1 1 1 4   9  40 o 176.413  11.501  276.297    35.234  269.327    50.011  283.167    49.647  172.549 16.813  177.170 16.229  -4.621140      23.36786 
1 1 1 4   9  41 o 239.715  11.454  508.680    47.944  482.919    67.858  534.357    67.747  231.129 16.932  243.615 16.016  -12.48517      23.30698 
1 1 1 4   9  42 o 270.705  13.514  653.438    63.877  662.089    78.053  635.892    111.153 270.600 16.600  259.770 24.807  10.83008       29.84900 
1 1 1 4   9  43 o 149.158  13.271  200.092    34.201  198.129    41.753  204.093    59.624  147.256 16.524  145.955 24.247  1.300415       29.34185 
1 1 1 4   9  44 o 79.627   20.401  60.776     28.492  60.776     28.492  0.0000     0.0000  79.627  20.401  ?       ?       0.000000       20.40083 
1 1 1 4   9  45 o 352.400  19.291  1150.01    118.253 1150.01    118.253 0.0000     0.0000  352.400 19.291  ?       ?       0.000000       19.29145 
1 1 1 4   9  46 o 102.549  15.992  97.779     27.701  112.877    33.346  64.162     49.757  109.477 18.076  81.817  28.446  27.65989       33.70271 
1 1 1 4   9  47 f 72.599   18.402  50.751     23.357  54.747     27.670  40.846     43.566  74.970  20.533  69.739  26.274  5.231339       33.34570 
1 1 1 4   9  48 o 64.824   18.222  40.413     21.484  25.156     24.959  84.051     42.211  55.091  20.040  90.561  25.572  -35.46994      32.48912 
1 1 1 4   9  49 o 104.275  14.341  100.946    25.420  110.320    33.144  87.554     39.614  107.178 18.372  92.420  24.246  14.75807       30.42026 
1 1 1 4   9  50 o 46.505   17.343  16.702     18.888  9.8857     23.121  30.377     32.748  45.213  18.475  60.306  22.766  -15.09275      29.31935 
1 1 1 4   9  51 o 88.926   15.488  75.293     23.174  68.090     29.039  87.923     38.454  82.261  20.333  91.754  23.800  -9.492928      31.30334 
1 1 1 4   9  52 o 39.200   15.869  7.8465     16.868  1.0677     20.017  24.448     31.325  38.229  16.485  56.161  21.986  -17.93139      27.47947 
1 1 1 4   9  53 o 70.737   20.144  51.173     26.080  33.710     37.353  67.782     36.428  61.976  24.078  79.408  24.136  -17.43239      34.09232 
1 1 1 4   9  54 o 79.905   19.686  65.667     27.287  80.952     40.107  52.492     37.234  85.255  25.192  70.383  24.599  14.87207       35.21037 
1 1 1 4   9  55 o 74.303   20.342  58.020     27.163  24.753     37.851  93.345     39.004  57.350  23.560  91.773  24.050  -34.42252      33.66751 
1 1 1 4   9  56 o 65.272   20.209  44.850     25.394  32.490     36.615  56.306     35.250  59.618  23.634  71.172  23.964  -11.55331      33.65822 
1 1 1 4   9  57 o 42.569   17.471  10.565     20.790  3.8206     22.966  41.194     48.938  40.781  17.621  64.668  26.703  -23.88697      31.99324 
1 1 1 4   9  58 o 76.385   16.856  59.763     21.879  50.557     29.028  71.871     33.291  67.461  21.702  79.314  22.815  -11.85278      31.48834 
1 1 1 4   9  59 o 50.405   17.467  25.239     18.754  12.235     23.979  45.727     30.097  44.661  18.587  63.844  22.127  -19.18322      28.89800 
1 1 1 4   9  60 o 43.740   17.507  14.651     20.277  35.004     29.327  -3.9909    28.067  57.302  21.563  40.431  18.344  16.87140       28.31054 
1 1 1 4   9  61 o 36.108   15.813  1.7122     19.021  -12.1316   26.767  15.834     27.035  36.844  17.145  46.913  19.648  -10.06885      26.07640 
1 1 1 4   9  62 o 31.655   14.522  -7.0496    18.235  -5.9744    25.332  -8.2061    26.270  37.408  17.145  37.336  17.238  0.7168961E-01  24.31268 
1 1 1 4   9  63 o 38.285   16.513  6.1117     20.097  7.2994     28.078  4.8641     28.777  43.014  19.010  42.497  18.985  0.5169144      26.86698 
1 1 1 4   10 0  o 442.309  14.518  1719.50    112.120 1735.59    129.561 1671.50    223.744 443.891 16.716  430.475 29.954  13.41605       34.30266 
1 1 1 4   10 1  o 591.736  19.839  3095.65    204.984 3229.24    251.184 2829.31    354.677 602.685 23.869  556.285 36.722  46.39960       43.79755 
1 1 1 4   10 2  o 196.001  11.800  338.106    40.194  363.009    49.458  289.667    68.979  202.787 14.055  179.349 22.524  23.43808       26.54921 
1 1 1 4   10 3  o 428.638  15.819  1617.13    118.392 1659.12    145.136 1533.63    204.679 433.342 19.181  412.754 28.576  20.58862       34.41667 
1 1 1 4   10 4  o 235.475  12.476  487.908    51.111  512.782    62.731  438.787    88.155  241.010 14.981  221.095 23.180  19.91454       27.59953 
1 1 1 4   10 5  o 144.900  14.124  186.235    35.281  186.235    35.281  0.0000     0.0000  144.900 14.124  ?       ?       0.000000       14.12405 
1 1 1 4   10 6  o 243.368  11.183  519.254    47.522  503.917    67.276  534.529    67.138  238.656 16.241  245.932 15.717  -7.276199      22.60065 
1 1 1 4   10 7  o 299.026  11.919  784.409    62.232  819.712    88.007  749.101    88.013  304.551 16.613  290.923 17.406  13.62808       24.06142 
1 1 1 4   10 8  o 319.612  13.802  897.671    77.023  942.679    94.485  808.513    132.984 326.637 16.622  299.921 25.640  26.71655       30.55662 
1 1 1 4   10 9  o 284.250  12.967  709.536    64.357  766.937    79.043  596.647    110.849 294.777 15.411  257.507 24.967  37.27023       29.34017 
1 1 1 4   10 10 o 433.317  16.864  1655.77    127.590 1617.53    156.391 1731.88    220.637 427.122 20.970  438.030 29.012  -10.90894      35.79712 
1 1 1 4   10 11 o 508.486  17.904  2283.39    158.964 2385.67    275.356 2232.26    194.684 513.168 30.874  501.207 22.246  11.96164       38.05394 
1 1 1 4   10 12 o 180.616  12.242  287.663    38.380  317.059    66.650  273.080    46.944  188.031 20.640  175.424 15.485  12.60661       25.80291 
1 1 1 4   10 13 o 106.409  12.341  100.727    22.503  70.519     38.225  116.749    27.839  87.572  24.196  114.343 14.253  -26.77153      28.08179 
1 1 1 4   10 14 f 190.708  10.719  319.908    35.548  301.600    49.990  338.637    50.560  184.355 15.679  195.564 14.919  -11.20834      21.64265 
1 1 1 4   10 15 o 117.056  12.498  121.696    25.149  92.203     30.304  186.943    45.074  100.689 17.892  144.286 18.303  -43.59666      25.59550 
1 1 1 4   10 16 o 232.978  12.847  478.419    52.060  473.415    63.659  488.524    90.456  231.176 15.867  233.191 22.495  -2.014572      27.52783 
1 1 1 4   10 17 o 192.260  12.396  326.063    41.391  297.181    50.466  385.425    72.350  182.871 15.965  207.444 20.232  -24.57314      25.77228 
1 1 1 4   10 18 o 668.362  23.153  3988.07    270.203 4027.70    330.899 3908.76    468.091 667.984 28.370  644.728 41.806  23.25641       50.52356 
1 1 1 4   10 19 o 407.226  14.023  1460.14    99.708  1424.70    140.859 1495.73    141.159 399.942 20.237  410.472 19.695  -10.53043      28.23881 
1 1 1 4   10 20 o 319.282  12.346  896.060    68.825  898.450    97.256  893.662    97.411  318.137 17.576  317.262 17.654  0.8752441      24.91191 
1 1 1 4   10 21 o 226.966  11.204  452.350    44.400  416.516    62.280  489.386    63.317  216.433 16.607  234.957 15.521  -18.52377      22.73073 
1 1 1 4   10 22 o 257.174  11.483  581.071    51.562  538.807    72.687  623.881    73.155  246.159 17.016  265.265 15.867  -19.10608      23.26591 
1 1 1 4   10 23 o 177.284  11.312  277.244    34.835  224.972    49.363  329.095    49.165  158.236 18.198  192.568 14.734  -34.33145      23.41450 
1 1 1 4   10 24 o 21.014   10.513  -44.8069   16.165  -107.6161  30.226  -19.6491   19.130  26.007  13.179  30.393  14.257  -4.385706      19.41495 
1 1 1 4   10 25 o 486.063  15.763  2090.42    133.783 2502.82    189.526 1680.86    188.873 529.422 20.502  430.750 25.222  98.67218       32.50375 
1 1 1 4   10 26 o 142.908  17.058  183.676    41.722  0.0000     0.0000  183.676    41.722  ?       ?       142.908 17.058  0.000000       17.05753 
1 1 1 4   10 27 o 323.057  15.059  923.522    84.943  700.796    148.617 1031.58    103.519 273.732 31.680  340.221 17.485  -66.48923      36.18462 
1 1 1 4   10 28 o 187.486  13.359  311.852    43.446  263.461    79.124  332.738    51.983  167.685 28.012  193.161 15.544  -25.47621      32.03619 
1 1 1 4   10 29 o 88.949   16.428  72.443     24.575  48.482     46.173  81.913     29.028  77.039  27.352  94.293  18.291  -17.25393      32.90428 
1 1 1 4   10 30 o 192.544  16.285  331.981    54.237  291.773    77.328  370.915    76.093  177.100 25.762  201.618 21.970  -24.51784      33.85797 
1 1 1 4   10 31 o 159.066  12.850  225.061    35.384  203.097    43.621  267.320    60.504  150.004 16.952  171.115 20.669  -21.11067      26.73154 
1 1 1 4   10 32 o 109.512  13.900  107.965    25.981  111.074    31.555  101.422    45.777  110.331 16.920  103.117 25.554  7.213638       30.64793 
1 1 1 4   10 33 f 122.094  12.921  133.462    27.126  114.489    32.427  177.687    49.507  111.888 17.145  138.572 21.130  -26.68306      27.21048 
1 1 1 4   10 34 o 42.669   15.354  13.813     14.595  6.1808     19.690  23.122     21.744  41.709  17.047  53.477  18.792  -11.76797      25.37242 
1 1 1 4   10 35 o 107.898  11.760  104.259    21.796  97.238     29.805  112.331    31.957  102.699 17.231  110.592 17.101  -7.892799      24.27709 
1 1 1 4   10 36 o 274.849  11.765  669.820    56.463  598.527    79.693  741.681    80.010  256.677 17.894  286.923 16.035  -30.24591      24.02681 
1 1 1 4   10 37 o 126.549  11.786  143.358    25.744  107.829    35.848  181.198    36.995  107.064 19.909  141.320 15.233  -34.25625      25.06800 
1 1 1 4   10 38 o 266.549  11.257  630.797    52.394  610.205    74.293  651.172    73.900  259.228 16.499  268.212 15.850  -8.984192      22.87923 
1 1 1 4   10 39 o 81.716   17.329  62.930     23.959  82.417     28.087  10.863     45.911  93.638  17.830  60.293  25.446  33.34491       31.07076 
1 1 1 4   10 40 f 116.720  16.606  126.268    32.888  126.268    32.888  0.0000     0.0000  116.720 16.606  ?       ?       0.000000       16.60573 
1 1 1 4   10 41 f 51.615   19.882  18.185     25.299  18.185     25.299  0.0000     0.0000  51.615  19.882  ?       ?       0.000000       19.88178 
1 1 1 4   10 42 o 117.617  19.317  131.888    38.293  131.888    38.293  0.0000     0.0000  117.617 19.317  ?       ?       0.000000       19.31697 
1 1 1 4   10 43 o 112.966  14.403  117.776    27.763  108.315    33.962  136.836    48.203  106.219 19.010  116.563 24.464  -10.34407      30.98157 
1 1 1 4   10 44 o 58.593   17.894  32.568     19.990  36.587     23.976  23.406     36.203  62.020  19.699  58.865  23.448  3.155544       30.62514 
1 1 1 4   10 45 o 191.197  13.225  334.221    43.881  319.311    53.702  364.178    76.121  184.299 16.875  191.055 23.301  -6.756012      28.77020 
1 1 1 4   10 46 o 141.958  11.575  183.300    28.441  182.543    39.549  184.110    40.929  138.779 16.654  139.005 17.232  -0.2256470     23.96456 
1 1 1 4   10 47 o 74.052   15.518  52.835     19.423  41.802     27.530  63.770     27.406  64.994  21.155  79.592  19.801  -14.59777      28.97611 
1 1 1 4   10 48 o 72.406   15.701  50.935     19.278  68.669     27.479  33.747     27.052  82.484  19.404  59.610  20.960  22.87375       28.56291 
1 1 1 4   10 49 o 47.224   16.793  19.625     17.411  24.154     24.421  14.943     24.829  52.866  19.719  48.024  19.319  4.842030       27.60580 
1 1 1 4   10 50 o 96.521   15.711  90.461     25.567  98.805     43.680  86.112     31.534  93.361  25.891  91.163  20.328  2.198128       32.91782 
1 1 1 4   10 51 o 77.530   17.784  61.047     23.562  71.018     39.376  55.484     29.409  78.934  25.264  71.897  21.649  7.037750       33.27051 
1 1 1 4   10 52 o 33.326   14.863  -3.5665    17.556  0.2645     28.358  -5.9476    22.356  43.114  19.077  36.576  16.504  6.537800       25.22539 
1 1 1 4   10 53 o 87.995   20.205  82.817     30.389  39.875     42.278  128.721    43.712  62.913  25.244  106.440 24.082  -43.52664      34.88891 
1 1 1 4   10 54 o 141.875  11.972  189.521    29.379  172.634    41.352  206.733    41.749  128.732 18.965  143.140 17.039  -14.40833      25.49507 
1 1 1 4   10 55 o 51.666   17.718  26.972     19.271  16.510     25.271  41.511     29.791  47.246  19.312  61.339  21.950  -14.09331      29.23609 
1 1 1 4   10 56 o 42.365   16.395  14.816     17.267  19.697     21.178  5.1393     29.820  46.999  18.166  44.413  19.612  2.586716       26.73256 
1 1 1 4   10 57 o 30.291   13.743  -5.0874    15.752  -6.8573    18.462  -0.3525    30.198  32.106  14.686  42.417  19.157  -10.31078      24.13852 
1 1 1 4   10 58 o 40.766   17.031  10.342     20.243  48.841     28.027  -31.6503   29.271  63.975  21.370  33.659  16.284  30.31576       26.86678 
1 1 1 4   10 59 o 41.344   17.171  11.958     20.406  8.1905     28.082  16.172     29.704  43.369  19.097  47.007  20.173  -3.638641      27.77886 
1 1 1 4   11 0  o 75.439   13.745  51.631     17.438  52.253     20.735  50.129     32.228  75.513  16.211  74.669  22.703  0.8435059      27.89623 
1 1 1 4   11 1  o 301.324  12.103  797.880    63.680  791.949    73.861  815.056    125.691 299.852 14.107  300.758 24.138  -0.9064331     27.95805 
1 1 1 4   11 2  o 310.392  12.128  846.692    65.730  850.437    76.199  835.801    129.938 310.728 14.044  304.347 24.664  6.381866       28.38205 
1 1 1 4   11 3  o 271.913  11.149  649.149    52.936  676.230    61.442  571.148    104.274 277.297 12.690  251.431 24.045  25.86546       27.18810 
1 1 1 4   11 4  o 427.614  14.132  1611.05    105.514 1655.85    121.986 1477.92    210.263 432.921 16.138  402.120 30.166  30.80072       34.21144 
1 1 1 4   11 5  o 383.281  15.546  1296.96    104.037 1339.83    127.756 1212.56    179.255 388.555 18.831  364.933 28.354  23.62210       34.03764 
1 1 1 4   11 6  o 328.327  17.757  957.778    101.419 986.645    143.682 929.114    143.176 330.433 25.091  320.284 25.821  10.14853       36.00382 
1 1 1 4   11 7  o 33.996   14.555  -0.6556    15.399  21.935     25.053  -14.3735   19.522  54.924  20.063  32.607  14.984  22.31625       25.04094 
1 1 1 4   11 8  o 141.257  15.822  178.440    38.353  151.609    51.831  210.910    57.018  128.050 24.065  152.161 22.108  -24.11078      32.67860 
1 1 1 4   11 9  o 129.819  11.242  149.144    25.232  133.711    34.561  166.758    36.924  121.834 16.685  136.490 15.784  -14.65563      22.96785 
1 1 1 4   11 10 f 48.005   16.635  18.417     17.010  2.2369     19.473  70.505     34.939  39.683  16.650  87.138  22.727  -47.45520      28.17348 
1 1 1 4   11 11 o 155.930  16.088  217.294    43.173  149.710    61.285  283.876    60.830  125.998 28.521  177.452 19.980  -51.45403      34.82303 
1 1 1 4   11 12 o 368.068  15.421  1197.61    99.108  1214.55    121.503 1163.93    171.320 369.052 18.919  357.017 27.699  12.03510       33.54379 
1 1 1 4   11 13 o 199.706  14.399  353.862    49.872  454.800    60.804  146.347    87.183  226.267 15.483  123.745 37.277  102.5215       40.36489 
1 1 1 4   11 14 o 626.345  22.022  3517.44    240.840 3862.05    294.925 2827.62    417.268 653.062 25.864  538.599 44.776  114.4634       51.70877 
1 1 1 4   11 15 o 342.843  14.831  1039.12    88.782  839.270    153.252 1140.07    108.922 301.404 29.498  358.268 17.412  -56.86404      34.25386 
1 1 1 4   11 16 o 234.455  11.518  483.669    47.150  410.051    66.197  559.478    67.175  214.003 17.879  250.939 15.406  -36.93565      23.60100 
1 1 1 4   11 17 o 142.327  12.484  179.866    30.712  118.098    43.643  240.459    43.226  112.602 22.975  164.117 15.259  -51.51528      27.58097 
1 1 1 4   11 18 o 113.217  12.712  114.427    24.695  124.334    34.042  103.423    35.879  117.081 17.161  105.844 20.150  11.23702       26.46757 
1 1 1 4   11 19 o 311.316  12.265  854.526    66.672  796.970    94.310  912.029    94.267  298.379 18.189  319.774 16.944  -21.39465      24.85794 
1 1 1 4   11 20 o 260.553  11.564  598.144    52.610  580.149    73.773  616.767    75.049  254.841 16.671  262.875 16.433  -8.034012      23.40871 
1 1 1 4   11 21 o 219.509  11.079  425.427    42.325  362.133    59.244  491.412    60.490  200.900 17.050  234.958 14.820  -34.05751      22.59069 
1 1 1 4   11 22 o 138.988  11.142  171.289    26.811  149.529    37.244  194.697    38.629  128.431 17.028  147.307 15.239  -18.87570      22.85102 
1 1 1 4   11 23 f 238.681  13.130  505.604    54.508  499.436    93.562  508.773    67.065  233.216 23.288  238.421 16.206  -5.204956      28.37160 
1 1 1 4   11 24 o 80.042   16.207  59.117     21.874  110.112    35.469  27.817     27.788  109.133 19.321  59.327  21.202  49.80593       28.68503 
1 1 1 4   11 25 o 263.123  13.508  615.761    61.851  506.451    107.148 670.388    75.745  232.247 26.922  273.609 15.924  -41.36215      31.27837 
1 1 1 4   11 26 o 86.133   16.867  68.652     24.459  86.660     46.826  61.895     28.683  94.992  26.973  81.087  20.304  13.90468       33.76047 
1 1 1 4   11 27 o 172.996  11.083  265.558    33.301  248.675    46.914  282.703    47.278  165.786 16.423  177.208 15.434  -11.42209      22.53665 
1 1 1 4   11 28 o 74.649   15.326  51.599     19.307  66.960     27.485  36.637     27.127  84.362  19.103  64.143  21.006  20.21890       28.39308 
1 1 1 4   11 29 o 276.845  11.815  679.930    57.111  672.423    80.945  687.370    80.589  272.472 17.101  275.652 16.824  -3.180054      23.98936 
1 1 1 4   11 30 o 316.732  12.435  892.646    68.771  856.351    96.996  929.334    97.520  306.469 18.208  319.790 17.532  -13.32101      25.27630 
1 1 1 4   11 31 o 164.986  10.673  242.205    30.581  199.613    42.513  287.872    44.021  147.620 16.793  178.672 14.228  -31.05208      22.00982 
1 1 1 4   11 32 o 144.345  12.603  187.350    31.445  171.038    52.139  196.676    39.422  133.393 23.229  146.807 15.619  -13.41454      27.99208 
1 1 1 4   11 33 o 99.548   16.593  92.281     27.826  67.992     37.704  121.337    41.238  83.364  24.368  112.254 21.826  -28.89025      32.71286 
1 1 1 4   11 34 o 155.826  15.458  222.279    41.503  217.734    57.482  227.229    59.986  150.443 22.580  153.418 23.110  -2.974854      32.30950 
1 1 1 4   11 35 o 115.758  26.765  136.098    53.017  136.098    53.017  0.0000     0.0000  115.758 26.765  ?       ?       0.000000       26.76481 
1 1 1 4   11 36 o 127.705  16.602  151.982    36.145  151.982    36.145  0.0000     0.0000  127.705 16.602  ?       ?       0.000000       16.60235 
1 1 1 4   11 37 o 51.901   19.037  21.643     22.588  21.643     22.588  0.0000     0.0000  51.901  19.037  ?       ?       0.000000       19.03672 
1 1 1 4   11 38 o 87.055   19.184  73.953     28.374  73.953     28.374  0.0000     0.0000  87.055  19.184  ?       ?       0.000000       19.18410 
1 1 1 4   11 39 o 57.517   17.560  31.483     19.252  26.636     23.829  40.593     32.670  55.208  19.644  65.762  23.039  -10.55440      30.27689 
1 1 1 4   11 40 o 57.851   18.213  31.946     20.530  35.606     26.166  26.086     33.112  61.278  20.647  58.204  22.654  3.074162       30.65136 
1 1 1 4   11 41 o 152.299  11.324  210.869    29.897  190.372    42.690  230.598    41.882  140.703 17.773  156.662 15.515  -15.95872      23.59221 
1 1 1 4   11 42 o 149.377  11.490  203.714    29.739  188.307    42.133  219.011    41.983  139.549 17.688  151.845 16.079  -12.29529      23.90454 
1 1 1 4   11 43 o 215.504  11.204  423.270    42.014  420.914    59.766  425.571    59.073  209.922 16.437  211.424 16.124  -1.501266      23.02465 
1 1 1 4   11 44 o 101.034  13.367  96.086     23.001  77.469     32.220  115.434    32.846  85.839  21.534  107.895 18.074  -22.05549      28.11369 
1 1 1 4   11 45 f 62.750   16.532  39.331     18.367  29.735     24.697  51.206     27.474  55.893  19.987  69.789  20.904  -13.89622      28.92189 
1 1 1 4   11 46 o 66.136   16.270  43.842     18.660  51.800     24.756  33.373     28.395  70.385  19.482  58.431  21.357  11.95366       28.90785 
1 1 1 4   11 47 o 67.596   22.176  49.749     30.229  0.0000     0.0000  49.749     30.229  ?       ?       67.596  22.176  0.000000       22.17580 
1 1 1 4   11 48 o 40.564   17.270  5.8646     21.459  4.5658     29.908  7.2429     30.809  45.229  19.817  46.676  20.288  -1.446781      28.36079 
1 1 1 4   11 49 o 99.151   19.352  104.062    32.300  75.740     45.097  133.896    46.284  77.359  27.070  106.264 25.307  -28.90501      37.05740 
1 1 1 4   11 50 o 119.342  12.783  136.505    26.222  133.482    36.136  139.866    38.111  112.252 19.122  114.216 19.829  -1.964180      27.54745 
1 1 1 4   11 51 o 32.987   14.543  -0.6463    16.335  0.2070     22.139  -1.6660    24.199  37.980  16.828  38.696  17.340  -0.7157936     24.16327 
1 1 1 4   11 52 f 43.520   16.770  16.429     18.005  27.222     24.246  3.1586     26.883  51.865  19.587  41.830  18.539  10.03460       26.96874 
1 1 1 4   11 53 o 66.973   16.569  47.817     19.269  48.563     24.988  46.722     30.264  64.913  20.038  62.434  22.147  2.479267       29.86615 
1 1 1 4   11 54 o 27.378   12.570  -6.4425    13.697  -12.0127   18.022  1.1735     21.074  29.611  13.874  36.905  16.382  -7.293732      21.46733 
1 1 1 4   11 55 o 30.885   14.021  -4.1274    16.427  -37.8013   24.202  24.640     22.369  28.445  13.984  48.712  18.713  -20.26775      23.36084 
1 1 1 4   12 0  o 213.762  15.777  408.152    58.471  406.163    84.044  410.018    81.400  210.507 23.254  211.896 22.337  -1.389618      32.24417 
1 1 1 4   12 1  o 256.591  16.542  588.478    73.718  565.546    105.506 610.352    103.043 248.033 24.690  258.560 23.066  -10.52661      33.78804 
1 1 1 4   12 2  o 54.629   21.588  15.880     30.461  15.880     30.461  0.0000     0.0000  54.629  21.588  ?       ?       0.000000       21.58814 
1 1 1 4   12 3  o 113.196  13.658  114.976    26.449  123.181    32.590  99.144     45.271  116.539 16.475  102.204 25.462  14.33585       30.32738 
1 1 1 4   12 4  o 64.304   17.421  38.148     20.046  29.180     24.275  57.373     35.542  58.796  19.886  78.900  23.809  -20.10434      31.02151 
1 1 1 4   12 5  o 124.431  16.589  140.261    35.143  140.261    35.143  0.0000     0.0000  124.431 16.589  ?       ?       0.000000       16.58856 
1 1 1 4   12 6  o 103.769  17.948  98.891     31.342  98.891     31.342  0.0000     0.0000  103.769 17.948  ?       ?       0.000000       17.94779 
1 1 1 4   12 7  o 266.433  16.553  635.376    76.624  635.376    76.624  0.0000     0.0000  266.433 16.553  ?       ?       0.000000       16.55274 
1 1 1 4   12 8  o 144.596  15.443  188.011    38.386  188.011    38.386  0.0000     0.0000  144.596 15.443  ?       ?       0.000000       15.44279 
1 1 1 4   12 9  o 217.212  15.756  422.385    59.351  422.385    59.351  0.0000     0.0000  217.212 15.756  ?       ?       0.000000       15.75596 
1 1 1 4   12 10 o 146.428  12.677  191.094    32.092  188.044    38.328  198.247    58.694  144.543 15.425  145.573 23.923  -1.029846      28.46424 
1 1 1 4   12 11 o 92.608   14.262  77.871     22.322  72.377     26.036  93.111     43.361  88.434  17.481  98.745  25.096  -10.31125      30.58462 
1 1 1 4   12 12 o 45.515   16.408  15.706     16.677  15.303     18.934  17.100     35.226  46.701  17.374  57.778  23.093  -11.07699      28.89894 
1 1 1 4   12 13 f 50.796   17.422  21.396     18.634  26.504     21.609  6.5832     36.795  55.759  18.763  54.471  22.873  1.288540       29.58440 
1 1 1 4   12 14 o 365.747  15.159  1193.76    96.807  1053.63    118.255 1478.44    168.557 340.384 19.985  399.709 24.266  -59.32495      31.43610 
1 1 1 4   12 15 o 331.635  14.443  980.277    83.632  867.954    101.960 1211.23    146.205 309.250 18.974  362.162 23.243  -52.91229      30.00438 
1 1 1 4   12 16 o 122.177  13.550  134.339    28.420  132.949    33.872  137.646    52.235  120.681 16.507  119.492 25.792  1.189102       30.62195 
1 1 1 4   12 17 o 103.643  14.213  97.494     25.043  99.941     29.440  91.088     47.630  104.227 16.744  96.781  27.106  7.445778       31.86074 
1 1 1 4   12 18 f 214.748  12.841  411.568    47.927  397.196    57.975  442.592    85.179  209.720 15.952  217.858 22.727  -8.138031      27.76618 
1 1 1 4   12 19 o 60.015   20.041  31.602     24.650  32.627     31.824  30.065     38.974  63.178  22.678  64.844  24.750  -1.665665      33.56870 
1 1 1 4   12 20 o 208.007  16.270  392.403    58.623  285.683    83.703  495.147    82.130  170.340 29.193  231.334 20.547  -60.99380      35.69861 
1 1 1 4   12 21 f 130.879  16.155  156.749    36.135  164.407    50.911  148.975    51.296  131.152 23.074  124.028 24.555  7.124634       33.69542 
1 1 1 4   12 22 o 256.425  16.585  598.155    73.859  538.592    104.501 657.609    104.404 236.758 25.691  264.263 22.851  -27.50424      34.38320 
1 1 1 4   12 23 o 134.259  12.570  162.312    29.124  129.058    35.218  234.249    51.798  117.802 17.667  158.675 19.078  -40.87378      26.00161 
1 1 1 4   12 24 o 189.867  12.454  323.566    41.058  269.672    50.001  435.126    71.939  171.259 16.943  216.419 19.238  -45.16010      25.63553 
1 1 1 4   12 25 o 123.080  13.938  138.023    29.427  157.355    35.840  98.027     51.550  130.671 16.045  98.050  28.444  32.62012       32.65788 
1 1 1 4   12 26 o 250.450  13.538  566.537    58.983  531.794    72.550  634.268    101.298 240.016 17.430  257.449 22.769  -17.43382      28.67498 
1 1 1 4   12 27 o 35.828   15.285  0.8919     16.873  26.446     20.734  -49.2230   29.036  54.576  18.379  32.427  15.809  22.14902       24.24271 
1 1 1 4   12 28 o 205.610  12.933  382.467    46.193  359.734    56.456  428.514    80.349  197.205 16.549  210.852 22.156  -13.64740      27.65367 
1 1 1 4   12 29 o 135.648  13.212  167.848    30.896  142.687    37.630  219.903    54.125  122.693 18.109  150.822 21.133  -28.12918      27.83074 
1 1 1 4   12 30 o 147.931  13.264  199.874    33.898  182.130    41.511  235.385    58.726  138.940 17.499  154.788 22.378  -15.84871      28.40769 
1 1 1 4   12 31 o 91.328   18.943  81.297     29.217  81.297     29.217  0.0000     0.0000  91.328  18.943  ?       ?       0.000000       18.94296 
1 1 1 4   12 32 o 136.963  13.141  172.212    31.040  180.977    37.207  152.143    56.298  139.090 15.588  119.338 27.572  19.75291       31.67362 
1 1 1 4   12 33 o 163.191  12.748  243.898    36.037  237.869    43.474  257.139    64.424  159.157 15.855  158.846 23.974  0.3103333      28.74257 
1 1 1 4   12 34 o 47.995   16.573  20.426     16.877  7.1848     19.517  59.683     33.605  40.970  16.885  75.964  23.202  -34.99319      28.69557 
1 1 1 4   12 35 o 34.526   14.380  3.7773     14.369  2.7999     18.380  5.3135     23.043  37.645  16.004  42.547  17.995  -4.902042      24.08255 
1 1 1 4   12 36 o 147.537  11.096  198.656    28.374  156.101    39.053  246.236    41.295  126.142 18.262  161.727 14.787  -35.58480      23.49834 
1 1 1 4   12 37 o 82.984   14.539  66.018     20.298  39.615     27.866  95.865     29.627  62.867  21.306  98.337  17.915  -35.46980      27.83712 
1 1 1 4   12 38 o 53.195   18.143  26.988     20.206  41.984     36.485  20.353     24.268  64.835  24.119  50.358  19.452  14.47728       30.98513 
1 1 1 4   12 39 o 197.159  13.771  366.406    47.110  368.711    81.654  365.256    57.678  181.094 26.617  192.818 17.316  -11.72385      31.75438 
1 1 1 4   12 40 o 56.862   18.852  32.513     21.826  130.231    40.927  -6.3233    25.801  110.176 22.044  39.176  17.699  70.99971       28.27028 
1 1 1 4   12 41 o 78.422   16.973  62.419     22.567  38.940     36.665  76.737     28.633  61.989  23.919  85.281  19.635  -23.29194      30.94592 
1 1 1 4   12 42 o 53.827   21.560  24.904     30.779  24.904     30.779  0.0000     0.0000  53.827  21.560  ?       ?       0.000000       21.56035 
1 1 1 4   12 43 o 72.402   28.020  66.243     50.432  66.243     50.432  0.0000     0.0000  72.402  28.020  ?       ?       0.000000       28.01977 
1 1 1 4   12 44 o 51.390   23.142  7.0290     43.698  7.0290     43.698  0.0000     0.0000  51.390  23.142  ?       ?       0.000000       23.14193 
1 1 1 4   12 45 o 163.031  14.228  260.568    40.096  258.750    73.381  261.341    47.875  136.469 31.442  158.927 17.545  -22.45798      36.00616 
1 1 1 4   12 46 o 64.531   19.462  46.540     23.753  46.463     47.967  46.565     27.341  62.829  26.230  63.592  21.101  -0.7623177     33.66409 
1 1 1 4   12 47 o 110.910  13.307  120.920    25.254  108.398    35.720  133.436    35.711  96.429  21.735  110.383 19.227  -13.95358      29.01851 
1 1 1 4   12 48 o 54.079   16.318  31.259     16.695  20.813     21.913  45.712     25.776  46.997  18.391  62.372  20.478  -15.37493      27.52431 
1 1 1 4   12 49 o 54.284   16.786  32.152     17.527  25.020     23.927  40.409     25.746  49.417  19.251  58.441  20.453  -9.024689      28.08809 
1 1 1 4   12 50 o 61.030   17.595  42.135     19.779  44.394     30.027  40.403     26.289  59.334  21.918  57.734  20.624  1.599964       30.09569 
1 1 1 4   12 51 o 78.472   17.618  69.482     23.549  59.815     36.875  76.139     30.602  64.469  24.195  77.089  21.775  -12.62035      32.55098 
1 1 1 4   13 0  o 38.454   15.495  6.5651     16.000  6.5651     16.000  0.0000     0.0000  38.454  15.495  ?       ?       0.000000       15.49459 
1 1 1 4   13 1  o 202.576  12.975  368.117    45.652  368.117    45.652  0.0000     0.0000  202.576 12.975  ?       ?       0.000000       12.97468 
1 1 1 4   13 2  o 69.948   16.274  45.986     19.502  45.986     19.502  0.0000     0.0000  69.948  16.274  ?       ?       0.000000       16.27427 
1 1 1 4   13 3  o 207.866  12.887  387.570    46.542  387.570    46.542  0.0000     0.0000  207.866 12.887  ?       ?       0.000000       12.88674 
1 1 1 4   13 4  o 125.791  11.059  141.619    24.043  146.604    28.098  127.987    46.461  127.485 12.795  114.608 23.987  12.87698       27.18654 
1 1 1 4   13 5  o 128.134  11.107  146.978    24.605  136.954    28.479  176.482    48.860  122.930 13.490  136.438 21.198  -13.50739      25.12591 
1 1 1 4   13 6  o 131.953  11.218  155.934    25.600  155.436    29.286  157.548    52.710  131.197 12.953  126.960 24.666  4.237617       27.86052 
1 1 1 4   13 7  o 252.048  11.263  565.426    49.570  483.918    57.038  816.988    100.204 231.494 14.179  296.893 19.437  -65.39905      24.05922 
1 1 1 4   13 8  o 210.255  10.605  393.698    38.809  345.627    44.349  550.843    80.186  195.975 13.035  243.769 18.989  -47.79416      23.03226 
1 1 1 4   13 9  o 32.096   12.709  5.2357     10.577  7.3459     11.241  -11.0580   31.236  34.482  13.261  43.706  19.634  -9.223835      23.69293 
1 1 1 4   13 10 o 29.064   12.084  1.9881     10.122  4.8228     10.705  -21.9586   31.114  31.893  12.736  40.394  18.689  -8.501066      22.61573 
1 1 1 4   13 11 o 55.280   14.024  28.606     13.558  24.731     14.670  51.293     35.493  51.706  15.224  73.489  24.025  -21.78235      28.44281 
1 1 1 4   13 12 o 133.738  10.481  160.061    24.279  145.799    27.443  211.421    52.078  126.928 12.547  149.137 20.544  -22.20885      24.07244 
1 1 1 4   13 13 o 49.234   14.524  22.380     13.341  19.580     14.409  39.199     35.313  46.971  15.305  66.760  23.897  -19.78907      28.37815 
1 1 1 4   13 14 f 114.815  13.812  120.678    27.133  137.979    49.033  113.042    32.576  117.527 24.679  109.524 17.633  8.002991       30.33132 
1 1 1 4   13 15 o 150.214  13.195  204.983    34.257  246.965    59.908  184.586    41.757  159.805 22.058  140.499 17.393  19.30687       28.09042 
1 1 1 4   13 16 o 235.750  13.080  503.143    53.629  451.555    93.066  528.790    65.619  213.081 25.522  239.798 15.760  -26.71666      29.99554 
1 1 1 4   13 17 o 150.424  12.896  205.675    33.545  238.798    58.323  189.301    41.007  156.725 21.912  142.328 16.826  14.39738       27.62712 
1 1 1 4   13 18 o 120.599  12.062  132.129    25.059  146.835    35.435  117.417    35.442  125.114 16.633  110.500 19.058  14.61427       25.29508 
1 1 1 4   13 19 f 43.120   16.263  13.433     16.703  26.098     24.507  2.4459     22.825  55.299  19.896  41.632  17.770  13.66675       26.67599 
1 1 1 4   13 20 o 69.041   17.514  46.238     21.146  40.375     28.206  53.762     31.951  64.965  21.426  73.439  22.656  -8.473892      31.18327 
1 1 1 4   13 21 o 89.167   14.184  74.344     21.343  60.361     28.060  93.540     32.877  77.836  20.399  97.432  19.996  -19.59589      28.56498 
1 1 1 4   13 22 o 149.956  11.648  204.245    30.259  174.809    40.827  240.120    45.072  135.292 17.708  159.755 16.390  -24.46365      24.12890 
1 1 1 4   13 23 o 203.538  11.068  374.608    39.187  324.368    54.052  430.274    56.896  185.160 16.905  214.916 15.261  -29.75639      22.77450 
1 1 1 4   13 24 o 145.807  11.809  194.036    29.807  146.221    39.594  256.583    45.284  122.182 19.192  165.016 15.914  -42.83409      24.93123 
1 1 1 4   13 25 o 193.417  11.665  340.905    39.212  282.566    54.190  405.022    56.810  170.751 18.470  207.340 15.811  -36.58838      24.31333 
1 1 1 4   13 26 o 108.958  12.740  110.131    23.779  100.716    32.844  120.503    34.473  100.415 19.435  110.683 18.490  -10.26765      26.82522 
1 1 1 4   13 27 o 54.298   18.176  27.983     20.276  20.798     23.902  46.426     38.293  50.868  19.390  68.082  24.814  -17.21444      31.49173 
1 1 1 4   13 28 o 157.650  13.443  231.926    36.651  233.699    45.241  228.541    62.519  155.398 16.948  145.246 25.586  10.15173       30.69040 
1 1 1 4   13 29 o 78.119   17.717  61.268     23.610  68.587     28.214  44.172     43.123  81.445  19.989  67.000  25.915  14.44418       32.72858 
1 1 1 4   13 30 o 40.841   16.612  9.2292     18.583  21.807     21.863  -23.5173   35.277  50.124  18.666  41.256  19.355  8.868496       26.88923 
1 1 1 4   13 31 o 97.913   13.592  91.289     22.610  70.367     31.496  113.535    32.477  80.713  21.825  106.168 18.173  -25.45520      28.40011 
1 1 1 4   13 32 o 47.958   16.375  21.702     16.461  9.0955     21.898  38.081     24.960  42.708  17.767  60.714  20.162  -18.00618      26.87334 
1 1 1 4   13 33 o 36.147   15.388  3.4576     17.033  -1.1566    23.646  8.4344     24.557  39.274  17.397  43.862  18.566  -4.587757      25.44301 
1 1 1 4   13 34 o 25.117   11.682  -9.3828    12.405  -6.3641    15.186  -15.4381   21.508  29.607  13.456  32.494  15.202  -2.886805      20.30238 
1 1 1 4   13 35 o 144.946  13.316  201.109    33.323  188.738    39.918  229.546    60.522  136.649 17.105  139.901 25.724  -3.252350      30.89171 
1 1 1 4   13 36 o 38.479   15.070  10.789     14.722  15.912     18.650  2.3198     23.979  44.012  17.038  40.358  17.712  3.654793       24.57633 
1 1 1 4   13 37 o 76.064   14.327  57.607     18.330  19.442     24.114  109.841    28.211  48.083  19.143  104.189 16.021  -56.10530      24.96184 
1 1 1 4   13 38 o 81.925   14.152  66.757     19.513  48.444     25.926  90.684     29.635  65.458  20.444  91.432  19.175  -25.97382      28.02935 
1 1 1 4   13 39 o 41.251   16.996  11.143     19.767  31.919     32.928  -0.5627    24.717  55.643  22.296  39.169  17.540  16.47374       28.36815 
1 1 1 4   13 40 o 89.265   17.484  85.026     26.276  77.601     45.999  88.621     32.012  73.966  27.161  87.338  21.205  -13.37240      34.45761 
1 1 1 4   13 41 o 56.852   19.072  36.291     22.325  11.548     39.048  48.307     27.212  49.039  21.997  63.659  21.048  -14.62048      30.44430 
1 1 1 4   13 42 o 64.161   19.608  48.096     23.997  -51.8986   41.116  99.751     29.552  36.893  18.155  94.894  18.500  -58.00090      25.92006 
1 1 1 4   13 43 f 68.465   16.595  51.179     19.632  40.635     26.381  64.266     29.389  58.070  20.669  71.603  21.660  -13.53338      29.93898 
1 1 1 4   13 44 o 71.519   20.129  62.107     26.198  5.6382     46.768  87.930     31.626  48.166  22.497  84.161  21.457  -35.99517      31.08827 
1 1 1 4   13 45 o 39.305   17.595  4.0760     24.853  0.0000     0.0000  4.0760     24.853  ?       ?       39.305  17.595  0.000000       17.59538 
1 1 1 4   14 0  o 253.117  13.087  586.480    57.641  510.109    70.242  743.940    100.860 231.866 17.478  275.268 21.146  -43.40234      27.43471 
1 1 1 4   14 1  o 242.464  12.954  537.925    54.644  493.925    66.723  627.544    95.224  228.753 16.823  251.648 21.890  -22.89471      27.60728 
1 1 1 4   14 2  o 88.914   13.038  73.518     19.640  73.721     22.569  72.885     39.867  88.110  15.220  83.072  25.249  5.038094       29.48168 
1 1 1 4   14 3  o 276.585  12.011  694.550    58.008  666.928    67.135  775.926    115.231 268.499 14.372  276.103 24.145  -7.604004      28.09871 
1 1 1 4   14 4  o 77.656   13.459  56.654     17.588  57.303     20.636  54.932     33.628  77.149  15.849  73.291  23.336  3.858147       28.20888 
1 1 1 4   14 5  o 55.066   15.195  29.126     15.087  22.565     17.755  46.174     28.620  49.960  17.007  67.912  21.518  -17.95284      27.42724 
1 1 1 4   14 6  o 18.848   9.2648  -21.2578   10.609  -28.5914   13.137  -7.5111    17.986  20.364  10.066  32.664  14.765  -12.29966      17.87021 
1 1 1 4   14 7  o 83.536   13.216  65.350     18.635  48.916     21.699  111.529    36.373  70.385  17.680  105.422 20.498  -35.03728      27.06938 
1 1 1 4   14 8  o 203.836  11.022  376.929    39.082  348.082    45.051  464.673    78.570  194.147 13.371  216.107 21.091  -21.96002      24.97218 
1 1 1 4   14 9  o 83.381   19.708  70.151     28.239  60.484     37.848  82.290     42.412  75.750  24.812  86.867  25.962  -11.11742      35.91172 
1 1 1 4   14 10 o 81.109   14.110  62.432     19.257  51.646     22.212  95.069     38.639  72.118  17.757  94.855  23.460  -22.73639      29.42242 
1 1 1 4   14 11 o 74.503   20.113  56.663     26.775  57.263     35.320  55.852     41.053  73.779  23.959  73.073  25.808  0.7065659      35.21471 
1 1 1 4   14 12 f 89.540   14.496  76.310     21.889  65.257     25.610  106.272    42.166  80.648  18.570  99.292  24.477  -18.64365      30.72429 
1 1 1 4   14 13 o 87.503   15.075  73.539     22.202  63.276     25.745  103.319    43.853  79.110  18.897  96.763  25.571  -17.65306      31.79559 
1 1 1 4   14 14 o 150.900  10.583  207.444    27.708  171.396    31.287  338.506    59.657  135.396 13.410  185.344 18.689  -49.94736      23.00258 
1 1 1 4   14 15 o 93.555   11.905  81.368     19.007  68.660     21.286  131.375    42.225  84.356  15.001  111.791 22.413  -27.43512      26.96960 
1 1 1 4   14 16 o 54.609   18.399  28.785     20.778  28.785     20.778  0.0000     0.0000  54.609  18.399  ?       ?       0.000000       18.39878 
1 1 1 4   14 17 o 87.828   16.122  75.712     23.812  63.037     28.651  104.024    42.820  77.354  20.773  96.267  25.185  -18.91296      32.64709 
1 1 1 4   14 18 o 35.751   14.457  6.7782     13.982  -7.2304    18.503  25.423     21.346  32.872  14.907  52.193  18.590  -19.32101      23.82901 
1 1 1 4   14 19 o 54.518   16.685  29.500     17.368  26.911     24.819  31.985     24.312  53.933  19.926  56.938  19.879  -3.004990      28.14640 
1 1 1 4   14 20 o 153.100  11.731  217.687    31.120  206.109    44.435  228.833    43.598  143.220 18.178  152.548 16.638  -9.327957      24.64264 
1 1 1 4   14 21 o 135.698  11.970  172.017    28.072  147.570    38.997  198.308    40.441  119.693 19.317  141.629 16.673  -21.93610      25.51744 
1 1 1 4   14 22 o 88.578   16.615  78.832     24.753  80.898     31.066  75.239     40.967  86.629  20.800  79.444  25.804  7.185249       33.14347 
1 1 1 4   14 23 o 44.946   17.877  14.922     21.012  25.089     23.995  -18.5179   43.518  51.962  19.514  46.143  21.600  5.819221       29.10939 
1 1 1 4   14 24 o 36.580   16.036  0.3721     19.609  12.990     21.373  -66.7406   49.293  43.932  17.836  40.846  20.056  3.086327       26.83926 
1 1 1 4   14 25 o 38.913   16.696  4.5312     20.336  9.6027     23.104  -12.9169   42.854  43.066  18.106  46.573  21.679  -3.506203      28.24586 
1 1 1 4   14 26 o 166.654  12.291  263.333    35.512  199.964    48.987  333.522    51.555  134.875 21.525  182.257 16.375  -47.38187      27.04556 
1 1 1 4   14 27 f 63.886   17.928  43.587     20.814  33.615     26.102  60.999     34.492  56.449  20.500  71.264  23.703  -14.81459      31.33854 
1 1 1 4   14 28 o 46.177   17.157  19.849     18.452  10.912     22.502  38.197     32.241  42.870  17.937  59.048  22.517  -16.17825      28.78824 
1 1 1 4   14 29 o 182.000  11.855  315.016    37.468  255.351    50.580  387.569    55.777  154.091 19.217  194.611 16.572  -40.52072      25.37570 
1 1 1 4   14 30 o 34.082   14.969  0.6157     17.155  -9.7618    20.409  25.598     31.666  32.728  15.140  52.489  21.555  -19.76041      26.34067 
1 1 1 4   14 31 o 96.821   14.339  94.147     23.508  55.676     30.545  150.040    36.817  67.596  22.297  117.865 18.498  -50.26894      28.97141 
1 1 1 4   14 32 o 52.653   16.911  29.702     17.632  28.262     24.668  31.205     25.212  51.826  19.712  53.555  20.024  -1.728298      28.09868 
1 1 1 4   14 33 o 74.304   15.712  58.147     19.747  30.859     27.269  88.238     28.635  53.182  20.598  88.600  19.074  -35.41790      28.07296 
1 1 1 4   14 34 o 45.489   16.515  20.947     16.939  23.964     23.777  17.837     24.136  48.681  19.125  45.627  18.787  3.053932       26.80946 
1 1 1 4   14 35 o 43.302   19.076  9.4331     28.048  0.0000     0.0000  9.4331     28.048  ?       ?       43.302  19.076  0.000000       19.07573 
1 1 1 4   14 36 o 82.208   27.686  107.966    47.049  0.0000     0.0000  107.966    47.049  ?       ?       82.208  27.686  0.000000       27.68630 
1 1 1 4   14 37 o 31.380   14.827  -13.5579   21.363  0.0000     0.0000  -13.5579   21.363  ?       ?       31.380  14.827  0.000000       14.82701 
1 1 1 4   14 38 o 76.896   22.700  80.578     32.577  0.0000     0.0000  80.578     32.577  ?       ?       76.896  22.700  0.000000       22.69969 
1 1 1 4   14 39 o 46.587   17.583  24.255     19.533  3.9093     28.866  41.439     26.529  40.403  18.436  56.145  20.625  -15.74245      27.66367 
1 1 1 4   15 0  o 75.969   13.817  56.391     17.653  53.408     20.043  66.707     37.274  72.486  16.239  75.051  24.625  -2.565971      29.49715 
1 1 1 4   15 1  o 103.320  12.228  101.197    21.631  83.354     24.737  159.174    44.590  91.083  16.145  120.487 22.006  -29.40376      27.29362 
1 1 1 4   15 2  o 80.876   14.487  64.447     19.706  55.020     22.653  93.773     39.955  72.432  17.992  88.795  24.811  -16.36236      30.64848 
1 1 1 4   15 3  o 120.037  14.551  140.639    29.876  112.978    36.517  196.628    51.953  101.625 21.263  132.289 23.345  -30.66383      31.57695 
1 1 1 4   15 4  o 78.674   16.507  63.174     21.952  54.179     26.715  81.869     38.517  70.145  20.514  82.583  24.755  -12.43808      32.14998 
1 1 1 4   15 5  o 74.806   16.401  57.240     20.832  51.777     25.901  67.251     35.059  68.682  20.231  75.483  23.805  -6.801361      31.24057 
1 1 1 4   15 6  o 55.789   16.971  32.134     18.006  19.328     22.375  55.663     30.330  47.679  18.604  69.862  22.153  -22.18319      28.92892 
1 1 1 4   15 7  o 50.426   18.025  24.928     20.085  24.767     29.416  25.070     27.491  52.751  21.096  52.353  20.566  0.3980141      29.46177 
1 1 1 4   15 8  o 49.892   16.077  25.016     15.924  22.423     18.971  31.202     29.301  48.386  17.491  55.779  21.419  -7.393024      27.65390 
1 1 1 4   15 9  o 155.470  12.459  230.199    33.538  220.018    40.880  251.159    58.656  148.021 16.075  148.274 23.435  -0.2530670     28.41840 
1 1 1 4   15 10 o 82.896   14.500  68.356     20.224  74.146     24.130  54.688     37.075  84.618  16.923  67.462  24.443  17.15596       29.72922 
1 1 1 4   15 11 o 31.782   13.360  3.5202     12.576  5.7174     13.861  -6.7076    29.906  34.320  14.195  40.760  18.662  -6.439274      23.44703 
1 1 1 4   15 12 o 74.968   14.942  56.799     18.873  37.076     21.597  120.520    38.819  58.585  18.706  102.437 22.333  -43.85247      29.13209 
1 1 1 4   15 13 o 143.981  15.157  207.184    37.532  108.227    49.478  341.295    57.599  88.292  28.326  179.494 18.651  -91.20236      33.91481 
1 1 1 4   15 14 o 96.670   13.854  92.321     22.716  77.153     25.859  143.596    47.543  84.946  17.994  106.946 25.765  -21.99989      31.42656 
1 1 1 4   15 15 o 134.980  16.509  187.563    38.099  144.768    50.207  245.664    58.500  104.776 27.203  143.234 24.257  -38.45719      36.44720 
1 1 1 4   15 16 o 137.112  12.644  182.047    29.930  148.759    34.922  274.165    58.093  119.019 17.311  154.220 22.214  -35.20092      28.16324 
1 1 1 4   15 17 o 52.122   20.791  26.934     28.496  26.934     28.496  0.0000     0.0000  52.122  20.791  ?       ?       0.000000       20.79075 
1 1 1 4   15 18 o 111.920  16.015  129.544    30.404  129.544    30.404  0.0000     0.0000  111.920 16.015  ?       ?       0.000000       16.01491 
1 1 1 4   15 19 o 51.651   20.750  26.754     28.603  26.754     28.603  0.0000     0.0000  51.651  20.750  ?       ?       0.000000       20.75045 
1 1 1 4   15 20 o 66.649   19.946  52.000     25.021  59.628     33.466  42.334     37.675  67.987  23.346  59.049  23.782  8.937561       33.32624 
1 1 1 4   15 21 o 40.892   16.825  12.145     19.338  -10.2443   30.827  26.671     24.831  39.127  18.271  50.525  19.631  -11.39762      26.81821 
1 1 1 4   15 22 o 53.389   18.517  31.944     21.079  31.381     34.233  32.288     26.752  53.716  22.270  53.490  20.484  0.2260094      30.25779 
1 1 1 4   15 23 o 102.241  16.153  111.064    27.879  66.923     45.785  137.073    35.146  66.441  26.400  110.265 18.937  -43.82381      32.48962 
1 1 1 4   15 24 o 67.008   18.741  52.423     22.785  36.442     35.693  63.413     29.601  55.103  22.783  70.365  21.823  -15.26163      31.54910 
1 1 1 4   15 25 o 61.657   18.905  45.185     22.285  44.137     34.328  45.948     29.298  57.941  22.911  59.675  21.712  -1.733948      31.56468 
1 1 1 4   15 26 o 44.758   17.538  20.066     19.949  -12.3369   30.079  45.509     26.653  37.292  17.612  59.754  20.817  -22.46220      27.26736 
1 1 1 4   15 27 o 40.032   17.024  11.086     20.807  -19.0149   28.321  46.387     30.670  34.552  16.535  58.663  22.056  -24.11163      27.56569 
1 1 1 4   15 28 o 55.944   19.885  39.554     24.409  25.540     33.639  55.137     35.473  49.137  21.279  61.063  23.537  -11.92575      31.72960 
1 1 1 4   15 29 o 97.998   18.935  114.344    31.228  77.800     46.990  143.248    41.791  65.515  26.499  101.596 23.949  -36.08133      35.71768 
1 1 1 4   15 30 o 39.018   17.082  9.0282     22.182  31.038     31.848  -11.7070   30.912  50.070  21.166  36.900  17.552  13.17024       27.49622 
1 1 1 4   16 0  o 68.715   16.694  52.330     19.832  45.213     24.910  64.653     32.777  60.641  20.142  68.971  23.109  -8.329983      30.65496 
1 1 1 4   16 1  o 36.689   14.480  10.889     13.687  1.0961     15.439  46.833     29.579  32.142  14.156  60.119  21.825  -27.97753      26.01392 
1 1 1 4   16 2  o 49.205   16.168  26.446     16.067  31.623     18.214  8.2929     34.109  52.923  17.207  44.768  20.276  8.155495       26.59301 
1 1 1 4   16 3  o 61.229   16.424  41.740     17.922  32.584     20.179  75.943     39.001  53.155  18.130  71.332  25.158  -18.17661      31.01049 
1 1 1 4   16 4  f 150.316  11.252  219.704    29.318  192.814    33.911  299.290    58.340  136.406 14.458  155.299 22.142  -18.89276      26.44406 
1 1 1 4   16 5  o 80.206   14.379  67.322     19.398  53.738     22.122  112.502    40.344  67.782  18.275  89.341  24.921  -21.55856      30.90337 
1 1 1 4   16 6  o 44.264   15.829  20.532     15.489  16.530     17.430  35.564     33.778  41.848  16.395  53.712  22.182  -11.86348      27.58358 
1 1 1 4   16 7  o 89.363   13.901  82.726     20.985  71.352     24.309  115.993    41.576  78.612  18.086  89.396  25.426  -10.78416      31.20263 
1 1 1 4   16 8  o 24.860   11.466  -5.8663    11.575  -3.2321    13.068  -15.4552   24.934  27.702  12.548  33.273  15.808  -5.571165      20.18293 
1 1 1 4   16 9  o 42.738   15.675  18.849     15.315  20.105     17.754  15.198     30.273  44.030  16.729  45.003  19.822  -0.9733734     25.93760 
1 1 1 4   16 10 o 52.038   16.048  30.501     16.033  22.201     19.057  50.607     29.661  45.482  17.319  60.783  21.886  -15.30088      27.90975 
1 1 1 4   16 11 o 75.344   16.871  64.446     21.643  64.446     21.643  0.0000     0.0000  75.344  16.871  ?       ?       0.000000       16.87102 
1 1 1 4   16 12 o 63.686   16.958  47.007     19.194  47.007     19.194  0.0000     0.0000  63.686  16.958  ?       ?       0.000000       16.95841 
1 1 1 4   16 13 o 52.775   17.221  32.891     18.239  32.891     18.239  0.0000     0.0000  52.775  17.221  ?       ?       0.000000       17.22099 
1 1 1 4   16 14 o 47.755   16.423  26.082     16.565  26.082     16.565  0.0000     0.0000  47.755  16.423  ?       ?       0.000000       16.42331 
1 1 1 4   16 15 o 98.039   20.428  121.517    33.836  121.517    33.836  0.0000     0.0000  98.039  20.428  ?       ?       0.000000       20.42840 
1 1 1 4   16 16 o 103.002  15.681  117.770    27.312  119.391    32.955  114.213    48.807  97.391  20.048  76.508  27.995  20.88303       34.43287 
1 1 1 4   16 17 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 5   0  0  o 681.005  28.403  4085.53    336.400 4085.53    336.400 4085.53    336.400 681.005 28.403  681.005 28.403  0.000000       0.000000 
1 1 1 5   0  1  o 674.759  28.195  4010.85    330.870 4010.85    330.870 4010.85    330.870 674.759 28.195  674.759 28.195  0.000000       0.000000 
1 1 1 5   0  2  o 67.065   15.613  45.125     15.899  45.125     15.899  45.125     15.899  67.065  15.613  67.065  15.613  0.000000       0.000000 
1 1 1 5   0  3  o 1436.69  55.870  18376.50   1396.73 18376.50   1396.73 18376.50   1396.73 1436.69 55.870  1436.69 55.870  0.000000       0.000000 
1 1 1 5   0  4  o 53.403   16.027  30.796     13.022  30.796     13.022  30.796     13.022  53.403  16.027  53.403  16.027  0.000000       0.000000 
1 1 1 5   0  5  f 142.048  13.898  181.331    33.714  181.331    33.714  181.331    33.714  142.048 13.898  142.048 13.898  0.000000       0.000000 
1 1 1 5   0  6  o 545.469  23.821  2620.05    225.897 2620.05    225.897 2620.05    225.897 545.469 23.821  545.469 23.821  0.000000       0.000000 
1 1 1 5   0  7  o 528.959  23.063  2463.53    212.085 2463.53    212.085 2463.53    212.085 528.959 23.063  528.959 23.063  0.000000       0.000000 
1 1 1 5   0  8  o 242.014  15.491  518.270    64.848  518.270    64.848  518.270    64.848  242.014 15.491  242.014 15.491  0.000000       0.000000 
1 1 1 5   0  9  o 113.961  14.048  118.572    26.813  118.572    26.813  118.572    26.813  113.961 14.048  113.961 14.048  0.000000       0.000000 
1 1 1 5   0  10 o 414.640  19.933  1514.92    143.553 1514.92    143.553 1514.92    143.553 414.640 19.933  414.640 19.933  0.000000       0.000000 
1 1 1 5   0  11 f 328.895  25.237  964.679    142.969 964.679    142.969 964.679    142.969 328.895 25.237  328.895 25.237  0.000000       0.000000 
1 1 1 5   0  12 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 5   0  13 f 671.321  40.405  4022.54    469.684 4022.54    469.684 4022.54    469.684 671.321 40.405  671.321 40.405  0.000000       0.000000 
1 1 1 5   0  14 o 258.668  22.920  600.082    101.651 600.082    101.651 600.082    101.651 258.668 22.920  258.668 22.920  0.000000       0.000000 
1 1 1 5   0  15 f 499.382  32.319  2222.96    279.098 2222.96    279.098 2222.96    279.098 499.382 32.319  499.382 32.319  0.000000       0.000000 
1 1 1 5   0  16 o 75.105   15.559  55.215     18.004  55.215     18.004  55.215     18.004  75.105  15.559  75.105  15.559  0.000000       0.000000 
1 1 1 5   0  17 o 359.321  18.382  1139.64    114.638 1139.64    114.638 1139.64    114.638 359.321 18.382  359.321 18.382  0.000000       0.000000 
1 1 1 5   0  18 o 109.576  14.151  110.156    25.832  110.156    25.832  110.156    25.832  109.576 14.151  109.576 14.151  0.000000       0.000000 
1 1 1 5   0  19 o 530.786  23.541  2489.23    217.196 2489.23    217.196 2489.23    217.196 530.786 23.541  530.786 23.541  0.000000       0.000000 
1 1 1 5   0  20 o 10.388   6.1177  1.0643     1.8892  1.0643     1.8892  1.0643     1.8892  10.388  6.1177  10.388  6.1177  0.000000       0.000000 
1 1 1 5   0  21 o 69.958   16.176  49.095     17.194  49.095     17.194  49.095     17.194  69.958  16.176  69.958  16.176  0.000000       0.000000 
1 1 1 5   0  22 o 457.875  21.262  1853.30    169.153 1853.30    169.153 1853.30    169.153 457.875 21.262  457.875 21.262  0.000000       0.000000 
1 1 1 5   0  23 o 149.556  22.678  209.536    55.187  209.536    55.187  209.536    55.187  149.556 22.678  149.556 22.678  0.000000       0.000000 
1 1 1 5   0  24 o 92.557   26.565  91.663     37.225  91.663     37.225  91.663     37.225  92.557  26.565  92.557  26.565  0.000000       0.000000 
1 1 1 5   0  25 o 179.424  21.298  294.548    64.245  294.548    64.245  294.548    64.245  179.424 21.298  179.424 21.298  0.000000       0.000000 
1 1 1 5   0  26 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 5   0  27 o 150.366  21.305  210.144    52.695  210.144    52.695  210.144    52.695  150.366 21.305  150.366 21.305  0.000000       0.000000 
1 1 1 5   0  28 o 596.093  37.113  3198.87    382.854 3198.87    382.854 3198.87    382.854 596.093 37.113  596.093 37.113  0.000000       0.000000 
1 1 1 5   0  29 o 95.894   14.220  85.606     22.270  85.606     22.270  85.606     22.270  95.894  14.220  95.894  14.220  0.000000       0.000000 
1 1 1 5   0  30 o 134.019  13.648  162.002    31.177  162.002    31.177  162.002    31.177  134.019 13.648  134.019 13.648  0.000000       0.000000 
1 1 1 5   0  31 o 130.100  14.059  153.219    30.993  153.219    30.993  153.219    30.993  130.100 14.059  130.100 14.059  0.000000       0.000000 
1 1 1 5   0  32 o ?        ?       -10.2667   2.4947  -10.2667   2.4947  -10.2667   2.4947  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 5   0  33 o 121.809  14.448  135.195    29.591  135.195    29.591  135.195    29.591  121.809 14.448  121.809 14.448  0.000000       0.000000 
1 1 1 5   0  34 o 29.226   16.433  9.9465     12.717  9.9465     12.717  9.9465     12.717  29.226  16.433  29.226  16.433  0.000000       0.000000 
1 1 1 5   0  35 o 248.805  16.093  548.693    69.242  548.693    69.242  548.693    69.242  248.805 16.093  248.805 16.093  0.000000       0.000000 
1 1 1 5   0  36 o 432.400  20.584  1650.85    154.607 1650.85    154.607 1650.85    154.607 432.400 20.584  432.400 20.584  0.000000       0.000000 
1 1 1 5   0  37 o 185.269  22.713  314.506    70.518  314.506    70.518  314.506    70.518  185.269 22.713  185.269 22.713  0.000000       0.000000 
1 1 1 5   0  38 o 310.697  25.108  864.987    134.164 864.987    134.164 864.987    134.164 310.697 25.108  310.697 25.108  0.000000       0.000000 
1 1 1 5   0  39 o 445.157  30.242  1771.95    232.574 1771.95    232.574 1771.95    232.574 445.157 30.242  445.157 30.242  0.000000       0.000000 
1 1 1 5   0  40 o 368.079  18.918  1197.23    120.851 1197.23    120.851 1197.23    120.851 368.079 18.918  368.079 18.918  0.000000       0.000000 
1 1 1 5   0  41 o 294.708  17.187  768.741    87.753  768.741    87.753  768.741    87.753  294.708 17.187  294.708 17.187  0.000000       0.000000 
1 1 1 5   0  42 o 234.749  16.199  489.568    65.671  489.568    65.671  489.568    65.671  234.749 16.199  234.749 16.199  0.000000       0.000000 
1 1 1 5   0  43 o 225.689  16.097  452.988    62.694  452.988    62.694  452.988    62.694  225.689 16.097  225.689 16.097  0.000000       0.000000 
1 1 1 5   0  44 o 327.886  17.889  951.248    101.720 951.248    101.720 951.248    101.720 327.886 17.889  327.886 17.889  0.000000       0.000000 
1 1 1 5   0  45 o 236.378  16.358  496.737    66.773  496.737    66.773  496.737    66.773  236.378 16.358  236.378 16.358  0.000000       0.000000 
1 1 1 5   0  46 o 172.694  16.189  268.237    47.831  268.237    47.831  268.237    47.831  172.694 16.189  172.694 16.189  0.000000       0.000000 
1 1 1 5   0  47 o 246.964  16.807  542.406    71.703  542.406    71.703  542.406    71.703  246.964 16.807  246.964 16.807  0.000000       0.000000 
1 1 1 5   0  48 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 5   0  49 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 5   0  50 o ?        ?       -152.9270  35.793  -152.9270  35.793  -152.9270  35.793  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 5   0  51 o 270.487  26.517  667.398    122.473 667.398    122.473 667.398    122.473 270.487 26.517  270.487 26.517  0.000000       0.000000 
1 1 1 5   0  52 f 88.598   26.245  85.276     35.314  85.276     35.314  85.276     35.314  88.598  26.245  88.598  26.245  0.000000       0.000000 
1 1 1 5   0  53 o ?        ?       -76.7163   17.500  -76.7163   17.500  -76.7163   17.500  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 5   0  54 o 512.585  22.917  2347.95    204.177 2347.95    204.177 2347.95    204.177 512.585 22.917  512.585 22.917  0.000000       0.000000 
1 1 1 5   0  55 o 66.596   25.715  53.707     28.375  53.707     28.375  53.707     28.375  66.596  25.715  66.596  25.715  0.000000       0.000000 
1 1 1 5   0  56 o 187.351  15.643  316.025    50.351  316.025    50.351  316.025    50.351  187.351 15.643  187.351 15.643  0.000000       0.000000 
1 1 1 5   0  57 o 110.325  19.184  117.084    33.607  117.084    33.607  117.084    33.607  110.325 19.184  110.325 19.184  0.000000       0.000000 
1 1 1 5   0  58 o 20.890   14.497  -15.6377   18.460  -15.6377   18.460  -15.6377   18.460  20.890  14.497  20.890  14.497  0.000000       0.000000 
1 1 1 5   0  59 o 45.337   25.392  25.795     30.201  25.795     30.201  25.795     30.201  45.337  25.392  45.337  25.392  0.000000       0.000000 
1 1 1 5   0  60 o 19.790   14.009  -24.7337   19.961  -24.7337   19.961  -24.7337   19.961  19.790  14.009  19.790  14.009  0.000000       0.000000 
1 1 1 5   0  61 o 36.422   22.417  10.709     27.726  10.709     27.726  10.709     27.726  36.422  22.417  36.422  22.417  0.000000       0.000000 
1 1 1 5   0  62 o 51.734   24.855  36.261     25.940  36.261     25.940  36.261     25.940  51.734  24.855  51.734  24.855  0.000000       0.000000 
1 1 1 5   0  63 o 30.051   19.474  0.5024     24.205  0.5024     24.205  0.5024     24.205  30.051  19.474  30.051  19.474  0.000000       0.000000 
1 1 1 5   0  64 o 23.392   16.014  -12.1571   20.761  -12.1571   20.761  -12.1571   20.761  23.392  16.014  23.392  16.014  0.000000       0.000000 
1 1 1 5   0  65 o 136.819  33.975  211.682    70.242  211.682    70.242  211.682    70.242  136.819 33.975  136.819 33.975  0.000000       0.000000 
1 1 1 5   0  66 o 35.697   24.181  -13.6222   44.774  -13.6222   44.774  -13.6222   44.774  35.697  24.181  35.697  24.181  0.000000       0.000000 
1 1 1 5   0  67 o 29.045   20.466  -39.1764   41.033  -39.1764   41.033  -39.1764   41.033  29.045  20.466  29.045  20.466  0.000000       0.000000 
1 1 1 5   0  68 o 39.645   23.931  18.616     30.286  18.616     30.286  18.616     30.286  39.645  23.931  39.645  23.931  0.000000       0.000000 
1 1 1 5   0  69 o 56.596   28.798  49.575     35.706  49.575     35.706  49.575     35.706  56.596  28.798  56.596  28.798  0.000000       0.000000 
1 1 1 5   0  70 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 5   0  71 o 104.449  41.514  175.855    73.103  175.855    73.103  175.855    73.103  104.449 41.514  104.449 41.514  0.000000       0.000000 
1 1 1 5   0  72 o 34.467   23.774  -16.0849   47.801  -16.0849   47.801  -16.0849   47.801  34.467  23.774  34.467  23.774  0.000000       0.000000 
1 1 1 5   0  73 o 39.866   23.190  23.866     26.588  23.866     26.588  23.866     26.588  39.866  23.190  39.866  23.190  0.000000       0.000000 
1 1 1 5   0  74 o 24.845   17.127  -11.9599   24.719  -11.9599   24.719  -11.9599   24.719  24.845  17.127  24.845  17.127  0.000000       0.000000 
1 1 1 5   1  0  o 649.451  22.134  3701.08    251.001 3996.26    434.776 3553.52    307.401 670.757 37.269  635.463 27.705  35.29413       46.43876 
1 1 1 5   1  1  o 464.416  17.061  1888.73    138.351 2043.57    239.668 1811.35    169.431 480.910 28.672  454.411 21.354  26.49890       35.75043 
1 1 1 5   1  2  o 238.061  12.457  496.947    51.601  453.345    89.384  518.741    63.194  226.097 22.960  243.011 14.966  -16.91360      27.40700 
1 1 1 5   1  3  o 860.839  24.304  6510.97    365.310 6334.59    516.622 6687.37    516.632 846.227 34.964  869.775 34.018  -23.54767      48.78252 
1 1 1 5   1  4  o 361.122  12.788  1140.58    80.635  1011.87    114.025 1269.33    114.045 339.199 19.332  380.685 17.157  -41.48563      25.84788 
1 1 1 5   1  5  o 377.352  13.183  1245.61    86.862  1268.15    122.839 1223.07    122.844 380.389 18.495  373.059 18.921  7.329651       26.45841 
1 1 1 5   1  6  o 385.018  13.294  1296.85    89.373  1425.08    126.408 1168.67    126.379 403.264 17.952  364.491 19.933  38.77283       26.82556 
1 1 1 5   1  7  o 324.201  11.969  919.206    67.754  1080.19    95.833  758.326    95.803  351.232 15.626  293.503 18.793  57.72894       24.44088 
1 1 1 5   1  8  o 283.975  11.466  705.199    56.854  703.767    80.393  706.631    80.415  282.979 16.340  283.559 16.310  -0.5802917     23.08740 
1 1 1 5   1  9  o 853.114  24.119  6402.45    359.270 6414.30    508.082 6390.60    508.088 850.653 34.207  849.055 34.272  1.597656       48.42226 
1 1 1 5   1  10 o 603.509  20.888  3199.00    220.111 3321.83    381.239 3137.58    269.582 610.411 35.928  596.732 25.873  13.67938       44.27444 
1 1 1 5   1  11 o 199.458  11.731  349.222    40.675  292.046    70.424  377.842    49.826  180.816 22.814  207.288 13.846  -26.47194      26.68659 
1 1 1 5   1  12 o 642.936  21.819  3635.48    244.945 3255.37    424.218 3825.59    300.009 601.727 40.614  658.495 26.093  -56.76807      48.27349 
1 1 1 5   1  13 o 274.288  16.189  661.974    77.190  702.546    109.139 621.367    109.186 281.630 22.379  264.472 23.903  17.15814       32.74348 
1 1 1 5   1  14 o 289.424  16.212  737.032    81.597  621.510    115.342 852.767    115.449 264.128 25.320  310.538 21.423  -46.40976      33.16690 
1 1 1 5   1  15 o 475.145  17.482  1982.62    145.036 2151.91    177.644 1644.21    251.173 494.456 20.576  428.004 33.887  66.45181       39.64426 
1 1 1 5   1  16 o 92.577   9.1411  75.681     14.583  50.812     20.517  101.075    20.733  74.659  16.204  106.867 11.281  -32.20871      19.74430 
1 1 1 5   1  17 o 163.130  9.8494  233.673    27.923  245.917    39.469  221.404    39.509  166.936 13.660  158.231 14.460  8.705704       19.89231 
1 1 1 5   1  18 f 131.804  9.6291  152.810    22.007  160.743    31.086  144.840    31.159  134.746 13.390  127.717 14.213  7.028214       19.52730 
1 1 1 5   1  19 o 244.857  12.450  526.872    53.052  459.537    91.830  560.604    64.996  226.637 23.549  252.258 14.821  -25.62059      27.82543 
1 1 1 5   1  20 o 183.275  11.619  295.517    36.990  235.103    64.050  325.750    45.310  161.278 23.430  192.199 13.589  -30.92125      27.08579 
1 1 1 5   1  21 o 427.392  14.176  1604.16    105.787 1573.06    149.588 1635.28    149.624 421.925 20.305  430.286 19.915  -8.361298      28.44104 
1 1 1 5   1  22 o 427.806  19.115  1616.03    142.785 1319.37    201.667 1914.24    202.191 382.140 30.477  463.084 25.099  -80.94440      39.48224 
1 1 1 5   1  23 o 302.575  17.041  809.346    89.665  815.948    126.672 802.717    126.938 301.914 24.233  299.362 24.499  2.552368       34.45960 
1 1 1 5   1  24 o 685.715  19.860  4159.67    237.787 4111.62    336.261 4207.73    336.303 677.089 28.443  685.167 28.111  -8.078186      39.98987 
1 1 1 5   1  25 o 91.369   13.601  74.920     21.037  91.559     29.880  58.565     29.624  100.437 17.684  79.863  20.974  20.57435       27.43437 
1 1 1 5   1  26 o 175.438  14.220  272.297    43.185  286.693    61.129  257.953    61.017  178.954 19.900  169.368 21.090  9.585220       28.99641 
1 1 1 5   1  27 o 148.988  13.910  196.691    35.767  208.058    50.630  185.366    50.534  152.231 19.495  143.269 20.809  8.961868       28.51485 
1 1 1 5   1  28 o 353.574  14.703  1098.95    90.770  1066.77    111.187 1163.25    157.171 347.215 18.405  360.589 25.120  -13.37415      31.14116 
1 1 1 5   1  29 o 639.720  21.383  3622.62    238.853 3730.43    413.630 3568.68    292.561 639.377 37.211  632.622 26.486  6.754883       45.67453 
1 1 1 5   1  30 o 314.161  13.157  865.946    72.170  737.238    124.176 931.598    88.687  286.994 25.031  325.526 15.603  -38.53241      29.49553 
1 1 1 5   1  31 o 204.875  14.280  370.197    50.764  290.412    70.532  455.943    73.120  179.722 23.004  226.737 18.634  -47.01486      29.60453 
1 1 1 5   1  32 o 125.310  9.8368  138.265    21.350  148.810    29.268  126.272    31.213  129.623 13.112  118.938 15.391  10.68507       20.21861 
1 1 1 5   1  33 o 132.469  10.965  154.696    25.134  124.469    29.309  238.701    48.860  118.227 14.502  163.855 17.341  -45.62821      22.60619 
1 1 1 5   1  34 o 340.536  14.045  1017.21    83.513  953.890    101.865 1147.01    145.849 328.827 17.808  359.388 23.369  -30.56155      29.38098 
1 1 1 5   1  35 o 336.576  12.366  992.613    72.674  944.368    102.315 1041.74    103.244 327.151 17.980  344.224 17.178  -17.07272      24.86689 
1 1 1 5   1  36 o 146.631  12.101  189.635    30.706  177.672    36.222  220.188    57.889  141.516 14.882  156.480 21.778  -14.96410      26.37690 
1 1 1 5   1  37 o 762.049  30.883  5186.85    410.932 4764.42    580.834 5610.19    581.457 718.890 46.522  783.556 42.660  -64.66638      63.12075 
1 1 1 5   1  38 o 318.910  15.639  893.280    87.085  611.326    121.538 1190.77    124.842 260.941 27.069  367.079 19.548  -106.1378      33.38948 
1 1 1 5   1  39 o 173.894  14.561  267.254    43.805  206.389    58.605  344.307    65.940  151.106 22.933  196.711 19.453  -45.60559      30.07181 
1 1 1 5   1  40 o 123.327  12.604  134.715    26.759  91.281     42.893  162.393    34.239  99.521  24.779  135.210 14.742  -35.68929      28.83252 
1 1 1 5   1  41 o 464.691  14.772  1896.44    119.857 1779.58    169.159 2014.27    169.850 448.638 21.594  477.637 20.366  -28.99887      29.68303 
1 1 1 5   1  42 o 886.697  24.895  6984.75    385.432 6662.82    544.954 7306.98    545.214 857.643 36.391  899.616 34.709  -41.97314      50.28941 
1 1 1 5   1  43 o 243.912  10.255  521.015    43.673  361.784    60.451  694.852    63.163  201.951 17.311  281.429 12.854  -79.47858      21.56117 
1 1 1 5   1  44 o 678.246  19.578  4063.94    231.853 3896.04    327.644 4232.35    328.137 659.791 28.440  688.341 27.302  -28.55048      39.42365 
1 1 1 5   1  45 o 517.648  16.029  2359.05    144.876 2216.78    204.527 2502.32    205.247 499.427 23.454  531.134 22.131  -31.70660      32.24730 
1 1 1 5   1  46 o 147.133  11.141  190.880    28.408  173.449    38.436  211.867    42.175  139.429 16.083  154.315 15.879  -14.88603      22.60075 
1 1 1 5   1  47 o 382.907  15.911  1291.97    106.381 1374.31    183.678 1250.41    130.497 390.647 27.096  375.188 19.992  15.45920       33.67292 
1 1 1 5   1  48 o 176.743  17.059  278.317    51.991  304.919    74.341  252.851    72.738  183.429 23.770  166.181 25.913  17.24777       35.16420 
1 1 1 5   1  49 o 239.101  17.175  507.865    71.225  493.464    100.626 522.323    100.828 233.411 25.084  240.451 24.351  -7.039413      34.95971 
1 1 1 5   1  50 o 281.844  18.248  706.930    89.322  611.237    126.147 803.151    126.495 258.458 28.422  298.291 24.503  -39.83273      37.52651 
1 1 1 5   1  51 o 268.488  13.757  636.937    64.276  563.975    78.851  781.436    110.967 251.489 18.077  294.967 21.698  -43.47850      28.24148 
1 1 1 5   1  52 o 103.732  14.830  96.933     26.097  84.806     35.129  111.867    38.984  95.522  21.572  110.134 21.039  -14.61185      30.13314 
1 1 1 5   1  53 o 203.801  13.739  368.424    48.607  390.253    82.868  356.974    60.015  206.808 23.358  199.649 17.389  7.159088       29.12035 
1 1 1 5   1  54 o 101.545  17.955  94.568     30.671  161.200    51.465  57.869     38.194  131.719 23.226  79.709  24.801  52.00937       33.97832 
1 1 1 5   1  55 o 285.387  11.701  718.656    58.305  675.033    81.290  764.873    83.673  274.473 17.046  292.480 16.451  -18.00735      23.68976 
1 1 1 5   1  56 o 56.945   17.658  29.075     19.380  27.705     24.831  31.210     31.000  57.912  20.097  62.549  22.390  -4.636978      30.08650 
1 1 1 5   1  57 o 123.485  14.538  137.722    30.746  131.872    35.611  154.852    60.936  119.906 17.526  125.956 28.387  -6.049423      33.36136 
1 1 1 5   1  58 o 175.291  12.982  274.883    39.451  292.386    47.824  237.606    69.792  179.964 15.367  157.143 26.370  22.82062       30.52091 
1 1 1 5   1  59 f 47.793   17.797  16.499     19.875  15.898     23.462  18.026     37.400  49.652  19.141  58.707  23.677  -9.055485      30.44650 
1 1 1 5   1  60 o 184.484  23.298  324.834    73.375  324.834    73.375  0.0000     0.0000  184.484 23.298  ?       ?       0.000000       23.29796 
1 1 1 5   1  61 f 65.928   21.523  40.323     28.488  37.861     34.308  45.789     51.123  65.983  23.561  74.478  28.365  -8.494667      36.87449 
1 1 1 5   1  62 o 116.798  18.243  129.035    35.988  65.168     45.128  240.597    59.644  81.198  27.116  157.600 22.297  -76.40163      35.10624 
1 1 1 5   1  63 o 70.216   19.118  48.003     24.071  -10.4979   34.723  102.123    33.398  45.891  20.651  102.768 19.322  -56.87724      28.28028 
1 1 1 5   1  64 o 30.646   14.239  -14.3868   18.350  -27.5891   24.544  2.3461     27.632  32.870  15.636  45.056  19.399  -12.18602      24.91607 
1 1 1 5   1  65 o 44.169   17.778  10.875     21.038  11.237     29.202  10.484     30.334  49.474  20.544  49.810  20.832  -0.3357773     29.25831 
1 1 1 5   1  66 o 106.833  14.043  107.058    25.561  117.408    33.689  93.016     39.240  109.504 18.263  93.700  23.906  15.80354       30.08410 
1 1 1 5   1  67 f 108.648  14.191  111.510    26.279  107.640    35.197  116.385    39.501  102.861 20.318  105.718 22.110  -2.856644      30.02795 
1 1 1 5   1  68 o 41.339   16.614  10.248     18.345  13.252     22.065  3.5241     33.012  45.361  18.225  47.614  20.842  -2.252613      27.68628 
1 1 1 5   1  69 o 98.977   18.657  99.751     31.061  141.370    51.496  75.950     38.942  110.088 26.996  81.562  24.988  28.52663       36.78557 
1 1 1 5   1  70 o 145.977  19.491  219.698    48.439  199.382    66.149  243.188    71.128  125.389 30.505  140.013 29.997  -14.62421      42.78288 
1 1 1 5   1  71 o 91.114   23.970  96.266     38.648  72.767     50.723  128.790    59.673  75.536  28.371  96.311  31.130  -20.77417      42.11899 
1 1 1 5   1  72 o 37.969   17.688  -14.4311   28.611  51.445     39.673  -85.8240   41.300  66.147  25.037  33.931  16.949  32.21511       30.23416 
1 1 1 5   1  73 o 85.308   18.794  78.766     27.239  78.341     33.067  79.663     48.042  81.412  22.508  75.915  27.775  5.497292       35.75034 
1 1 1 5   1  74 o 74.262   21.813  66.104     30.147  70.286     39.276  60.107     47.033  72.701  25.273  66.632  26.665  6.068764       36.73887 
1 1 1 5   2  0  o 432.308  16.362  1636.76    123.506 1850.72    213.993 1529.89    151.237 457.706 26.894  417.559 20.743  40.14755       33.96466 
1 1 1 5   2  1  o 442.287  16.748  1713.52    129.341 1755.09    224.071 1692.75    158.393 445.230 28.981  439.218 20.653  6.011902       35.58733 
1 1 1 5   2  2  o 668.558  22.735  3926.61    265.402 3874.66    459.712 3952.58    325.042 658.645 40.165  669.737 27.795  -11.09186      48.84509 
1 1 1 5   2  3  o 641.242  21.652  3610.64    242.428 3460.00    419.905 3685.96    296.909 622.631 38.817  647.015 26.281  -24.38416      46.87735 
1 1 1 5   2  4  o 528.398  16.491  2445.92    152.149 2512.03    215.171 2379.82    215.171 534.620 23.050  520.264 23.686  14.35571       33.05080 
1 1 1 5   2  5  o 199.478  9.5107  347.803    33.126  321.710    46.851  373.889    46.844  191.195 14.134  206.305 13.072  -15.10942      19.25204 
1 1 1 5   2  6  o 441.202  16.669  1705.80    128.417 1548.05    222.384 1784.72    157.292 417.360 30.732  450.927 19.977  -33.56699      36.65477 
1 1 1 5   2  7  o 518.200  18.622  2355.74    168.492 2613.38    291.843 2226.93    206.358 542.658 30.929  503.116 23.490  39.54202       38.83792 
1 1 1 5   2  8  o 541.678  19.249  2575.41    182.061 2877.80    315.352 2424.24    222.974 569.101 31.863  524.700 24.338  44.40106       40.09498 
1 1 1 5   2  9  o 267.131  12.946  624.580    60.384  649.901    104.554 611.906    73.968  270.920 22.300  263.733 16.140  7.186768       27.52839 
1 1 1 5   2  10 o 287.831  13.200  725.322    66.341  628.133    114.846 773.994    81.273  265.743 25.046  296.743 15.742  -30.99963      29.58261 
1 1 1 5   2  11 o 380.425  15.281  1268.59    101.506 1261.72    175.804 1272.03    124.322 376.885 26.892  380.557 18.710  -3.671814      32.75982 
1 1 1 5   2  12 o 518.233  18.389  2359.14    166.394 2209.11    203.773 2659.34    288.251 500.553 23.315  546.548 30.324  -45.99503      38.25094 
1 1 1 5   2  13 o 68.409   10.782  41.943     12.452  32.887     15.126  60.989     21.935  60.059  14.572  81.999  15.894  -21.94033      21.56288 
1 1 1 5   2  14 o 104.289  11.065  96.259     19.841  102.444    24.219  83.637     34.597  107.331 13.201  95.582  21.277  11.74886       25.04000 
1 1 1 5   2  15 o 75.119   10.623  50.360     13.544  34.274     16.441  84.338     23.894  61.308  15.383  97.001  14.557  -35.69357      21.17904 
1 1 1 5   2  16 o 124.824  9.5374  137.113    20.630  131.969    29.152  142.273    29.198  121.884 13.949  126.690 13.403  -4.805954      19.34460 
1 1 1 5   2  17 o 276.554  11.323  669.887    54.679  635.424    77.296  704.406    77.359  268.349 16.578  282.735 15.732  -14.38583      22.85456 
1 1 1 5   2  18 o 259.762  12.756  591.687    57.857  574.878    100.180 600.100    70.871  253.837 22.848  260.857 15.632  -7.019745      27.68339 
1 1 1 5   2  19 o 194.832  11.770  333.918    39.854  304.131    68.982  348.841    48.828  184.143 21.883  198.828 14.157  -14.68533      26.06302 
1 1 1 5   2  20 o 240.958  10.778  508.679    45.345  517.563    64.144  499.805    64.111  242.158 15.248  237.904 15.519  4.254211       21.75615 
1 1 1 5   2  21 o 344.004  14.333  1039.92    86.091  888.118    148.907 1116.14    105.513 314.088 27.427  355.920 16.978  -41.83255      32.25684 
1 1 1 5   2  22 o 271.396  13.002  646.652    61.616  696.106    106.809 621.985    75.433  279.289 22.082  265.246 16.367  14.04321       27.48673 
1 1 1 5   2  23 o 124.403  9.6235  136.343    20.741  145.345    29.160  127.124    29.508  127.975 13.241  119.394 14.449  8.580360       19.59834 
1 1 1 5   2  24 o 371.973  18.755  1225.53    121.420 1209.04    171.667 1242.04    171.761 366.659 27.004  371.802 26.634  -5.142365      37.92877 
1 1 1 5   2  25 o 196.854  14.581  342.589    49.761  331.339    70.290  353.893    70.457  192.214 21.302  198.889 20.586  -6.675400      29.62358 
1 1 1 5   2  26 f 113.820  19.915  117.797    38.138  117.797    38.138  0.0000     0.0000  113.820 19.915  ?       ?       0.000000       19.91538 
1 1 1 5   2  27 o 450.025  16.845  1784.08    132.361 1930.33    162.148 1492.02    229.143 467.287 19.873  405.395 32.648  61.89221       38.22118 
1 1 1 5   2  28 o 199.339  10.118  348.876    35.101  369.879    49.424  327.500    49.861  204.767 13.906  192.460 14.955  12.30695       20.42097 
1 1 1 5   2  29 o 568.241  16.997  2842.39    168.642 2786.66    238.468 2898.15    238.524 560.213 24.379  571.495 23.903  -11.28210      34.14228 
1 1 1 5   2  30 o 210.882  10.070  389.302    37.079  440.246    52.392  338.180    52.483  223.616 13.481  195.587 15.495  28.02916       20.53867 
1 1 1 5   2  31 o 165.914  11.357  242.229    32.703  240.747    39.767  245.324    57.483  165.076 13.927  165.569 20.309  -0.4926300     24.62572 
1 1 1 5   2  32 o 342.701  12.315  1029.16    73.689  1024.47    104.107 1033.86    104.318 340.825 17.554  342.397 17.507  -1.571899      24.79188 
1 1 1 5   2  33 o 112.586  12.247  112.363    23.687  117.085    27.513  98.836     46.565  114.692 14.031  103.565 25.836  11.12711       29.39982 
1 1 1 5   2  34 o 378.329  12.917  1254.60    85.326  1180.06    120.201 1330.31    121.142 365.613 18.893  388.875 17.841  -23.26172      25.98597 
1 1 1 5   2  35 o 616.099  20.916  3348.59    225.008 3098.06    275.391 3851.68    390.255 590.679 26.701  654.248 34.281  -63.56915      43.45315 
1 1 1 5   2  36 o 285.352  12.842  713.719    63.985  615.843    77.933  916.161    112.081 264.136 16.988  321.773 20.048  -57.63730      26.27789 
1 1 1 5   2  37 o 216.152  15.280  412.267    57.298  377.042    79.496  450.351    82.659  205.343 22.543  224.890 21.304  -19.54692      31.01707 
1 1 1 5   2  38 o 307.827  16.494  835.336    88.332  681.153    123.819 995.130    126.052 275.794 26.020  334.944 21.669  -59.15051      33.86131 
1 1 1 5   2  39 o 709.113  23.844  4455.73    295.232 4193.50    510.935 4587.18    361.733 675.188 43.571  717.023 28.893  -41.83502      52.28074 
1 1 1 5   2  40 o 473.794  17.072  1975.35    141.232 1613.20    243.454 2159.04    173.390 422.348 33.283  494.589 20.078  -72.24066      38.86969 
1 1 1 5   2  41 o 346.008  12.592  1049.90    76.078  973.881    106.857 1128.04    108.339 331.887 18.513  357.940 17.335  -26.05270      25.36202 
1 1 1 5   2  42 o 478.141  17.496  2013.92    146.072 1735.43    251.945 2154.94    179.279 437.654 33.217  493.687 20.798  -56.03256      39.19089 
1 1 1 5   2  43 o 552.752  16.765  2690.56    161.805 2515.77    228.247 2867.13    229.411 531.875 24.577  568.404 23.115  -36.52948      33.73933 
1 1 1 5   2  44 o 291.761  11.075  746.122    56.421  631.027    78.336  870.184    81.331  267.099 16.884  314.595 14.806  -47.49622      22.45619 
1 1 1 5   2  45 o 354.001  12.347  1099.77    76.320  954.086    106.890 1251.28    109.006 328.100 18.736  376.817 16.568  -48.71786      25.01032 
1 1 1 5   2  46 o 362.819  15.449  1159.22    97.874  1129.19    167.846 1174.69    120.476 353.880 27.377  363.950 19.024  -10.07001      33.33799 
1 1 1 5   2  47 o 420.952  16.763  1563.89    123.212 1534.01    211.679 1579.20    151.525 411.250 29.678  421.858 20.571  -10.60843      36.11042 
1 1 1 5   2  48 o 284.694  14.701  715.822    72.830  727.426    122.489 709.476    90.580  283.985 24.956  282.493 18.465  1.492004       31.04442 
1 1 1 5   2  49 o 148.835  15.951  197.761    40.808  236.351    47.007  79.718     82.215  162.676 16.791  100.106 36.379  62.57018       40.06668 
1 1 1 5   2  50 o 395.042  15.744  1378.96    108.595 1215.30    131.310 1733.14    193.165 368.804 20.472  438.050 25.363  -69.24606      32.59416 
1 1 1 5   2  51 o 434.446  16.621  1672.21    126.080 1553.14    153.313 1920.98    221.601 416.314 21.161  458.934 27.785  -42.61996      34.92534 
1 1 1 5   2  52 o 217.067  13.488  417.347    50.869  390.296    60.563  482.143    93.733  209.071 16.730  230.118 23.665  -21.04721      28.98199 
1 1 1 5   2  53 o 28.332   13.382  -19.7137   17.371  -11.3618   20.517  -40.8578   32.645  34.683  15.716  37.776  17.988  -3.092636      23.88585 
1 1 1 5   2  54 o 115.286  15.431  120.066    30.284  116.550    34.867  130.863    61.104  112.799 18.333  116.448 29.898  -3.649361      35.07144 
1 1 1 5   2  55 o 168.342  13.409  252.689    39.088  214.760    46.024  350.858    74.043  153.968 17.426  195.386 22.092  -41.41759      28.13740 
1 1 1 5   2  56 o 198.450  12.984  350.836    44.743  316.203    53.283  433.653    82.396  187.210 16.468  216.870 22.067  -29.65950      27.53411 
1 1 1 5   2  57 o 270.397  16.688  660.077    78.405  660.077    78.405  0.0000     0.0000  270.397 16.688  ?       ?       0.000000       16.68814 
1 1 1 5   2  58 o 191.850  16.595  334.584    55.043  308.158    73.718  367.880    82.747  180.259 24.019  196.785 24.621  -16.52608      34.39682 
1 1 1 5   2  59 o 88.095   21.150  74.680     32.121  46.743     39.550  128.822    55.059  72.470  25.351  113.291 27.995  -40.82076      37.76793 
1 1 1 5   2  60 o 297.079  13.954  794.518    72.383  589.374    120.943 909.009    90.352  242.863 29.100  315.536 16.456  -72.67369      33.43084 
1 1 1 5   2  61 o 209.019  13.648  395.783    49.535  331.140    80.509  435.161    62.837  182.776 25.956  217.299 16.689  -34.52322      30.85827 
1 1 1 5   2  62 o 108.553  16.514  110.612    30.314  68.729     45.034  145.311    40.991  82.552  27.066  123.026 19.750  -40.47354      33.50599 
1 1 1 5   2  63 o 186.337  13.571  317.418    43.852  226.174    70.330  375.454    56.090  146.387 28.541  200.922 16.124  -54.53468      32.78034 
1 1 1 5   2  64 o 56.360   18.481  29.763     20.995  33.696     25.823  22.095     36.060  60.043  20.510  57.715  23.259  2.328182       31.01053 
1 1 1 5   2  65 f 89.648   15.688  76.875     23.663  73.378     30.376  82.272     37.738  85.067  20.657  88.377  23.886  -3.310051      31.57952 
1 1 1 5   2  66 o 33.948   15.079  -3.8923    17.882  -5.6132    21.823  -0.3756    31.196  36.858  16.495  45.705  20.127  -8.847473      26.02260 
1 1 1 5   2  67 o 53.573   20.276  24.627     26.018  22.824     40.665  25.877     33.854  58.184  24.209  56.975  22.682  1.209557       33.17423 
1 1 1 5   2  68 o 97.960   19.583  98.607     32.325  105.195    50.959  94.171     41.815  93.230  28.588  91.017  25.364  2.212593       38.21810 
1 1 1 5   2  69 o 57.519   20.749  32.735     26.673  -34.3700   41.814  78.774     34.634  42.533  20.282  84.200  22.936  -41.66644      30.61709 
1 1 1 5   2  70 o 62.580   18.552  41.028     21.722  52.684     27.427  21.412     35.578  69.498  20.902  54.073  22.584  15.42479       30.77199 
1 1 1 5   2  71 o 77.739   19.653  65.425     26.691  80.300     31.458  27.189     50.435  85.000  21.252  59.350  25.876  25.64973       33.48471 
1 1 1 5   2  72 f 67.102   23.265  53.258     33.273  45.728     45.472  61.936     48.814  63.406  25.910  69.379  27.357  -5.973011      37.67911 
1 1 1 5   2  73 o 99.410   16.624  102.602    27.836  98.368     32.374  114.612    54.522  93.587  20.388  87.362  29.802  6.224625       36.10885 
1 1 1 5   3  0  o 350.079  18.128  1078.10    110.431 0.0000     0.0000  1078.10    110.431 ?       ?       350.079 18.128  0.000000       18.12807 
1 1 1 5   3  1  o 364.328  18.385  1167.74    116.576 0.0000     0.0000  1167.74    116.576 ?       ?       364.328 18.385  0.000000       18.38481 
1 1 1 5   3  2  o 344.255  17.643  1042.35    105.697 0.0000     0.0000  1042.35    105.697 ?       ?       344.255 17.643  0.000000       17.64338 
1 1 1 5   3  3  o 303.319  13.505  805.549    71.523  1056.87    123.902 679.949    87.590  346.165 20.592  277.763 18.160  68.40201       27.45562 
1 1 1 5   3  4  o 613.781  21.380  3313.64    229.128 3419.08    396.837 3260.90    280.631 617.889 36.952  607.679 26.448  10.20953       45.44167 
1 1 1 5   3  5  o 295.687  13.228  765.575    68.297  659.368    118.222 818.776    83.672  272.236 25.155  305.197 15.755  -32.96097      29.68185 
1 1 1 5   3  6  o 773.078  25.669  5277.77    346.494 5122.86    600.111 5355.24    424.379 751.018 45.985  776.584 31.297  -25.56647      55.62479 
1 1 1 5   3  7  o 161.403  8.9257  228.457    25.057  245.354    35.427  211.545    35.444  166.969 12.237  154.856 13.236  12.11342       18.02563 
1 1 1 5   3  8  o 666.960  19.644  3911.94    228.766 3774.94    323.513 4048.96    323.535 652.606 28.391  676.225 27.401  -23.61877      39.45700 
1 1 1 5   3  9  o 190.415  9.7603  317.971    32.342  343.000    45.746  292.959    45.731  197.417 13.350  182.236 14.492  15.18102       19.70316 
1 1 1 5   3  10 o 280.461  13.154  689.183    64.414  690.956    111.534 688.295    78.903  278.859 23.115  279.556 16.234  -0.6971130     28.24635 
1 1 1 5   3  11 o 561.057  19.891  2771.77    194.857 2790.22    238.640 2734.85    337.532 561.737 24.330  551.282 35.250  10.45557       42.83123 
1 1 1 5   3  12 o 291.838  16.530  750.575    83.886  750.575    83.886  0.0000     0.0000  291.838 16.530  ?       ?       0.000000       16.52989 
1 1 1 5   3  13 o 299.010  13.210  783.866    68.970  710.442    84.434  931.105    119.566 283.749 17.122  324.129 21.244  -40.38016      27.28506 
1 1 1 5   3  14 o 123.592  13.680  135.614    29.025  143.019    41.144  128.277    40.954  125.975 19.321  118.947 20.456  7.028038       28.13837 
1 1 1 5   3  15 o 258.717  10.905  586.253    49.264  552.669    69.656  619.864    69.685  250.228 16.027  265.214 15.110  -14.98605      22.02692 
1 1 1 5   3  16 o 144.171  9.5087  182.719    23.802  147.261    33.633  218.297    33.690  128.560 15.282  157.304 12.365  -28.74452      19.65837 
1 1 1 5   3  17 o 453.416  17.134  1810.67    135.649 1889.38    234.967 1771.32    166.129 458.370 29.515  447.407 21.266  10.96320       36.37815 
1 1 1 5   3  18 o 518.209  18.808  2370.56    170.182 2389.69    294.772 2361.00    208.427 513.477 33.053  515.704 23.147  -2.227539      40.35226 
1 1 1 5   3  19 f 108.381  10.704  103.927    19.991  113.679    34.087  98.815     24.682  112.153 18.017  105.183 13.769  6.969490       22.67585 
1 1 1 5   3  20 o 400.497  13.412  1408.83    93.791  1287.55    132.559 1530.41    132.722 380.965 19.998  416.351 18.257  -35.38586      27.07802 
1 1 1 5   3  21 o 327.154  11.661  938.776    66.610  900.936    94.067  976.832    94.335  319.235 16.936  332.996 16.224  -13.76047      23.45366 
1 1 1 5   3  22 o 330.864  14.146  962.315    81.723  984.797    100.129 917.455    141.439 333.721 17.243  319.642 25.556  14.07858       30.82850 
1 1 1 5   3  23 o 50.363   12.829  23.122     11.313  49.354     16.528  0.0000     15.517  73.855  13.306  34.535  14.694  39.31939       19.82347 
1 1 1 5   3  24 o 101.749  13.329  92.439     23.111  116.578    32.964  69.102     32.411  113.779 17.123  86.626  21.523  27.15296       27.50381 
1 1 1 5   3  25 o 294.527  16.681  766.460    85.430  788.114    120.862 744.839    120.771 296.957 23.502  288.434 24.204  8.522644       33.73656 
1 1 1 5   3  26 o 309.939  13.791  843.564    74.633  849.934    91.437  830.849    129.184 310.198 16.946  304.768 24.483  5.429657       29.77520 
1 1 1 5   3  27 o 397.636  13.292  1387.51    92.284  1406.74    130.422 1368.23    130.598 399.379 18.703  393.813 18.993  5.565948       26.65527 
1 1 1 5   3  28 o 471.444  14.939  1952.21    122.974 1895.40    173.833 2009.12    173.991 463.038 21.501  476.892 20.895  -13.85400      29.98139 
1 1 1 5   3  29 o 564.857  17.049  2806.41    168.146 2828.73    237.766 2784.08    237.824 565.004 24.101  560.459 24.302  4.545776       34.22669 
1 1 1 5   3  30 o 247.744  12.843  539.480    55.364  530.432    67.485  558.105    96.825  245.220 15.846  250.314 22.390  -5.094315      27.42977 
1 1 1 5   3  31 o 604.890  17.846  3219.27    188.488 3217.43    266.530 3221.11    266.596 602.354 25.341  602.701 25.333  -0.3470459     35.83228 
1 1 1 5   3  32 o 408.010  12.439  1458.80    88.619  1179.23    124.559 1745.35    126.106 365.319 19.599  445.708 16.204  -80.38931      25.42997 
1 1 1 5   3  33 o 740.666  20.275  4836.85    262.204 4212.05    370.547 5463.45    371.080 686.728 30.903  784.157 27.102  -97.42944      41.10343 
1 1 1 5   3  34 o 488.480  17.594  2098.82    150.061 2121.01    183.786 2054.45    259.914 490.162 21.474  478.505 31.281  11.65634       37.94216 
1 1 1 5   3  35 o 695.690  23.596  4283.41    286.629 4383.51    351.024 4083.11    496.524 701.519 28.657  667.761 42.810  33.75708       51.51675 
1 1 1 5   3  36 o 304.121  16.756  815.615    88.636  709.043    124.937 923.610    125.769 281.532 25.699  322.451 22.479  -40.91934      34.14274 
1 1 1 5   3  37 o 380.446  15.006  1271.03    99.684  1107.46    171.548 1354.43    122.486 351.487 28.189  392.249 17.884  -40.76202      33.38358 
1 1 1 5   3  38 o 124.005  12.396  136.133    26.481  103.671    42.602  156.572    33.805  106.150 23.596  132.714 14.842  -26.56411      27.87628 
1 1 1 5   3  39 o 296.181  13.401  769.679    69.305  647.375    118.332 833.536    85.504  268.742 25.524  307.494 15.980  -38.75232      30.11389 
1 1 1 5   3  40 o 372.615  12.961  1218.02    84.323  1167.70    118.852 1269.01    119.654 363.401 18.795  379.473 18.059  -16.07242      26.06475 
1 1 1 5   3  41 o 153.214  10.412  206.552    27.689  199.168    38.149  214.772    40.252  149.836 14.774  155.614 15.000  -5.777237      21.05382 
1 1 1 5   3  42 o 125.498  10.730  139.000    23.287  129.815    31.873  149.516    34.106  120.514 15.507  129.494 15.385  -8.979317      21.84415 
1 1 1 5   3  43 o 371.220  13.089  1209.90    84.838  1189.62    119.588 1230.45    120.373 366.548 18.748  373.317 18.467  -6.769470      26.31532 
1 1 1 5   3  44 o 102.522  11.975  93.460     21.033  47.607     27.532  157.732    32.596  72.431  20.722  133.201 14.236  -60.76982      25.14106 
1 1 1 5   3  45 o 656.755  22.697  3837.59    260.281 3735.53    450.145 3888.86    319.017 633.682 40.902  658.073 27.764  -24.39087      49.43470 
1 1 1 5   3  46 o 346.589  15.153  1058.26    91.699  1005.96    156.317 1085.70    113.228 333.645 27.066  349.782 18.606  -16.13730      32.84418 
1 1 1 5   3  47 o 173.202  14.649  266.118    43.886  247.247    70.675  277.962    55.989  164.271 25.464  176.241 18.469  -11.96918      31.45649 
1 1 1 5   3  48 o 140.664  13.222  175.623    32.093  84.015     40.433  331.604    52.760  95.032  24.278  193.171 15.780  -98.13924      28.95603 
1 1 1 5   3  49 o 365.508  14.685  1178.86    93.718  1028.39    112.399 1522.08    169.758 339.662 19.029  411.187 23.745  -71.52530      30.42911 
1 1 1 5   3  50 o 135.291  14.937  163.628    34.697  146.976    39.511  219.744    72.533  127.369 18.291  153.245 28.144  -25.87619      33.56581 
1 1 1 5   3  51 o 208.332  12.827  384.073    46.434  342.793    55.347  482.184    85.326  195.941 16.326  230.944 21.403  -35.00317      26.91874 
1 1 1 5   3  52 o 165.319  13.042  242.763    37.343  209.351    44.248  325.463    69.613  152.525 16.898  189.090 21.465  -36.56436      27.31822 
1 1 1 5   3  53 o 137.792  14.027  169.870    33.279  127.018    50.853  201.966    44.011  115.664 25.832  149.535 17.167  -33.87048      31.01672 
1 1 1 5   3  54 o 37.252   16.085  -1.6130    19.109  -12.1473   24.594  14.436     30.356  38.301  17.294  53.727  21.450  -15.42626      27.55313 
1 1 1 5   3  55 o 232.486  15.677  485.158    63.268  362.509    84.175  644.424    95.921  196.558 25.099  265.417 20.866  -68.85883      32.63969 
1 1 1 5   3  56 o 326.621  13.714  950.665    78.212  920.741    94.396  1016.19    139.688 319.304 16.992  329.771 24.433  -10.46695      29.76124 
1 1 1 5   3  57 o 201.452  12.802  362.937    44.796  335.301    52.512  436.789    85.844  192.418 15.768  215.558 23.172  -23.14084      28.02786 
1 1 1 5   3  58 o 94.424   17.380  83.412     27.599  71.966     31.010  127.025    60.531  86.564  20.780  111.542 30.296  -24.97752      36.73734 
1 1 1 5   3  59 o 136.884  12.415  168.872    29.350  149.560    38.260  196.488    45.753  126.682 17.787  145.149 18.471  -18.46653      25.64273 
1 1 1 5   3  60 o 168.772  11.949  256.260    34.984  242.341    46.443  274.519    53.191  161.867 16.671  171.584 18.023  -9.717438      24.55095 
1 1 1 5   3  61 o 129.646  15.132  155.327    33.610  122.590    49.914  182.482    45.460  109.083 26.474  138.379 19.343  -29.29613      32.78780 
1 1 1 5   3  62 o 118.775  15.541  131.763    31.457  123.898    47.395  137.956    42.056  109.631 25.276  118.528 21.094  -8.896393      32.92169 
1 1 1 5   3  63 o 51.036   18.931  21.062     22.446  23.776     30.446  17.831     33.221  56.077  21.752  54.627  22.214  1.450222       31.09033 
1 1 1 5   3  64 o 74.843   18.117  55.394     23.422  61.117     28.790  44.190     40.281  77.549  20.823  68.222  25.350  9.327415       32.80531 
1 1 1 5   3  65 o 44.833   17.419  14.227     19.549  18.333     23.755  5.6142     34.407  49.493  19.209  49.728  21.528  -0.2353783     28.85185 
1 1 1 5   3  66 o 75.036   21.040  58.868     28.680  37.160     45.896  72.775     36.735  65.056  26.232  81.662  24.105  -16.60587      35.62535 
1 1 1 5   3  67 o 147.740  16.168  211.754    41.027  276.317    66.699  172.457    52.036  159.117 24.817  125.372 24.649  33.74511       34.97815 
1 1 1 5   3  68 o 141.980  15.996  196.940    38.965  226.536    63.706  179.249    49.253  139.812 27.074  128.892 22.715  10.92036       35.34069 
1 1 1 5   3  69 o 66.784   19.237  47.295     23.653  49.968     29.707  42.666     39.096  67.397  21.977  63.679  24.663  3.717667       33.03451 
1 1 1 5   3  70 o 40.186   16.961  7.0330     20.400  13.224     25.308  -4.4514    34.470  45.965  19.110  44.518  20.249  1.447628       27.84230 
1 1 1 5   3  71 o 200.596  13.308  387.610    46.348  348.118    55.179  482.235    85.413  184.198 17.361  202.747 24.633  -18.54906      30.13640 
1 1 1 5   3  72 o 60.411   19.656  40.715     23.768  33.842     26.698  66.974     52.186  55.945  20.667  69.585  28.002  -13.63975      34.80338 
1 1 1 5   4  0  o 292.935  12.805  751.766    65.498  901.519    113.534 677.064    80.187  319.289 20.473  277.179 16.646  42.11047       26.38569 
1 1 1 5   4  1  o 368.027  15.150  1188.30    97.357  1123.28    168.645 1220.80    119.231 354.834 27.433  372.603 18.326  -17.76910      32.99131 
1 1 1 5   4  2  o 287.309  13.307  723.440    66.755  759.522    81.750  651.237    115.643 293.707 16.001  270.228 24.785  23.47827       29.50160 
1 1 1 5   4  3  o 310.917  13.488  847.371    73.222  780.244    89.654  981.849    126.896 297.463 17.336  332.877 21.956  -35.41409      27.97502 
1 1 1 5   4  4  o 901.074  29.728  7230.77    467.722 7215.05    572.823 7262.22    810.169 895.537 36.633  883.258 52.774  12.27936       64.24202 
1 1 1 5   4  5  o 500.552  15.749  2200.05    137.644 2238.23    194.659 2161.86    194.657 503.468 22.143  494.704 22.535  8.763702       31.59366 
1 1 1 5   4  6  o 149.735  9.2016  196.876    23.941  230.414    33.943  163.675    33.773  161.723 12.108  135.824 14.463  25.89894       18.86242 
1 1 1 5   4  7  o 141.162  9.4773  175.138    23.224  199.928    32.901  150.520    32.787  150.506 12.637  130.143 14.685  20.36240       19.37368 
1 1 1 5   4  8  o 355.417  14.641  1108.93    90.857  961.202    157.311 1182.87    111.298 327.467 27.774  366.663 17.384  -39.19611      32.76621 
1 1 1 5   4  9  o 135.055  8.7630  160.235    20.553  170.571    29.172  150.048    28.961  138.980 12.143  130.178 12.912  8.801743       17.72497 
1 1 1 5   4  10 o 359.779  14.853  1136.96    93.309  1104.58    114.270 1201.76    161.644 353.542 18.576  366.931 25.386  -13.38904      31.45636 
1 1 1 5   4  11 o 263.773  12.518  610.152    57.653  557.661    70.579  715.414    99.947  251.289 16.172  283.893 20.297  -32.60364      25.95149 
1 1 1 5   4  12 o 174.206  13.082  267.775    39.503  160.327    55.664  376.793    56.069  132.215 25.028  206.412 15.674  -74.19768      29.53135 
1 1 1 5   4  13 o 483.857  17.809  2063.92    150.460 1977.19    260.568 2107.30    184.288 467.517 32.115  487.792 21.637  -20.27441      38.72346 
1 1 1 5   4  14 o 322.789  13.781  915.155    77.669  874.634    134.453 935.449    95.151  312.524 24.844  325.450 16.802  -12.92584      29.99212 
1 1 1 5   4  15 o 170.297  9.4863  254.723    28.096  236.641    39.671  272.917    39.795  163.518 14.031  175.838 13.055  -12.31938      19.16467 
1 1 1 5   4  16 o 659.851  19.423  3849.63    223.778 4111.41    316.479 3587.88    316.460 678.119 26.729  632.360 28.661  45.75830       39.19027 
1 1 1 5   4  17 o 424.171  13.968  1581.29    103.450 1666.95    146.308 1495.66    146.293 434.198 19.298  410.984 20.386  23.21356       28.07165 
1 1 1 5   4  18 o 190.688  11.666  320.125    38.655  351.657    47.374  257.316    66.861  199.594 13.676  168.592 23.339  31.00154       27.05078 
1 1 1 5   4  19 o 351.278  14.188  1084.77    87.025  1161.65    106.706 932.081    150.387 363.002 16.835  321.672 27.026  41.32983       31.84047 
1 1 1 5   4  20 f 404.903  15.357  1442.74    108.571 1579.14    133.092 1171.42    187.713 422.979 18.021  359.653 30.170  63.32599       35.14242 
1 1 1 5   4  21 o 102.097  13.773  93.198     23.927  97.679     34.001  88.802     33.678  103.484 19.533  98.439  20.269  5.045403       28.14909 
1 1 1 5   4  22 o 155.740  13.636  214.619    36.707  253.626    52.123  176.237    51.704  168.644 17.978  139.389 21.971  29.25496       28.38924 
1 1 1 5   4  23 f 457.498  21.195  1852.79    169.311 1917.09    239.461 1788.51    239.423 461.364 29.886  445.041 31.005  16.32361       43.06349 
1 1 1 5   4  24 o 214.831  11.286  405.558    42.186  456.276    72.688  379.798    51.803  226.725 18.523  207.447 14.391  19.27841       23.45596 
1 1 1 5   4  25 o 438.385  13.970  1686.97    106.934 1730.16    151.275 1643.84    151.179 442.807 19.566  431.501 20.065  11.30606       28.02549 
1 1 1 5   4  26 o 336.362  12.018  991.512    70.585  1051.24    99.917  932.011    99.729  345.758 16.550  324.935 17.644  20.82227       24.19117 
1 1 1 5   4  27 o 434.462  13.682  1655.78    103.796 1807.49    146.907 1504.55    146.671 453.026 18.572  412.963 20.341  40.06250       27.54398 
1 1 1 5   4  28 o 662.610  18.970  3867.48    219.482 4086.55    310.406 3648.44    310.383 678.384 26.205  640.331 27.761  38.05316       38.17570 
1 1 1 5   4  29 o 335.249  11.688  984.516    68.418  946.809    96.600  1022.47    96.914  327.736 16.939  341.115 16.271  -13.37961      23.48779 
1 1 1 5   4  30 o 573.819  16.947  2894.81    169.801 2731.58    239.982 3058.47    240.289 555.217 24.754  587.959 23.406  -32.74225      34.06781 
1 1 1 5   4  31 o 676.753  18.766  4032.88    221.745 3816.39    313.400 4249.90    313.791 655.185 27.395  692.029 25.969  -36.84387      37.74751 
1 1 1 5   4  32 o 109.773  12.480  106.954    23.496  100.836    27.241  124.733    46.433  106.123 15.129  116.697 23.599  -10.57410      28.03233 
1 1 1 5   4  33 o 93.819   13.966  78.887     22.181  77.259     26.903  82.343     39.197  92.249  17.339  94.626  23.758  -2.376663      29.41217 
1 1 1 5   4  34 o 373.443  15.300  1224.84    99.762  1229.66    122.153 1215.20    172.879 373.148 18.809  368.709 27.042  4.438995       32.93975 
1 1 1 5   4  35 o 432.219  20.409  1648.87    154.027 1783.33    218.025 1514.89    217.629 446.503 28.109  410.472 30.584  36.03046       41.53917 
1 1 1 5   4  36 o 460.973  17.428  1870.52    140.278 1982.62    242.911 1814.44    171.825 470.038 29.751  452.981 21.724  17.05685       36.83810 
1 1 1 5   4  37 o 235.628  12.869  488.401    52.746  434.416    91.245  515.496    64.642  220.017 24.149  241.710 15.396  -21.69273      28.63924 
1 1 1 5   4  38 o 502.799  18.428  2228.93    161.783 2446.63    280.243 2120.11    198.134 521.328 30.925  488.971 23.207  32.35666       38.66388 
1 1 1 5   4  39 o 218.258  12.293  419.095    46.658  417.974    81.502  419.642    56.905  216.184 21.893  217.987 15.043  -1.803772      26.56311 
1 1 1 5   4  40 o 244.694  11.291  524.842    48.241  579.916    68.193  469.670    68.253  256.334 15.306  230.262 17.098  26.07217       22.94814 
1 1 1 5   4  41 o 171.092  10.841  257.574    32.220  247.144    45.750  267.838    45.384  166.816 15.899  173.857 15.100  -7.041595      21.92715 
1 1 1 5   4  42 o 286.059  11.872  717.920    59.300  799.858    83.856  635.952    83.870  300.925 16.017  267.793 18.042  33.13235       24.12577 
1 1 1 5   4  43 o 436.058  16.721  1677.17    127.311 1755.17    220.097 1637.95    156.069 440.852 28.750  429.730 20.800  11.12216       35.48534 
1 1 1 5   4  44 o 219.404  16.984  427.470    64.557  450.864    90.248  402.954    92.385  223.708 23.453  210.711 25.639  12.99702       34.74762 
1 1 1 5   4  45 o 293.073  17.412  761.960    88.701  677.260    123.720 851.544    127.238 273.462 26.233  307.802 23.861  -34.33942      35.46130 
1 1 1 5   4  46 o 188.241  13.926  313.716    45.448  281.185    54.175  391.007    83.505  177.369 17.730  207.867 23.415  -30.49791      29.37040 
1 1 1 5   4  47 o 255.627  15.306  578.971    68.005  830.260    82.287  37.594     120.780 306.239 15.439  100.259 41.719  205.9803       44.48434 
1 1 1 5   4  48 o 127.561  23.180  150.246    49.727  0.0000     0.0000  150.246    49.727  ?       ?       127.561 23.180  0.000000       23.17996 
1 1 1 5   4  49 o 297.017  15.899  783.614    82.153  533.580    111.376 1082.00    121.669 240.893 26.941  347.433 20.143  -106.5400      33.63812 
1 1 1 5   4  50 o 63.904   21.416  34.793     28.150  17.671     31.722  98.240     61.065  56.357  22.107  102.304 31.282  -45.94733      38.30494 
1 1 1 5   4  51 o 119.878  14.323  129.021    29.386  108.205    33.477  198.908    61.341  108.658 18.295  145.945 24.969  -37.28683      30.95401 
1 1 1 5   4  52 o 96.483   13.984  84.174     22.871  75.446     30.414  95.534     34.697  89.877  19.905  101.271 20.328  -11.39384      28.45120 
1 1 1 5   4  53 o 277.869  11.527  682.238    55.927  633.097    77.281  736.271    81.037  265.428 16.761  286.545 16.264  -21.11731      23.35476 
1 1 1 5   4  54 f 109.321  14.188  108.164    26.443  106.298    31.826  112.324    47.521  107.378 17.584  107.841 25.617  -0.4635391     31.07122 
1 1 1 5   4  55 o 281.687  13.549  707.591    66.642  733.419    81.138  654.042    116.829 284.985 16.374  262.716 25.801  22.26886       30.55857 
1 1 1 5   4  56 o 56.344   18.101  28.476     20.199  8.6818     24.234  73.530     36.561  46.348  18.924  87.108  23.498  -40.75996      30.17054 
1 1 1 5   4  57 o 58.377   17.871  31.438     19.923  19.022     24.952  53.278     33.093  52.130  19.826  74.758  23.057  -22.62810      30.40830 
1 1 1 5   4  58 o 31.815   14.235  -6.1586    16.246  -0.8714    18.887  -21.1983   31.854  36.982  15.980  41.163  18.997  -4.180794      24.82417 
1 1 1 5   4  59 o 51.007   17.815  22.128     19.527  19.170     23.274  29.160     35.887  50.914  19.199  61.888  23.719  -10.97398      30.51560 
1 1 1 5   4  60 o 67.563   18.384  44.157     22.265  34.827     27.405  62.275     38.190  61.692  21.129  78.824  24.844  -17.13155      32.61333 
1 1 1 5   4  61 o 141.974  17.143  190.380    41.637  163.133    53.889  230.741    65.585  125.858 25.398  149.710 26.035  -23.85222      36.37113 
1 1 1 5   4  62 o 29.750   13.938  -16.3082   18.186  -30.6924   22.183  13.176     31.759  29.810  14.360  51.788  21.458  -21.97789      25.82014 
1 1 1 5   4  63 o 114.261  15.822  124.219    30.719  56.601     43.379  192.237    43.507  74.124  26.491  140.852 18.110  -66.72797      32.08953 
1 1 1 5   4  64 o 69.419   22.006  49.757     29.930  60.102     49.671  43.860     37.504  75.215  28.110  66.694  24.519  8.520966       37.30092 
1 1 1 5   4  65 o 56.434   22.524  25.246     33.463  58.202     41.800  -33.5698   55.842  73.139  26.019  50.598  23.927  22.54095       35.34787 
1 1 1 5   4  66 o 55.145   22.192  24.023     32.778  9.4724     40.861  50.286     54.896  53.061  23.208  70.025  28.525  -16.96487      36.77327 
1 1 1 5   4  67 o 68.848   17.751  48.785     21.475  54.033     26.786  39.342     35.931  71.018  20.476  62.293  23.767  8.725029       31.37076 
1 1 1 5   4  68 o 42.076   18.200  4.7507     24.552  15.968     38.542  -2.9093    31.850  53.068  22.879  43.806  19.739  9.261417       30.21739 
1 1 1 5   4  69 o 28.732   13.524  -14.7542   17.462  -16.4624   18.886  -4.6895    45.842  29.603  13.973  49.626  22.863  -20.02358      26.79445 
1 1 1 5   4  70 o 54.582   21.109  29.926     28.609  35.209     47.031  26.823     36.045  59.900  25.536  54.825  22.800  5.075035       34.23385 
1 1 1 5   4  71 o 39.793   16.401  9.9957     18.415  4.2502     22.467  21.758     32.146  39.539  17.254  51.048  21.404  -11.50922      27.49257 
1 1 1 5   5  0  o 354.033  12.741  1099.49    78.759  942.188    111.356 1256.94    111.409 326.092 19.649  377.854 16.886  -51.76215      25.90812 
1 1 1 5   5  1  o 68.734   9.3266  42.105     10.904  35.595     15.392  48.664     15.450  62.425  14.413  73.483  12.488  -11.05783      19.07048 
1 1 1 5   5  2  o 384.172  13.487  1295.55    90.469  1217.93    127.921 1373.21    127.965 370.807 19.829  394.559 18.574  -23.75189      27.16994 
1 1 1 5   5  3  o 570.392  17.474  2866.81    174.036 2808.61    246.101 2925.03    246.146 561.834 25.087  573.576 24.578  -11.74243      35.11975 
1 1 1 5   5  4  o 235.792  11.898  488.739    48.829  467.770    84.417  499.283    59.860  228.910 21.367  237.942 14.477  -9.031738      25.80966 
1 1 1 5   5  5  o 187.225  12.728  308.983    41.360  0.0000     0.0000  308.983    41.360  ?       ?       187.225 12.728  0.000000       12.72755 
1 1 1 5   5  6  o 378.138  18.031  1261.29    119.054 0.0000     0.0000  1261.29    119.054 ?       ?       378.138 18.031  0.000000       18.03150 
1 1 1 5   5  7  o 570.652  24.321  2897.55    242.330 2660.55    342.570 3134.93    342.843 539.365 36.592  587.747 33.546  -48.38251      49.64174 
1 1 1 5   5  8  o 294.247  16.325  764.813    83.546  716.813    117.855 813.299    118.450 282.880 24.090  301.871 22.637  -18.99069      33.05731 
1 1 1 5   5  9  o 198.290  10.561  345.518    36.434  274.203    44.418  492.167    63.695  176.006 14.585  235.980 15.546  -59.97389      21.31627 
1 1 1 5   5  10 o 242.211  12.459  516.210    52.514  497.076    64.190  554.935    91.319  237.139 15.589  249.375 21.172  -12.23616      26.29255 
1 1 1 5   5  11 o 230.018  9.7785  463.422    39.273  427.129    55.438  499.985    55.644  219.927 14.518  238.204 13.433  -18.27654      19.77967 
1 1 1 5   5  12 o 247.717  12.531  539.982    54.026  543.994    66.186  531.973    93.523  248.152 15.351  243.828 22.211  4.323898       26.99901 
1 1 1 5   5  13 o 176.509  11.252  274.277    34.496  282.105    42.272  258.670    59.686  178.674 13.653  169.715 20.561  8.958878       24.68103 
1 1 1 5   5  14 o 647.680  22.198  3724.19    251.037 3584.36    307.447 4003.89    434.834 632.400 27.843  660.235 37.878  -27.83502      47.01005 
1 1 1 5   5  15 o 340.365  17.156  1023.90    101.629 1023.90    101.629 0.0000     0.0000  340.365 17.156  ?       ?       0.000000       17.15570 
1 1 1 5   5  16 o 146.605  11.166  189.494    28.368  197.907    34.804  172.842    48.964  149.518 13.476  138.219 20.945  11.29941       24.90538 
1 1 1 5   5  17 o 650.212  22.241  3750.36    252.504 3951.40    309.286 3348.55    437.256 665.132 26.631  601.164 41.919  63.96771       49.66269 
1 1 1 5   5  18 o 451.525  17.044  1796.31    134.373 1858.97    164.608 1671.16    232.641 458.378 20.567  429.895 31.206  28.48370       37.37344 
1 1 1 5   5  19 o 480.341  21.894  2044.06    183.631 1936.85    259.671 2151.31    259.715 462.595 32.352  488.536 30.601  -25.94119      44.53170 
1 1 1 5   5  20 o 525.953  19.022  2440.89    174.691 2588.58    302.564 2367.04    213.956 535.320 32.524  516.418 23.728  18.90143       40.25942 
1 1 1 5   5  21 o 361.401  14.775  1147.28    93.233  1089.50    161.394 1176.22    114.219 348.823 26.701  365.409 17.902  -16.58575      32.14690 
1 1 1 5   5  22 o 137.187  9.4835  165.486    22.577  177.960    32.144  153.340    31.719  141.847 13.127  131.447 14.037  10.40056       19.21845 
1 1 1 5   5  23 o 326.514  12.033  934.246    68.604  990.882    96.995  877.551    97.047  335.707 16.547  315.283 17.700  20.42471       24.23036 
1 1 1 5   5  24 o 364.209  12.600  1162.74    80.127  1187.81    113.258 1137.62    113.376 367.404 17.655  359.034 18.144  8.370270       25.31587 
1 1 1 5   5  25 o 65.797   11.217  38.970     12.425  37.180     17.612  40.743     17.531  63.812  15.873  66.796  15.353  -2.984753      22.08273 
1 1 1 5   5  26 o 518.570  15.638  2361.90    141.596 2355.05    200.185 2368.75    200.311 516.245 22.208  517.760 22.157  -1.514160      31.37098 
1 1 1 5   5  27 o 32.542   11.487  8.0605     8.1317  13.596     11.235  1.9704     11.785  40.565  13.529  31.442  13.053  9.123363       18.79982 
1 1 1 5   5  28 o 468.804  14.930  1929.32    122.210 1813.07    172.559 2046.30    173.104 453.053 21.814  481.618 20.585  -28.56528      29.99261 
1 1 1 5   5  29 o 473.621  14.241  1968.30    117.773 1681.97    166.033 2258.27    167.083 436.344 21.792  506.339 18.899  -69.99484      28.84546 
1 1 1 5   5  30 o 51.219   14.441  23.632     13.473  41.463     15.962  -20.5477   25.124  67.511  14.000  36.425  16.832  31.08576       21.89311 
1 1 1 5   5  31 o 464.109  17.468  1895.39    141.557 1914.16    173.328 1857.78    245.305 465.506 21.325  454.649 31.087  10.85736       37.69810 
1 1 1 5   5  32 o 466.107  17.469  1912.14    142.171 1861.77    174.053 2013.12    246.445 458.918 21.721  473.692 29.950  -14.77371      36.99783 
1 1 1 5   5  33 o 225.764  15.658  450.077    61.341  517.539    86.664  382.351    86.834  241.189 20.782  206.181 24.606  35.00819       32.20772 
1 1 1 5   5  34 o 189.689  12.475  316.860    41.088  330.909    70.449  309.618    50.582  192.320 21.339  187.036 15.632  5.283600       26.45189 
1 1 1 5   5  35 o 361.652  15.113  1149.47    95.437  1037.93    164.439 1206.12    117.194 339.880 27.957  369.918 18.144  -30.03754      33.32837 
1 1 1 5   5  36 o 459.395  17.388  1859.32    139.473 1775.76    240.945 1901.42    171.043 443.470 31.318  463.568 21.131  -20.09814      37.78024 
1 1 1 5   5  37 o 334.230  14.575  981.781    85.057  900.651    146.604 1022.95    104.429 316.589 26.772  340.199 17.641  -23.60928      32.06125 
1 1 1 5   5  38 o 185.619  11.017  303.048    35.547  278.612    49.398  329.289    51.191  177.171 16.145  192.874 15.327  -15.70300      22.26170 
1 1 1 5   5  39 o 132.249  13.620  155.262    31.002  139.658    36.236  197.880    59.886  124.730 17.087  147.285 24.122  -22.55407      29.56057 
1 1 1 5   5  40 o 333.519  14.459  978.448    84.201  931.047    102.315 1077.92    148.213 324.154 18.150  346.784 24.638  -22.63062      30.60117 
1 1 1 5   5  41 o 235.938  23.354  500.605    94.947  500.605    94.947  0.0000     0.0000  235.938 23.354  ?       ?       0.000000       23.35394 
1 1 1 5   5  42 o 240.271  17.664  513.007    73.588  0.0000     0.0000  513.007    73.588  ?       ?       240.271 17.664  0.000000       17.66447 
1 1 1 5   5  43 o 131.000  20.502  155.979    45.357  0.0000     0.0000  155.979    45.357  ?       ?       131.000 20.502  0.000000       20.50176 
1 1 1 5   5  44 o 258.233  13.778  588.908    61.902  450.328    103.573 665.915    77.208  221.833 27.317  274.060 16.206  -52.22693      31.76272 
1 1 1 5   5  45 o 536.576  18.207  2555.07    170.579 2970.19    294.985 2346.52    209.081 570.195 29.732  511.507 23.410  58.68735       37.84185 
1 1 1 5   5  46 o 52.098   21.508  7.8112     31.738  -85.2961   61.085  42.241     37.146  50.018  24.028  71.356  24.591  -21.33818      34.38083 
1 1 1 5   5  47 o 427.540  16.753  1622.29    125.067 1776.18    215.857 1544.52    153.449 440.024 28.244  414.606 21.268  25.41803       35.35614 
1 1 1 5   5  48 o 321.849  14.784  917.191    83.081  882.769    100.760 990.296    146.840 314.022 18.458  328.894 25.776  -14.87201      31.70310 
1 1 1 5   5  49 o 165.669  14.269  244.836    40.872  247.986    48.495  237.112    75.940  166.017 16.968  158.194 28.543  7.823257       33.20568 
1 1 1 5   5  50 o 99.311   17.571  90.675     29.354  76.876     33.971  131.345    58.321  90.389  21.781  116.625 28.809  -26.23608      36.11587 
1 1 1 5   5  51 f 257.802  13.755  591.809    61.692  542.743    74.760  696.527    109.218 245.336 17.568  275.126 22.945  -29.78987      28.89809 
1 1 1 5   5  52 o 69.913   19.077  45.718     23.936  60.528     29.325  16.153     41.432  80.030  20.796  60.627  24.748  19.40219       32.32585 
1 1 1 5   5  53 o 54.316   18.819  24.618     21.769  31.956     26.466  9.2714     38.277  60.887  20.764  56.039  23.416  4.848377       31.29634 
1 1 1 5   5  54 o 179.334  13.265  288.683    41.241  324.777    51.048  220.856    69.979  189.314 15.582  149.916 27.756  39.39775       31.83022 
1 1 1 5   5  55 o 84.898   16.472  67.427     23.537  56.054     31.736  81.327     35.087  76.405  22.363  91.561  22.181  -15.15627      31.49731 
1 1 1 5   5  56 o 160.850  12.180  232.622    33.954  240.610    46.213  223.250    50.053  161.641 16.610  154.454 18.958  7.187698       25.20473 
1 1 1 5   5  57 o 168.383  12.043  255.370    35.174  275.474    48.525  233.113    51.058  172.787 16.276  157.339 18.968  15.44861       24.99347 
1 1 1 5   5  58 o 101.607  15.249  96.234     26.218  133.430    34.918  48.164     39.696  118.972 17.317  71.735  25.373  47.23650       30.71907 
1 1 1 5   5  59 o 98.178   15.301  90.461     25.375  71.359     34.153  113.998    37.911  83.964  22.736  107.512 20.948  -23.54736      30.91533 
1 1 1 5   5  60 o 41.288   17.685  2.3383     22.748  19.559     39.258  -6.3666    27.912  58.072  23.942  41.902  18.710  16.16910       30.38546 
1 1 1 5   5  61 o 136.779  15.319  176.119    35.958  181.501    61.239  173.288    44.423  128.737 28.038  132.601 19.793  -3.863617      34.31991 
1 1 1 5   5  62 o 107.113  22.193  118.775    40.142  0.0000     0.0000  118.775    40.142  ?       ?       107.113 22.193  0.000000       22.19294 
1 1 1 5   5  63 o 48.406   20.213  11.706     28.492  0.0000     0.0000  11.706     28.492  ?       ?       48.406  20.213  0.000000       20.21276 
1 1 1 5   5  64 o 78.038   19.827  63.469     27.070  122.381    49.326  38.080     32.382  102.509 27.134  61.940  22.782  40.56926       35.42936 
1 1 1 5   5  65 o 33.148   15.104  -8.1130    19.288  -20.1403   24.385  11.991     31.526  33.836  15.942  49.305  20.961  -15.46909      26.33457 
1 1 1 5   5  66 o 141.052  12.334  187.191    30.072  205.543    41.950  167.790    43.132  143.315 17.102  126.298 20.243  17.01762       26.49959 
1 1 1 5   5  67 o 44.131   17.003  15.981     18.505  9.9736     26.652  21.573     25.712  45.244  19.254  50.250  19.842  -5.006393      27.64811 
1 1 1 5   5  68 o 52.964   17.182  28.910     18.166  1.4267     23.869  66.739     28.004  39.777  17.556  77.398  20.424  -37.62031      26.93301 
1 1 1 5   5  69 o 108.133  13.125  113.931    24.274  112.274    33.592  115.742    35.115  101.176 19.724  102.005 20.428  -0.8291550     28.39587 
1 1 1 5   5  70 o 42.163   16.312  15.376     17.087  32.630     22.763  -6.8989    25.864  54.580  19.223  37.513  17.241  17.06712       25.82260 
1 1 1 5   6  0  o 252.727  12.799  561.997    56.294  577.943    68.983  530.207    97.400  255.835 15.516  243.272 23.212  12.56296       27.91994 
1 1 1 5   6  1  o 131.411  10.794  152.345    24.549  171.678    30.135  114.205    42.327  139.321 12.522  111.530 22.511  27.79031       25.75934 
1 1 1 5   6  2  o 201.120  11.364  355.742    39.742  411.134    48.740  245.862    68.648  216.031 12.982  164.483 24.663  51.54820       27.87076 
1 1 1 5   6  3  o 115.524  9.7908  117.708    19.564  152.960    24.061  48.934     33.607  131.708 10.551  74.470  23.279  57.23789       25.55864 
1 1 1 5   6  4  o 352.839  14.864  1094.71    91.577  1041.90    112.169 1200.26    158.585 342.994 18.801  366.296 24.944  -23.30246      31.23575 
1 1 1 5   6  5  o 188.408  14.493  313.830    47.311  313.830    47.311  0.0000     0.0000  188.408 14.493  ?       ?       0.000000       14.49251 
1 1 1 5   6  6  o 217.571  15.021  418.226    56.715  418.226    56.715  0.0000     0.0000  217.571 15.021  ?       ?       0.000000       15.02122 
1 1 1 5   6  7  o 323.736  17.517  926.661    98.647  926.661    98.647  0.0000     0.0000  323.736 17.517  ?       ?       0.000000       17.51658 
1 1 1 5   6  8  o 660.327  28.093  3903.13    323.904 3903.13    323.904 0.0000     0.0000  660.327 28.093  ?       ?       0.000000       28.09277 
1 1 1 5   6  9  o 372.631  18.785  1228.86    121.829 1240.91    172.292 1216.81    172.293 371.917 26.709  368.168 26.990  3.748871       37.97113 
1 1 1 5   6  10 o 274.683  16.168  666.383    77.205  687.545    109.306 645.316    109.062 277.488 22.760  268.578 23.493  8.910675       32.70994 
1 1 1 5   6  11 o 712.881  29.967  4560.44    373.016 4442.33    527.558 4678.53    527.490 691.788 43.903  711.155 42.678  -19.36743      61.22762 
1 1 1 5   6  12 o 88.458   13.311  70.190     19.922  115.764    28.484  26.552     27.873  113.857 14.669  59.319  21.231  54.53825       25.80573 
1 1 1 5   6  13 o 153.370  11.003  207.150    29.269  187.582    35.524  248.513    51.649  145.471 14.165  166.973 18.000  -21.50212      22.90539 
1 1 1 5   6  14 o 178.369  11.039  279.798    34.212  238.273    41.633  366.153    60.038  164.048 14.690  203.238 17.077  -39.18942      22.52594 
1 1 1 5   6  15 f 308.521  13.728  835.365    73.952  814.507    90.464  877.381    128.398 303.734 17.128  313.741 23.611  -10.00684      29.16934 
1 1 1 5   6  16 o 311.847  11.784  852.201    64.165  877.803    90.740  826.595    90.747  315.505 16.529  306.038 17.050  9.466675       23.74661 
1 1 1 5   6  17 o 77.853   11.349  54.201     14.973  47.195     25.732  57.788     18.411  72.043  19.830  80.058  13.661  -8.015869      24.08028 
1 1 1 5   6  18 o 228.171  11.666  457.294    46.324  380.413    80.080  495.958    56.790  206.204 22.612  237.374 13.761  -31.17001      26.47048 
1 1 1 5   6  19 o 388.262  14.618  1323.25    99.099  1366.41    171.609 1301.66    121.383 391.677 25.227  384.530 18.079  7.147583       31.03601 
1 1 1 5   6  20 o 351.283  12.003  1081.24    73.623  1002.38    104.072 1160.25    104.165 337.050 17.746  363.318 16.420  -26.26718      24.17744 
1 1 1 5   6  21 o 233.013  9.6972  475.128    39.454  461.292    55.810  488.949    55.781  228.878 14.033  235.723 13.611  -6.844467      19.54921 
1 1 1 5   6  22 o 79.279   9.9873  55.873     13.518  55.616     19.391  56.117     18.856  78.343  14.716  78.781  14.231  -0.4379272     20.47156 
1 1 1 5   6  23 o 594.098  17.644  3105.39    183.033 3175.46    258.870 3035.34    258.826 598.524 24.771  584.964 25.341  13.56000       35.43626 
1 1 1 5   6  24 o 233.746  12.574  480.265    51.130  458.948    62.592  523.014    88.640  228.027 15.819  242.513 21.145  -14.48581      26.40677 
1 1 1 5   6  25 o 170.268  9.8090  254.561    29.039  252.629    41.260  256.457    40.877  169.103 14.103  170.421 13.857  -1.318375      19.77117 
1 1 1 5   6  26 o 287.991  11.651  726.620    58.589  756.191    82.762  696.913    82.953  292.869 16.248  280.989 16.987  11.87930       23.50686 
1 1 1 5   6  27 o 205.019  10.426  368.955    37.201  358.237    52.388  379.856    52.836  201.423 15.003  207.492 14.678  -6.068436      20.98924 
1 1 1 5   6  28 o 259.584  12.962  590.949    58.749  607.649    72.052  557.826    101.476 262.475 15.795  249.860 23.537  12.61511       28.34566 
1 1 1 5   6  29 o 53.420   15.654  25.509     15.542  15.864     17.731  57.495     32.291  46.703  16.906  79.509  22.336  -32.80597      28.01310 
1 1 1 5   6  30 o 715.898  29.857  4587.82    373.217 4386.47    527.700 4789.34    527.917 688.852 44.105  721.674 42.077  -32.82159      60.95682 
1 1 1 5   6  31 f 309.524  13.943  841.165    75.357  761.330    129.589 881.955    92.629  291.432 25.731  316.094 16.844  -24.66177      30.75346 
1 1 1 5   6  32 o 417.436  16.304  1533.48    118.834 1461.82    205.423 1569.52    145.684 402.992 29.396  421.520 19.794  -18.52823      35.43939 
1 1 1 5   6  33 o 434.777  16.657  1664.59    126.450 1525.50    218.580 1734.55    155.025 410.982 30.681  442.969 20.043  -31.98740      36.64755 
1 1 1 5   6  34 o 393.794  19.191  1370.00    131.958 1267.60    186.020 1473.72    187.218 375.098 28.618  405.430 26.594  -30.33267      39.06717 
1 1 1 5   6  35 o 161.811  14.987  232.238    41.862  190.945    58.256  276.325    60.195  144.705 23.890  175.643 19.983  -30.93785      31.14616 
1 1 1 5   6  36 o 224.331  12.840  443.315    50.083  465.693    61.038  397.203    87.618  229.514 15.319  209.800 24.372  19.71436       28.78667 
1 1 1 5   6  37 o 557.810  19.616  2754.98    191.052 2576.27    330.554 2844.62    234.117 529.711 35.952  564.984 23.732  -35.27319      43.07820 
1 1 1 5   6  38 o 250.605  13.166  553.468    57.408  429.166    97.761  618.893    70.925  217.372 26.292  264.597 15.418  -47.22470      30.47910 
1 1 1 5   6  39 o 346.370  18.431  1064.85    111.065 0.0000     0.0000  1064.85    111.065 ?       ?       346.370 18.431  0.000000       18.43069 
1 1 1 5   6  40 o 206.986  13.500  378.564    48.524  407.887    82.913  363.289    59.842  212.661 22.679  202.009 17.127  10.65227       28.41959 
1 1 1 5   6  41 o 149.480  14.613  198.823    37.652  183.609    64.330  206.751    46.438  140.441 27.216  151.771 17.865  -11.33029      32.55597 
1 1 1 5   6  42 o ?        ?       -186.7438  10.921  -169.4561  11.469  -354.8266  35.762  ?       ?       ?       ?       0.000000       ?        
1 1 1 5   6  43 o 337.501  12.216  1002.39    71.989  753.702    100.090 1268.92    103.619 290.135 19.877  378.765 15.668  -88.62985      25.30961 
1 1 1 5   6  44 o ?        ?       -82.2623   13.330  -71.6970   15.812  -108.2237  24.786  ?       ?       ?       ?       0.000000       ?        
1 1 1 5   6  45 o 184.494  11.953  301.075    38.297  295.618    51.785  307.664    56.897  181.743 16.498  185.066 17.828  -3.322647      24.29066 
1 1 1 5   6  46 o 79.322   18.980  58.491     25.936  64.927     30.708  42.478     48.441  83.372  21.082  75.120  27.822  8.252594       34.90663 
1 1 1 5   6  47 o 25.839   12.531  -29.4155   17.602  -38.8356   20.135  1.1213     36.252  26.459  12.956  52.347  22.371  -25.88777      25.85141 
1 1 1 5   6  48 o 189.377  16.871  323.139    55.202  347.186    77.054  297.784    79.122  193.760 23.239  177.899 26.262  15.86089       35.06761 
1 1 1 5   6  49 o 296.816  25.866  823.862    132.715 823.862    132.715 0.0000     0.0000  296.816 25.866  ?       ?       0.000000       25.86630 
1 1 1 5   6  50 o 348.641  28.178  1158.36    170.069 1158.36    170.069 0.0000     0.0000  348.641 28.178  ?       ?       0.000000       28.17812 
1 1 1 5   6  51 o 134.810  18.895  168.312    43.254  221.676    59.169  107.064    63.390  153.209 22.814  103.436 31.912  49.77237       39.22860 
1 1 1 5   6  52 o 147.580  14.512  197.343    36.912  189.092    44.607  215.264    65.739  142.926 18.294  148.488 26.319  -5.561508      32.05272 
1 1 1 5   6  53 o 160.058  11.917  229.710    33.065  274.461    46.277  183.036    47.261  173.550 15.432  139.435 19.983  34.11501       25.24847 
1 1 1 5   6  54 o 96.541   17.146  87.621     27.844  88.301     49.750  87.310     33.599  93.173  28.180  94.929  20.842  -1.755951      35.04999 
1 1 1 5   6  55 o 54.472   17.999  26.756     19.901  6.0096     27.424  49.833     28.923  46.878  19.719  71.657  21.445  -24.77943      29.13284 
1 1 1 5   6  56 o 31.581   14.304  -8.2110    16.976  -5.2024    23.965  -11.2408   24.050  39.475  17.499  37.366  16.964  2.109200       24.37186 
1 1 1 5   6  57 o 114.417  13.671  120.839    26.771  132.236    37.063  108.407    38.709  117.145 18.753  104.056 21.993  13.08892       28.90273 
1 1 1 5   6  58 o 93.457   15.201  82.606     23.952  83.370     33.647  81.820     34.105  90.704  21.562  89.630  21.964  1.073326       30.77871 
1 1 1 5   6  59 o 165.434  14.223  254.742    40.686  249.567    70.172  257.362    49.937  151.950 27.459  163.526 17.776  -11.57567      32.71046 
1 1 1 5   6  60 o 48.245   19.577  14.080     25.738  0.0000     0.0000  14.080     25.738  ?       ?       48.245  19.577  0.000000       19.57746 
1 1 1 5   6  61 o 40.543   18.223  -6.0421    26.948  0.0000     0.0000  -6.0421    26.948  ?       ?       40.543  18.223  0.000000       18.22337 
1 1 1 5   6  62 o 84.528   28.565  86.368     50.086  0.0000     0.0000  86.368     50.086  ?       ?       84.528  28.565  0.000000       28.56533 
1 1 1 5   6  63 o 42.247   16.848  11.988     18.709  31.782     26.276  -8.3660    26.645  56.868  20.581  39.063  17.781  17.80511       27.19866 
1 1 1 5   6  64 o 124.868  13.032  148.260    27.994  193.736    39.567  102.680    39.612  139.568 16.559  94.707  23.942  44.86167       29.11048 
1 1 1 5   6  65 o 46.038   17.745  17.903     20.163  6.9962     27.685  30.225     29.425  44.565  19.301  55.650  21.440  -11.08512      28.84842 
1 1 1 5   6  66 o 55.972   18.869  33.091     21.854  44.221     33.366  24.728     28.922  62.472  23.099  52.278  20.914  10.19444       31.16047 
1 1 1 5   6  67 o 114.069  14.584  129.627    28.382  164.992    40.516  95.550     39.771  123.360 19.455  87.080  24.903  36.28001       31.60159 
1 1 1 5   6  68 o 45.898   17.837  19.315     20.502  38.691     30.365  3.0807     27.794  58.024  21.918  41.923  18.699  16.10157       28.81021 
1 1 1 5   7  0  o 407.133  15.786  1456.47    112.220 1364.73    194.151 1502.49    137.518 390.245 28.694  412.907 19.074  -22.66205      34.45560 
1 1 1 5   7  1  o 291.724  11.385  745.479    57.990  683.404    81.895  807.901    82.125  278.245 16.937  302.855 15.583  -24.61029      23.01524 
1 1 1 5   7  2  o 256.110  11.540  574.623    51.604  462.169    62.860  807.067    90.374  228.803 15.832  302.410 17.186  -73.60704      23.36687 
1 1 1 5   7  3  o 420.846  15.612  1556.00    114.721 1446.58    140.360 1776.19    199.112 404.998 19.848  446.571 25.643  -41.57309      32.42728 
1 1 1 5   7  4  o 451.866  15.370  1793.45    121.271 1510.97    148.357 2362.29    210.527 413.775 20.534  516.562 23.341  -102.7871      31.08808 
1 1 1 5   7  5  o 716.131  20.363  4525.09    254.628 4102.34    360.028 4948.17    360.169 677.461 30.436  745.538 27.668  -68.07733      41.13229 
1 1 1 5   7  6  o 518.635  16.010  2363.80    144.984 2265.83    204.989 2461.86    205.088 505.954 23.204  527.674 22.259  -21.71997      32.15408 
1 1 1 5   7  7  o 335.639  11.777  986.986    69.021  853.698    97.488  1120.94    97.732  310.909 18.035  357.208 15.669  -46.29840      23.89155 
1 1 1 5   7  8  f 462.736  14.649  1879.57    118.357 1781.41    167.331 1977.86    167.434 449.127 21.338  473.512 20.251  -24.38464      29.41771 
1 1 1 5   7  9  o 458.857  13.820  1847.08    110.727 1611.27    156.487 2083.53    156.697 427.225 20.978  486.426 18.449  -59.20059      27.93648 
1 1 1 5   7  10 o 262.628  10.457  603.829    47.953  573.227    67.658  634.717    67.974  255.041 15.263  268.527 14.552  -13.48647      21.08830 
1 1 1 5   7  11 o 321.202  11.255  903.589    63.123  799.607    89.137  1008.19    89.402  301.070 17.026  338.852 15.110  -37.78259      22.76409 
1 1 1 5   7  12 o 434.777  13.827  1658.23    104.966 1713.02    148.514 1603.53    148.374 440.908 19.291  426.453 19.926  14.45517       27.73444 
1 1 1 5   7  13 o 379.955  12.704  1265.46    84.279  1249.03    119.293 1281.83    119.086 376.695 18.137  381.654 17.870  -4.959351      25.46146 
1 1 1 5   7  14 o 192.557  11.670  325.988    39.052  341.264    67.605  318.338    47.841  195.734 20.065  189.905 14.538  5.829437       24.77813 
1 1 1 5   7  15 o 173.367  10.416  264.057    31.383  262.602    54.100  264.794    38.528  171.762 18.321  173.330 12.821  -1.567825      22.36195 
1 1 1 5   7  16 o 330.806  13.893  960.011    80.247  950.686    139.012 964.672    98.276  326.650 24.552  330.771 17.074  -4.120911      29.90573 
1 1 1 5   7  17 o 294.746  12.743  761.562    65.581  714.994    113.469 784.920    80.362  283.365 23.135  298.551 15.469  -15.18604      27.83033 
1 1 1 5   7  18 o 169.927  12.108  254.295    35.690  229.367    43.769  303.760    61.655  160.821 15.791  184.661 19.412  -23.84041      25.02360 
1 1 1 5   7  19 o 213.852  12.312  402.132    45.780  349.536    55.995  508.158    79.503  198.766 16.277  239.383 19.182  -40.61787      25.15692 
1 1 1 5   7  20 f 566.811  19.643  2833.00    194.410 2891.13    238.109 2716.74    336.708 571.245 23.872  547.958 35.381  23.28778       42.68130 
1 1 1 5   7  21 o 305.826  13.935  820.738    74.410  801.874    91.095  858.562    128.991 301.375 17.385  310.360 23.989  -8.985046      29.62631 
1 1 1 5   7  22 o 674.838  19.407  4016.17    228.671 4064.86    323.438 3967.51    323.342 675.547 27.420  667.248 27.753  8.299744       39.01427 
1 1 1 5   7  23 o 460.036  14.785  1858.74    118.758 1714.75    167.744 2003.44    168.154 440.310 21.819  476.371 20.216  -36.06042      29.74464 
1 1 1 5   7  24 o 175.639  10.165  271.004    31.042  218.921    42.597  329.984    45.329  157.036 15.747  193.455 13.504  -36.41890      20.74463 
1 1 1 5   7  25 o 641.208  27.123  3665.60    303.663 3450.85    429.306 3880.63    429.584 613.362 40.310  652.387 37.875  -39.02460      55.31197 
1 1 1 5   7  26 o 359.817  18.571  1144.75    116.279 1140.80    164.337 1148.71    164.550 356.861 26.564  358.121 26.503  -1.260101      37.52441 
1 1 1 5   7  27 o 614.855  26.403  3370.19    283.457 3192.79    400.837 3547.64    400.900 590.095 39.125  623.713 36.977  -33.61810      53.83354 
1 1 1 5   7  28 f 368.717  27.007  1219.92    172.662 1219.92    172.662 0.0000     0.0000  368.717 27.007  ?       ?       0.000000       27.00677 
1 1 1 5   7  29 o 496.614  22.071  2186.92    191.385 2052.42    269.745 2323.27    271.583 475.741 32.671  507.316 30.805  -31.57455      44.90363 
1 1 1 5   7  30 o 381.260  18.092  1282.88    120.439 1092.42    168.789 1480.45    171.908 348.180 28.000  407.126 24.293  -58.94617      37.07006 
1 1 1 5   7  31 o 408.967  19.541  1479.46    139.538 1372.66    196.135 1588.92    198.561 389.904 29.017  420.465 27.192  -30.56076      39.76649 
1 1 1 5   7  32 o 198.088  12.165  345.669    41.873  249.167    70.653  397.915    51.987  165.285 25.285  212.275 14.106  -46.98949      28.95398 
1 1 1 5   7  33 o 281.626  12.975  696.806    63.805  594.526    108.737 750.514    78.796  256.986 24.531  291.480 15.538  -34.49423      29.03791 
1 1 1 5   7  34 o 333.172  14.271  976.846    83.019  869.716    141.975 1032.51    102.340 310.361 26.451  341.499 17.218  -31.13837      31.56173 
1 1 1 5   7  35 o 491.924  15.151  2132.66    130.134 1896.00    183.173 2373.84    184.914 461.123 22.750  516.992 20.484  -55.86938      30.61330 
1 1 1 5   7  36 o 231.403  13.409  472.682    53.944  389.693    89.182  520.566    67.743  207.042 25.188  242.308 16.103  -35.26561      29.89579 
1 1 1 5   7  37 o 125.222  18.510  141.899    39.252  149.517    52.711  132.415    58.809  127.085 24.644  118.648 28.700  8.437355       37.82853 
1 1 1 5   7  38 o ?        ?       -107.9614  9.5515  -111.1003  9.9325  -69.3833   34.821  ?       ?       34.421  16.892  0.000000       16.89203 
1 1 1 5   7  39 o 354.757  19.870  1124.68    122.586 1309.57    171.281 930.511    175.521 379.866 25.979  316.645 32.194  63.22025       41.36903 
1 1 1 5   7  40 o 36.643   16.380  -8.8544    21.453  9.9833     25.167  -58.9269   41.031  48.350  19.450  40.910  19.663  7.440491       27.65763 
1 1 1 5   7  41 o 543.277  16.686  2620.25    158.286 2450.59    222.803 2793.12    224.911 520.414 24.519  556.666 23.139  -36.25238      33.71402 
1 1 1 5   7  42 o 331.572  12.448  969.623    72.070  875.486    100.071 1071.07    103.882 312.690 18.410  346.914 17.150  -34.22421      25.16013 
1 1 1 5   7  43 o 147.872  11.541  193.865    29.563  135.173    39.521  268.427    44.545  121.443 19.282  173.367 14.859  -51.92446      24.34308 
1 1 1 5   7  44 o 131.205  14.515  154.568    32.696  154.199    37.422  155.757    67.215  130.439 16.823  126.565 30.724  3.873596       35.02827 
1 1 1 5   7  45 o 117.743  15.336  125.481    30.780  113.215    35.046  166.864    64.373  110.768 18.792  131.271 28.870  -20.50302      34.44724 
1 1 1 5   7  46 o 137.988  14.074  171.112    33.436  154.752    38.475  221.585    67.581  130.182 17.359  152.446 26.342  -22.26395      31.54684 
1 1 1 5   7  47 o 81.572   20.157  62.968     28.544  62.968     28.544  0.0000     0.0000  81.572  20.157  ?       ?       0.000000       20.15735 
1 1 1 5   7  48 o 82.086   20.192  64.074     28.741  64.074     28.741  0.0000     0.0000  82.086  20.192  ?       ?       0.000000       20.19197 
1 1 1 5   7  49 o 167.492  13.111  252.092    38.037  259.344    46.107  236.641    67.301  168.821 15.826  156.313 25.541  12.50792       30.04656 
1 1 1 5   7  50 o 151.727  11.837  206.432    31.111  205.487    42.811  207.489    45.291  149.471 16.688  149.761 17.660  -0.2901764     24.29719 
1 1 1 5   7  51 o 296.559  12.449  787.968    64.465  755.721    89.953  822.016    92.431  285.899 18.113  298.481 17.816  -12.58243      25.40684 
1 1 1 5   7  52 o 97.457   14.820  88.040     24.425  75.601     32.625  103.901    36.841  87.707  21.476  103.288 21.140  -15.58102      30.13461 
1 1 1 5   7  53 f 25.966   12.359  -18.6508   15.379  -9.6397    20.123  -31.3029   23.845  34.291  15.548  31.448  15.082  2.842466       21.66149 
1 1 1 5   7  54 o 106.586  14.148  105.334    25.680  104.708    35.128  106.052    37.635  103.334 20.193  103.257 21.570  0.7690430E-01  29.54690 
1 1 1 5   7  55 o 143.273  12.039  187.073    29.838  147.029    41.077  231.801    43.413  122.566 19.875  157.144 16.047  -34.57704      25.54429 
1 1 1 5   7  56 o 90.629   15.162  78.057     23.145  71.386     32.247  85.145     33.239  83.343  21.881  91.517  21.215  -8.173370      30.47676 
1 1 1 5   7  57 o 63.342   17.525  39.716     20.037  40.742     26.944  38.447     29.971  63.936  20.934  62.899  22.065  1.036804       30.41556 
1 1 1 5   7  58 o 37.487   17.077  -10.0746   24.638  0.0000     0.0000  -10.0746   24.638  ?       ?       37.487  17.077  0.000000       17.07736 
1 1 1 5   7  59 o 54.774   21.936  23.363     31.856  0.0000     0.0000  23.363     31.856  ?       ?       54.774  21.936  0.000000       21.93611 
1 1 1 5   7  60 o 59.634   22.782  34.096     33.043  0.0000     0.0000  34.096     33.043  ?       ?       59.634  22.782  0.000000       22.78238 
1 1 1 5   7  61 o 42.688   17.501  10.710     20.833  8.2583     30.787  12.781     28.295  47.227  20.404  47.756  20.056  -0.5287437     28.61067 
1 1 1 5   7  62 o 25.222   12.138  -20.5765   15.754  -19.9484   19.129  -21.9002   27.771  28.905  13.765  35.705  16.881  -6.800503      21.78195 
1 1 1 5   7  63 o 74.569   17.678  58.457     22.667  69.816     29.568  42.267     35.299  78.940  21.062  61.933  23.574  17.00684       31.61229 
1 1 1 5   7  64 o 137.651  13.133  183.282    31.183  178.921    43.158  188.045    45.104  128.518 19.874  131.197 20.348  -2.678802      28.44332 
1 1 1 5   7  65 o 56.905   19.254  35.627     22.755  48.325     31.300  21.392     33.140  63.583  22.526  51.145  21.604  12.43780       31.21104 
1 1 1 5   7  66 o 55.901   19.506  35.105     23.408  37.886     31.346  31.598     35.196  57.267  22.111  54.808  22.640  2.458595       31.64563 
1 1 1 5   8  0  o 780.361  25.843  5401.78    352.130 5461.32    431.236 5282.63    610.002 781.602 31.599  757.372 46.350  24.22961       56.09662 
1 1 1 5   8  1  o 780.712  25.651  5405.83    349.666 5326.15    428.203 5565.31    605.779 771.714 31.778  778.705 44.741  -6.990967      54.87831 
1 1 1 5   8  2  o 415.518  16.449  1517.25    119.339 1424.30    206.746 1563.70    146.145 398.548 29.928  421.199 19.872  -22.65137      35.92439 
1 1 1 5   8  3  o 224.581  10.026  441.413    39.314  470.022    55.525  412.651    55.673  231.082 13.825  216.327 14.829  14.75539       20.27341 
1 1 1 5   8  4  o 342.879  11.494  1029.73    68.813  947.934    97.161  1112.05    97.472  327.914 17.028  355.824 15.688  -27.91055      23.15343 
1 1 1 5   8  5  o 353.447  12.393  1094.78    76.482  1062.20    108.092 1127.45    108.231 346.983 17.902  358.037 17.313  -11.05426      24.90409 
1 1 1 5   8  6  o 125.372  8.4343  138.087    18.356  145.185    26.028  131.064    25.891  128.202 11.759  121.674 12.358  6.529030       17.05839 
1 1 1 5   8  7  o 307.444  11.577  827.994    62.147  834.469    87.925  821.528    87.853  307.691 16.425  305.268 16.544  2.422943       23.31271 
1 1 1 5   8  8  o 380.135  12.536  1266.59    83.207  1311.43    117.751 1221.87    117.596 386.084 17.467  372.566 18.077  13.51810       25.13708 
1 1 1 5   8  9  o 375.268  12.535  1234.41    82.138  1291.29    116.320 1177.83    116.002 383.109 17.389  365.764 18.164  17.34579       25.14534 
1 1 1 5   8  10 o 187.547  9.4924  308.580    30.984  342.873    44.096  275.138    43.544  197.339 12.868  176.496 14.251  20.84314       19.20105 
1 1 1 5   8  11 o 963.013  29.627  8282.20    498.175 9103.22    862.972 7871.85    610.099 988.109 50.183  932.610 37.466  55.49884       62.62624 
1 1 1 5   8  12 o 490.127  17.414  2114.08    149.030 2173.44    258.273 2084.45    182.473 492.188 30.199  485.663 21.518  6.524384       37.08081 
1 1 1 5   8  13 o 172.860  10.614  262.634    31.881  324.092    55.851  232.929    38.829  191.211 16.902  162.345 13.830  28.86589       21.83931 
1 1 1 5   8  14 o 506.387  15.536  2253.42    137.370 2248.35    194.294 2258.48    194.247 504.145 22.072  505.295 22.016  -1.150024      31.17517 
1 1 1 5   8  15 o 137.888  9.0789  167.087    21.736  162.934    31.141  171.032    30.354  135.637 13.321  139.094 12.636  -3.457108      18.36062 
1 1 1 5   8  16 o 524.876  17.890  2426.84    163.954 2643.69    284.082 2318.53    200.765 542.639 30.101  511.713 22.470  30.92572       37.56257 
1 1 1 5   8  17 o 815.780  26.248  5924.81    373.877 5737.19    647.570 6018.63    457.906 784.507 47.498  818.333 32.047  -33.82562      57.29823 
1 1 1 5   8  18 o 693.690  22.186  4261.56    268.720 4510.86    465.580 4137.02    329.062 703.170 38.062  680.795 27.682  22.37543       47.06387 
1 1 1 5   8  19 o 350.393  13.957  1078.09    85.389  1107.46    148.416 1063.56    104.399 352.291 24.276  347.503 17.206  4.787811       29.75493 
1 1 1 5   8  20 o 330.270  17.940  964.356    103.069 0.0000     0.0000  964.356    103.069 ?       ?       330.270 17.940  0.000000       17.94028 
1 1 1 5   8  21 o 531.263  23.725  2507.23    220.075 0.0000     0.0000  2507.23    220.075 ?       ?       531.263 23.725  0.000000       23.72454 
1 1 1 5   8  22 o 520.625  33.775  2461.44    305.378 0.0000     0.0000  2461.44    305.378 ?       ?       520.625 33.775  0.000000       33.77547 
1 1 1 5   8  23 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 5   8  24 f 424.387  29.408  1625.19    216.574 1625.19    216.574 0.0000     0.0000  424.387 29.408  ?       ?       0.000000       29.40806 
1 1 1 5   8  25 o 76.790   24.538  51.580     37.158  51.580     37.158  0.0000     0.0000  76.790  24.538  ?       ?       0.000000       24.53828 
1 1 1 5   8  26 o 514.698  23.053  2356.87    207.178 2494.75    293.157 2219.29    292.832 524.034 32.195  492.896 34.238  31.13815       46.99702 
1 1 1 5   8  27 o 281.439  13.730  696.352    67.469  692.494    116.950 698.277    82.601  277.598 24.375  280.829 16.924  -3.230591      29.67427 
1 1 1 5   8  28 o 49.953   17.394  19.720     18.608  -35.9379   34.913  41.804     21.992  40.959  19.229  67.628  18.216  -26.66847      26.48707 
1 1 1 5   8  29 o 189.748  12.864  317.842    42.368  277.584    73.012  338.281    52.023  174.613 24.631  195.332 15.378  -20.71875      29.03732 
1 1 1 5   8  30 o 184.713  10.860  300.361    34.873  286.121    48.877  315.127    49.771  179.434 15.760  188.473 15.255  -9.038773      21.93368 
1 1 1 5   8  31 o 145.899  11.780  188.165    29.754  194.671    41.096  180.998    43.135  147.622 16.210  141.942 17.795  5.679810       24.07183 
1 1 1 5   8  32 o 513.700  16.257  2331.90    145.818 2447.22    206.139 2216.39    206.296 523.344 22.559  497.433 23.752  25.91116       32.75708 
1 1 1 5   8  33 o 142.600  11.625  179.856    28.693  108.095    39.213  262.555    42.095  108.263 21.502  172.021 14.140  -63.75775      25.73463 
1 1 1 5   8  34 o 254.601  13.577  572.850    60.140  571.730    103.170 573.427    74.015  251.250 23.801  253.921 16.789  -2.671524      29.12643 
1 1 1 5   8  35 o 449.382  17.157  1791.37    134.624 1871.41    232.977 1751.24    164.950 451.392 29.726  442.405 21.354  8.986969       36.60051 
1 1 1 5   8  36 o ?        ?       -384.2741  12.051  -371.3887  13.172  -450.4398  29.849  ?       ?       ?       ?       0.000000       ?        
1 1 1 5   8  37 o 220.967  11.203  430.695    43.082  365.096    59.370  503.653    62.612  202.007 16.990  238.025 15.144  -36.01875      22.75956 
1 1 1 5   8  38 o 127.121  12.097  143.722    26.526  127.722    35.481  163.999    39.941  118.492 17.691  134.643 17.396  -16.15126      24.81144 
1 1 1 5   8  39 o 167.729  13.083  250.133    38.012  233.897    44.713  292.453    72.187  161.407 16.080  177.993 23.825  -16.58589      28.74326 
1 1 1 5   8  40 o 153.598  11.425  209.229    30.421  217.893    41.441  199.104    44.799  155.784 15.438  148.214 17.658  7.570755       23.45557 
1 1 1 5   8  41 o 174.606  13.043  271.578    39.478  251.480    46.561  322.981    74.464  167.088 16.161  186.679 23.356  -19.59175      28.40211 
1 1 1 5   8  42 o 290.292  13.409  748.550    67.969  644.014    81.650  984.481    122.664 267.083 17.607  327.885 21.545  -60.80215      27.82480 
1 1 1 5   8  43 o 170.330  15.557  261.860    45.757  261.860    45.757  0.0000     0.0000  170.330 15.557  ?       ?       0.000000       15.55708 
1 1 1 5   8  44 o 75.875   19.386  54.459     25.778  54.459     25.778  0.0000     0.0000  75.875  19.386  ?       ?       0.000000       19.38618 
1 1 1 5   8  45 o 160.818  16.046  235.507    44.456  235.507    44.456  0.0000     0.0000  160.818 16.046  ?       ?       0.000000       16.04612 
1 1 1 5   8  46 o 134.443  16.235  165.952    37.340  165.952    37.340  0.0000     0.0000  134.443 16.235  ?       ?       0.000000       16.23538 
1 1 1 5   8  47 o 32.816   14.484  -4.0230    16.248  -1.7952    17.109  -24.5066   51.877  34.798  15.122  53.724  24.591  -18.92650      28.86871 
1 1 1 5   8  48 o 131.801  12.577  157.228    28.593  148.925    36.514  170.389    45.973  126.450 16.966  133.674 20.338  -7.223969      26.48530 
1 1 1 5   8  49 o 33.574   14.775  -3.3551    16.788  -8.2723    19.107  13.296     35.160  33.855  15.269  54.584  22.594  -20.72868      27.26973 
1 1 1 5   8  50 o 126.293  12.892  145.626    28.031  156.484    37.109  131.200    42.775  129.039 16.874  115.180 22.073  13.85925       27.78383 
1 1 1 5   8  51 o 144.795  11.729  190.227    29.398  144.780    39.331  247.759    44.252  122.475 19.008  163.026 15.742  -40.55087      24.67985 
1 1 1 5   8  52 o 56.153   17.537  30.018     19.077  27.947     24.021  33.555     31.393  55.846  19.739  61.279  22.447  -5.432510      29.89175 
1 1 1 5   8  53 o 57.217   17.706  31.622     19.498  9.4104     24.185  72.868     32.957  45.344  18.752  83.937  22.161  -38.59317      29.02951 
1 1 1 5   8  54 o 37.846   16.011  3.5851     18.247  7.0374     22.477  -3.0886    31.250  42.824  17.923  44.818  19.919  -1.994576      26.79584 
1 1 1 5   8  55 o 72.985   21.303  55.789     28.836  67.159     48.542  49.587     35.847  77.442  27.982  68.930  24.134  8.512283       36.95191 
1 1 1 5   8  56 o 158.602  14.807  239.861    40.531  272.769    66.963  220.835    50.916  157.764 25.154  146.851 20.409  10.91284       32.39188 
1 1 1 5   8  57 o 76.936   24.380  67.138     36.738  0.0000     0.0000  67.138     36.738  ?       ?       76.936  24.380  0.000000       24.37964 
1 1 1 5   8  58 o 49.304   19.898  18.171     26.432  37.840     32.044  -23.6985   46.753  60.701  22.599  46.853  22.076  13.84738       31.59182 
1 1 1 5   8  59 o 48.529   18.752  20.320     22.561  1.9845     32.591  37.191     31.263  45.578  20.294  59.707  22.303  -14.12903      30.15472 
1 1 1 5   8  60 o 47.161   18.588  18.512     22.528  16.148     32.432  20.717     31.315  50.045  21.267  51.471  21.316  -1.425999      30.11053 
1 1 1 5   8  61 o 30.266   13.772  -5.9661    15.964  -4.7878    19.282  -8.5343    28.468  33.775  15.276  39.247  18.057  -5.472282      23.65179 
1 1 1 5   8  62 o 52.091   17.325  28.528     18.427  20.474     22.870  43.436     31.114  47.592  18.738  60.996  22.347  -13.40371      29.16340 
1 1 1 5   8  63 o 35.414   15.224  4.1099     16.968  12.380     20.853  -12.0943   29.189  42.048  17.402  38.010  17.760  4.038483       24.86449 
1 1 1 5   8  64 o 22.346   10.951  -24.3701   14.473  -35.9182   17.121  4.5437     27.090  22.632  11.241  41.448  18.476  -18.81602      21.62636 
1 1 1 5   9  0  o 277.864  13.289  677.382    64.475  631.996    79.011  767.837    111.544 267.449 17.008  293.820 21.899  -26.37149      27.72816 
1 1 1 5   9  1  f 684.204  28.803  4182.33    344.101 4213.47    486.645 4151.20    486.619 677.544 41.333  672.242 41.663  5.302429       58.68700 
1 1 1 5   9  2  o 172.427  10.875  261.457    32.575  212.401    56.038  286.493    40.033  153.546 21.491  180.285 12.801  -26.73872      25.01398 
1 1 1 5   9  3  o 471.696  16.317  1957.26    134.388 1486.00    232.376 2194.07    164.730 405.035 33.148  498.772 18.915  -93.73669      38.16498 
1 1 1 5   9  4  o 618.393  21.089  3381.36    227.714 3375.34    394.353 3384.37    278.911 608.711 37.283  616.687 25.902  -7.975830      45.39763 
1 1 1 5   9  5  f 346.595  14.099  1054.83    85.324  1104.44    147.821 1030.05    104.488 351.897 24.205  341.514 17.582  10.38263       29.91687 
1 1 1 5   9  6  o 162.907  11.914  233.888    33.655  205.161    58.645  247.995    41.096  150.473 23.055  167.456 14.188  -16.98323      27.07131 
1 1 1 5   9  7  o 377.739  17.834  1257.49    117.623 0.0000     0.0000  1257.49    117.623 ?       ?       377.739 17.834  0.000000       17.83352 
1 1 1 5   9  8  o 474.947  18.956  1990.66    157.203 0.0000     0.0000  1990.66    157.203 ?       ?       474.947 18.956  0.000000       18.95631 
1 1 1 5   9  9  o 485.324  22.302  2087.55    188.985 0.0000     0.0000  2087.55    188.985 ?       ?       485.324 22.302  0.000000       22.30150 
1 1 1 5   9  10 o 328.204  17.004  951.311    97.108  0.0000     0.0000  951.311    97.108  ?       ?       328.204 17.004  0.000000       17.00365 
1 1 1 5   9  11 o 408.129  15.802  1465.63    112.608 1675.99    195.311 1360.88    137.822 432.856 25.962  391.804 20.215  41.05212       32.90355 
1 1 1 5   9  12 f 446.018  16.506  1751.87    128.547 1723.05    222.693 1766.27    157.422 437.382 29.330  446.896 20.174  -9.514374      35.59798 
1 1 1 5   9  13 o 297.533  12.995  777.110    67.510  754.188    117.129 788.514    82.613  290.479 23.289  298.893 15.887  -8.413239      28.19162 
1 1 1 5   9  14 o 366.704  14.356  1182.02    91.921  1090.71    159.120 1227.75    112.613 348.544 26.340  373.162 17.283  -24.61783      31.50443 
1 1 1 5   9  15 o 288.134  12.790  728.823    64.348  617.631    111.370 784.546    78.840  262.221 24.612  298.232 15.190  -36.01025      28.92239 
1 1 1 5   9  16 o 397.803  13.444  1390.20    93.379  1306.87    132.052 1473.54    132.064 383.825 19.771  408.417 18.519  -24.59225      27.08949 
1 1 1 5   9  17 o 371.901  13.189  1214.94    85.644  1173.67    121.043 1256.30    121.194 363.826 19.121  377.088 18.407  -13.26248      26.54085 
1 1 1 5   9  18 o 563.194  19.853  2808.73    195.227 2641.94    239.005 3143.12    338.419 543.896 25.167  587.626 33.118  -43.72980      41.59534 
1 1 1 5   9  19 o 282.760  16.642  707.581    81.805  707.581    81.805  0.0000     0.0000  282.760 16.642  ?       ?       0.000000       16.64244 
1 1 1 5   9  20 o 74.024   17.267  50.300     21.909  50.300     21.909  0.0000     0.0000  74.024  17.267  ?       ?       0.000000       17.26743 
1 1 1 5   9  21 o 151.880  14.963  205.076    39.165  137.809    55.063  273.953    55.719  121.700 26.651  175.027 18.513  -53.32710      32.44987 
1 1 1 5   9  22 o 566.577  20.148  2848.84    199.318 2702.09    345.024 2922.34    244.186 540.608 36.770  571.641 24.464  -31.03229      44.16485 
1 1 1 5   9  23 o 241.176  12.922  512.812    54.220  410.314    93.292  565.092    66.628  212.454 25.669  252.752 15.167  -40.29843      29.81547 
1 1 1 5   9  24 o 230.997  11.312  468.454    45.625  433.301    64.985  502.626    64.073  220.765 16.989  238.208 15.489  -17.44395      22.98978 
1 1 1 5   9  25 o 167.340  11.205  246.953    32.550  285.740    46.598  209.990    45.489  179.387 15.015  153.113 17.319  26.27364       22.92180 
1 1 1 5   9  26 o 338.737  14.900  1012.28    88.129  969.965    153.966 1032.91    107.478 326.611 27.247  340.863 18.123  -14.25159      32.72360 
1 1 1 5   9  27 o 82.332   18.326  62.463     25.667  36.644     46.238  73.962     30.857  72.339  27.104  89.423  20.235  -17.08470      33.82436 
1 1 1 5   9  28 o ?        ?       -340.0743  8.6811  -376.9179  13.517  -314.2061  11.326  ?       ?       ?       ?       0.000000       ?        
1 1 1 5   9  29 o 365.910  18.826  1194.48    119.871 784.136    168.693 1612.99    170.365 289.066 34.077  423.111 23.148  -134.0454      41.19584 
1 1 1 5   9  30 o 439.696  20.379  1728.27    156.460 1342.34    220.519 2119.49    222.024 378.714 33.700  482.443 26.458  -103.7292      42.84529 
1 1 1 5   9  31 o ?        ?       -183.5273  7.5900  -160.3216  9.6407  -221.3615  12.310  ?       ?       ?       ?       0.000000       ?        
1 1 1 5   9  32 o 25.702   12.379  -24.9689   16.458  1.5805     20.035  -80.0671   28.862  39.801  16.804  27.961  13.997  11.83991       21.86976 
1 1 1 5   9  33 o 182.910  12.992  296.948    41.224  252.005    67.365  323.856    52.124  165.086 24.079  190.326 15.828  -25.24005      28.81547 
1 1 1 5   9  34 o 320.611  12.407  907.734    69.456  839.030    97.864  977.462    98.591  305.641 18.424  330.582 17.139  -24.94037      25.16331 
1 1 1 5   9  35 o 302.469  12.363  808.551    65.291  752.383    92.318  864.759    92.351  289.119 18.383  310.653 17.091  -21.53445      25.10070 
1 1 1 5   9  36 o 158.109  11.758  222.062    32.229  230.257    46.105  214.231    45.071  159.626 16.794  153.826 17.068  5.799896       23.94482 
1 1 1 5   9  37 o 202.484  13.214  365.404    46.463  364.051    56.533  368.221    81.561  201.069 16.241  198.764 23.985  2.305176       28.96687 
1 1 1 5   9  38 o 48.039   18.479  14.541     21.832  20.191     26.868  3.5593     37.459  54.314  20.593  53.626  22.824  0.6880417      30.74069 
1 1 1 5   9  39 o 230.255  13.390  473.909    53.602  424.307    65.414  575.290    93.518  216.050 17.490  249.235 21.706  -33.18488      27.87585 
1 1 1 5   9  40 o 151.371  13.104  205.791    34.292  166.837    41.155  294.257    62.021  134.486 17.976  178.045 20.314  -43.55835      27.12530 
1 1 1 5   9  41 o 168.963  15.488  259.448    45.186  259.448    45.186  0.0000     0.0000  168.963 15.488  ?       ?       0.000000       15.48846 
1 1 1 5   9  42 o 78.665   18.578  58.970     25.111  58.970     25.111  0.0000     0.0000  78.665  18.578  ?       ?       0.000000       18.57824 
1 1 1 5   9  43 o 55.052   17.607  27.543     19.128  29.053     22.383  23.454     36.831  57.081  19.097  60.114  23.744  -3.033768      30.47075 
1 1 1 5   9  44 o 45.584   16.899  15.552     17.880  -0.9166    20.756  62.916     35.201  38.619  16.719  79.846  23.604  -41.22705      28.92535 
1 1 1 5   9  45 o 95.961   13.659  84.868     22.240  117.477    29.662  42.999     33.611  112.403 15.528  67.980  23.393  44.42274       28.07786 
1 1 1 5   9  46 o 40.024   15.713  9.5565     16.038  17.566     20.499  -3.0850    25.753  48.168  18.047  41.703  18.327  6.465210       25.72144 
1 1 1 5   9  47 o 30.824   13.801  -5.4657    15.295  -8.4311    18.645  0.6349     26.742  33.142  15.003  43.739  18.957  -10.59653      24.17515 
1 1 1 5   9  48 o 120.878  13.869  135.553    28.742  108.229    34.516  197.359    51.911  104.864 19.571  140.634 21.849  -35.77007      29.33238 
1 1 1 5   9  49 o 48.337   17.692  19.414     19.496  23.786     22.220  4.7920     40.633  52.335  18.929  53.143  23.196  -0.8081779     29.93925 
1 1 1 5   9  50 o 173.191  11.977  275.009    35.996  256.022    47.284  301.181    55.514  163.380 16.815  175.849 18.350  -12.46892      24.88934 
1 1 1 5   9  51 o 43.024   16.910  12.540     18.595  17.386     22.650  2.5202     32.570  48.155  18.738  47.274  20.697  0.8807945      27.91959 
1 1 1 5   9  52 f 37.186   16.562  -3.7402    21.723  -22.7117   29.489  18.769     32.121  37.455  17.612  52.900  21.715  -15.44562      27.95911 
1 1 1 5   9  53 o 130.611  21.161  178.653    46.609  0.0000     0.0000  178.653    46.609  ?       ?       130.611 21.161  0.000000       21.16125 
1 1 1 5   9  54 o 48.071   21.546  0.3415     37.386  0.0000     0.0000  0.3415     37.386  ?       ?       48.071  21.546  0.000000       21.54582 
1 1 1 5   9  55 o 42.984   19.936  -13.7904   35.728  0.0000     0.0000  -13.7904   35.728  ?       ?       42.984  19.936  0.000000       19.93604 
1 1 1 5   9  56 o 85.802   18.977  78.382     27.676  53.552     39.944  101.310    38.382  67.429  25.206  93.358  23.549  -25.92881      34.49465 
1 1 1 5   9  57 o 33.073   15.142  -7.7927    19.687  -9.2866    25.464  -5.5729    31.040  37.114  17.076  41.812  19.094  -4.698353      25.61618 
1 1 1 5   9  58 o 54.360   19.521  31.332     23.582  53.229     33.317  9.3498     33.383  66.360  23.265  47.223  20.807  19.13711       31.21192 
1 1 1 5   9  59 o 79.789   16.095  66.490     21.650  51.181     28.551  87.204     33.210  65.522  21.554  85.528  22.085  -20.00576      30.86014 
1 1 1 5   9  60 o 61.796   17.704  42.385     20.082  42.477     26.263  42.255     31.163  59.959  20.676  59.193  22.237  0.7650909      30.36429 
1 1 1 5   9  61 o 33.197   14.544  1.6819     16.106  -5.5511    20.941  12.157     25.200  33.988  15.582  43.308  18.583  -9.319126      24.25125 
1 1 1 5   10 0  o 460.270  15.303  1864.99    122.985 1776.35    142.049 2130.35    245.777 448.445 18.141  485.890 29.103  -37.44501      34.29451 
1 1 1 5   10 1  o 209.174  10.399  383.474    37.980  400.642    44.056  333.797    74.943  213.354 11.873  192.492 22.737  20.86192       25.64993 
1 1 1 5   10 2  o 601.346  20.841  3206.84    218.830 3245.56    268.091 3129.54    378.798 602.657 25.477  583.076 37.404  19.58099       45.25625 
1 1 1 5   10 3  o 430.003  15.969  1629.35    119.895 1758.21    147.043 1373.76    207.097 445.859 18.888  388.909 30.748  56.94925       36.08598 
1 1 1 5   10 4  o 216.512  12.334  412.877    46.435  405.243    80.535  416.679    56.833  212.469 22.028  217.041 15.090  -4.572433      26.70155 
1 1 1 5   10 5  o 65.213   13.096  38.688     14.395  52.582     24.554  31.412     17.768  75.637  18.698  58.888  16.578  16.74904       24.98913 
1 1 1 5   10 6  o 142.910  9.8679  179.804    24.473  187.153    34.946  172.733    34.282  145.223 13.953  139.408 14.285  5.815109       19.96926 
1 1 1 5   10 7  o 54.237   13.567  26.875     12.815  14.021     18.991  37.622     17.365  46.239  17.361  64.081  15.654  -17.84231      23.37657 
1 1 1 5   10 8  o 136.368  10.352  163.960    24.464  165.852    34.751  162.102    34.446  136.462 14.823  134.883 14.873  1.578415       20.99837 
1 1 1 5   10 9  o 106.576  11.056  100.701    20.274  87.524     29.435  112.595    27.965  98.034  17.854  112.166 14.627  -14.13172      23.08038 
1 1 1 5   10 10 o 28.243   11.862  0.9022     9.8985  -21.8802   16.608  13.454     12.327  26.827  12.790  41.078  14.166  -14.25046      19.08500 
1 1 1 5   10 11 o 303.802  11.745  810.374    62.303  813.721    88.293  807.055    87.927  303.096 16.748  301.848 16.749  1.248138       23.68582 
1 1 1 5   10 12 o 527.103  18.178  2459.48    167.307 2697.68    205.132 1986.19    289.155 550.609 21.337  463.271 36.030  87.33823       41.87373 
1 1 1 5   10 13 o 460.376  17.502  1874.86    140.688 1857.10    172.275 1910.42    243.772 456.630 21.607  457.667 30.683  -1.037140      37.52715 
1 1 1 5   10 14 o 355.933  14.963  1117.00    92.990  1038.58    113.755 1274.97    161.445 341.636 19.147  376.354 24.705  -34.71811      31.25604 
1 1 1 5   10 15 o 375.263  19.156  1253.01    125.102 1253.01    125.102 0.0000     0.0000  375.263 19.156  ?       ?       0.000000       19.15646 
1 1 1 5   10 16 o 121.909  16.428  133.656    34.079  71.917     48.295  194.892    48.097  89.267  27.907  146.971 19.201  -57.70402      33.87443 
1 1 1 5   10 17 o 134.711  16.369  162.733    37.711  172.571    52.497  152.244    54.205  137.219 22.705  128.066 25.138  9.153915       33.87387 
1 1 1 5   10 18 o 133.263  16.777  159.574    38.172  145.510    53.823  173.807    54.145  124.984 25.526  137.479 23.394  -12.49507      34.62461 
1 1 1 5   10 19 o 161.215  11.227  229.459    31.407  222.809    44.393  236.122    44.439  157.865 16.342  162.670 15.847  -4.805176      22.76372 
1 1 1 5   10 20 o 244.199  11.342  524.187    48.362  479.934    68.026  569.413    68.770  232.116 16.900  253.280 15.626  -21.16400      23.01757 
1 1 1 5   10 21 o ?        ?       -247.6367  7.9603  -196.7631  10.458  -317.6989  12.273  ?       ?       ?       ?       0.000000       ?        
1 1 1 5   10 22 o 470.597  15.308  1959.56    125.783 1972.90    177.731 1946.17    178.036 469.051 21.701  465.753 21.892  3.297455       30.82539 
1 1 1 5   10 23 o 103.715  14.212  96.753     25.059  46.316     36.678  140.910    34.318  73.241  24.446  125.093 16.084  -51.85291      29.26298 
1 1 1 5   10 24 o 171.030  11.785  258.803    34.980  255.968    50.236  261.472    48.737  168.810 17.287  170.830 16.547  -2.019653      23.92974 
1 1 1 5   10 25 o 37.376   15.473  3.4524     16.493  17.667     24.161  -8.9525    22.570  51.705  19.546  37.650  16.817  14.05429       25.78497 
1 1 1 5   10 26 f 95.024   13.628  81.417     21.964  83.185     31.802  79.805     30.372  94.635  19.878  92.760  19.377  1.875725       27.75959 
1 1 1 5   10 27 o 151.219  13.428  203.835    35.085  267.754    62.422  174.318    42.419  171.063 21.365  138.586 17.952  32.47716       27.90555 
1 1 1 5   10 28 o 133.638  13.646  159.772    31.396  139.731    56.839  168.572    37.663  120.757 27.564  136.684 16.089  -15.92670      31.91620 
1 1 1 5   10 29 o 261.038  13.669  605.833    62.087  549.782    108.673 632.995    75.650  242.962 26.021  265.807 16.379  -22.84566      30.74715 
1 1 1 5   10 30 o 41.989   16.799  8.1590     18.661  63.112     35.405  -12.9815   21.959  81.913  23.518  35.450  16.139  46.46340       28.52310 
1 1 1 5   10 31 o 246.365  13.495  540.851    57.831  509.533    71.080  602.180    99.467  237.581 17.252  255.528 22.524  -17.94615      28.37186 
1 1 1 5   10 32 o 121.292  17.068  134.704    35.147  136.103    48.044  133.093    51.550  119.503 23.861  117.396 25.848  2.106453       35.17740 
1 1 1 5   10 33 o 126.262  16.164  145.436    34.817  140.416    47.741  151.140    50.888  121.352 23.379  125.725 24.057  -4.373283      33.54599 
1 1 1 5   10 34 o 94.672   17.736  83.643     28.241  73.019     38.120  96.567     42.046  86.935  24.215  99.714  24.358  -12.77988      34.34639 
1 1 1 5   10 35 o 146.770  15.779  196.332    39.801  196.332    39.801  0.0000     0.0000  146.770 15.779  ?       ?       0.000000       15.77853 
1 1 1 5   10 36 o 102.195  17.976  97.878     30.905  97.878     30.905  0.0000     0.0000  102.195 17.976  ?       ?       0.000000       17.97580 
1 1 1 5   10 37 o 68.528   20.979  44.417     27.455  44.417     27.455  0.0000     0.0000  68.528  20.979  ?       ?       0.000000       20.97853 
1 1 1 5   10 38 o 74.192   21.240  53.281     28.915  53.281     28.915  0.0000     0.0000  74.192  21.240  ?       ?       0.000000       21.23965 
1 1 1 5   10 39 o 256.116  13.813  594.655    61.543  586.053    74.789  612.698    108.315 251.790 17.113  249.674 25.190  2.116302       30.45308 
1 1 1 5   10 40 o 58.239   19.757  30.641     23.960  26.424     28.772  40.183     43.279  57.429  21.407  69.027  26.144  -11.59844      33.79052 
1 1 1 5   10 41 o 83.711   18.324  67.895     26.041  61.144     31.020  84.008     47.926  78.298  21.856  89.484  27.771  -11.18546      35.34005 
1 1 1 5   10 42 o 112.548  13.845  117.167    26.634  124.917    37.209  109.024    38.140  113.337 19.506  104.542 21.609  8.794281       29.11052 
1 1 1 5   10 43 o 245.237  11.700  543.972    50.101  515.992    70.218  572.988    71.506  233.549 17.343  246.857 16.688  -13.30759      24.06754 
1 1 1 5   10 44 o 235.019  13.629  509.257    55.687  469.791    68.146  588.584    96.614  221.663 17.756  241.068 23.241  -19.40440      29.24744 
1 1 1 5   10 45 o 119.972  12.772  133.278    26.344  108.121    36.285  161.319    38.308  103.210 20.852  129.129 17.436  -25.91904      27.18156 
1 1 1 5   10 46 o 79.402   15.415  61.057     20.600  60.554     27.928  61.657     30.510  76.595  20.484  76.699  21.769  -0.1044083     29.89168 
1 1 1 5   10 47 o 66.114   17.114  43.771     19.909  48.839     27.186  37.908     29.238  68.498  20.857  61.752  21.783  6.745712       30.15792 
1 1 1 5   10 48 o 130.940  11.903  159.203    26.917  139.930    36.477  182.242    39.883  118.138 18.273  136.004 17.178  -17.86617      25.07975 
1 1 1 5   10 49 o 52.997   18.547  27.132     21.171  58.365     34.964  9.0512     26.602  72.235  23.857  45.512  19.297  26.72301       30.68434 
1 1 1 5   10 50 o 49.794   18.243  22.925     20.735  11.068     34.093  29.885     26.122  49.758  21.485  55.379  20.446  -5.620487      29.65898 
1 1 1 5   10 51 o 90.296   17.530  83.856     26.642  116.392    43.754  64.684     33.587  98.981  25.239  74.794  23.255  24.18657       34.31869 
1 1 1 5   10 52 o 32.995   15.436  -14.8578   22.168  0.0000     0.0000  -14.8578   22.168  ?       ?       32.995  15.436  0.000000       15.43607 
1 1 1 5   10 53 o 44.631   17.520  16.457     19.939  36.525     29.270  -0.9171    27.235  58.110  21.606  40.928  18.364  17.18258       28.35533 
1 1 1 5   10 54 o 38.625   16.178  7.8099     18.331  0.0000     27.288  14.232     24.745  40.964  18.381  45.280  18.866  -4.316196      26.33956 
1 1 1 5   10 55 o 58.649   19.415  38.706     23.151  15.981     32.784  61.310     32.697  48.684  21.045  70.084  23.067  -21.40042      31.22423 
1 1 1 5   10 56 o 33.857   15.370  -4.0802    19.738  -4.2525    25.466  -3.8210    31.238  37.804  17.276  41.210  18.943  -3.405544      25.63806 
1 1 1 5   10 57 o 56.164   17.978  35.692     19.940  27.080     24.482  52.667     34.369  50.330  19.510  63.029  23.416  -12.69938      30.47890 
1 1 1 5   10 58 o 75.798   17.747  65.041     23.074  66.059     29.222  63.356     37.604  71.864  21.567  66.127  24.508  5.736122       32.64642 
1 1 1 5   11 0  o 122.976  20.381  138.186    42.230  -42.4238   65.367  267.571    55.326  59.893  27.484  172.578 18.657  -112.6848      33.21856 
1 1 1 5   11 1  o ?        ?       -207.1951  5.3270  -518.2812  12.776  -141.7346  5.8607  ?       ?       ?       ?       0.000000       ?        
1 1 1 5   11 2  o 99.697   15.504  89.865     26.112  18.192     33.331  203.751    42.015  57.723  22.655  150.906 16.199  -93.18230      27.85042 
1 1 1 5   11 3  o 267.289  13.691  631.510    63.680  626.479    78.423  641.249    109.106 265.332 17.017  266.121 23.730  -0.7889404     29.20059 
1 1 1 5   11 4  o 181.430  13.458  291.712    42.331  235.181    52.904  392.312    70.574  161.492 19.134  208.990 19.568  -47.49873      27.36791 
1 1 1 5   11 5  o 152.248  16.047  207.366    42.017  78.694     60.150  329.986    58.718  94.181  31.300  192.011 17.714  -97.83028      35.96469 
1 1 1 5   11 6  o 593.637  17.617  3129.36    182.608 3424.24    258.411 2835.23    258.083 616.544 24.004  559.187 26.433  57.35760       35.70537 
1 1 1 5   11 7  o 318.082  17.540  901.156    97.041  941.399    137.931 861.714    136.552 322.043 24.718  307.581 25.660  14.46158       35.62893 
1 1 1 5   11 8  o 400.938  14.546  1420.43    101.833 1700.44    125.183 872.639    175.091 437.982 16.369  305.083 33.415  132.8988       37.20933 
1 1 1 5   11 9  o 456.957  16.744  1852.91    133.594 1629.96    163.056 2308.17    233.006 425.569 22.019  503.239 26.612  -77.67062      34.54021 
1 1 1 5   11 10 o 188.972  13.797  316.938    45.211  214.755    76.707  371.331    55.965  150.418 30.254  204.124 15.826  -53.70573      34.14370 
1 1 1 5   11 11 o 342.814  18.611  1050.72    110.985 1084.13    156.598 1016.99    157.316 344.303 26.246  332.796 27.314  11.50781       37.88003 
1 1 1 5   11 12 o 27.515   13.342  -33.2861   19.932  13.708     25.941  -101.0185  31.143  50.733  19.962  27.359  13.806  23.37373       24.27139 
1 1 1 5   11 13 o ?        ?       -46.4269   9.3730  -45.6012   10.015  -52.2563   26.610  ?       ?       30.222  14.818  0.000000       14.81845 
1 1 1 5   11 14 o 288.523  13.920  736.209    70.127  708.863    85.256  793.415    123.311 281.588 17.426  294.875 24.162  -13.28693      29.79015 
1 1 1 5   11 15 o 319.859  12.462  902.841    69.598  888.516    98.097  917.360    98.759  315.053 17.906  320.217 17.732  -5.164337      25.20058 
1 1 1 5   11 16 o 288.563  13.909  737.095    70.082  730.893    85.673  749.640    121.841 285.808 17.248  285.922 24.646  -0.1135864     30.08212 
1 1 1 5   11 17 o 169.346  12.815  254.834    37.611  248.922    45.586  267.440    66.563  166.583 15.864  170.352 22.963  -3.768478      27.91010 
1 1 1 5   11 18 o 412.151  16.322  1513.82    117.464 1416.17    143.677 1710.64    203.982 395.596 20.874  429.596 27.336  -33.99991      34.39462 
1 1 1 5   11 19 o 384.776  15.793  1318.79    106.102 1256.65    129.869 1443.52    184.000 372.877 20.020  394.444 26.876  -21.56683      33.51320 
1 1 1 5   11 20 o 108.965  14.045  107.046    26.101  122.641    31.257  71.128     47.436  116.296 15.802  87.513  27.700  28.78316       31.89033 
1 1 1 5   11 21 o 223.836  12.896  445.355    50.191  427.863    61.364  480.706    87.236  218.254 16.218  228.752 22.117  -10.49837      27.42591 
1 1 1 5   11 22 o 62.713   16.887  36.463     18.904  46.775     22.584  12.331     34.549  70.770  18.180  55.292  22.588  15.47741       28.99556 
1 1 1 5   11 23 f 116.976  16.620  125.001    32.992  147.405    45.532  100.235    47.872  125.502 21.554  101.712 26.639  23.79048       34.26705 
1 1 1 5   11 24 o 248.599  16.409  557.247    70.825  574.597    100.914 540.404    99.425  248.382 23.550  240.542 23.993  7.840302       33.61919 
1 1 1 5   11 25 o 173.055  15.542  270.596    46.461  337.099    68.074  212.604    63.569  190.927 20.754  149.078 25.327  41.84872       32.74456 
1 1 1 5   11 26 f 189.676  16.017  325.926    52.549  319.393    76.108  331.878    72.644  183.542 24.349  188.165 22.560  -4.623215      33.19432 
1 1 1 5   11 27 o 73.474   16.748  50.662     21.008  39.566     26.627  68.959     34.192  65.628  20.751  84.601  22.682  -18.97259      30.74232 
1 1 1 5   11 28 o 181.837  12.923  296.698    40.762  277.099    50.455  333.529    69.167  174.079 16.809  188.619 21.379  -14.54079      27.19549 
1 1 1 5   11 29 o 150.246  12.933  203.324    33.599  192.278    41.446  224.498    57.382  144.603 16.724  153.734 22.004  -9.131241      27.63837 
1 1 1 5   11 30 o 81.141   15.548  61.470     21.226  65.896     26.197  53.012     36.218  83.162  18.517  74.757  24.261  8.404716       30.52009 
1 1 1 5   11 31 o 64.636   15.237  39.347     16.915  46.530     23.525  31.659     24.339  69.714  18.867  59.383  19.913  10.33022       27.43173 
1 1 1 5   11 32 o 165.864  11.198  246.718    32.241  228.915    45.538  264.612    45.654  157.138 16.861  169.753 15.576  -12.61536      22.95440 
1 1 1 5   11 33 o 76.802   14.494  55.169     18.724  52.702     26.777  57.529     26.192  73.550  20.222  76.932  19.479  -3.381721      28.07771 
1 1 1 5   11 34 o 31.793   13.679  -0.2551    13.722  14.814     18.043  -20.9292   21.133  45.007  16.918  31.553  14.859  13.45313       22.51686 
1 1 1 5   11 35 o 45.384   16.871  15.692     17.845  8.9482     20.426  37.426     36.672  42.979  17.441  65.389  24.209  -22.40976      29.83697 
1 1 1 5   11 36 o 118.564  14.343  130.450    29.089  156.468    35.462  76.933     50.860  129.052 16.087  85.254  28.785  43.79789       32.97532 
1 1 1 5   11 37 o 76.379   22.162  59.286     31.291  126.018    44.211  -7.6980    44.294  110.794 23.577  51.931  23.351  58.86285       33.18335 
1 1 1 5   11 38 o 56.436   20.024  28.837     24.742  46.460     36.713  14.173     33.488  68.795  24.394  52.893  21.985  15.90197       32.83892 
1 1 1 5   11 39 o 128.743  17.663  160.518    38.659  125.708    55.688  192.899    53.709  104.789 29.295  136.646 23.349  -31.85697      37.46222 
1 1 1 5   11 40 o 37.286   16.308  -0.9988    20.173  39.129     42.323  -12.7956   22.948  65.544  25.584  35.265  16.220  30.27873       30.29240 
1 1 1 5   11 41 o 90.611   18.086  82.012     27.613  67.544     33.903  110.518    47.590  79.258  23.089  98.521  26.906  -19.26324      35.45478 
1 1 1 5   11 42 o 78.423   18.917  63.062     25.604  66.637     32.203  56.917     42.217  78.612  22.384  72.136  26.091  6.476463       34.37683 
1 1 1 5   11 43 o 118.120  15.137  134.808    30.501  151.357    37.660  103.254    52.002  122.846 18.099  91.320  29.013  31.52647       34.19530 
1 1 1 5   11 44 o 69.407   20.723  51.760     27.032  46.712     33.346  61.437     46.166  65.747  23.255  72.620  27.108  -6.872841      35.71595 
1 1 1 5   11 45 o 92.081   15.211  83.599     23.603  90.285     33.721  77.176     33.047  90.722  21.598  83.055  22.313  7.666916       31.05401 
1 1 1 5   11 46 o 72.085   18.858  55.459     24.007  42.560     39.301  63.138     30.322  62.885  24.624  74.802  21.849  -11.91773      32.91951 
1 1 1 5   11 47 o 85.090   17.681  75.677     25.411  50.714     38.960  94.158     33.522  65.781  24.832  91.822  21.318  -26.04072      32.72726 
1 1 1 5   11 48 o 76.346   23.063  69.710     33.338  0.0000     0.0000  69.710     33.338  ?       ?       76.346  23.063  0.000000       23.06340 
1 1 1 5   11 49 o 46.253   18.199  18.663     21.561  41.787     36.783  6.5592     26.611  60.403  23.770  42.954  18.760  17.44859       30.28082 
1 1 1 5   11 50 o 91.385   17.977  90.030     27.663  52.317     47.323  109.607    34.096  63.746  26.284  98.269  20.533  -34.52215      33.35350 
1 1 1 5   11 51 o 56.474   19.720  36.267     23.927  15.312     40.059  47.889     29.833  50.223  22.421  62.529  22.009  -12.30577      31.41833 
1 1 1 5   11 52 o 40.111   16.558  11.449     18.807  17.412     27.552  6.2466     25.736  46.535  19.680  41.330  18.237  5.205070       26.83027 
1 1 1 5   11 53 o 47.566   17.618  24.020     19.426  28.017     30.043  21.148     25.466  51.079  20.988  47.094  19.334  3.985397       28.53563 
1 1 1 5   11 54 o 32.996   14.156  4.2463     14.620  6.7915     19.116  0.6589     22.695  37.282  16.093  36.865  16.632  0.4176941      23.14331 
1 1 1 5   12 0  o 117.310  10.787  122.354    21.848  122.891    25.909  121.030    40.650  117.124 12.882  113.882 21.224  3.242325       24.82723 
1 1 1 5   12 1  o 333.718  12.574  985.813    73.267  1009.93    84.837  915.037    145.331 337.049 14.416  313.035 26.849  24.01474       30.47418 
1 1 1 5   12 2  o 199.191  10.589  350.809    36.695  358.597    42.695  328.793    71.784  200.980 12.224  188.850 22.193  12.13004       25.33681 
1 1 1 5   12 3  o 209.713  10.787  388.979    39.367  388.994    45.780  388.936    77.125  209.231 12.590  205.701 21.806  3.529343       25.17899 
1 1 1 5   12 4  o 293.233  11.466  759.731    58.709  729.839    67.634  851.104    118.250 286.745 13.508  304.601 22.390  -17.85605      26.14972 
1 1 1 5   12 5  o 312.912  16.939  880.051    92.202  704.388    129.344 1061.54    131.470 273.511 27.454  340.301 22.248  -66.79044      35.33718 
1 1 1 5   12 6  o 56.364   20.916  23.186     27.406  23.186     27.406  0.0000     0.0000  56.364  20.916  ?       ?       0.000000       20.91613 
1 1 1 5   12 7  o 129.952  23.351  159.227    51.037  159.227    51.037  0.0000     0.0000  129.952 23.351  ?       ?       0.000000       23.35102 
1 1 1 5   12 8  o 101.186  16.196  93.823     27.649  93.823     27.649  0.0000     0.0000  101.186 16.196  ?       ?       0.000000       16.19576 
1 1 1 5   12 9  o 157.261  12.413  220.619    33.806  221.527    41.289  218.774    58.885  156.735 15.281  152.897 22.750  3.838821       27.40589 
1 1 1 5   12 10 o 54.528   15.951  27.180     16.150  10.676     22.013  46.421     23.768  45.962  18.292  70.386  18.928  -24.42410      26.32275 
1 1 1 5   12 11 o 336.201  12.660  1004.02    74.319  988.896    104.981 1019.22    105.224 330.152 18.282  335.357 18.036  -5.204620      25.68159 
1 1 1 5   12 12 o 86.158   13.724  67.707     19.954  52.113     26.527  88.030     30.283  74.318  20.001  97.095  18.539  -22.77740      27.27158 
1 1 1 5   12 13 o 302.299  12.130  811.540    64.029  735.466    90.139  889.020    90.968  284.243 18.258  313.656 16.670  -29.41364      24.72356 
1 1 1 5   12 14 o 86.347   14.104  68.254     20.530  74.717     27.472  60.079     30.897  89.249  18.245  79.386  21.679  9.862442       28.33472 
1 1 1 5   12 15 o 34.449   14.568  1.2719     15.098  -15.5102   20.163  22.694     22.780  32.591  15.066  53.417  19.186  -20.82603      24.39447 
1 1 1 5   12 16 o 143.150  11.060  182.808    27.429  170.801    37.260  197.014    40.528  136.791 15.896  146.969 16.054  -10.17802      22.59272 
1 1 1 5   12 17 o 212.909  10.799  403.054    40.013  340.418    55.350  471.616    57.909  193.235 16.565  228.692 14.578  -35.45625      22.06630 
1 1 1 5   12 18 o 60.995   15.429  34.856     16.443  16.170     21.340  62.166     25.799  48.396  18.352  80.892  18.647  -32.49667      26.16301 
1 1 1 5   12 19 o 126.990  13.468  146.101    29.408  164.264    51.684  137.405    35.762  130.270 23.590  121.695 17.319  8.575661       29.26517 
1 1 1 5   12 20 o 195.916  12.823  345.149    43.624  291.651    74.659  372.884    53.755  172.831 25.507  202.430 15.322  -29.59959      29.75466 
1 1 1 5   12 21 o 150.326  12.824  204.023    33.338  183.366    56.315  215.168    41.365  136.756 24.483  153.186 15.686  -16.42947      29.07682 
1 1 1 5   12 22 o 117.570  13.491  125.974    27.194  128.493    45.580  124.582    33.885  114.187 23.639  115.379 17.357  -1.192345      29.32748 
1 1 1 5   12 23 o 161.451  11.035  233.688    30.922  212.518    43.226  255.876    44.253  151.442 16.620  166.994 15.348  -15.55202      22.62290 
1 1 1 5   12 24 o 168.453  11.004  254.572    32.189  243.083    44.595  267.069    46.509  162.231 15.949  170.172 15.834  -7.940689      22.47452 
1 1 1 5   12 25 o 124.326  11.600  139.767    24.891  142.454    34.284  136.772    36.195  123.530 16.292  120.291 17.767  3.238289       24.10654 
1 1 1 5   12 26 o 68.523   16.139  44.899     18.991  22.775     26.649  67.727     27.070  54.350  20.532  83.397  19.012  -29.04661      27.98258 
1 1 1 5   12 27 o 94.860   13.494  83.262     21.720  71.754     31.185  94.104     30.269  84.837  21.131  98.860  18.206  -14.02252      27.89272 
1 1 1 5   12 28 o 50.894   16.589  23.733     16.926  24.899     23.098  22.380     24.873  53.818  19.320  53.033  19.877  0.7846832      27.71981 
1 1 1 5   12 29 o 96.772   12.898  86.574     21.251  65.295     29.128  110.790    31.074  80.655  20.608  107.601 17.112  -26.94639      26.78609 
1 1 1 5   12 30 o 154.697  11.356  217.408    30.459  189.532    43.089  245.251    43.063  140.357 17.996  161.770 15.433  -21.41345      23.70751 
1 1 1 5   12 31 o 82.299   16.284  65.523     22.572  58.609     26.795  82.417     41.885  76.194  19.918  87.357  25.726  -11.16318      32.53481 
1 1 1 5   12 32 o 103.661  17.077  104.292    29.832  104.292    29.832  0.0000     0.0000  103.661 17.077  ?       ?       0.000000       17.07652 
1 1 1 5   12 33 o 84.004   18.188  70.436     25.904  70.436     25.904  0.0000     0.0000  84.004  18.188  ?       ?       0.000000       18.18760 
1 1 1 5   12 34 o 101.603  13.770  97.565     23.799  73.426     27.648  166.597    46.756  85.013  19.093  126.733 21.923  -41.72009      29.07133 
1 1 1 5   12 35 o 103.440  12.152  99.752     21.529  95.364     29.152  105.017    31.932  97.800  17.724  102.124 18.592  -4.323784      25.68696 
1 1 1 5   12 36 f 50.573   17.438  24.185     18.681  14.079     30.282  30.394     23.735  49.814  20.823  55.884  19.634  -6.070103      28.61943 
1 1 1 5   12 37 o 45.040   16.227  17.996     16.308  11.562     22.849  24.676     23.283  44.503  18.297  51.954  19.279  -7.450737      26.57912 
1 1 1 5   12 38 o 58.310   16.284  34.428     17.215  29.081     23.677  40.424     25.074  54.483  19.561  61.906  20.191  -7.422733      28.11246 
1 1 1 5   12 39 o 51.713   16.815  26.732     17.394  46.985     24.228  5.1895     24.988  66.172  19.588  42.468  18.365  23.70451       26.85056 
1 1 1 5   12 40 o 30.185   13.398  -2.3387    14.096  8.3259     19.326  -14.4586   20.603  40.089  16.686  31.828  14.887  8.260817       22.36150 
1 1 1 5   12 41 o 128.487  12.107  156.863    26.841  180.156    38.022  133.727    37.894  133.127 16.726  110.966 20.306  22.16123       26.30810 
1 1 1 5   12 42 o 41.632   16.951  11.840     19.373  12.020     36.255  11.768     22.920  49.515  21.754  43.492  18.142  6.023094       28.32611 
1 1 1 5   12 43 o 90.044   20.470  91.317     31.455  0.0000     0.0000  91.317     31.455  ?       ?       90.044  20.470  0.000000       20.47036 
1 1 1 5   12 44 o 64.707   20.981  49.188     27.090  0.0000     0.0000  49.188     27.090  ?       ?       64.707  20.981  0.000000       20.98078 
1 1 1 5   12 45 o 164.022  17.506  286.634    49.362  0.0000     0.0000  286.634    49.362  ?       ?       164.022 17.506  0.000000       17.50597 
1 1 1 5   12 46 o 29.926   14.136  -14.6284   19.398  0.0000     0.0000  -14.6284   19.398  ?       ?       29.926  14.136  0.000000       14.13641 
1 1 1 5   12 47 o 75.974   22.371  74.066     31.676  112.699    44.275  33.558     45.336  87.959  26.580  55.160  24.278  32.79958       35.99862 
1 1 1 5   12 48 o 88.656   22.622  101.395    35.134  87.848     47.899  117.173    51.693  72.400  27.485  82.474  28.975  -10.07384      39.93708 
1 1 1 5   12 49 o 53.829   18.193  34.203     20.316  37.240     23.002  23.432     43.324  55.218  19.332  50.416  22.841  4.801544       29.92432 
1 1 1 5   13 0  o 118.451  23.785  137.862    47.485  137.862    47.485  0.0000     0.0000  118.451 23.785  ?       ?       0.000000       23.78537 
1 1 1 5   13 1  o 183.369  22.351  322.002    70.082  322.002    70.082  0.0000     0.0000  183.369 22.351  ?       ?       0.000000       22.35107 
1 1 1 5   13 2  o 319.346  18.125  943.413    100.649 943.413    100.649 0.0000     0.0000  319.346 18.125  ?       ?       0.000000       18.12502 
1 1 1 5   13 3  o 227.303  13.286  466.438    52.502  466.438    52.502  0.0000     0.0000  227.303 13.286  ?       ?       0.000000       13.28630 
1 1 1 5   13 4  o 159.595  12.492  229.807    34.532  229.807    34.532  0.0000     0.0000  159.595 12.492  ?       ?       0.000000       12.49170 
1 1 1 5   13 5  o 138.591  10.720  172.126    25.740  163.311    29.342  201.563    53.620  134.294 12.663  144.591 21.926  -10.29752      25.32008 
1 1 1 5   13 6  o 170.633  10.378  260.124    30.774  224.264    35.015  381.871    64.517  157.423 12.851  202.200 18.478  -44.77698      22.50720 
1 1 1 5   13 7  o 130.447  10.403  152.481    23.498  124.074    26.551  255.141    50.474  116.620 13.276  165.339 17.762  -48.71836      22.17499 
1 1 1 5   13 8  o 90.617   11.774  74.719     18.189  77.941     20.279  61.461     41.134  92.201  12.954  79.007  25.866  13.19391       28.92838 
1 1 1 5   13 9  o 81.868   12.470  61.536     17.262  59.693     19.185  69.375     39.563  80.041  14.250  83.084  25.130  -3.043861      28.88910 
1 1 1 5   13 10 o 144.247  10.787  186.878    26.973  160.775    30.561  278.876    57.374  132.734 13.368  171.411 19.517  -38.67749      23.65675 
1 1 1 5   13 11 o 48.338   17.318  19.190     18.549  2.6374     21.971  60.264     34.610  41.139  17.494  77.808  23.498  -36.66870      29.29473 
1 1 1 5   13 12 o 89.584   13.642  74.285     20.664  69.609     29.395  78.854     29.055  84.151  20.251  90.168  19.052  -6.017212      27.80404 
1 1 1 5   13 13 o 71.243   15.551  48.288     18.802  38.523     26.429  58.293     26.753  63.712  20.727  77.022  19.788  -13.30937      28.65601 
1 1 1 5   13 14 o 68.348   16.423  44.882     19.355  23.629     26.851  67.870     27.925  54.785  20.629  83.124  19.565  -28.33863      28.43202 
1 1 1 5   13 15 o 115.250  14.905  123.728    29.292  115.824    49.704  127.933    36.257  104.565 27.027  115.285 18.648  -10.72008      32.83632 
1 1 1 5   13 16 o 262.797  17.466  650.332    79.690  0.0000     0.0000  650.332    79.690  ?       ?       262.797 17.466  0.000000       17.46640 
1 1 1 5   13 17 o 117.047  18.218  131.951    36.021  0.0000     0.0000  131.951    36.021  ?       ?       117.047 18.218  0.000000       18.21789 
1 1 1 5   13 18 o 229.923  13.070  483.816    52.254  365.522    88.749  546.581    64.647  184.936 28.391  242.334 15.358  -57.39780      32.27887 
1 1 1 5   13 19 o 112.766  12.065  116.628    23.387  95.415     30.997  144.661    35.634  98.651  18.679  122.987 17.052  -24.33604      25.29218 
1 1 1 5   13 20 o 131.954  11.767  159.187    26.827  140.785    34.868  185.883    41.997  121.183 16.942  138.936 17.715  -17.75303      24.51218 
1 1 1 5   13 21 o 46.704   16.489  18.935     16.757  -0.4692    19.706  69.618     31.847  37.251  16.209  82.046  21.843  -44.79529      27.20013 
1 1 1 5   13 22 o 64.604   16.314  40.932     18.407  37.222     23.044  47.473     30.597  61.362  19.292  68.255  22.306  -6.892780      29.49173 
1 1 1 5   13 23 o 67.884   16.229  45.278     18.975  49.037     22.879  36.994     33.963  69.814  18.479  62.669  23.279  7.144798       29.72179 
1 1 1 5   13 24 o 162.331  11.477  241.632    32.322  207.947    44.307  279.952    47.257  145.806 17.771  171.049 16.009  -25.24313      23.91848 
1 1 1 5   13 25 o 43.056   16.137  14.707     16.392  6.1235     23.595  22.716     22.790  42.878  18.177  51.218  19.061  -8.340321      26.33804 
1 1 1 5   13 26 f 130.485  11.901  157.805    26.818  136.884    37.484  179.742    38.384  116.404 19.105  135.854 16.521  -19.44948      25.25808 
1 1 1 5   13 27 o 68.141   20.589  48.927     26.567  26.568     34.244  82.731     42.106  56.736  22.736  84.514  25.998  -27.77837      34.53732 
1 1 1 5   13 28 o 58.311   20.172  34.254     25.007  11.771     31.931  69.922     40.217  49.470  21.064  77.709  25.582  -28.23877      33.13861 
1 1 1 5   13 29 o 103.820  15.472  105.666    27.191  112.767    32.414  88.801     49.953  105.114 18.327  84.033  28.527  21.08041       33.90657 
1 1 1 5   13 30 o 129.197  14.274  161.064    31.663  162.075    38.189  158.840    56.633  126.453 17.788  112.846 28.681  13.60688       33.74966 
1 1 1 5   13 31 o 96.498   15.783  92.812     25.673  80.517     41.744  100.291    32.558  81.021  26.021  97.009  19.889  -15.98801      32.75181 
1 1 1 5   13 32 o 147.937  13.564  210.696    34.647  170.074    56.892  234.644    43.682  115.673 28.381  152.704 16.653  -37.03095      32.90618 
1 1 1 5   13 33 o 73.841   24.561  66.553     37.035  66.553     37.035  0.0000     0.0000  73.841  24.561  ?       ?       0.000000       24.56119 
1 1 1 5   13 34 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 5   13 35 o 25.144   12.055  -18.0032   15.208  -11.6506   21.194  -24.7473   21.837  32.873  15.283  29.775  14.320  3.098743       20.94357 
1 1 1 5   13 36 o 71.204   17.359  54.457     21.386  31.095     35.013  68.360     27.011  55.390  22.697  77.839  19.821  -22.44910      30.13285 
1 1 1 5   13 37 o ?        ?       -51.6068   8.0557  -47.9595   9.3138  -62.4381   16.050  ?       ?       ?       ?       0.000000       ?        
1 1 1 5   13 38 o 30.582   13.699  -2.4273    15.088  7.3675     21.713  -11.5740   20.982  39.975  17.204  32.321  15.087  7.654461       22.88160 
1 1 1 5   13 39 o 28.509   13.753  -23.4356   20.510  0.0000     0.0000  -23.4356   20.510  ?       ?       28.509  13.753  0.000000       13.75285 
1 1 1 5   13 40 o 41.975   17.890  11.441     23.070  0.0000     0.0000  11.441     23.070  ?       ?       41.975  17.890  0.000000       17.88958 
1 1 1 5   13 41 f 60.147   20.953  45.549     27.005  0.0000     0.0000  45.549     27.005  ?       ?       60.147  20.953  0.000000       20.95338 
1 1 1 5   13 42 o 32.689   14.576  0.1381     16.879  15.049     26.633  -9.8716    21.821  44.161  19.029  32.764  15.324  11.39654       24.43192 
1 1 1 5   13 43 f 89.761   14.612  85.403     22.113  80.449     30.332  91.024     32.307  78.538  21.493  83.299  21.916  -4.761330      30.69678 
1 1 1 5   13 44 o 29.980   13.516  -1.5911    14.955  -5.5939    19.861  3.6498     22.725  32.268  14.930  37.314  16.756  -5.046181      22.44257 
1 1 1 5   14 0  o 28.808   12.729  -2.7455    12.583  -16.7970   15.950  20.412     20.476  26.981  12.768  49.222  18.114  -22.24091      22.16133 
1 1 1 5   14 1  o 115.543  13.137  124.326    26.033  133.810    31.953  105.604    44.896  118.300 15.869  98.063  25.853  20.23643       30.33477 
1 1 1 5   14 2  o 200.655  12.783  371.467    44.552  370.020    54.605  374.348    77.054  197.327 15.986  189.637 23.795  7.690216       28.66577 
1 1 1 5   14 3  o 77.832   14.936  58.294     19.559  51.760     23.571  72.741     35.047  71.670  18.655  82.609  23.292  -10.93912      29.84187 
1 1 1 5   14 4  o 142.178  12.550  186.975    30.836  171.839    37.503  218.558    54.176  133.675 16.413  146.068 21.918  -12.39296      27.38196 
1 1 1 5   14 5  o 235.622  12.845  513.107    52.646  433.125    63.796  683.852    93.211  211.590 17.422  261.189 20.606  -49.59906      26.98419 
1 1 1 5   14 6  o 134.222  12.762  167.353    29.550  157.444    35.137  191.295    54.617  127.966 16.081  134.059 24.224  -6.093613      29.07596 
1 1 1 5   14 7  o 127.253  12.694  150.593    27.829  124.689    32.970  214.773    51.896  112.831 17.286  145.075 21.106  -32.24323      27.28106 
1 1 1 5   14 8  f 30.784   12.921  2.4053     11.733  -4.0313    12.631  42.873     31.672  28.105  12.565  64.966  22.688  -36.86089      25.93562 
1 1 1 5   14 9  o 123.281  16.227  147.202    34.082  107.353    45.504  198.123    51.438  97.374  26.192  137.938 22.103  -40.56353      34.27206 
1 1 1 5   14 10 o 127.743  14.832  155.743    32.467  107.213    42.066  227.252    51.063  98.555  24.539  149.710 20.037  -51.15481      31.68025 
1 1 1 5   14 11 o 117.271  27.363  158.322    55.004  0.0000     0.0000  158.322    55.004  ?       ?       117.271 27.363  0.000000       27.36254 
1 1 1 5   14 12 o 121.798  15.768  143.838    32.747  118.679    42.290  181.518    51.754  104.096 23.787  129.548 23.755  -25.45153      33.61718 
1 1 1 5   14 13 o 45.415   17.060  17.040     18.340  1.3043     21.447  59.856     35.378  38.914  16.921  73.502  23.984  -34.58772      29.35254 
1 1 1 5   14 14 o 29.941   13.974  -13.6976   17.992  31.929     24.639  -65.8238   26.336  56.868  20.003  26.753  13.389  30.11523       24.07035 
1 1 1 5   14 15 o 74.403   20.085  58.764     26.702  75.518     37.647  41.803     37.879  81.247  24.501  63.870  24.395  17.37717       34.57437 
1 1 1 5   14 16 o 48.192   17.607  20.973     19.295  15.001     31.829  24.442     24.260  50.459  21.235  51.982  19.602  -1.523415      28.89908 
1 1 1 5   14 17 o 152.034  13.716  220.558    36.018  208.378    60.525  227.236    44.818  132.995 26.986  150.637 17.357  -17.64175      32.08615 
1 1 1 5   14 18 o 46.429   17.518  18.596     19.383  11.218     31.816  22.951     24.443  48.648  20.878  50.897  19.559  -2.249287      28.60809 
1 1 1 5   14 19 o 61.083   18.454  39.184     21.344  35.935     32.990  41.524     27.992  59.416  22.749  62.079  21.350  -2.662975      31.19778 
1 1 1 5   14 20 o 93.754   16.418  88.822     25.898  104.340    41.461  78.895     33.163  93.599  24.925  83.384  22.331  10.21542       33.46500 
1 1 1 5   14 21 o 55.519   19.257  31.937     22.797  18.150     31.128  47.886     33.480  50.467  21.105  64.890  23.264  -14.42366      31.41073 
1 1 1 5   14 22 o 35.428   15.483  0.9615     18.155  1.6451     22.903  -0.1944    29.780  39.266  17.270  42.887  19.225  -3.620525      25.84283 
1 1 1 5   14 23 o 60.202   20.684  39.987     26.271  40.252     29.929  39.096     54.839  60.250  21.941  62.280  27.070  -2.030262      34.84484 
1 1 1 5   14 24 o 58.094   19.396  36.745     23.090  21.361     26.320  88.135     48.106  49.540  19.904  79.749  27.956  -30.20831      34.31763 
1 1 1 5   14 25 o 94.675   20.753  101.021    33.361  91.353     39.934  123.353    60.695  84.576  25.173  88.259  31.357  -3.683525      40.21148 
1 1 1 5   14 26 f 84.786   17.321  76.357     24.776  51.579     35.453  100.009    34.638  64.653  23.829  92.629  21.782  -27.97628      32.28437 
1 1 1 5   14 27 o 115.545  15.404  136.189    30.304  101.834    44.411  166.122    41.454  86.036  26.739  121.928 20.177  -35.89221      33.49769 
1 1 1 5   14 28 o 59.761   18.956  40.378     22.206  28.066     30.236  54.793     32.717  52.583  21.261  65.953  23.058  -13.36970      31.36401 
1 1 1 5   14 29 o 32.045   14.412  -2.7059    16.886  5.9817     21.799  -15.7392   26.700  39.342  17.083  35.293  16.645  4.048893       23.85154 
1 1 1 5   14 30 o 49.099   17.824  25.550     19.730  15.742     27.580  35.831     28.236  45.920  19.565  55.491  21.093  -9.570507      28.77031 
1 1 1 5   14 31 o 70.641   21.176  61.888     28.185  71.068     35.312  45.773     46.786  72.155  23.982  59.029  25.325  13.12685       34.87815 
1 1 1 5   14 32 o 54.082   18.174  33.524     20.273  -8.9878    28.910  74.657     28.437  37.818  17.672  78.337  20.539  -40.51864      27.09459 
1 1 1 5   14 33 o 34.671   15.038  4.2061     16.852  -8.5716    22.121  21.880     26.016  33.481  15.582  47.158  19.471  -13.67702      24.93836 
1 1 1 5   14 34 o 25.502   12.219  -16.0668   15.572  9.5126     22.178  -40.9355   21.868  39.968  17.293  25.679  12.746  14.28883       21.48258 
1 1 1 5   14 35 o 51.473   18.240  31.415     20.524  60.643     30.394  6.9170     27.825  66.039  22.253  41.118  18.496  24.92100       28.93579 
1 1 1 5   14 36 o 22.824   11.157  -22.0868   14.741  -14.2126   17.660  -40.1802   26.769  27.784  13.230  29.128  14.393  -1.344053      19.54969 
1 1 1 5   14 37 f 20.553   10.158  -25.0220   13.357  -45.0410   18.409  -2.7655    19.410  21.818  10.958  32.730  15.004  -10.91199      18.57903 
1 1 1 5   15 0  o 91.274   12.729  80.512     19.735  77.147     22.773  90.660     39.546  87.385  15.493  85.585  24.938  1.800255       29.35872 
1 1 1 5   15 1  o 80.414   13.699  63.708     18.545  67.286     21.636  53.800     36.003  81.210  15.827  66.915  24.111  14.29462       28.84146 
1 1 1 5   15 2  o 41.656   15.126  15.680     14.210  7.1705     16.881  36.371     26.324  37.490  15.598  57.893  20.642  -20.40363      25.87289 
1 1 1 5   15 3  o 165.817  11.547  259.759    33.224  233.582    38.575  334.961    65.383  153.882 14.529  172.170 22.271  -18.28851      26.59127 
1 1 1 5   15 4  f 128.202  13.970  161.290    30.766  144.241    38.552  191.196    51.058  115.091 19.904  127.649 23.783  -12.55779      31.01283 
1 1 1 5   15 5  o 54.414   17.029  31.114     17.977  32.753     22.505  28.224     29.880  55.362  19.137  53.713  21.332  1.649246       28.65821 
1 1 1 5   15 6  o 42.169   15.847  15.669     15.828  9.3295     19.588  27.595     26.868  40.282  16.785  52.692  20.435  -12.41009      26.44465 
1 1 1 5   15 7  o 64.808   16.649  44.426     18.940  38.959     22.356  58.330     35.653  59.482  19.036  68.473  24.063  -8.990799      30.68242 
1 1 1 5   15 8  o 43.942   16.349  17.797     16.765  31.447     18.973  -30.8224   35.807  54.346  17.552  38.187  18.358  16.15952       25.39842 
1 1 1 5   15 9  o 25.252   11.515  -5.1816    11.237  -3.0342    11.993  -20.6215   32.158  27.236  12.206  38.078  18.051  -10.84223      21.79019 
1 1 1 5   15 10 o 126.375  13.096  156.098    28.477  114.568    33.582  262.405    53.729  101.754 19.613  153.126 20.620  -51.37228      28.45729 
1 1 1 5   15 11 o 122.924  11.141  143.677    23.653  118.026    26.469  245.339    52.695  108.550 14.314  146.931 21.149  -38.38137      25.53783 
1 1 1 5   15 12 o 64.040   17.954  45.273     20.884  24.691     24.331  102.866    40.701  49.918  19.422  88.807  25.122  -38.88904      31.75458 
1 1 1 5   15 13 f 102.913  15.541  109.125    27.056  86.454     32.482  160.488    48.892  84.975  21.789  111.489 25.649  -26.51395      33.65480 
1 1 1 5   15 14 o 57.888   15.477  35.447     15.946  35.519     17.772  35.151     36.119  57.233  16.730  56.160  23.037  1.073509       28.47054 
1 1 1 5   15 15 o 43.175   17.036  16.318     18.942  9.9793     23.034  29.557     33.291  41.742  17.835  53.300  22.018  -11.55841      28.33494 
1 1 1 5   15 16 o 31.347   13.409  2.9075     13.047  -0.7512    14.334  20.587     31.510  30.563  13.541  49.135  20.923  -18.57185      24.92295 
1 1 1 5   15 17 o 91.656   16.932  90.678     26.099  75.826     31.956  120.432    45.230  77.404  22.378  92.034  26.628  -14.63024      34.78294 
1 1 1 5   15 18 o 63.603   18.326  46.484     21.463  46.072     26.117  47.343     37.669  61.366  20.628  59.898  23.900  1.468266       31.57110 
1 1 1 5   15 19 o 120.902  14.465  150.321    29.930  157.896    36.815  135.557    51.398  118.895 18.322  92.459  28.771  26.43636       34.10951 
1 1 1 5   15 20 o 47.986   18.208  24.629     21.017  39.811     24.839  -13.6373   39.434  57.188  20.086  41.672  19.822  15.51675       28.21993 
1 1 1 5   15 21 o 64.004   19.271  49.479     23.304  20.335     28.971  102.908    39.227  47.167  20.073  85.327  24.830  -38.16061      31.92909 
1 1 1 5   15 22 o 73.470   17.091  60.903     21.511  42.434     31.232  77.573     29.671  56.803  22.031  78.099  21.210  -21.29642      30.58187 
1 1 1 5   15 23 o 35.902   15.514  5.9727     17.804  -20.3143   23.931  38.560     26.644  31.342  15.052  55.098  20.588  -23.75674      25.50365 
1 1 1 5   15 24 o 57.190   17.976  39.181     20.009  41.966     26.996  35.786     29.807  56.542  20.800  52.938  21.212  3.604408       29.70905 
1 1 1 5   15 25 o 44.304   17.275  20.847     19.281  21.292     24.325  20.095     31.625  45.410  18.795  46.365  20.345  -0.9556961     27.69750 
1 1 1 5   15 26 o 51.419   18.215  32.323     20.467  38.244     24.720  19.418     36.495  54.122  19.905  46.665  21.069  7.457779       28.98466 
1 1 1 5   15 27 o 33.124   14.758  2.0902     17.265  -7.1653    19.920  30.034     34.613  31.509  14.705  49.257  21.457  -17.74793      26.01238 
1 1 1 5   16 0  o 110.930  21.025  153.137    39.233  148.000    59.573  157.072    52.137  84.989  30.954  96.756  28.755  -11.76660      42.24964 
1 1 1 5   16 1  o 94.836   21.292  114.281    34.394  101.835    50.364  125.159    47.083  73.608  28.126  86.635  27.615  -13.02677      39.41619 
1 1 1 5   16 2  o 67.844   22.720  65.544     31.682  47.764     48.222  79.048     42.025  56.160  24.862  68.673  25.818  -12.51225      35.84291 
1 1 1 5   16 3  o 95.870   17.008  103.806    27.429  76.424     33.595  158.547    47.501  72.607  23.346  102.450 26.392  -29.84315      35.23574 
1 1 1 5   16 4  o 68.111   17.673  54.795     21.198  77.682     25.736  6.5048     37.384  80.488  18.674  43.941  20.385  36.54676       27.64481 
1 1 1 5   16 5  o 41.245   16.230  16.724     17.147  9.5398     21.360  29.745     28.757  39.028  16.929  49.705  20.492  -10.67683      26.57974 
1 1 1 5   16 6  o 82.366   16.545  76.775     22.969  61.933     28.463  104.488    38.893  67.085  21.480  82.801  24.888  -15.71613      32.87556 
1 1 1 5   16 7  o 86.034   13.525  77.645     19.648  77.755     22.762  77.325     38.914  83.096  16.270  68.293  24.996  14.80331       29.82465 
1 1 1 5   16 8  f 64.917   15.251  46.990     16.993  39.084     19.480  72.158     34.756  56.609  17.728  68.058  23.768  -11.44905      29.65119 
1 1 1 5   16 9  o 30.193   13.054  3.0965     12.620  14.527     14.300  -37.1636   26.837  38.637  14.929  29.443  14.523  9.194105       20.82796 
1 1 1 5   16 10 o 98.520   12.938  100.960    21.718  96.512     24.924  114.987    44.262  92.638  15.986  80.748  26.851  11.89066       31.24944 
1 1 1 5   16 11 o 53.037   16.073  33.011     16.172  23.821     17.683  79.998     39.984  45.410  16.811  67.210  25.200  -21.79977      30.29301 
1 1 1 6   0  0  o 663.390  27.860  3883.50    321.412 3883.50    321.412 3883.50    321.412 663.390 27.860  663.390 27.860  0.000000       0.000000 
1 1 1 6   0  1  o 626.617  26.626  3463.85    290.121 3463.85    290.121 3463.85    290.121 626.617 26.626  626.617 26.626  0.000000       0.000000 
1 1 1 6   0  2  o 195.996  14.668  341.489    49.552  341.489    49.552  341.489    49.552  195.996 14.668  195.996 14.668  0.000000       0.000000 
1 1 1 6   0  3  o 196.915  14.640  344.630    49.696  344.630    49.696  344.630    49.696  196.915 14.640  196.915 14.640  0.000000       0.000000 
1 1 1 6   0  4  o 120.529  14.031  132.081    28.484  132.081    28.484  132.081    28.484  120.529 14.031  120.529 14.031  0.000000       0.000000 
1 1 1 6   0  5  f 603.883  25.787  3217.65    270.780 3217.65    270.780 3217.65    270.780 603.883 25.787  603.883 25.787  0.000000       0.000000 
1 1 1 6   0  6  f 28.903   14.382  10.741     8.8001  10.741     8.8001  10.741     8.8001  28.903  14.382  28.903  14.382  0.000000       0.000000 
1 1 1 6   0  7  o 156.532  21.104  226.012    54.731  226.012    54.731  226.012    54.731  156.532 21.104  156.532 21.104  0.000000       0.000000 
1 1 1 6   0  8  o 286.643  23.808  735.482    117.269 735.482    117.269 735.482    117.269 286.643 23.808  286.643 23.808  0.000000       0.000000 
1 1 1 6   0  9  o 321.509  25.017  923.713    138.487 923.713    138.487 923.713    138.487 321.509 25.017  321.509 25.017  0.000000       0.000000 
1 1 1 6   0  10 o 162.136  21.130  241.823    57.011  241.823    57.011  241.823    57.011  162.136 21.130  162.136 21.130  0.000000       0.000000 
1 1 1 6   0  11 o 40.610   16.366  20.030     11.315  20.030     11.315  20.030     11.315  40.610  16.366  40.610  16.366  0.000000       0.000000 
1 1 1 6   0  12 o 233.662  15.459  484.053    62.439  484.053    62.439  484.053    62.439  233.662 15.459  233.662 15.459  0.000000       0.000000 
1 1 1 6   0  13 o 402.500  19.604  1430.34    137.028 1430.34    137.028 1430.34    137.028 402.500 19.604  402.500 19.604  0.000000       0.000000 
1 1 1 6   0  14 o 44.705   17.017  23.708     12.499  23.708     12.499  23.708     12.499  44.705  17.017  44.705  17.017  0.000000       0.000000 
1 1 1 6   0  15 o 719.021  29.909  4586.09    374.017 4586.09    374.017 4586.09    374.017 719.021 29.909  719.021 29.909  0.000000       0.000000 
1 1 1 6   0  16 o 132.412  14.192  158.653    31.861  158.653    31.861  158.653    31.861  132.412 14.192  132.412 14.192  0.000000       0.000000 
1 1 1 6   0  17 o 565.572  35.587  2872.49    348.247 2872.49    348.247 2872.49    348.247 565.572 35.587  565.572 35.587  0.000000       0.000000 
1 1 1 6   0  18 o 237.013  15.530  498.355    63.636  498.355    63.636  498.355    63.636  237.013 15.530  237.013 15.530  0.000000       0.000000 
1 1 1 6   0  19 o 304.020  15.460  815.967    81.583  815.967    81.583  815.967    81.583  304.020 15.460  304.020 15.460  0.000000       0.000000 
1 1 1 6   0  20 o 140.617  13.411  177.741    32.239  177.741    32.239  177.741    32.239  140.617 13.411  140.617 13.411  0.000000       0.000000 
1 1 1 6   0  21 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 6   0  22 o 396.257  28.034  1407.47    191.735 1407.47    191.735 1407.47    191.735 396.257 28.034  396.257 28.034  0.000000       0.000000 
1 1 1 6   0  23 o 299.743  24.360  806.642    125.558 806.642    125.558 806.642    125.558 299.743 24.360  299.743 24.360  0.000000       0.000000 
1 1 1 6   0  24 o 293.227  24.139  771.996    121.665 771.996    121.665 771.996    121.665 293.227 24.139  293.227 24.139  0.000000       0.000000 
1 1 1 6   0  25 o 500.793  21.303  2215.35    185.509 2215.35    185.509 2215.35    185.509 500.793 21.303  500.793 21.303  0.000000       0.000000 
1 1 1 6   0  26 o 175.930  13.560  275.661    41.086  275.661    41.086  275.661    41.086  175.930 13.560  175.930 13.560  0.000000       0.000000 
1 1 1 6   0  27 o 128.949  14.286  150.798    31.156  150.798    31.156  150.798    31.156  128.949 14.286  128.949 14.286  0.000000       0.000000 
1 1 1 6   0  28 o 491.454  21.095  2131.49    180.262 2131.49    180.262 2131.49    180.262 491.454 21.095  491.454 21.095  0.000000       0.000000 
1 1 1 6   0  29 o 317.107  15.946  887.074    87.784  887.074    87.784  887.074    87.784  317.107 15.946  317.107 15.946  0.000000       0.000000 
1 1 1 6   0  30 f 270.556  15.294  646.819    71.723  646.819    71.723  646.819    71.723  270.556 15.294  270.556 15.294  0.000000       0.000000 
1 1 1 6   0  31 o 514.638  21.619  2336.20    193.486 2336.20    193.486 2336.20    193.486 514.638 21.619  514.638 21.619  0.000000       0.000000 
1 1 1 6   0  32 o 564.894  24.629  2819.98    241.877 2819.98    241.877 2819.98    241.877 564.894 24.629  564.894 24.629  0.000000       0.000000 
1 1 1 6   0  33 o 386.885  19.220  1321.61    129.107 1321.61    129.107 1321.61    129.107 386.885 19.220  386.885 19.220  0.000000       0.000000 
1 1 1 6   0  34 o 316.041  25.516  894.996    138.695 894.996    138.695 894.996    138.695 316.041 25.516  316.041 25.516  0.000000       0.000000 
1 1 1 6   0  35 o 672.188  40.824  4060.65    475.094 4060.65    475.094 4060.65    475.094 672.188 40.824  672.188 40.824  0.000000       0.000000 
1 1 1 6   0  36 o 811.817  48.055  5964.70    675.714 5964.70    675.714 5964.70    675.714 811.817 48.055  811.817 48.055  0.000000       0.000000 
1 1 1 6   0  37 o 781.733  31.963  5426.36    434.628 5426.36    434.628 5426.36    434.628 781.733 31.963  781.733 31.963  0.000000       0.000000 
1 1 1 6   0  38 o 481.226  22.172  2046.79    185.399 2046.79    185.399 2046.79    185.399 481.226 22.172  481.226 22.172  0.000000       0.000000 
1 1 1 6   0  39 o 433.524  20.722  1660.99    156.039 1660.99    156.039 1660.99    156.039 433.524 20.722  433.524 20.722  0.000000       0.000000 
1 1 1 6   0  40 o 181.453  15.921  294.976    49.549  294.976    49.549  294.976    49.549  181.453 15.921  181.453 15.921  0.000000       0.000000 
1 1 1 6   0  41 o 343.057  18.348  1041.05    109.184 1041.05    109.184 1041.05    109.184 343.057 18.348  343.057 18.348  0.000000       0.000000 
1 1 1 6   0  42 o 664.135  28.106  3915.97    324.599 3915.97    324.599 3915.97    324.599 664.135 28.106  664.135 28.106  0.000000       0.000000 
1 1 1 6   0  43 f 175.533  16.341  277.007    49.086  277.007    49.086  277.007    49.086  175.533 16.341  175.533 16.341  0.000000       0.000000 
1 1 1 6   0  44 o 457.593  21.537  1854.09    171.210 1854.09    171.210 1854.09    171.210 457.593 21.537  457.593 21.537  0.000000       0.000000 
1 1 1 6   0  45 o 212.832  24.629  415.063    88.334  415.063    88.334  415.063    88.334  212.832 24.629  212.832 24.629  0.000000       0.000000 
1 1 1 6   0  46 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 6   0  47 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 6   0  48 o ?        ?       -390.9516  20.702  -390.9516  20.702  -390.9516  20.702  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 6   0  49 o 186.206  19.334  315.009    61.310  315.009    61.310  315.009    61.310  186.206 19.334  186.206 19.334  0.000000       0.000000 
1 1 1 6   0  50 o 277.449  17.783  685.906    85.336  685.906    85.336  685.906    85.336  277.449 17.783  277.449 17.783  0.000000       0.000000 
1 1 1 6   0  51 o 167.389  17.894  255.112    50.791  255.112    50.791  255.112    50.791  167.389 17.894  167.389 17.894  0.000000       0.000000 
1 1 1 6   0  52 o 160.888  17.941  236.580    48.796  236.580    48.796  236.580    48.796  160.888 17.941  160.888 17.941  0.000000       0.000000 
1 1 1 6   0  53 o 266.085  17.315  632.882    79.664  632.882    79.664  632.882    79.664  266.085 17.315  266.085 17.315  0.000000       0.000000 
1 1 1 6   0  54 o 28.388   18.916  -7.5019    25.403  -7.5019    25.403  -7.5019    25.403  28.388  18.916  28.388  18.916  0.000000       0.000000 
1 1 1 6   0  55 o 55.995   26.740  41.461     29.978  41.461     29.978  41.461     29.978  55.995  26.740  55.995  26.740  0.000000       0.000000 
1 1 1 6   0  56 o 38.678   24.697  4.5361     37.127  4.5361     37.127  4.5361     37.127  38.678  24.697  38.678  24.697  0.000000       0.000000 
1 1 1 6   0  57 o 136.994  29.638  192.331    62.172  192.331    62.172  192.331    62.172  136.994 29.638  136.994 29.638  0.000000       0.000000 
1 1 1 6   0  58 o 84.735   34.134  92.232     49.227  92.232     49.227  92.232     49.227  84.735  34.134  84.735  34.134  0.000000       0.000000 
1 1 1 6   0  59 o 54.320   30.242  39.295     42.546  39.295     42.546  39.295     42.546  54.320  30.242  54.320  30.242  0.000000       0.000000 
1 1 1 6   0  60 o 80.274   27.319  76.121     34.333  76.121     34.333  76.121     34.333  80.274  27.319  80.274  27.319  0.000000       0.000000 
1 1 1 6   0  61 o 142.596  18.566  192.489    44.060  192.489    44.060  192.489    44.060  142.596 18.566  142.596 18.566  0.000000       0.000000 
1 1 1 6   0  62 o 37.079   22.665  12.777     27.905  12.777     27.905  12.777     27.905  37.079  22.665  37.079  22.665  0.000000       0.000000 
1 1 1 6   0  63 o 40.046   23.712  18.672     28.655  18.672     28.655  18.672     28.655  40.046  23.712  40.046  23.712  0.000000       0.000000 
1 1 1 6   0  64 o 29.039   19.329  -5.1061    26.394  -5.1061    26.394  -5.1061    26.394  29.039  19.329  29.039  19.329  0.000000       0.000000 
1 1 1 6   0  65 o 35.388   22.099  10.233     27.926  10.233     27.926  10.233     27.926  35.388  22.099  35.388  22.099  0.000000       0.000000 
1 1 1 6   0  66 o 124.395  20.289  154.946    40.549  154.946    40.549  154.946    40.549  124.395 20.289  124.395 20.289  0.000000       0.000000 
1 1 1 6   0  67 o 53.786   30.593  45.501     44.755  45.501     44.755  45.501     44.755  53.786  30.593  53.786  30.593  0.000000       0.000000 
1 1 1 6   0  68 o 63.929   33.212  68.446     48.110  68.446     48.110  68.446     48.110  63.929  33.212  63.929  33.212  0.000000       0.000000 
1 1 1 6   0  69 o 59.551   32.948  62.240     50.147  62.240     50.147  62.240     50.147  59.551  32.948  59.551  32.948  0.000000       0.000000 
1 1 1 6   0  70 o 44.919   28.711  24.863     50.331  24.863     50.331  24.863     50.331  44.919  28.711  44.919  28.711  0.000000       0.000000 
1 1 1 6   0  71 o 48.448   30.244  38.289     52.258  38.289     52.258  38.289     52.258  48.448  30.244  48.448  30.244  0.000000       0.000000 
1 1 1 6   0  72 o 30.373   20.864  -11.6313   35.926  -11.6313   35.926  -11.6313   35.926  30.373  20.864  30.373  20.864  0.000000       0.000000 
1 1 1 6   1  0  o 600.414  18.051  3163.72    189.241 3032.20    267.621 3295.25    267.634 586.131 26.150  611.293 25.074  -25.16272      36.22871 
1 1 1 6   1  1  o 504.740  15.907  2233.34    140.190 2260.57    198.261 2206.11    198.255 506.785 22.405  500.593 22.682  6.191956       31.88200 
1 1 1 6   1  2  o 648.641  19.184  3695.65    217.271 3808.24    307.271 3583.08    307.265 656.549 26.804  636.605 27.643  19.94366       38.50388 
1 1 1 6   1  3  o 467.299  17.430  1916.34    142.217 2185.61    246.335 1781.72    174.177 496.108 28.558  449.869 22.174  46.23965       36.15560 
1 1 1 6   1  4  o 465.636  17.378  1902.88    141.286 1759.10    244.693 1974.79    173.046 443.901 31.780  473.794 20.917  -29.89301      38.04626 
1 1 1 6   1  5  o 685.047  23.284  4137.06    278.509 4205.78    482.386 4102.71    341.105 682.893 40.639  680.487 28.708  2.405212       49.75652 
1 1 1 6   1  6  o 298.498  13.192  780.416    68.755  553.369    119.011 894.159    84.234  248.468 27.915  319.350 15.106  -70.88203      31.74020 
1 1 1 6   1  7  o 152.093  11.203  203.537    29.541  243.123    51.170  183.747    36.180  165.396 18.009  144.049 14.586  21.34700       23.17496 
1 1 1 6   1  8  o 579.167  25.048  2965.77    253.299 3018.61    358.207 2912.93    358.230 579.610 35.566  569.029 36.244  10.58057       50.77956 
1 1 1 6   1  9  o 722.202  24.349  4610.71    307.049 4694.41    376.054 4443.29    531.832 726.561 29.643  698.126 43.852  28.43445       52.93093 
1 1 1 6   1  10 o 156.618  11.244  215.845    30.543  203.619    37.358  240.490    53.041  151.716 14.270  164.280 18.831  -12.56389      23.62736 
1 1 1 6   1  11 o 34.177   11.740  9.2944     8.4627  0.6027     11.873  18.271     12.066  30.649  12.938  45.590  13.898  -14.94076      18.98775 
1 1 1 6   1  12 o 195.864  11.770  337.265    40.067  369.525    69.510  321.212    49.033  203.823 19.780  190.729 14.840  13.09372       24.72842 
1 1 1 6   1  13 o 565.282  17.261  2811.42    170.368 2740.40    240.923 2882.46    240.952 555.811 24.825  570.261 24.199  -14.44983      34.66785 
1 1 1 6   1  14 o 352.032  12.594  1086.65    77.411  1074.67    109.466 1098.63    109.485 348.837 18.034  352.758 17.833  -3.921112      25.36198 
1 1 1 6   1  15 o 272.281  11.128  649.569    52.907  562.933    74.807  736.278    74.838  252.299 17.082  289.103 14.876  -36.80417      22.65109 
1 1 1 6   1  16 o 166.779  9.8392  244.396    28.526  249.681    40.342  239.111    40.341  168.058 13.872  164.390 14.193  3.667984       19.84645 
1 1 1 6   1  17 o 347.780  14.647  1063.19    88.946  1049.81    154.060 1069.88    108.936 342.174 25.980  347.819 17.999  -5.644928      31.60552 
1 1 1 6   1  18 o 372.903  14.997  1223.12    97.650  1106.22    169.010 1281.70    119.640 350.438 27.851  381.108 17.979  -30.67004      33.14972 
1 1 1 6   1  19 o 43.065   11.735  16.792     9.0647  17.395     13.056  16.231     12.595  45.132  14.558  43.818  14.311  1.313992       20.41477 
1 1 1 6   1  20 o 431.042  16.005  1636.75    120.456 1683.51    147.611 1543.54    208.400 436.246 19.379  413.434 29.053  22.81210       34.92324 
1 1 1 6   1  21 o 188.891  14.469  315.626    47.359  310.356    66.938  320.908    67.014  185.964 20.982  189.223 20.616  -3.259277      29.41539 
1 1 1 6   1  22 o 537.224  23.835  2570.62    223.581 2566.60    316.167 2574.65    316.215 530.221 34.335  531.089 34.283  -0.8674316     48.52015 
1 1 1 6   1  23 o 299.249  16.845  791.904    87.660  802.206    123.932 781.589    124.007 299.283 23.916  295.280 24.267  4.002899       34.07093 
1 1 1 6   1  24 o 265.355  22.963  630.069    105.346 630.069    105.346 0.0000     0.0000  265.355 22.963  ?       ?       0.000000       22.96317 
1 1 1 6   1  25 o 159.773  9.9351  224.438    27.579  253.546    38.995  195.306    39.011  169.415 13.289  148.233 15.292  21.18210       20.25920 
1 1 1 6   1  26 o 611.229  20.586  3305.03    219.706 3095.57    269.012 3724.61    380.747 589.178 26.149  640.737 34.156  -51.55957      43.01636 
1 1 1 6   1  27 o 156.910  14.693  218.171    39.787  155.042    54.966  287.653    57.666  129.957 25.132  179.664 18.654  -49.70673      31.29866 
1 1 1 6   1  28 o 348.474  13.851  1065.78    84.280  952.799    102.801 1297.40    147.189 328.411 17.996  382.300 22.145  -53.88901      28.53501 
1 1 1 6   1  29 o 288.190  10.702  727.282    53.851  707.223    75.891  747.625    76.426  283.320 15.399  291.378 15.073  -8.057648      21.54818 
1 1 1 6   1  30 o 274.813  12.749  662.107    61.176  615.692    74.531  757.951    107.100 264.173 16.237  292.229 21.132  -28.05576      26.64938 
1 1 1 6   1  31 o 281.675  11.191  694.887    55.039  654.009    77.176  737.197    78.516  272.301 16.307  289.277 15.602  -16.97617      22.56876 
1 1 1 6   1  32 o 259.671  11.331  590.598    51.377  573.519    72.406  607.917    72.913  254.928 16.353  262.553 15.981  -7.625214      22.86477 
1 1 1 6   1  33 o 43.737   15.897  13.729     15.700  14.256     18.374  12.302     30.219  46.043  17.118  53.381  21.370  -7.337334      27.38072 
1 1 1 6   1  34 o 533.876  23.169  2522.74    215.974 2234.23    304.994 2812.92    305.874 496.800 35.391  559.742 31.423  -62.94153      47.32829 
1 1 1 6   1  35 o 233.352  15.485  480.453    62.737  357.231    87.005  613.919    90.549  199.020 25.633  263.095 19.857  -64.07565      32.42466 
1 1 1 6   1  36 o 112.919  17.932  114.983    34.173  114.239    45.316  115.964    52.034  111.454 23.996  111.968 26.942  -0.5142365     36.07858 
1 1 1 6   1  37 o 671.299  19.820  3977.39    232.320 3865.93    328.462 4088.97    328.636 657.984 28.590  677.111 27.797  -19.12738      39.87504 
1 1 1 6   1  38 o 522.569  16.324  2402.41    148.947 2192.33    210.486 2613.12    210.800 496.911 24.259  543.237 22.224  -46.32645      32.90015 
1 1 1 6   1  39 o 119.491  11.825  126.383    24.347  90.889     33.549  165.877    35.390  99.718  19.965  136.561 15.094  -36.84261      25.02837 
1 1 1 6   1  40 o 590.855  17.936  3078.37    185.038 3023.50    261.548 3133.35    261.820 582.527 25.714  593.216 25.277  -10.68890      36.05756 
1 1 1 6   1  41 o 135.655  13.787  163.289    32.203  186.941    54.272  150.436    40.007  143.543 22.384  129.343 18.219  14.20053       28.86127 
1 1 1 6   1  42 o 244.924  11.303  526.002    48.337  532.592    67.608  519.111    69.137  245.440 15.861  242.185 16.447  3.254761       22.84846 
1 1 1 6   1  43 o 149.843  10.971  197.911    28.504  178.696    38.928  220.120    41.851  141.534 16.035  157.379 15.428  -15.84494      22.25208 
1 1 1 6   1  44 o 302.487  12.110  803.280    63.962  787.767    89.601  819.398    91.335  298.213 17.282  304.162 17.269  -5.949707      24.43103 
1 1 1 6   1  45 o 156.869  14.365  218.399    38.910  225.146    66.101  214.821    48.132  156.826 24.977  154.818 18.150  2.008133       30.87508 
1 1 1 6   1  46 o 113.574  20.860  118.163    39.843  71.251     56.509  164.539    56.185  90.695  30.343  133.465 25.029  -42.77019      39.33411 
1 1 1 6   1  47 o 446.906  31.203  1830.52    241.960 0.0000     0.0000  1830.52    241.960 ?       ?       446.906 31.203  0.000000       31.20321 
1 1 1 6   1  48 o 264.790  13.187  617.500    60.970  413.166    73.837  1055.40    108.092 214.530 19.940  344.421 18.037  -129.8906      26.88700 
1 1 1 6   1  49 o ?        ?       -310.2000  10.190  -319.8558  11.421  -272.4905  22.569  ?       ?       ?       ?       0.000000       ?        
1 1 1 6   1  50 f 191.962  11.907  325.686    39.713  308.476    53.893  346.134    58.746  185.670 16.806  196.627 17.286  -10.95702      24.10918 
1 1 1 6   1  51 o 249.788  11.836  549.848    51.624  552.280    71.346  547.177    74.790  248.727 16.522  247.262 17.435  1.465042       24.01968 
1 1 1 6   1  52 o 32.672   14.723  -8.7664    17.725  -15.4376   22.054  3.4054     29.790  34.774  15.960  48.640  20.511  -13.86595      25.98849 
1 1 1 6   1  53 o 303.789  12.164  815.829    64.522  792.453    90.185  840.341    92.351  296.983 17.468  305.905 17.361  -8.922272      24.62850 
1 1 1 6   1  54 o 124.253  12.550  138.154    26.855  124.450    35.705  156.007    40.752  116.303 18.177  130.411 18.408  -14.10830      25.87022 
1 1 1 6   1  55 o 43.631   17.619  8.2731     20.736  16.977     22.848  -32.3938   49.385  50.092  18.990  51.333  23.678  -1.240852      30.35228 
1 1 1 6   1  56 o 191.803  13.388  329.827    44.557  330.816    52.978  327.437    82.363  191.019 16.032  184.513 26.310  6.505676       30.81000 
1 1 1 6   1  57 f 292.610  18.131  784.866    92.180  801.556    127.167 766.386    133.811 289.216 25.441  280.521 27.680  8.695038       37.59532 
1 1 1 6   1  58 o 152.786  17.374  215.950    45.525  192.617    58.541  251.650    72.412  140.261 24.811  159.253 27.006  -18.99225      36.67334 
1 1 1 6   1  59 o 50.263   18.814  18.858     22.267  -12.5035   29.967  57.522     33.273  42.104  19.043  76.707  23.012  -34.60231      29.86934 
1 1 1 6   1  60 o 185.567  11.773  310.277    37.950  327.778    52.399  290.969    55.038  188.265 16.095  175.971 18.174  12.29323       24.27641 
1 1 1 6   1  61 o 145.743  12.516  193.382    31.540  178.848    42.114  211.946    47.597  137.184 18.017  149.041 18.702  -11.85672      25.96874 
1 1 1 6   1  62 o 180.945  11.784  297.235    37.027  284.973    50.593  311.380    54.337  173.721 16.893  181.255 17.382  -7.533157      24.23845 
1 1 1 6   1  63 o 76.676   17.368  57.688     22.713  53.694     29.056  63.964     36.421  72.602  21.439  78.099  24.205  -5.497009      32.33461 
1 1 1 6   1  64 o 81.687   18.851  67.076     26.342  79.103     29.888  25.229     55.750  88.288  19.868  64.625  27.683  23.66291       34.07468 
1 1 1 6   1  65 o 46.844   18.314  16.103     21.714  14.673     24.065  22.367     50.374  47.324  19.026  61.253  26.278  -13.92860      32.44264 
1 1 1 6   1  66 o 48.176   20.570  9.4890     30.601  17.346     39.036  -3.0380    49.289  54.907  23.333  53.328  24.240  1.579884       33.64471 
1 1 1 6   1  67 o 45.383   19.736  5.2669     29.182  0.0000     0.0000  5.2669     29.182  ?       ?       45.383  19.736  0.000000       19.73611 
1 1 1 6   1  68 o 54.641   24.760  5.8986     50.933  0.0000     0.0000  5.8986     50.933  ?       ?       54.641  24.760  0.000000       24.75992 
1 1 1 6   1  69 o 63.055   21.716  44.125     28.967  22.604     34.581  94.738     53.033  53.426  22.285  82.956  29.328  -29.52987      36.83461 
1 1 1 6   1  70 o 59.410   20.324  38.835     25.357  55.371     28.795  -18.2726   53.512  69.251  21.532  49.087  23.274  20.16428       31.70665 
1 1 1 6   1  71 o 69.590   21.743  57.610     29.323  78.657     47.135  44.322     37.452  74.558  27.476  61.186  24.014  13.37193       36.49168 
1 1 1 6   1  72 o 55.770   22.426  34.632     33.443  0.0000     0.0000  34.632     33.443  ?       ?       55.770  22.426  0.000000       22.42615 
1 1 1 6   2  0  o 180.504  11.504  286.303    36.068  267.260    62.441  295.838    44.185  172.995 21.109  183.228 13.915  -10.23224      25.28283 
1 1 1 6   2  1  o 296.893  13.383  772.157    69.379  665.909    120.145 825.310    84.979  273.363 25.464  306.315 15.944  -32.95200      30.04361 
1 1 1 6   2  2  o 336.801  14.307  994.247    84.140  1063.54    145.745 959.609    103.046 346.245 24.260  330.031 17.949  16.21414       30.17863 
1 1 1 6   2  3  o 457.905  17.041  1841.04    136.247 2020.36    235.958 1751.35    166.878 476.447 28.494  445.873 21.435  30.57416       35.65628 
1 1 1 6   2  4  o 430.131  16.450  1624.07    123.545 1714.94    213.975 1578.63    151.315 438.873 28.070  423.440 20.466  15.43253       34.73858 
1 1 1 6   2  5  o 723.357  20.917  4609.62    264.184 4496.49    373.605 4722.77    373.621 711.010 30.094  729.008 29.352  -17.99823      42.03761 
1 1 1 6   2  6  o 292.409  11.564  748.611    59.041  720.592    83.476  776.656    83.516  285.949 16.793  296.999 16.166  -11.05048      23.30928 
1 1 1 6   2  7  o 509.042  15.982  2275.06    142.049 2282.64    200.881 2267.48    200.895 508.453 22.627  506.742 22.705  1.710510       32.05447 
1 1 1 6   2  8  o 416.673  13.766  1522.37    100.155 1376.50    141.610 1668.37    141.670 394.616 20.624  435.406 18.635  -40.79031      27.79547 
1 1 1 6   2  9  o 317.861  13.997  886.238    77.684  892.381    95.116  873.930    134.630 318.128 17.187  313.136 24.827  4.991699       30.19559 
1 1 1 6   2  10 o 213.447  11.920  400.412    44.246  398.403    54.159  404.443    76.726  212.544 14.684  213.074 20.892  -0.5301971     25.53559 
1 1 1 6   2  11 o 241.200  12.558  511.402    52.706  524.966    64.546  484.263    91.302  244.000 15.226  232.861 22.746  11.13924       27.37170 
1 1 1 6   2  12 o 229.010  12.220  461.063    48.689  427.208    59.588  529.070    84.454  219.921 15.619  244.029 19.996  -24.10808      25.37343 
1 1 1 6   2  13 o 247.245  10.826  535.508    46.737  546.016    66.105  525.006    66.087  248.780 15.292  243.877 15.601  4.903259       21.84608 
1 1 1 6   2  14 o 238.025  10.485  496.278    43.575  541.694    61.663  450.975    61.586  247.918 14.305  225.900 15.711  22.01761       21.24840 
1 1 1 6   2  15 f 113.664  9.3278  113.858    18.349  128.592    25.973  99.176     25.927  120.423 12.536  105.266 14.490  15.15732       19.16017 
1 1 1 6   2  16 o 483.430  17.710  2061.45    149.495 2037.46    258.868 2073.45    183.116 474.482 31.424  483.599 21.686  -9.117767      38.18044 
1 1 1 6   2  17 o 384.713  15.088  1302.18    101.355 1252.58    175.336 1327.07    124.211 373.223 27.090  387.657 18.351  -14.43372      32.72016 
1 1 1 6   2  18 o 494.844  17.931  2161.88    154.932 2081.35    268.188 2202.21    189.810 478.644 32.278  498.106 21.824  -19.46207      38.96366 
1 1 1 6   2  19 o 73.337   11.649  48.331     14.418  52.833     18.226  40.803     23.569  76.316  14.200  67.112  19.163  9.204155       23.85126 
1 1 1 6   2  20 o 313.968  13.451  866.167    73.741  942.460    90.432  714.766    127.393 327.099 15.834  281.571 26.213  45.52832       30.62375 
1 1 1 6   2  21 o 144.820  14.180  186.128    35.397  163.470    50.285  208.383    49.837  133.972 22.278  152.360 19.157  -18.38771      29.38210 
1 1 1 6   2  22 f 254.799  15.787  573.791    69.892  574.846    98.828  572.736    98.857  253.441 22.569  252.960 22.621  0.4818878      31.95366 
1 1 1 6   2  23 o 356.112  14.752  1115.23    91.725  1118.97    158.699 1113.36    112.402 353.166 25.917  354.690 18.211  -1.524139      31.67491 
1 1 1 6   2  24 o 570.601  20.255  2880.34    201.803 2962.82    349.442 2839.06    247.190 570.193 35.272  564.524 25.078  5.668396       43.27805 
1 1 1 6   2  25 o 438.125  14.548  1686.86    111.289 1708.44    157.342 1665.25    157.432 439.503 20.503  433.835 20.783  5.668030       29.19431 
1 1 1 6   2  26 o 259.083  11.112  588.132    50.267  632.992    70.935  542.882    71.242  267.937 15.225  247.835 16.559  20.10222       22.49420 
1 1 1 6   2  27 f 601.699  17.935  3188.68    188.425 3084.83    266.438 3292.58    266.509 589.026 25.906  608.888 25.068  -19.86200      36.04859 
1 1 1 6   2  28 f 274.929  11.231  662.095    53.913  699.915    76.035  623.858    76.455  281.828 15.511  265.851 16.552  15.97629       22.68439 
1 1 1 6   2  29 o 707.690  20.366  4419.40    251.653 4378.21    355.839 4460.60    355.944 700.519 29.092  707.218 28.825  -6.699097      40.95358 
1 1 1 6   2  30 o 378.674  13.171  1257.44    87.087  1269.69    123.085 1245.15    123.233 379.689 18.566  375.965 18.772  3.723816       26.40246 
1 1 1 6   2  31 f 231.714  10.695  470.113    43.270  465.820    60.967  474.470    61.420  229.809 15.281  231.946 15.251  -2.137192      21.58913 
1 1 1 6   2  32 o 205.405  12.291  371.074    43.879  349.327    53.598  415.273    76.410  198.821 15.563  216.002 20.505  -17.18039      25.74275 
1 1 1 6   2  33 o 392.695  19.306  1359.26    132.379 1343.09    187.044 1375.48    187.381 387.432 27.835  392.199 27.537  -4.766937      39.15443 
1 1 1 6   2  34 o 386.219  18.871  1314.46    127.257 1204.61    179.527 1425.40    180.414 366.604 28.264  399.731 25.990  -33.12662      38.39697 
1 1 1 6   2  35 o 234.591  15.534  485.666    63.271  434.339    89.025  538.051    89.938  220.215 23.516  245.896 21.153  -25.68140      31.63039 
1 1 1 6   2  36 o 259.323  12.752  589.766    57.740  444.986    98.898  664.636    71.119  222.262 25.973  274.672 14.884  -52.40997      29.93582 
1 1 1 6   2  37 o 405.393  13.777  1442.64    97.523  1338.63    137.677 1547.38    138.162 388.744 20.354  418.848 18.892  -30.10483      27.77002 
1 1 1 6   2  38 o 126.263  11.029  140.741    24.071  80.726     32.633  212.367    35.651  93.793  20.499  154.995 13.302  -61.20195      24.43648 
1 1 1 6   2  39 o 912.353  25.836  7417.46    411.585 7143.62    581.951 7691.53    582.187 885.329 37.646  920.075 36.239  -34.74628      52.25404 
1 1 1 6   2  40 o 158.091  10.397  219.898    28.540  139.379    38.721  315.676    42.231  124.378 18.383  189.217 12.859  -64.83866      22.43417 
1 1 1 6   2  41 o 131.356  11.052  152.319    25.114  131.276    34.053  177.413    37.186  120.972 16.556  141.180 15.331  -20.20858      22.56422 
1 1 1 6   2  42 o 430.976  14.224  1633.29    107.035 1520.84    150.767 1747.56    151.983 413.644 20.943  444.373 19.588  -30.72833      28.67535 
1 1 1 6   2  43 o 310.897  12.037  848.458    65.344  744.308    91.287  957.898    93.577  289.647 18.142  329.603 16.260  -39.95590      24.36172 
1 1 1 6   2  44 o 226.513  17.140  455.694    67.289  0.0000     0.0000  455.694    67.289  ?       ?       226.513 17.140  0.000000       17.14010 
1 1 1 6   2  45 o 168.305  18.923  254.085    54.646  0.0000     0.0000  254.085    54.646  ?       ?       168.305 18.923  0.000000       18.92326 
1 1 1 6   2  46 o 369.360  19.289  1214.50    123.969 1147.42    174.738 1282.48    175.906 355.000 28.429  376.186 26.959  -21.18610      39.17880 
1 1 1 6   2  47 o ?        ?       -230.8705  11.036  -233.1388  11.456  -201.6484  41.119  ?       ?       ?       ?       0.000000       ?        
1 1 1 6   2  48 o 375.266  15.004  1244.32    98.310  1133.73    119.440 1476.64    173.110 356.334 19.268  404.037 24.656  -47.70297      31.29198 
1 1 1 6   2  49 o 258.076  12.036  586.428    54.236  565.060    74.421  610.633    79.206  251.721 17.032  261.587 17.441  -9.865601      24.37824 
1 1 1 6   2  50 o 155.509  12.531  214.617    33.738  178.301    43.851  267.296    52.814  140.274 18.343  172.349 17.807  -32.07465      25.56429 
1 1 1 6   2  51 o 31.113   14.313  -13.2262   17.879  -8.9125    21.741  -22.2372   31.422  36.824  16.473  41.283  18.985  -4.459526      25.13559 
1 1 1 6   2  52 o 94.060   15.679  80.762     24.844  72.385     30.982  95.851     41.583  87.881  20.557  100.548 24.015  -12.66713      31.61201 
1 1 1 6   2  53 o 112.909  14.174  115.024    27.329  107.562    34.764  127.095    44.217  107.726 19.185  116.192 22.608  -8.465889      29.65127 
1 1 1 6   2  54 o 208.311  13.715  387.861    49.607  402.777    58.565  349.980    93.328  211.430 15.982  190.439 28.981  20.99081       33.09564 
1 1 1 6   2  55 o 63.244   19.583  36.640     23.846  43.424     26.273  4.9347     56.798  68.290  20.439  64.611  27.815  3.678848       34.51735 
1 1 1 6   2  56 o 64.386   19.527  38.527     23.864  35.942     26.310  50.519     56.672  63.132  20.688  78.920  29.911  -15.78761      36.36808 
1 1 1 6   2  57 o 144.016  18.137  192.648    44.597  185.492    56.356  204.636    72.944  138.172 24.244  141.416 30.442  -3.244568      38.91632 
1 1 1 6   2  58 o 107.972  16.987  108.986    30.968  106.582    45.237  111.107    42.484  103.091 25.316  106.121 23.544  -3.029510      34.57146 
1 1 1 6   2  59 o 80.366   21.329  63.538     30.427  25.432     36.602  148.764    54.740  60.410  23.731  120.628 26.695  -60.21796      35.71821 
1 1 1 6   2  60 o 78.279   22.543  61.252     32.486  47.292     40.592  86.120     54.179  71.232  25.608  90.230  29.693  -18.99733      39.20990 
1 1 1 6   2  61 o 49.210   18.657  18.234     22.054  21.575     24.608  4.6025     49.708  52.426  19.748  58.272  25.539  -5.845795      32.28365 
1 1 1 6   2  62 o 79.600   19.769  63.449     27.353  79.025     39.130  48.566     38.250  86.513  24.688  70.209  24.899  16.30363       35.06341 
1 1 1 6   2  63 o 44.720   18.286  10.395     22.667  -18.9206   29.837  50.403     34.856  39.175  18.187  70.196  23.829  -31.02083      29.97666 
1 1 1 6   2  64 o 45.516   18.563  11.742     23.283  -3.3316    30.015  34.517     36.895  43.727  19.473  61.949  23.968  -18.22229      30.88149 
1 1 1 6   2  65 o 41.995   18.398  0.7333     25.772  14.371     38.494  -10.3459   34.696  53.927  23.049  44.250  20.200  9.677700       30.64766 
1 1 1 6   2  66 o 98.740   20.129  101.908    33.527  99.847     51.993  103.375    43.865  89.311  29.073  94.262  25.868  -4.950722      38.91508 
1 1 1 6   2  67 o 119.679  17.538  144.605    35.561  132.641    57.547  151.995    45.231  100.347 30.299  117.481 22.873  -17.13322      37.96264 
1 1 1 6   2  68 o 63.486   19.704  43.438     24.125  22.628     27.778  107.323    48.671  51.496  20.531  91.266  27.931  -39.77012      34.66511 
1 1 1 6   2  69 f 124.438  15.296  154.163    32.535  137.387    38.336  197.355    61.514  112.491 20.263  122.733 29.139  -10.24230      35.49197 
1 1 1 6   2  70 o 54.603   19.771  31.654     24.253  18.055     27.153  85.301     53.931  48.083  19.876  76.214  29.108  -28.13138      35.24683 
1 1 1 6   2  71 o 35.450   16.110  -4.4921    21.756  5.9494     29.860  -16.3076   31.764  43.927  19.500  38.617  18.195  5.310398       26.67002 
1 1 1 6   2  72 o 117.916  15.578  144.363    31.289  151.914    43.547  136.305    44.987  110.945 23.224  101.348 25.456  9.596809       34.45848 
1 1 1 6   3  0  o 495.140  18.019  2156.56    155.781 2200.92    269.869 2134.40    190.774 495.527 31.352  491.628 22.224  3.899872       38.42994 
1 1 1 6   3  1  o 413.278  15.938  1500.09    115.011 1521.72    140.846 1456.82    199.243 415.648 19.407  403.707 28.447  11.94086       34.43655 
1 1 1 6   3  2  o 650.372  21.977  3735.71    249.566 3648.57    305.636 3910.05    432.314 640.738 27.319  657.025 37.844  -16.28705      46.67408 
1 1 1 6   3  3  o 415.638  16.070  1517.76    116.625 1544.88    142.829 1463.48    202.020 418.707 19.536  404.379 28.800  14.32834       34.80089 
1 1 1 6   3  4  o 463.564  17.290  1890.15    139.945 1841.13    171.381 1988.25    242.440 456.587 21.497  471.195 29.618  -14.60818      36.59708 
1 1 1 6   3  5  o 419.161  14.006  1541.65    102.512 1578.47    144.989 1504.85    144.957 423.112 19.625  413.028 20.100  10.08377       28.09213 
1 1 1 6   3  6  o 430.484  14.187  1626.50    106.636 1644.18    150.806 1608.83    150.806 431.686 20.007  426.971 20.228  4.715607       28.45122 
1 1 1 6   3  7  o 272.852  11.178  652.182    53.253  624.330    75.313  680.031    75.310  265.965 16.296  277.741 15.592  -11.77600      22.55406 
1 1 1 6   3  8  o 119.334  9.4110  125.407    19.450  137.273    27.539  113.595    27.475  124.450 12.859  112.865 14.260  11.58514       19.20117 
1 1 1 6   3  9  o 219.012  12.052  421.789    45.910  457.804    56.229  349.762    79.519  227.892 14.201  197.241 23.555  30.65131       27.50502 
1 1 1 6   3  10 o 637.261  27.228  3624.58    302.969 3731.28    428.441 3517.86    428.485 638.563 38.607  619.044 39.853  19.51862       55.48714 
1 1 1 6   3  11 o 218.915  11.588  421.304    44.138  363.146    53.995  538.435    76.627  202.635 15.375  246.479 17.928  -43.84351      23.61791 
1 1 1 6   3  12 o 263.344  13.008  608.754    59.813  612.457    103.470 606.896    73.301  261.719 22.872  262.084 16.096  -0.3652039     27.96775 
1 1 1 6   3  13 o 456.800  17.276  1839.81    137.797 1867.07    238.587 1826.17    168.796 454.684 30.224  453.946 21.296  0.7377319      36.97324 
1 1 1 6   3  14 o 395.968  15.707  1380.38    108.599 1542.42    188.027 1299.27    133.031 414.764 26.096  382.671 19.979  32.09213       32.86592 
1 1 1 6   3  15 o 364.694  18.564  1178.04    117.823 1203.35    166.635 1152.73    166.618 366.015 26.248  357.962 26.853  8.053833       37.55085 
1 1 1 6   3  16 o 517.497  22.991  2381.83    207.746 2569.73    293.847 2194.06    293.748 532.251 31.763  489.984 34.556  42.26694       46.93633 
1 1 1 6   3  17 f 243.114  15.484  522.456    65.387  488.719    92.446  556.229    92.496  233.351 22.987  249.504 21.440  -16.15356      31.43381 
1 1 1 6   3  18 o 443.119  16.833  1731.52    130.239 1705.22    159.529 1784.08    225.526 438.580 20.832  444.484 29.222  -5.904602      35.88690 
1 1 1 6   3  19 o 61.917   12.448  34.845     12.991  39.770     16.154  25.830     21.857  65.990  14.423  55.942  18.871  10.04726       23.75110 
1 1 1 6   3  20 o 222.870  15.078  438.947    58.330  457.860    82.548  420.086    82.433  226.357 21.130  216.496 22.117  9.861252       30.58841 
1 1 1 6   3  21 o 36.083   11.816  10.944     8.5833  26.147     14.206  2.2043     10.772  53.694  14.716  30.331  12.526  23.36260       19.32518 
1 1 1 6   3  22 o 172.406  11.200  261.634    33.534  225.454    57.573  280.211    41.255  158.167 21.396  178.150 13.360  -19.98277      25.22428 
1 1 1 6   3  23 o 86.088   14.645  66.914     21.225  0.0000     0.0000  66.914     21.225  ?       ?       86.088  14.645  0.000000       14.64508 
1 1 1 6   3  24 o 96.438   11.718  82.709     19.327  73.990     32.921  87.293     23.873  89.698  21.331  98.700  14.267  -9.002113      25.66255 
1 1 1 6   3  25 o 222.903  11.257  436.390    43.673  453.101    74.894  427.780    53.759  225.884 19.170  220.318 14.048  5.566162       23.76603 
1 1 1 6   3  26 o 637.360  18.776  3579.78    208.959 3780.78    295.466 3378.66    295.559 652.261 25.943  615.938 27.482  36.32275       37.79280 
1 1 1 6   3  27 o 36.794   11.623  11.669     8.3550  0.7508     11.532  23.732     12.122  30.309  12.770  51.096  13.416  -20.78715      18.52161 
1 1 1 6   3  28 o 638.460  18.409  3589.75    205.218 3429.49    290.123 3750.23    290.323 621.073 26.753  649.969 25.581  -28.89648      37.01549 
1 1 1 6   3  29 o 311.582  11.887  850.641    64.673  867.691    91.308  833.476    91.615  313.699 16.730  307.358 17.139  6.340729       23.95112 
1 1 1 6   3  30 f 281.313  11.501  693.238    56.492  683.360    79.696  703.215    80.088  278.331 16.472  282.387 16.312  -4.055939      23.18233 
1 1 1 6   3  31 o 383.477  15.360  1291.66    102.849 1345.76    126.018 1183.74    177.984 390.900 18.463  363.467 28.267  27.43286       33.76273 
1 1 1 6   3  32 o ?        ?       -28.8854   5.2742  -29.1549   5.9405  -27.8822   11.462  ?       ?       18.590  9.2270  0.000000       9.226998 
1 1 1 6   3  33 o 704.848  29.542  4439.03    363.574 4478.62    514.188 4399.44    514.155 698.499 42.360  691.953 42.765  6.546387       60.19284 
1 1 1 6   3  34 o 488.045  21.987  2107.24    187.364 1959.64    264.764 2255.30    265.182 465.873 32.757  501.028 30.457  -35.15491      44.72829 
1 1 1 6   3  35 o ?        ?       -51.6525   5.7859  -66.8964   7.2533  -24.9811   9.5943  ?       ?       16.602  8.2732  0.000000       8.273237 
1 1 1 6   3  36 o 455.088  14.796  1819.76    117.568 1744.84    166.017 1895.13    166.518 444.069 21.411  463.029 20.596  -18.95959      29.70936 
1 1 1 6   3  37 o 377.174  13.003  1248.39    85.635  1153.80    120.804 1343.93    121.410 361.010 19.234  390.466 17.808  -29.45520      26.21175 
1 1 1 6   3  38 o 40.971   15.111  11.592     14.260  -1.1232    19.023  27.900     21.544  37.667  16.154  57.297  18.718  -19.62955      24.72433 
1 1 1 6   3  39 o 336.329  12.396  992.581    72.799  975.430    102.427 1010.09    103.488 332.074 17.729  337.970 17.597  -5.895905      24.97999 
1 1 1 6   3  40 o 746.053  21.434  4936.70    279.208 4750.28    394.608 5123.59    395.112 725.533 31.149  754.396 29.996  -28.86273      43.24360 
1 1 1 6   3  41 o 236.604  10.926  490.865    45.139  457.712    62.781  526.345    64.946  227.382 15.913  244.027 15.320  -16.64542      22.08910 
1 1 1 6   3  42 o 365.605  13.150  1174.74    83.947  1156.45    117.915 1193.53    119.538 361.045 18.769  366.815 18.726  -5.769806      26.51316 
1 1 1 6   3  43 o 335.879  15.003  993.982    87.987  1027.42    150.774 976.714    108.350 337.591 25.773  331.583 18.792  6.008789       31.89641 
1 1 1 6   3  44 o 394.967  19.952  1388.92    137.154 0.0000     0.0000  1388.92    137.154 ?       ?       394.967 19.952  0.000000       19.95228 
1 1 1 6   3  45 o 225.723  26.495  465.014    102.439 0.0000     0.0000  465.014    102.439 ?       ?       225.723 26.495  0.000000       26.49504 
1 1 1 6   3  46 o 343.128  14.289  1038.47    85.609  830.485    102.719 1511.52    154.910 304.964 19.391  410.719 21.678  -105.7550      29.08498 
1 1 1 6   3  47 o 315.060  13.882  875.740    76.366  663.422    91.099  1377.58    140.056 272.263 19.288  392.234 20.521  -119.9708      28.16283 
1 1 1 6   3  48 o 157.963  14.449  222.334    39.412  190.004    45.553  318.569    78.593  144.973 18.411  186.177 24.793  -41.20393      30.88110 
1 1 1 6   3  49 o 83.061   17.015  63.527     23.847  80.400     30.765  38.130     37.745  93.145  19.540  69.228  24.714  23.91621       31.50515 
1 1 1 6   3  50 o 226.779  11.643  454.603    45.949  413.851    62.481  502.600    67.808  214.905 16.784  237.050 16.485  -22.14493      23.52578 
1 1 1 6   3  51 o 95.656   18.799  84.840     30.279  67.594     46.896  97.168     39.652  85.802  27.583  101.457 22.923  -15.65584      35.86460 
1 1 1 6   3  52 o 33.568   15.005  -7.1914    18.004  -23.1810   21.216  33.960     34.036  31.424  14.826  65.169  23.447  -33.74538      27.74065 
1 1 1 6   3  53 o 206.035  15.817  382.428    56.466  382.428    56.466  0.0000     0.0000  206.035 15.817  ?       ?       0.000000       15.81653 
1 1 1 6   3  54 o 165.465  16.304  248.733    46.491  248.733    46.491  0.0000     0.0000  165.465 16.304  ?       ?       0.000000       16.30363 
1 1 1 6   3  55 o 221.561  24.606  467.821    93.582  467.821    93.582  0.0000     0.0000  221.561 24.606  ?       ?       0.000000       24.60566 
1 1 1 6   3  56 o 166.657  17.365  255.984    49.789  258.156    69.177  253.649    71.718  162.923 25.125  160.582 26.503  2.341873       36.51941 
1 1 1 6   3  57 o 31.632   14.731  -16.7894   19.818  -39.0165   25.134  19.741     32.222  31.057  15.040  56.130  22.196  -25.07395      26.81226 
1 1 1 6   3  58 o 165.971  13.905  251.061    39.925  185.217    62.052  297.578    52.155  134.525 27.349  179.065 16.880  -44.54060      32.13921 
1 1 1 6   3  59 o 62.906   20.329  37.474     25.449  -0.7225    34.875  80.986     37.222  49.039  21.445  89.408  23.525  -40.36987      31.83236 
1 1 1 6   3  60 o 177.261  17.174  296.311    52.488  243.692    67.920  374.330    82.703  153.370 26.310  191.611 25.341  -38.24081      36.52926 
1 1 1 6   3  61 o 32.473   14.967  -12.7036   19.679  -17.8604   21.190  19.624     53.055  32.278  15.098  63.331  27.064  -31.05331      30.99008 
1 1 1 6   3  62 o 61.724   18.604  37.632     21.710  24.272     27.034  61.895     36.433  54.311  20.641  76.564  24.280  -22.25255      31.86786 
1 1 1 6   3  63 o 80.405   17.020  63.874     23.150  42.313     29.847  96.436     36.679  64.732  22.050  95.698  22.354  -30.96606      31.39964 
1 1 1 6   3  64 o 32.381   15.340  -22.3657   23.146  -11.9196   36.273  -29.5413   30.063  44.809  20.529  36.265  17.266  8.543530       26.82512 
1 1 1 6   3  65 o 185.322  19.522  349.915    62.219  373.373    85.402  323.378    90.832  178.577 28.335  157.055 34.100  21.52216       44.33622 
1 1 1 6   3  66 o 114.828  14.283  127.312    28.019  117.454    36.448  141.551    43.808  105.115 20.595  113.271 22.937  -8.156319      30.82624 
1 1 1 6   3  67 o 33.634   15.172  -5.0890    18.875  -12.3405   22.908  10.243     33.310  34.530  15.997  48.656  21.123  -14.12634      26.49639 
1 1 1 6   3  68 o 45.735   18.278  16.440     22.068  19.317     25.332  7.3880     44.940  48.567  19.522  51.843  23.396  -3.275116      30.47092 
1 1 1 6   3  69 o 30.774   14.134  -7.8915    17.340  -7.2190    19.095  -11.0540   41.406  32.615  14.925  45.338  21.173  -12.72267      25.90486 
1 1 1 6   3  70 o 51.520   21.221  24.625     30.808  55.470     41.914  -11.6244   45.438  65.212  25.458  46.221  21.773  18.99130       33.49917 
1 1 1 6   3  71 f 49.065   18.342  24.999     21.152  27.604     23.869  15.468     45.648  50.974  19.390  51.416  23.354  -0.4422340     30.35390 
1 1 1 6   4  0  o 329.700  14.113  954.612    81.249  953.776    140.665 955.031    99.530  326.657 24.849  328.824 17.397  -2.167175      30.33334 
1 1 1 6   4  1  o 133.264  11.071  156.677    25.527  154.367    44.145  157.837    31.289  130.750 19.970  133.405 13.624  -2.655533      24.17453 
1 1 1 6   4  2  o 354.431  14.854  1104.07    91.927  1098.60    159.150 1106.81    112.613 350.177 26.219  353.805 18.292  -3.627350      31.96914 
1 1 1 6   4  3  o 331.680  14.051  966.286    81.374  932.763    140.844 983.082    99.697  322.803 25.188  333.624 17.173  -10.82050      30.48485 
1 1 1 6   4  4  o 466.168  17.222  1914.84    140.181 1805.37    242.768 1969.60    171.697 446.940 31.306  471.778 20.843  -24.83850      37.61004 
1 1 1 6   4  5  o 289.489  12.881  735.509    65.108  743.314    112.757 731.605    79.745  288.623 22.554  287.891 15.926  0.7315674      27.60966 
1 1 1 6   4  6  o 146.382  12.047  189.207    30.518  0.0000     0.0000  189.207    30.518  ?       ?       146.382 12.047  0.000000       12.04700 
1 1 1 6   4  7  o 560.566  23.303  2792.61    228.085 2416.65    322.361 3169.50    322.762 514.043 36.145  592.258 31.322  -78.21509      47.82863 
1 1 1 6   4  8  o 172.402  14.173  262.969    42.287  255.970    59.236  270.243    60.387  168.852 20.513  173.607 20.305  -4.755386      28.86290 
1 1 1 6   4  9  o 237.434  11.408  494.366    47.296  426.827    57.739  632.108    82.456  219.741 15.141  267.066 17.784  -47.32434      23.35644 
1 1 1 6   4  10 o 387.354  27.595  1350.69    185.421 1350.69    185.421 0.0000     0.0000  387.354 27.595  ?       ?       0.000000       27.59538 
1 1 1 6   4  11 o 420.035  20.092  1562.08    147.356 1553.77    208.412 1570.39    208.373 414.899 28.950  417.201 28.780  -2.302002      40.82174 
1 1 1 6   4  12 o 392.973  15.610  1359.79    107.107 1391.98    131.210 1295.51    185.428 396.799 18.938  378.970 28.225  17.82953       33.98954 
1 1 1 6   4  13 o 215.836  11.898  409.963    44.667  449.774    54.785  331.030    77.142  225.777 13.966  191.501 23.568  34.27614       27.39480 
1 1 1 6   4  14 o 329.480  13.958  954.235    80.299  1026.53    98.405  810.178    138.914 341.268 16.514  299.757 26.824  41.51178       31.50027 
1 1 1 6   4  15 o 177.418  11.409  277.164    35.155  296.396    43.147  239.182    60.636  183.179 13.587  162.797 21.886  20.38200       25.76044 
1 1 1 6   4  16 o 374.743  15.079  1235.48    98.668  1283.69    120.871 1139.18    170.819 381.331 18.153  355.628 27.728  25.70261       33.14223 
1 1 1 6   4  17 o 368.245  15.041  1192.84    96.712  1245.36    118.483 1087.98    167.409 375.640 18.064  347.517 27.823  28.12344       33.17252 
1 1 1 6   4  18 f 522.128  18.918  2407.80    172.473 2389.36    298.665 2417.02    211.260 512.862 33.537  521.617 23.195  -8.753906      40.77656 
1 1 1 6   4  19 o 175.528  13.056  271.905    39.729  0.0000     0.0000  271.905    39.729  ?       ?       175.528 13.056  0.000000       13.05635 
1 1 1 6   4  20 o 431.368  19.284  1642.90    145.245 0.0000     0.0000  1642.90    145.245 ?       ?       431.368 19.284  0.000000       19.28375 
1 1 1 6   4  21 o 434.976  19.235  1669.48    146.094 0.0000     0.0000  1669.48    146.094 ?       ?       434.976 19.235  0.000000       19.23549 
1 1 1 6   4  22 o 237.577  10.294  494.206    42.702  510.325    60.212  477.895    60.570  240.662 14.395  232.771 14.982  7.890686       20.77689 
1 1 1 6   4  23 o 331.637  12.153  963.988    70.376  1014.84    99.451  912.974    99.604  339.670 16.768  321.538 17.811  18.13190       24.46214 
1 1 1 6   4  24 o 271.806  11.233  647.128    53.312  659.912    75.322  634.294    75.468  273.582 15.835  268.139 16.195  5.442261       22.65043 
1 1 1 6   4  25 o 417.262  13.726  1527.46    100.002 1561.29    141.388 1493.59    141.460 420.870 19.240  411.553 19.685  9.316620       27.52608 
1 1 1 6   4  26 o 298.844  11.317  782.257    59.052  769.300    83.407  795.279    83.617  295.410 16.232  300.412 15.999  -5.002136      22.79132 
1 1 1 6   4  27 o 167.820  9.8254  247.328    28.666  244.670    40.284  250.054    40.799  166.408 13.994  168.240 14.016  -1.831955      19.80626 
1 1 1 6   4  28 o 476.755  14.878  1995.72    123.854 1790.22    174.802 2202.90    175.512 449.965 22.249  499.716 20.115  -49.75095      29.99369 
1 1 1 6   4  29 o 256.538  11.265  576.470    50.460  571.501    70.532  581.679    72.222  254.518 15.952  256.744 16.193  -2.225906      22.73057 
1 1 1 6   4  30 o 587.852  24.978  3067.07    256.379 2850.03    362.177 3285.06    362.974 560.006 37.252  602.971 34.621  -42.96478      50.85606 
1 1 1 6   4  31 o 908.502  36.546  7468.23    579.727 6933.08    819.603 8004.05    820.112 854.992 55.196  924.148 51.022  -69.15558      75.16489 
1 1 1 6   4  32 o 202.118  14.548  360.587    50.999  243.355    70.326  490.623    74.066  163.653 25.437  235.291 18.169  -71.63786      31.25925 
1 1 1 6   4  33 o 743.596  25.148  4915.62    326.516 4953.45    565.252 4896.67    400.002 731.501 44.466  738.715 31.011  -7.214172      54.21208 
1 1 1 6   4  34 o 229.849  12.094  464.507    48.367  269.508    81.525  570.419    60.082  171.592 28.189  254.558 13.566  -82.96634      31.28408 
1 1 1 6   4  35 o 113.413  11.332  113.851    22.141  121.937    29.538  103.482    33.449  116.875 14.806  106.803 18.613  10.07211       23.78413 
1 1 1 6   4  36 f 329.589  12.419  953.051    71.468  937.739    100.414 968.771    101.741 325.634 17.727  331.008 17.667  -5.374115      25.02760 
1 1 1 6   4  37 o 403.425  13.628  1429.69    95.995  1321.67    135.268 1539.29    136.253 385.976 20.141  417.471 18.692  -31.49463      27.47815 
1 1 1 6   4  38 o 153.451  10.414  207.294    27.737  176.831    38.490  240.205    40.006  140.822 15.934  164.721 14.044  -23.89883      21.23977 
1 1 1 6   4  39 o 141.857  11.114  177.547    27.309  183.125    37.600  171.318    39.730  143.433 15.247  138.390 16.785  5.043335       22.67642 
1 1 1 6   4  40 o 97.264   12.530  84.440     20.784  87.825     28.369  80.518     30.537  98.365  17.141  93.699  19.307  4.665901       25.81808 
1 1 1 6   4  41 o 250.905  16.622  558.143    72.406  641.743    103.884 479.160    100.974 267.505 22.449  229.925 25.585  37.58017       34.03743 
1 1 1 6   4  42 o 91.050   18.199  75.933     27.921  41.182     49.524  92.126     33.806  75.746  28.115  100.154 20.031  -24.40765      34.52132 
1 1 1 6   4  43 o 187.333  13.571  310.566    44.089  271.015    75.825  330.768    54.191  171.742 26.108  192.812 16.248  -21.07018      30.75093 
1 1 1 6   4  44 o 205.935  13.804  375.380    49.347  361.378    58.616  409.452    91.438  201.369 16.825  211.897 25.208  -10.52806      30.30751 
1 1 1 6   4  45 o 432.916  17.535  1663.20    132.547 1761.71    161.264 1458.09    232.701 444.089 20.797  395.382 34.039  48.70737       39.88936 
1 1 1 6   4  46 o ?        ?       -106.2856  25.500  -110.6462  31.170  -97.4624   44.338  26.421  13.387  37.484  18.523  -11.06332      22.85414 
1 1 1 6   4  47 o 158.815  13.736  224.457    37.716  188.694    44.718  312.582    70.197  144.447 18.130  185.144 22.154  -40.69743      28.62689 
1 1 1 6   4  48 o 58.480   17.626  30.811     19.487  24.554     25.386  39.788     30.407  56.420  20.254  67.553  22.245  -11.13354      30.08464 
1 1 1 6   4  49 o 310.920  13.809  856.601    74.968  752.870    90.796  1078.79    132.885 289.462 18.054  344.282 22.224  -54.81912      28.63338 
1 1 1 6   4  50 o 397.406  15.504  1408.01    107.581 1296.22    131.077 1638.75    188.313 378.296 19.914  420.462 25.775  -42.16605      32.57152 
1 1 1 6   4  51 o 233.944  15.774  491.671    64.060  491.671    64.060  0.0000     0.0000  233.944 15.774  ?       ?       0.000000       15.77445 
1 1 1 6   4  52 o 253.234  16.735  579.755    73.578  582.203    102.851 577.189    105.301 249.418 23.910  247.810 24.664  1.607849       34.35075 
1 1 1 6   4  53 o 140.076  16.584  179.460    39.774  164.609    53.098  198.445    60.037  130.896 24.121  143.649 24.835  -12.75352      34.62048 
1 1 1 6   4  54 o 150.248  16.591  207.025    42.799  255.010    58.805  152.980    62.408  164.753 20.913  122.797 29.480  41.95644       36.14416 
1 1 1 6   4  55 o 38.258   15.707  5.2027     16.810  16.879     20.766  -16.9963   28.632  48.344  18.154  39.801  18.237  8.543007       25.73219 
1 1 1 6   4  56 f 64.229   19.553  39.056     23.895  36.762     39.852  40.344     29.857  66.953  25.148  66.024  22.056  0.9280777      33.44973 
1 1 1 6   4  57 o 101.157  16.234  96.078     27.704  99.139     41.779  93.676     37.012  98.971  24.344  97.121  22.297  1.850006       33.01174 
1 1 1 6   4  58 o 51.381   18.560  21.994     21.354  21.491     29.693  22.532     30.732  54.971  21.437  55.963  21.813  -0.9922523     30.58323 
1 1 1 6   4  59 o 140.999  14.001  183.790    34.014  151.494    53.396  205.846    44.125  119.942 26.227  147.072 17.528  -27.13042      31.54497 
1 1 1 6   4  60 o 25.630   12.238  -19.0081   15.326  -26.5080   18.973  -4.9255    25.999  27.570  13.281  40.743  18.135  -13.17321      22.47827 
1 1 1 6   4  61 o 141.223  11.856  183.045    28.965  191.439    39.476  173.255    42.631  141.512 16.272  132.581 18.955  8.930344       24.98165 
1 1 1 6   4  62 o 64.089   20.228  41.797     25.310  33.759     43.224  45.991     31.223  63.102  25.453  66.766  22.554  -3.663872      34.00771 
1 1 1 6   4  63 o 59.891   20.646  35.982     26.184  46.547     42.814  29.669     33.095  67.333  25.883  57.936  22.621  9.397137       34.37511 
1 1 1 6   4  64 o 119.960  21.075  151.870    42.532  209.395    58.494  87.341     61.953  136.004 25.571  81.766  31.206  54.23791       40.34406 
1 1 1 6   4  65 o 67.076   19.345  47.893     23.906  47.276     27.944  49.575     46.167  65.869  21.304  67.012  26.547  -1.142647      34.03820 
1 1 1 6   4  66 o 80.648   17.431  67.450     23.830  75.560     30.508  54.758     38.164  82.499  21.096  68.254  24.788  14.24582       32.55005 
1 1 1 6   4  67 o 32.974   14.978  -5.9307    18.779  -4.9564    22.572  -8.1215    33.848  36.426  16.497  42.684  19.657  -6.258179      25.66220 
1 1 1 6   4  68 o 147.811  13.760  214.330    35.105  180.126    40.901  310.031    68.414  129.919 18.557  159.163 25.477  -29.24437      31.51873 
1 1 1 6   4  69 o 34.529   15.382  -0.8584    18.747  4.1095     20.371  -28.3443   47.915  37.861  16.477  44.012  21.178  -6.151756      26.83287 
1 1 1 6   4  70 o 34.451   15.387  -0.6186    18.889  -3.6705    20.509  16.439     48.486  34.472  15.656  52.051  23.806  -17.57907      28.49303 
1 1 1 6   5  0  o 338.633  14.505  1008.13    85.766  1007.80    105.066 1008.80    148.481 337.507 17.893  335.399 25.546  2.108673       31.18891 
1 1 1 6   5  1  o 86.643   10.945  66.835     16.188  58.553     19.851  83.276     27.971  80.374  14.686  95.745  17.371  -15.37064      22.74722 
1 1 1 6   5  2  o 221.985  12.310  433.708    47.527  412.862    58.224  475.333    82.274  216.043 15.538  230.811 20.632  -14.76779      25.82899 
1 1 1 6   5  3  o 121.802  11.154  131.144    23.458  119.881    28.733  153.654    40.622  115.883 14.519  130.701 18.302  -14.81802      23.36158 
1 1 1 6   5  4  o 174.075  11.285  266.793    34.116  298.978    41.824  202.797    58.976  184.063 13.099  149.341 23.384  34.72186       26.80303 
1 1 1 6   5  5  o 434.363  16.740  1662.85    126.961 1669.96    155.514 1648.65    219.848 434.266 20.509  427.288 29.651  6.977386       36.05262 
1 1 1 6   5  6  o 628.309  27.113  3532.37    297.451 3532.37    297.451 0.0000     0.0000  628.309 27.113  ?       ?       0.000000       27.11308 
1 1 1 6   5  7  o 163.924  14.137  237.886    40.069  237.886    40.069  0.0000     0.0000  163.924 14.137  ?       ?       0.000000       14.13745 
1 1 1 6   5  8  o 93.063   13.649  77.670     21.519  77.670     21.519  0.0000     0.0000  93.063  13.649  ?       ?       0.000000       13.64855 
1 1 1 6   5  9  o 226.914  15.371  455.082    60.541  424.032    85.777  485.901    85.459  217.347 22.949  233.260 21.214  -15.91249      31.25251 
1 1 1 6   5  10 o 64.901   15.323  38.539     17.086  23.143     25.262  51.519     23.195  55.919  20.189  74.940  17.961  -19.02100      27.02216 
1 1 1 6   5  11 f 202.144  10.813  359.115    38.029  391.254    65.996  343.139    46.530  209.802 18.196  197.198 13.597  12.60414       22.71449 
1 1 1 6   5  12 o 281.989  16.379  702.516    80.299  678.573    113.309 726.672    113.813 275.320 23.804  285.190 23.053  -9.870239      33.13721 
1 1 1 6   5  13 o 262.998  15.243  610.295    69.700  513.235    98.112  709.190    99.035  239.208 23.806  282.500 20.211  -43.29105      31.22857 
1 1 1 6   5  14 o 223.073  12.151  437.711    47.151  405.507    57.447  504.189    82.538  214.177 15.466  238.018 20.047  -23.84120      25.31900 
1 1 1 6   5  15 o 316.912  17.376  887.348    95.784  876.382    135.566 898.280    135.352 312.962 25.017  316.984 24.649  -4.021118      35.12016 
1 1 1 6   5  16 o 446.498  13.996  1750.35    109.113 1788.79    154.328 1711.93    154.291 450.149 19.635  440.263 20.071  9.886566       28.07777 
1 1 1 6   5  17 o 25.177   10.044  2.7338     6.6504  20.605     12.797  -3.8780    7.7841  48.110  14.235  21.786  9.7931  26.32343       17.27797 
1 1 1 6   5  18 o 413.555  15.649  1503.08    113.001 1473.72    195.695 1517.76    138.408 405.726 27.791  414.897 19.106  -9.170654      33.72500 
1 1 1 6   5  19 o 573.604  19.921  2902.79    199.524 2978.92    345.602 2864.72    244.361 574.104 34.639  568.266 24.627  5.837830       42.50118 
1 1 1 6   5  20 o 244.883  12.764  527.197    54.386  500.723    94.247  540.414    66.593  236.755 23.092  247.543 15.485  -10.78790      27.80347 
1 1 1 6   5  21 o 350.499  12.284  1076.74    75.179  1164.25    106.510 989.844    106.129 363.851 16.765  334.790 18.224  29.06119       24.76224 
1 1 1 6   5  22 o 138.473  9.6837  168.622    23.266  191.414    33.410  147.160    32.420  147.166 13.140  128.650 14.696  18.51576       19.71363 
1 1 1 6   5  23 o 154.523  9.8021  209.813    26.310  223.845    37.431  196.110    36.989  159.171 13.599  148.790 14.418  10.38055       19.81953 
1 1 1 6   5  24 o 162.361  9.6925  231.521    27.352  233.536    38.808  229.532    38.557  162.576 13.801  161.161 13.836  1.415039       19.54276 
1 1 1 6   5  25 o 437.276  13.667  1677.48    104.346 1807.75    147.692 1547.64    147.445 452.986 18.673  418.819 20.162  34.16708       27.48076 
1 1 1 6   5  26 o 602.682  17.131  3195.77    180.271 3436.28    255.013 2955.53    254.872 622.851 23.448  576.960 25.300  45.89044       34.49490 
1 1 1 6   5  27 o 276.536  13.365  670.852    64.535  559.562    111.262 727.275    79.223  249.650 25.901  287.222 15.858  -37.57172      30.37043 
1 1 1 6   5  28 o 675.611  28.299  4073.10    333.838 4344.19    472.262 3802.34    471.975 689.813 39.373  643.091 42.268  46.72205       57.76472 
1 1 1 6   5  29 o 200.433  15.193  355.008    52.776  403.197    75.311  308.508    73.979  212.683 20.535  185.151 23.406  27.53157       31.13742 
1 1 1 6   5  30 o 377.974  19.027  1263.52    125.169 1335.49    177.235 1191.91    176.798 386.346 26.432  364.343 28.005  22.00232       38.50892 
1 1 1 6   5  31 o 574.056  24.963  2930.84    250.217 3076.77    354.020 2785.18    353.699 582.110 34.993  552.574 36.871  29.53632       50.83275 
1 1 1 6   5  32 o 325.562  14.253  931.159    81.020  888.296    140.437 952.542    99.191  314.770 25.778  328.337 17.363  -13.56766      31.08059 
1 1 1 6   5  33 o 226.232  11.102  448.593    43.857  397.169    61.410  502.121    62.654  211.697 16.750  238.479 15.125  -26.78276      22.56841 
1 1 1 6   5  34 o 262.414  11.276  603.728    51.665  558.072    72.680  650.365    73.457  251.133 16.669  271.408 15.566  -20.27512      22.80698 
1 1 1 6   5  35 o 315.145  12.197  871.543    67.118  870.545    94.606  872.554    95.234  313.680 17.340  314.019 17.438  -0.3386536     24.59187 
1 1 1 6   5  36 o 245.861  11.304  530.171    48.529  508.190    67.691  553.417    69.610  239.582 16.278  250.115 16.024  -10.53273      22.84129 
1 1 1 6   5  37 o 257.435  11.595  581.540    52.122  535.519    72.694  630.231    74.773  245.746 17.047  266.893 16.121  -21.14680      23.46208 
1 1 1 6   5  38 o 62.599   18.219  35.344     21.118  15.782     26.787  67.466     34.326  52.624  20.405  85.517  22.634  -32.89358      30.47445 
1 1 1 6   5  39 o 193.613  13.653  331.438    45.861  290.746    76.423  354.339    57.332  178.496 25.223  199.639 16.598  -21.14378      30.19427 
1 1 1 6   5  40 o 221.282  13.899  432.842    53.428  337.953    88.346  487.557    67.085  191.912 27.120  234.333 16.501  -42.42044      31.74579 
1 1 1 6   5  41 o 99.178   20.420  90.655     34.183  112.004    51.836  74.226     45.472  109.254 27.261  89.994  26.879  19.26047       38.28392 
1 1 1 6   5  42 o ?        ?       -508.4446  25.619  0.0000     0.0000  -508.4446  25.619  ?       ?       ?       ?       0.000000       ?        
1 1 1 6   5  43 o 561.660  20.666  2818.93    202.673 2980.13    247.787 2493.11    352.279 574.675 24.694  511.417 39.763  63.25818       46.80679 
1 1 1 6   5  44 o 152.791  16.407  209.345    43.085  212.411    49.617  199.949    86.874  153.259 18.945  143.507 34.986  9.752258       39.78633 
1 1 1 6   5  45 o 368.146  15.464  1201.75    99.405  1109.17    120.758 1396.32    175.072 351.465 19.758  390.762 25.804  -39.29767      32.49984 
1 1 1 6   5  46 o 191.455  13.800  325.996    45.824  306.210    53.579  379.893    88.430  184.704 16.797  202.528 25.577  -17.82434      30.59898 
1 1 1 6   5  47 o 263.345  13.373  615.570    61.291  501.144    103.509 677.354    76.059  232.236 25.971  275.362 15.887  -43.12592      30.44456 
1 1 1 6   5  48 o 50.232   20.694  8.3518     29.303  0.0000     0.0000  8.3518     29.303  ?       ?       50.232  20.694  0.000000       20.69406 
1 1 1 6   5  49 o 492.602  17.542  2183.67    150.881 1787.57    259.832 2385.19    185.329 425.866 35.260  511.800 20.739  -85.93405      40.90656 
1 1 1 6   5  50 o 181.057  16.291  296.890    50.951  396.702    72.403  198.970    71.714  207.589 20.232  141.867 29.894  65.72197       36.09685 
1 1 1 6   5  51 o 231.924  16.470  487.871    66.262  616.020    93.965  361.111    93.454  257.784 21.060  192.145 28.738  65.63913       35.62852 
1 1 1 6   5  52 o 45.347   17.215  13.927     18.793  31.561     21.494  -43.3160   38.726  58.863  18.647  41.429  19.688  17.43330       27.11745 
1 1 1 6   5  53 o 53.677   17.407  25.863     18.647  34.654     23.143  9.5934     31.484  61.251  19.344  51.412  21.339  9.839268       28.80158 
1 1 1 6   5  54 o 37.980   15.489  5.7859     16.210  -1.5136    20.308  18.604     26.910  37.964  16.487  52.673  20.445  -14.70958      26.26393 
1 1 1 6   5  55 o 101.551  13.252  94.592     22.938  76.100     29.709  121.888    36.094  88.453  19.737  112.928 18.978  -24.47527      27.38087 
1 1 1 6   5  56 o 40.604   16.821  5.8320     19.510  -3.8278    25.716  18.931     29.946  41.367  18.242  53.909  21.373  -12.54200      28.09941 
1 1 1 6   5  57 o 169.890  13.191  264.356    38.823  240.072    62.460  279.646    49.560  153.990 24.013  172.416 16.670  -18.42607      29.23256 
1 1 1 6   5  58 f 106.980  15.890  108.758    28.780  93.515     42.817  121.321    38.871  93.520  25.513  109.997 21.005  -16.47707      33.04739 
1 1 1 6   5  59 o 67.046   18.912  45.040     23.099  45.968     33.592  44.208     31.815  67.638  23.381  66.485  22.765  1.152168       32.63290 
1 1 1 6   5  60 o 68.495   20.737  48.353     26.930  24.074     46.124  60.910     33.171  60.718  25.558  75.594  23.043  -14.87558      34.41267 
1 1 1 6   5  61 o 65.980   20.641  45.245     26.414  36.828     41.402  51.022     34.303  63.296  25.119  69.137  23.639  -5.840607      34.49292 
1 1 1 6   5  62 o 45.964   18.741  13.355     23.727  -6.2730    36.173  28.175     31.433  45.854  20.813  56.346  22.033  -10.49153      30.30880 
1 1 1 6   5  63 o 50.656   17.424  24.896     18.646  23.395     23.686  27.342     30.233  51.021  19.337  55.067  21.587  -4.045818      28.98187 
1 1 1 6   5  64 o 48.636   17.288  22.594     18.450  19.163     23.546  28.051     29.696  48.212  19.003  54.739  21.412  -6.527496      28.62896 
1 1 1 6   5  65 o 31.650   14.275  -4.6376    16.703  -7.1953    20.071  1.1251     30.126  33.685  15.371  43.502  19.431  -9.817608      24.77561 
1 1 1 6   5  66 o 69.244   18.147  51.898     22.206  50.190     28.498  54.538     35.428  65.790  21.529  66.871  23.936  -1.081207      32.19370 
1 1 1 6   5  67 o 43.473   17.001  16.244     18.716  19.729     23.166  9.6949     31.759  47.098  18.759  46.186  20.324  0.9123535      27.65781 
1 1 1 6   5  68 o 58.885   19.931  40.283     24.383  57.335     27.456  -23.3457   53.038  69.019  20.948  46.218  22.250  22.80090       30.55969 
1 1 1 6   5  69 o 43.959   17.770  17.061     21.120  17.642     23.542  14.668     47.805  45.065  18.555  50.832  23.392  -5.766483      29.85732 
1 1 1 6   6  0  o 664.100  19.561  3892.84    226.820 3636.09    320.727 4149.75    320.817 637.772 28.801  682.337 26.927  -44.56482      39.42825 
1 1 1 6   6  1  o 323.027  11.442  914.431    64.534  792.495    91.092  1037.29    91.437  299.467 17.497  343.542 15.243  -44.07495      23.20574 
1 1 1 6   6  2  o 436.545  13.763  1672.87    104.910 1530.66    148.291 1815.37    148.439 416.221 20.405  453.703 18.738  -37.48276      27.70280 
1 1 1 6   6  3  o 460.009  14.410  1858.50    115.745 1656.14    163.595 2061.31    163.780 432.078 21.754  483.289 19.409  -51.21133      29.15351 
1 1 1 6   6  4  o 131.210  10.325  151.690    23.464  122.396    28.396  214.749    41.663  117.230 14.160  155.538 15.549  -38.30754      21.03022 
1 1 1 6   6  5  o 307.424  13.010  829.084    69.838  714.944    85.329  1060.69    121.548 284.451 17.262  345.981 20.208  -61.52972      26.57698 
1 1 1 6   6  6  o 321.315  13.049  905.687    73.207  800.883    89.461  1118.13    127.370 301.167 17.083  355.167 20.627  -54.00049      26.78257 
1 1 1 6   6  7  o 760.913  21.498  5119.82    285.624 4812.64    403.890 5427.13    403.977 732.363 31.584  778.932 29.703  -46.56873      43.35691 
1 1 1 6   6  8  o 117.212  8.4981  120.810    17.274  83.763     24.182  159.416    24.685  96.564  14.815  134.508 10.596  -37.94376      18.21444 
1 1 1 6   6  9  o 249.544  11.991  545.775    52.249  444.969    90.098  596.851    64.133  222.920 23.502  260.382 14.159  -37.46133      27.43756 
1 1 1 6   6  10 o 276.482  10.497  669.334    50.676  613.545    71.551  725.484    71.783  263.788 15.604  287.484 14.300  -23.69598      21.16555 
1 1 1 6   6  11 o 184.021  8.8569  296.256    28.458  283.759    40.119  308.913    40.375  179.433 12.891  187.318 12.415  -7.884140      17.89704 
1 1 1 6   6  12 o 130.100  9.2192  148.840    20.807  113.896    29.313  184.327    29.540  112.868 15.266  144.564 11.806  -31.69567      19.29812 
1 1 1 6   6  13 o 403.685  12.854  1428.86    90.603  1511.95    128.184 1345.91    128.079 414.456 17.713  390.841 18.768  23.61444       25.80671 
1 1 1 6   6  14 o 138.468  10.539  168.840    25.290  158.519    43.746  174.020    30.995  132.735 19.453  140.311 12.792  -7.576004      23.28163 
1 1 1 6   6  15 o 174.251  10.792  266.895    32.672  303.581    56.607  248.567    40.010  184.894 17.752  167.767 13.780  17.12720       22.47292 
1 1 1 6   6  16 o 156.883  10.689  216.498    29.105  231.449    50.347  208.995    35.668  161.135 18.214  153.789 13.417  7.345901       22.62272 
1 1 1 6   6  17 o 300.366  12.573  790.871    65.943  825.539    114.152 773.507    80.786  304.940 21.578  296.311 15.670  8.628693       26.66796 
1 1 1 6   6  18 o 395.760  19.268  1380.52    133.145 1333.23    188.100 1428.01    188.493 385.903 28.109  399.771 27.165  -13.86792      39.09001 
1 1 1 6   6  19 o 133.065  11.755  156.337    27.031  138.715    33.196  191.020    46.570  124.706 15.586  146.101 18.683  -21.39550      24.33055 
1 1 1 6   6  20 o 234.526  12.694  483.609    51.787  466.029    63.526  518.436    89.414  229.738 15.935  241.320 21.444  -11.58215      26.71607 
1 1 1 6   6  21 o 332.555  12.174  969.314    70.689  1060.63    100.020 878.188    99.918  347.298 16.494  315.258 18.229  32.03970       24.58370 
1 1 1 6   6  22 o 214.888  10.296  404.294    38.633  408.151    54.559  400.415    54.711  215.113 14.612  213.027 14.801  2.085327       20.79859 
1 1 1 6   6  23 o 161.874  11.451  230.724    32.158  192.264    56.622  249.036    39.071  145.641 23.032  167.948 13.436  -22.30750      26.66420 
1 1 1 6   6  24 o 388.705  15.460  1327.94    104.929 1483.01    182.041 1250.78    128.406 407.624 25.709  375.983 19.627  31.64035       32.34451 
1 1 1 6   6  25 o 177.168  12.143  276.470    37.337  234.810    63.420  298.568    46.190  161.185 23.203  183.812 14.510  -22.62679      27.36589 
1 1 1 6   6  26 o 92.678   15.460  77.509     24.137  97.429     34.594  58.612     33.694  103.346 19.893  80.321  22.905  23.02509       30.33752 
1 1 1 6   6  27 o 343.701  18.106  1044.36    108.278 1072.26    153.146 1016.47    153.111 346.174 25.516  336.766 26.246  9.407959       36.60499 
1 1 1 6   6  28 o 378.392  19.084  1267.29    125.685 1253.34    177.875 1281.20    177.615 373.597 27.460  377.882 27.099  -4.285126      38.58012 
1 1 1 6   6  29 o 949.601  38.965  8256.41    646.063 7974.74    913.600 8538.16    913.741 906.730 58.009  941.761 55.816  -35.03131      80.50174 
1 1 1 6   6  30 o 156.437  10.807  215.493    29.337  153.182    40.001  288.022    43.157  130.567 18.027  180.547 13.794  -49.97958      22.69874 
1 1 1 6   6  31 o 447.299  14.484  1759.36    113.126 1695.48    159.544 1823.94    160.426 437.413 20.889  453.886 20.243  -16.47284      29.08836 
1 1 1 6   6  32 o 581.089  17.341  2979.64    175.942 2852.99    248.506 3106.94    249.136 565.283 25.177  590.420 24.166  -25.13696      34.89854 
1 1 1 6   6  33 o 615.465  17.910  3346.58    192.475 3203.58    271.903 3490.20    272.498 598.255 26.029  625.059 24.968  -26.80457      36.06831 
1 1 1 6   6  34 o 319.705  12.268  897.574    68.482  815.616    96.170  981.887    97.542  303.162 18.253  333.119 16.824  -29.95724      24.82385 
1 1 1 6   6  35 o 279.483  11.594  685.680    56.578  630.271    79.173  743.508    80.881  266.570 17.100  289.877 16.042  -23.30679      23.44711 
1 1 1 6   6  36 o 198.743  11.585  347.990    40.028  368.485    55.502  325.776    57.782  203.775 15.720  191.145 17.507  12.62993       23.52946 
1 1 1 6   6  37 o 344.887  14.727  1048.71    88.689  928.681    150.839 1112.13    109.643 319.731 27.280  354.387 17.719  -34.65576      32.52929 
1 1 1 6   6  38 o 316.409  25.705  907.276    140.788 907.276    140.788 0.0000     0.0000  316.409 25.705  ?       ?       0.000000       25.70536 
1 1 1 6   6  39 o 392.484  19.920  1375.66    136.069 1312.73    189.157 1443.15    195.879 378.789 28.816  397.499 28.409  -18.71045      40.46535 
1 1 1 6   6  40 o 489.682  20.375  2141.43    174.214 1590.96    243.062 2722.97    249.829 412.763 34.028  548.264 26.097  -135.5004      42.88341 
1 1 1 6   6  41 o 388.906  16.085  1340.79    109.225 1280.11    132.282 1470.81    193.626 377.893 20.120  400.461 27.865  -22.56836      34.36955 
1 1 1 6   6  42 o 34.985   16.837  -44.7371   30.320  -64.7079   38.143  -10.4593   49.971  37.673  18.311  57.833  25.470  -20.15953      31.36909 
1 1 1 6   6  43 o 73.215   24.496  46.582     36.829  40.399     46.437  57.066     60.468  73.468  27.234  84.876  31.144  -11.40710      41.37216 
1 1 1 6   6  44 o 185.254  17.450  309.168    55.780  292.947    76.430  327.654    81.593  177.287 25.418  187.589 25.577  -10.30167      36.05892 
1 1 1 6   6  45 o 112.365  16.529  115.026    31.461  104.086    36.950  143.864    59.990  105.580 20.783  121.922 28.663  -16.34216      35.40456 
1 1 1 6   6  46 o 168.215  12.419  251.986    36.219  230.119    48.683  279.094    54.203  159.045 17.838  175.277 17.965  -16.23236      25.31639 
1 1 1 6   6  47 o 329.795  12.861  966.370    74.062  896.457    103.054 1041.05    106.510 314.001 18.884  339.020 18.058  -25.01926      26.12853 
1 1 1 6   6  48 o 215.191  13.763  415.027    51.443  433.196    62.290  376.052    91.232  218.681 16.434  197.644 27.154  21.03741       31.73928 
1 1 1 6   6  49 o 165.459  14.227  247.139    40.702  241.673    49.252  258.912    72.286  162.179 17.679  163.354 26.231  -1.174789      31.63236 
1 1 1 6   6  50 o 213.082  13.842  409.368    51.221  391.408    61.177  451.473    93.670  206.622 17.111  216.204 25.291  -9.581299      30.53522 
1 1 1 6   6  51 o 130.932  13.425  155.641    30.257  155.532    40.411  155.780    45.645  128.743 18.509  127.504 21.250  1.238983       28.18091 
1 1 1 6   6  52 o 25.977   12.552  -26.4116   17.260  -17.7273   20.705  -46.1945   31.250  32.188  15.012  34.816  16.839  -2.628220      22.55901 
1 1 1 6   6  53 o 103.835  15.720  100.823    27.609  100.899    36.114  100.716    42.829  101.381 21.088  99.438  24.762  1.943481       32.52478 
1 1 1 6   6  54 o 208.110  12.116  392.200    43.837  406.490    61.123  377.064    62.905  208.378 16.946  199.590 18.252  8.787506       24.90627 
1 1 1 6   6  55 o 185.803  14.330  319.006    46.132  277.320    78.648  340.870    56.960  160.296 29.175  189.683 17.392  -29.38646      33.96506 
1 1 1 6   6  56 o 183.471  14.161  312.368    45.014  284.678    77.454  326.490    55.314  161.730 28.468  184.937 17.332  -23.20708      33.32859 
1 1 1 6   6  57 o 60.775   20.059  36.229     24.719  40.314     44.128  34.362     29.840  66.650  26.094  60.541  21.929  6.109299       34.08491 
1 1 1 6   6  58 o 69.169   22.263  50.000     30.543  0.0000     0.0000  50.000     30.543  ?       ?       69.169  22.263  0.000000       22.26254 
1 1 1 6   6  59 o 46.527   18.092  16.467     21.104  21.096     36.291  14.102     25.942  55.399  22.945  47.790  19.554  7.609077       30.14677 
1 1 1 6   6  60 o 108.385  16.463  116.120    30.176  143.516    51.037  101.395    37.417  110.759 26.702  96.244  22.644  14.51442       35.01072 
1 1 1 6   6  61 o 95.597   15.197  89.877     24.518  109.353    34.607  70.249     34.742  101.527 20.232  78.321  23.518  23.20634       31.02301 
1 1 1 6   6  62 o 64.893   18.394  44.666     21.797  56.110     30.655  32.963     30.999  70.278  22.270  57.354  22.030  12.92415       31.32525 
1 1 1 6   6  63 o 91.874   16.745  86.701     25.872  88.309     36.510  85.079     36.669  86.257  23.570  84.288  23.846  1.969673       33.52889 
1 1 1 6   6  64 o 119.220  13.648  139.247    27.900  207.486    41.032  80.573     38.048  141.870 16.897  79.901  24.736  61.96976       29.95608 
1 1 1 6   6  65 o 31.391   14.551  -9.8447    18.993  -16.9128   26.021  -1.7859    27.785  34.840  16.432  40.373  18.292  -5.533562      24.58821 
1 1 1 6   6  66 o 66.503   18.164  49.590     21.688  52.904     29.776  45.845     31.651  65.281  22.025  60.913  22.503  4.368591       31.48808 
1 1 1 6   6  67 o 22.638   11.048  -22.1762   14.286  -34.4270   17.764  0.2543     24.037  23.483  11.626  38.020  17.139  -14.53759      20.70957 
1 1 1 6   7  0  o 480.442  14.998  2026.14    125.817 1690.94    177.803 2362.32    178.062 436.612 23.408  517.758 19.696  -81.14648      30.59214 
1 1 1 6   7  1  o 665.879  22.306  3917.82    259.341 3727.42    317.525 4299.33    449.476 647.233 28.097  689.158 37.494  -41.92517      46.85328 
1 1 1 6   7  2  o 363.434  13.536  1158.30    85.899  1044.31    104.997 1389.02    149.374 344.133 17.532  396.038 21.683  -51.90460      27.88434 
1 1 1 6   7  3  o 65.205   11.022  38.250     12.102  30.027     13.728  66.918     25.632  57.372  13.859  85.668  17.721  -28.29573      22.49660 
1 1 1 6   7  4  o 367.289  14.348  1183.71    92.013  1049.43    112.462 1455.62    160.030 344.715 18.755  405.145 22.713  -60.42999      29.45597 
1 1 1 6   7  5  o 498.482  14.774  2181.13    128.593 1946.27    181.735 2416.62    181.981 469.297 22.178  523.552 19.907  -54.25555      29.80201 
1 1 1 6   7  6  o 496.116  14.790  2160.56    128.116 2075.02    181.115 2246.23    181.253 484.757 21.398  504.575 20.573  -19.81808      29.68348 
1 1 1 6   7  7  o 382.127  12.587  1279.90    83.986  1223.26    118.772 1336.53    118.775 372.763 18.248  389.778 17.452  -17.01508      25.25008 
1 1 1 6   7  8  o 112.965  8.6533  112.271    16.938  126.777    24.022  97.926     23.888  119.741 11.636  104.839 13.352  14.90186       17.71143 
1 1 1 6   7  9  o 263.713  10.289  608.782    47.377  577.626    66.931  640.070    67.073  256.054 15.036  269.697 14.294  -13.64331      20.74649 
1 1 1 6   7  10 o 450.405  13.946  1779.88    109.677 1673.45    155.095 1886.35    155.118 435.507 20.396  462.656 19.202  -27.14984      28.01245 
1 1 1 6   7  11 o 424.791  13.864  1583.15    102.835 1605.31    145.422 1560.98    145.440 426.726 19.517  420.734 19.798  5.992004       27.80050 
1 1 1 6   7  12 o 278.924  11.281  681.450    54.941  701.743    77.752  661.214    77.644  282.160 15.846  273.785 16.316  8.375061       22.74425 
1 1 1 6   7  13 o 109.564  10.433  106.046    19.718  118.253    33.779  99.737     24.285  114.659 17.421  105.795 13.451  8.863113       22.00911 
1 1 1 6   7  14 o 450.560  16.829  1785.60    132.395 1672.11    229.274 1842.38    162.164 431.300 30.644  456.887 20.327  -25.58701      36.77322 
1 1 1 6   7  15 o 289.829  15.715  740.344    79.230  0.0000     0.0000  740.344    79.230  ?       ?       289.829 15.715  0.000000       15.71491 
1 1 1 6   7  16 o 400.381  15.849  1409.11    110.802 1471.90    191.889 1377.70    135.713 405.656 27.249  395.168 19.669  10.48795       33.60633 
1 1 1 6   7  17 o 687.761  23.241  4191.46    279.092 4134.14    483.375 4220.13    341.827 671.238 41.445  687.573 28.472  -16.33496      50.28311 
1 1 1 6   7  18 o 222.195  11.807  433.933    45.643  440.280    79.028  430.756    55.910  222.322 20.592  220.991 14.571  1.331253       25.22591 
1 1 1 6   7  19 o 625.447  21.595  3461.10    235.836 3532.66    408.460 3425.32    288.845 622.443 37.761  620.045 26.680  2.398376       46.23534 
1 1 1 6   7  20 o 164.933  14.630  240.832    41.695  0.0000     0.0000  240.832    41.695  ?       ?       164.933 14.630  0.000000       14.63013 
1 1 1 6   7  21 o 160.682  14.090  228.463    39.131  0.0000     0.0000  228.463    39.131  ?       ?       160.682 14.090  0.000000       14.08971 
1 1 1 6   7  22 o 514.595  22.976  2349.52    206.445 0.0000     0.0000  2349.52    206.445 ?       ?       514.595 22.976  0.000000       22.97602 
1 1 1 6   7  23 o 700.015  29.333  4394.37    358.535 4208.29    506.912 4580.63    507.177 673.437 43.340  704.486 41.413  -31.04858      59.94480 
1 1 1 6   7  24 o 262.887  16.020  610.578    73.186  538.704    102.964 683.969    104.046 244.906 24.403  276.983 21.687  -32.07735      32.64700 
1 1 1 6   7  25 o 442.254  16.692  1723.47    128.897 1648.37    157.725 1874.47    223.657 431.371 20.940  456.535 28.195  -25.16382      35.12088 
1 1 1 6   7  26 o 240.565  12.745  509.469    53.344  478.351    65.058  573.315    93.188  232.492 16.126  253.444 21.254  -20.95126      26.67920 
1 1 1 6   7  27 o 172.542  10.447  261.868    31.326  257.525    43.445  266.571    45.210  170.468 14.741  173.397 15.083  -2.929626      21.08996 
1 1 1 6   7  28 o 249.776  11.161  547.174    48.677  547.435    68.401  546.906    69.286  248.771 15.829  248.606 16.047  0.1652374      22.54060 
1 1 1 6   7  29 o 236.957  10.988  492.467    45.463  503.529    64.089  481.262    64.503  238.578 15.468  233.125 15.942  5.453094       22.21277 
1 1 1 6   7  30 o 297.651  11.649  777.672    60.540  780.173    85.306  775.134    85.930  296.877 16.522  295.870 16.702  1.006897       23.49319 
1 1 1 6   7  31 o 277.807  11.575  677.550    56.147  695.395    79.186  659.508    79.622  280.231 16.253  272.747 16.801  7.483307       23.37597 
1 1 1 6   7  32 o 139.283  11.236  171.390    27.093  153.019    38.348  189.700    38.283  130.454 17.259  145.896 15.253  -15.44197      23.03348 
1 1 1 6   7  33 o 249.186  13.444  548.159    58.276  537.974    70.625  569.890    103.162 246.159 16.527  251.202 23.804  -5.043304      28.97893 
1 1 1 6   7  34 o 364.461  15.271  1172.81    97.178  1110.81    118.532 1299.94    169.720 353.019 19.303  378.999 25.800  -25.98004      32.22204 
1 1 1 6   7  35 o 192.275  16.447  329.536    54.687  342.554    75.434  315.115    79.396  194.326 22.657  185.465 25.167  8.860458       33.86377 
1 1 1 6   7  36 o 326.428  19.186  952.068    108.870 1089.27    151.406 805.180    156.661 346.431 25.203  294.729 30.902  51.70197       39.87606 
1 1 1 6   7  37 o 421.668  20.645  1590.99    152.005 0.0000     0.0000  1590.99    152.005 ?       ?       421.668 20.645  0.000000       20.64543 
1 1 1 6   7  38 f 30.060   14.507  -35.5016   22.878  1.3846     27.303  -122.4325  41.915  45.997  19.529  32.961  16.552  13.03564       25.59958 
1 1 1 6   7  39 o 258.325  16.710  595.981    74.969  521.979    105.208 672.321    106.857 238.025 25.723  271.928 22.713  -33.90285      34.31578 
1 1 1 6   7  40 o 133.656  13.823  159.767    31.793  158.217    38.368  163.162    56.796  132.199 17.017  131.560 25.646  0.6382294      30.77843 
1 1 1 6   7  41 f 70.024   18.400  45.559     22.791  44.537     26.425  48.529     45.034  69.574  20.418  76.338  27.022  -6.764122      33.86882 
1 1 1 6   7  42 o 133.904  13.570  160.640    31.288  136.251    37.068  221.069    58.348  122.011 17.935  154.386 22.291  -32.37448      28.61008 
1 1 1 6   7  43 o 52.556   18.171  22.813     20.290  35.117     23.288  -15.9559   41.338  62.278  19.364  50.223  22.572  12.05543       29.74013 
1 1 1 6   7  44 o 277.395  11.965  682.320    57.952  675.979    81.103  688.935    82.837  273.446 17.072  275.948 17.279  -2.501770      24.29039 
1 1 1 6   7  45 o 103.967  15.093  98.818     26.598  121.610    32.523  52.789     46.218  115.019 16.681  77.480  27.381  37.53928       32.06178 
1 1 1 6   7  46 o 136.030  13.817  167.287    32.363  178.259    39.120  143.494    57.605  139.534 16.367  119.910 28.018  19.62382       32.44847 
1 1 1 6   7  47 o 155.116  13.450  217.269    36.069  206.723    43.657  239.949    64.021  149.818 16.989  157.750 24.000  -7.931320      29.40442 
1 1 1 6   7  48 o 84.011   17.349  66.819     24.606  52.495     29.307  101.037    45.298  73.759  21.462  100.298 25.738  -26.53880      33.51164 
1 1 1 6   7  49 o 126.923  12.355  145.868    27.033  131.498    36.769  162.777    39.883  117.906 18.466  131.752 17.792  -13.84672      25.64264 
1 1 1 6   7  50 o 131.114  12.656  156.324    28.614  184.736    39.887  126.196    41.073  140.743 16.547  113.502 21.512  27.24088       27.13963 
1 1 1 6   7  51 o 96.509   14.510  86.822     23.694  88.222     33.061  85.344     33.976  94.513  20.614  92.526  21.448  1.986557       29.74843 
1 1 1 6   7  52 o 89.067   15.951  75.529     23.896  100.437    34.993  53.765     32.710  100.547 20.624  73.092  22.986  27.45403       30.88208 
1 1 1 6   7  53 o 54.005   18.429  26.797     20.848  43.811     28.875  8.2696     30.133  66.492  21.667  48.688  20.585  17.80415       29.88621 
1 1 1 6   7  54 o 97.986   19.205  95.709     31.683  146.051    51.311  64.687     40.278  116.191 25.947  77.736  25.603  38.45515       36.45187 
1 1 1 6   7  55 f 37.629   16.973  -7.3231    23.621  -4.7101    36.481  -9.2094    30.996  47.332  21.244  42.533  19.290  4.799335       28.69525 
1 1 1 6   7  56 o 52.206   21.779  16.024     33.033  0.0000     0.0000  16.024     33.033  ?       ?       52.206  21.779  0.000000       21.77865 
1 1 1 6   7  57 o 44.829   19.349  5.5706     27.632  0.0000     0.0000  5.5706     27.632  ?       ?       44.829  19.349  0.000000       19.34948 
1 1 1 6   7  58 o 52.444   18.956  26.250     22.278  14.766     41.245  30.981     26.472  54.077  23.490  56.203  20.609  -2.126553      31.24940 
1 1 1 6   7  59 o 135.983  12.704  175.504    29.815  196.463    42.214  154.641    42.117  138.852 17.823  120.009 20.856  18.84219       27.43438 
1 1 1 6   7  60 f 57.371   18.505  34.714     21.095  24.396     28.782  46.688     31.007  52.336  20.889  64.259  22.449  -11.92299      30.66405 
1 1 1 6   7  61 o 58.139   18.485  36.342     21.107  55.940     28.903  13.948     30.896  69.550  21.564  48.125  20.611  21.42516       29.82977 
1 1 1 6   7  62 o 40.679   16.693  11.001     18.976  20.485     28.471  3.4216     25.453  49.403  20.381  41.020  18.116  8.382786       27.26842 
1 1 1 6   7  63 o 90.053   16.817  85.949     25.471  107.060    36.301  65.476     35.749  94.416  22.364  70.847  24.132  23.56860       32.90138 
1 1 1 6   7  64 o 50.504   18.428  27.513     21.129  62.790     31.054  -2.8942    28.831  70.204  22.432  39.965  18.307  30.23881       28.95471 
1 1 1 6   7  65 o 43.930   17.501  17.933     20.170  31.969     29.734  5.9699     27.452  52.786  21.174  41.607  18.569  11.17925       28.16275 
1 1 1 6   8  0  o 494.626  21.741  2162.03    187.770 1991.90    265.218 2333.01    265.878 470.252 32.500  510.230 29.975  -39.97806      44.21284 
1 1 1 6   8  1  o 532.616  18.587  2498.92    172.854 2377.92    299.144 2559.57    211.790 513.417 33.554  537.910 22.549  -24.49207      40.42688 
1 1 1 6   8  2  o 226.638  11.991  451.373    47.284  462.340    81.448  445.798    58.072  227.941 20.690  224.834 14.877  3.106995       25.48292 
1 1 1 6   8  3  o 185.037  11.661  301.171    37.484  267.407    63.809  318.962    46.319  172.645 21.643  190.132 14.052  -17.48662      25.80433 
1 1 1 6   8  4  o 475.441  21.743  1998.46    180.499 0.0000     0.0000  1998.46    180.499 ?       ?       475.441 21.743  0.000000       21.74285 
1 1 1 6   8  5  o 608.361  20.305  3267.23    215.689 2805.20    373.264 3498.84    264.278 554.459 38.800  628.140 24.096  -73.68048      45.67316 
1 1 1 6   8  6  o 209.669  11.893  386.512    43.361  338.396    74.388  411.275    53.365  194.330 22.329  215.985 14.230  -21.65451      26.47760 
1 1 1 6   8  7  o 170.005  11.035  254.230    32.578  234.531    55.933  264.345    40.078  161.768 20.246  173.071 13.366  -11.30322      24.25976 
1 1 1 6   8  8  o 267.964  11.140  629.068    52.121  636.249    90.772  625.536    63.662  267.835 19.545  266.624 13.721  1.210724       23.88032 
1 1 1 6   8  9  o 280.350  12.528  689.243    61.326  768.507    106.786 650.236    74.911  294.147 20.928  271.482 15.872  22.66476       26.26618 
1 1 1 6   8  10 o 402.792  18.878  1431.04    132.766 0.0000     0.0000  1431.04    132.766 ?       ?       402.792 18.878  0.000000       18.87750 
1 1 1 6   8  11 o 182.404  14.790  294.221    46.698  0.0000     0.0000  294.221    46.698  ?       ?       182.404 14.790  0.000000       14.78963 
1 1 1 6   8  12 o 383.822  18.559  1299.38    124.377 0.0000     0.0000  1299.38    124.377 ?       ?       383.822 18.559  0.000000       18.55875 
1 1 1 6   8  13 o 476.911  15.993  2001.08    133.173 2082.85    231.036 1960.39    162.972 482.187 27.555  471.069 19.814  11.11801       33.93946 
1 1 1 6   8  14 o 322.853  13.052  914.787    73.576  1120.96    127.998 813.048    89.915  355.398 20.716  303.346 17.045  52.05237       26.82716 
1 1 1 6   8  15 o 398.520  13.057  1393.98    90.856  1465.44    128.649 1322.87    128.330 407.612 18.076  387.074 18.988  20.53833       26.21571 
1 1 1 6   8  16 o 205.096  9.4744  368.297    33.929  393.141    48.200  343.897    47.768  211.220 13.134  197.371 13.951  13.84897       19.16078 
1 1 1 6   8  17 o 469.847  13.887  1939.48    113.925 2086.76    161.301 1792.88    160.929 486.028 19.007  450.082 20.478  35.94568       27.93919 
1 1 1 6   8  18 o 222.682  10.020  434.375    38.959  478.931    55.801  392.002    54.417  233.076 13.772  210.600 14.894  22.47658       20.28601 
1 1 1 6   8  19 f 585.118  17.540  3020.63    179.200 2846.32    253.347 3195.16    253.506 564.600 25.699  598.933 24.241  -34.33289      35.32769 
1 1 1 6   8  20 o 304.090  11.849  811.311    62.914  817.575    88.961  805.043    88.987  304.049 16.822  301.670 16.963  2.379608       23.88988 
1 1 1 6   8  21 o 409.833  16.179  1480.34    115.777 1390.45    141.808 1660.04    200.504 395.526 20.605  429.683 26.859  -34.15677      33.85242 
1 1 1 6   8  22 o 253.988  13.137  568.320    58.061  564.882    71.072  575.219    100.669 252.626 16.198  253.203 23.022  -0.5772552     28.14893 
1 1 1 6   8  23 o 285.693  13.580  717.658    67.744  712.292    82.947  728.406    117.399 283.605 16.826  284.809 23.826  -1.204590      29.16839 
1 1 1 6   8  24 o 236.434  12.926  492.733    53.162  491.371    65.182  495.440    91.877  235.522 15.944  234.789 22.694  0.7329254      27.73523 
1 1 1 6   8  25 o 191.786  12.792  324.704    42.591  330.105    72.653  321.876    52.571  191.314 22.160  190.360 15.964  0.9536591      27.31096 
1 1 1 6   8  26 o 480.539  17.340  2042.14    145.492 1824.12    251.338 2152.01    178.426 446.034 32.496  491.929 20.773  -45.89539      38.56771 
1 1 1 6   8  27 o 156.234  12.574  215.970    34.011  144.058    53.092  266.023    44.293  124.576 25.272  173.096 14.797  -48.51953      29.28540 
1 1 1 6   8  28 o 231.320  14.419  473.488    57.949  299.953    76.602  705.678    88.607  181.208 24.866  281.587 18.118  -100.3785      30.76638 
1 1 1 6   8  29 o 367.024  18.212  1195.27    116.714 1195.27    116.714 0.0000     0.0000  367.024 18.212  ?       ?       0.000000       18.21226 
1 1 1 6   8  30 o 85.383   19.120  67.330     27.795  67.330     27.795  0.0000     0.0000  85.383  19.120  ?       ?       0.000000       19.11962 
1 1 1 6   8  31 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 6   8  32 o 478.622  32.940  2133.50    273.610 0.0000     0.0000  2133.50    273.610 ?       ?       478.622 32.940  0.000000       32.94038 
1 1 1 6   8  33 o 241.806  18.443  523.981    77.281  0.0000     0.0000  523.981    77.281  ?       ?       241.806 18.443  0.000000       18.44290 
1 1 1 6   8  34 o 239.590  16.712  512.697    69.477  0.0000     0.0000  512.697    69.477  ?       ?       239.590 16.712  0.000000       16.71224 
1 1 1 6   8  35 o 72.760   23.193  47.389     33.210  40.548     40.752  60.915     57.303  71.415  25.660  85.487  30.458  -14.07188      39.82624 
1 1 1 6   8  36 o 144.037  13.890  185.410    34.500  145.941    39.933  301.567    68.506  126.379 18.658  181.325 22.094  -54.94595      28.91827 
1 1 1 6   8  37 o 162.466  13.064  235.125    36.745  210.786    43.183  298.986    69.949  152.867 16.437  180.009 22.764  -27.14250      28.07768 
1 1 1 6   8  38 o 181.274  13.290  292.939    41.771  283.610    48.972  317.846    80.021  177.536 15.969  183.999 25.601  -6.462540      30.17289 
1 1 1 6   8  39 o 213.693  12.935  406.709    48.036  366.101    56.825  508.382    89.916  201.529 16.288  234.732 22.202  -33.20215      27.53582 
1 1 1 6   8  40 o 288.495  11.216  736.622    56.496  690.724    78.677  785.481    81.177  276.819 16.350  295.563 15.787  -18.74432      22.72782 
1 1 1 6   8  41 o 306.134  12.037  832.519    64.344  727.757    89.749  943.316    92.298  282.547 18.290  323.116 16.413  -40.56964      24.57485 
1 1 1 6   8  42 o 35.137   15.095  -0.4392    16.665  -16.2281   20.274  32.452     29.262  32.438  15.035  61.930  21.797  -29.49171      26.47972 
1 1 1 6   8  43 o 272.439  13.989  668.250    66.320  673.789    80.417  656.472    117.263 271.594 17.044  260.519 26.131  11.07495       31.19817 
1 1 1 6   8  44 o 293.489  14.328  777.121    73.422  775.151    88.777  781.384    130.610 290.294 17.598  282.266 26.823  8.027313       32.08035 
1 1 1 6   8  45 o 58.461   18.332  31.686     20.822  45.241     23.412  -19.6113   45.543  68.673  18.920  50.867  23.190  17.80628       29.92904 
1 1 1 6   8  46 o 27.022   12.667  -14.4476   15.056  -14.6891   18.079  -13.9011   27.198  30.398  14.127  39.308  17.921  -8.909779      22.81928 
1 1 1 6   8  47 o 71.321   19.651  49.746     25.255  29.903     35.936  69.110     35.499  61.749  23.719  82.733  23.482  -20.98397      33.37661 
1 1 1 6   8  48 o 36.546   15.551  1.8064     17.384  18.321     20.635  -38.5698   32.265  48.572  18.125  36.836  17.634  11.73549       25.28725 
1 1 1 6   8  49 o 122.755  13.083  138.848    27.609  138.645    36.583  139.116    42.083  119.975 18.020  118.179 21.171  1.795586       27.80206 
1 1 1 6   8  50 o 106.404  13.930  105.873    25.258  91.900     32.268  127.980    40.588  95.836  19.933  112.498 21.446  -16.66204      29.27827 
1 1 1 6   8  51 o 64.978   18.362  42.164     21.756  28.411     26.965  67.812     36.824  56.423  20.784  79.562  24.285  -23.13853      31.96450 
1 1 1 6   8  52 o 114.625  16.187  127.029    31.496  113.742    48.079  137.017    41.686  100.050 26.928  115.091 21.535  -15.04118      34.47994 
1 1 1 6   8  53 o 43.748   18.043  10.065     22.305  26.529     30.973  -7.6717    32.149  55.892  21.867  43.383  19.664  12.50857       29.40786 
1 1 1 6   8  54 o 64.624   23.208  43.979     33.332  0.0000     0.0000  43.979     33.332  ?       ?       64.624  23.208  0.000000       23.20804 
1 1 1 6   8  55 o 48.206   20.645  10.695     30.997  0.0000     0.0000  10.695     30.997  ?       ?       48.206  20.645  0.000000       20.64535 
1 1 1 6   8  56 o 73.383   21.721  60.419     29.795  65.515     50.430  57.687     36.929  72.473  28.027  70.194  24.500  2.278816       37.22592 
1 1 1 6   8  57 o 107.856  14.743  114.863    27.038  126.689    35.474  98.467     41.769  109.110 19.327  89.305  25.515  19.80522       32.00880 
1 1 1 6   8  58 o 54.607   18.611  31.475     21.261  34.374     26.873  26.623     34.765  56.649  20.766  54.288  22.469  2.360699       30.59543 
1 1 1 6   8  59 o 44.507   17.406  17.111     19.620  32.058     24.107  -12.2124   33.766  54.596  19.721  41.017  19.143  13.57952       27.48406 
1 1 1 6   8  60 o 84.975   16.978  76.975     24.310  62.941     31.185  98.710     38.811  71.302  22.447  87.635  24.441  -16.33263      33.18515 
1 1 1 6   8  61 o 81.019   17.947  72.695     24.720  35.273     32.399  124.825    38.240  55.387  22.143  101.474 22.200  -46.08776      31.35533 
1 1 1 6   8  62 o 91.818   17.669  93.527     27.299  89.914     37.039  97.823     40.390  81.043  24.271  82.791  25.462  -1.748047      35.17675 
1 1 1 6   9  0  o 246.514  10.566  532.394    45.481  570.027    64.401  494.952    64.238  254.270 14.566  236.693 15.631  17.57710       21.36610 
1 1 1 6   9  1  o 392.471  13.218  1352.20    90.581  1290.51    128.023 1414.04    128.179 381.768 19.268  400.329 18.337  -18.56143      26.59896 
1 1 1 6   9  2  o 627.381  18.807  3475.13    206.025 3443.35    291.328 3506.93    291.398 620.906 26.872  626.739 26.628  -5.832947      37.83029 
1 1 1 6   9  3  o 213.455  10.188  399.114    37.972  404.749    53.636  393.451    53.766  214.122 14.430  211.057 14.681  3.065079       20.58556 
1 1 1 6   9  4  o 308.102  11.841  832.539    63.699  820.818    90.014  844.298    90.155  304.732 16.985  309.121 16.766  -4.389343      23.86576 
1 1 1 6   9  5  o 308.464  11.818  834.528    63.653  770.909    90.053  898.049    89.984  295.151 17.553  318.942 16.211  -23.79117      23.89394 
1 1 1 6   9  6  o 346.032  13.924  1052.15    84.128  1161.40    146.381 998.260    102.801 360.737 23.365  335.966 17.585  24.77112       29.24354 
1 1 1 6   9  7  o 345.317  14.457  1048.44    87.166  997.495    151.202 1073.79    106.677 333.197 26.201  348.449 17.590  -15.25266      31.55782 
1 1 1 6   9  8  o 332.251  12.435  968.890    72.141  1184.64    125.723 862.979    88.085  365.394 19.779  312.582 16.195  52.81174       25.56329 
1 1 1 6   9  9  o 138.989  12.193  170.811    29.293  172.549    51.861  169.997    35.497  137.719 22.331  138.214 14.947  -0.4947357     26.87196 
1 1 1 6   9  10 o 322.281  12.115  911.531    68.176  860.996    96.363  962.174    96.467  311.797 17.774  329.906 16.802  -18.10889      24.45856 
1 1 1 6   9  11 o 261.113  11.457  598.076    52.234  573.160    73.874  622.985    73.866  254.403 16.724  265.427 16.013  -11.02353      23.15395 
1 1 1 6   9  12 o 114.426  10.381  115.698    20.514  131.947    29.449  100.380    28.593  121.689 14.122  105.568 16.015  16.12083       21.35194 
1 1 1 6   9  13 o 424.615  13.530  1584.97    100.309 1788.77    142.128 1382.72    141.592 449.868 18.094  394.289 20.638  55.57919       27.44675 
1 1 1 6   9  14 o 575.479  16.446  2921.57    165.258 3123.26    233.840 2720.32    233.580 592.285 22.611  551.963 24.236  40.32190       33.14605 
1 1 1 6   9  15 o 295.111  11.402  764.255    58.753  812.433    83.328  716.625    82.852  303.158 15.797  284.446 16.756  18.71210       23.02797 
1 1 1 6   9  16 o 181.460  10.843  289.864    34.199  273.357    48.548  306.125    48.183  175.325 16.036  185.822 14.977  -10.49759      21.94270 
1 1 1 6   9  17 o ?        ?       -48.2220   4.8701  -65.9485   6.3140  -22.1873   7.6519  ?       ?       14.244  7.1415  0.000000       7.141541 
1 1 1 6   9  18 o 125.505  12.823  139.902    27.706  138.976    33.913  141.762    48.045  124.503 15.968  124.159 23.009  0.3438950      28.00728 
1 1 1 6   9  19 o 335.050  14.370  989.060    84.067  1071.05    103.198 827.317    144.942 348.034 16.982  301.533 27.844  46.50131       32.61401 
1 1 1 6   9  20 o 193.061  12.958  329.355    43.428  351.728    53.615  286.672    74.056  199.028 15.552  177.216 24.596  21.81177       29.10001 
1 1 1 6   9  21 o 82.269   17.836  62.239     24.883  73.599     31.883  44.538     39.798  89.161  20.852  73.562  25.448  15.59814       32.89944 
1 1 1 6   9  22 o 65.203   17.482  38.970     20.311  60.632     29.078  18.329     28.384  80.955  20.538  54.850  21.077  26.10412       29.42906 
1 1 1 6   9  23 o 251.755  13.771  560.358    60.308  533.508    74.095  613.057    103.805 244.697 17.456  260.513 23.059  -15.81558      28.92112 
1 1 1 6   9  24 o ?        ?       -98.0048   15.871  -107.9443  19.365  -77.6704   27.698  ?       ?       27.323  13.683  0.000000       13.68268 
1 1 1 6   9  25 f 185.661  14.564  306.326    46.835  188.043    57.748  533.661    80.059  142.699 24.031  244.101 18.932  -101.4024      30.59207 
1 1 1 6   9  26 o 508.583  18.869  2305.61    167.558 2586.94    289.988 2164.61    205.298 528.239 31.585  489.675 24.011  38.56390       39.67559 
1 1 1 6   9  27 f 35.621   17.027  -39.8364   29.843  -94.0365   41.227  19.832     43.256  35.707  17.684  63.805  25.559  -28.09826      31.07971 
1 1 1 6   9  28 o 32.553   14.887  -12.6093   18.952  15.338     26.808  -40.5286   26.795  52.128  20.358  32.706  15.763  19.42197       25.74677 
1 1 1 6   9  29 f 268.712  16.344  644.370    76.321  444.806    106.533 854.782    109.390 218.005 28.683  307.812 20.470  -89.80714      35.23844 
1 1 1 6   9  30 o 227.408  16.159  462.419    63.744  420.698    87.309  510.045    93.282  213.920 23.777  236.164 22.910  -22.24358      33.01812 
1 1 1 6   9  31 o 167.790  15.673  252.632    45.386  201.975    61.533  313.074    67.214  146.786 24.898  185.021 21.187  -38.23514      32.69284 
1 1 1 6   9  32 o 174.415  15.863  273.361    47.781  270.921    64.598  276.308    70.998  171.392 22.101  172.192 24.289  -0.8008575     32.83869 
1 1 1 6   9  33 o 191.854  15.515  330.481    51.529  264.365    69.594  410.715    76.665  167.986 24.443  211.707 21.017  -43.72122      32.23671 
1 1 1 6   9  34 o 241.429  16.661  525.346    69.803  528.441    97.789  522.130    99.670  238.336 23.817  236.484 24.493  1.851089       34.16400 
1 1 1 6   9  35 o 40.112   16.775  3.3723     19.665  3.3723     19.665  0.0000     0.0000  40.112  16.775  ?       ?       0.000000       16.77460 
1 1 1 6   9  36 o 82.843   16.305  63.792     22.746  57.361     27.246  78.583     41.319  77.772  19.963  90.059  25.255  -12.28703      32.19185 
1 1 1 6   9  37 o 64.131   17.954  38.530     20.900  29.210     25.119  59.496     37.675  58.506  20.218  79.129  24.634  -20.62354      31.86864 
1 1 1 6   9  38 o 225.355  11.357  452.616    44.544  460.083    62.791  445.052    63.202  224.927 16.094  220.982 16.499  3.945068       23.04855 
1 1 1 6   9  39 o 140.825  11.600  177.897    28.269  188.692    38.725  165.582    41.362  143.516 15.710  133.250 18.258  10.26523       24.08658 
1 1 1 6   9  40 f 129.430  13.060  151.903    29.111  156.007    35.675  143.724    50.358  129.987 16.060  120.418 24.777  9.568817       29.52671 
1 1 1 6   9  41 o 228.685  13.038  472.477    51.845  513.282    63.688  392.317    89.263  236.771 15.490  198.353 26.431  38.41759       30.63601 
1 1 1 6   9  42 o 72.973   19.797  51.924     25.865  40.347     37.953  61.962     35.342  67.596  24.694  78.850  23.730  -11.25407      34.24761 
1 1 1 6   9  43 o 44.505   17.438  12.452     19.720  -1.6053    28.020  26.249     27.760  43.974  19.226  56.667  21.046  -12.69262      28.50626 
1 1 1 6   9  44 o 129.884  11.702  153.327    26.255  129.908    35.230  182.578    39.374  116.463 17.897  139.252 16.515  -22.78888      24.35307 
1 1 1 6   9  45 o 141.556  11.517  182.229    28.219  163.963    38.112  204.395    41.983  131.188 17.040  146.901 16.662  -15.71323      23.83292 
1 1 1 6   9  46 f 116.962  12.432  126.054    25.000  98.124     32.267  168.002    39.544  99.468  19.274  132.001 17.595  -32.53273      26.09761 
1 1 1 6   9  47 o 74.931   17.853  55.887     23.025  42.736     25.357  117.690    54.970  65.150  20.197  100.603 29.427  -35.45284      35.69149 
1 1 1 6   9  48 o 64.849   17.235  41.977     19.849  33.368     24.029  60.474     35.221  58.441  19.785  74.978  23.883  -16.53671      31.01373 
1 1 1 6   9  49 o 111.816  17.596  123.958    33.219  91.830     46.335  157.937    47.651  88.543  27.278  121.361 23.334  -32.81818      35.89676 
1 1 1 6   9  50 o 74.336   20.924  59.119     28.307  62.837     38.227  54.605     42.119  74.496  24.957  70.260  25.958  4.235672       36.00911 
1 1 1 6   9  51 o 77.840   25.949  72.010     41.329  0.0000     0.0000  72.010     41.329  ?       ?       77.840  25.949  0.000000       25.94851 
1 1 1 6   9  52 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 6   9  53 o 57.287   25.533  19.297     51.723  0.0000     0.0000  19.297     51.723  ?       ?       57.287  25.533  0.000000       25.53299 
1 1 1 6   9  54 o 34.061   15.174  -2.0449    18.247  -13.2566   20.730  36.526     38.450  32.115  14.992  59.148  23.954  -27.03246      28.25891 
1 1 1 6   9  55 o 86.186   16.597  77.325     24.070  72.367     28.755  88.931     43.997  79.806  20.521  81.138  26.760  -1.332642      33.72251 
1 1 1 6   9  56 o 26.169   12.544  -18.6151   16.449  -13.6728   18.764  -35.0201   34.187  29.913  14.060  36.214  17.539  -6.301178      22.47887 
1 1 1 6   9  57 o 72.847   16.960  57.446     21.169  46.602     25.419  81.990     38.242  62.798  20.319  77.985  24.891  -15.18655      32.13144 
1 1 1 6   9  58 o 62.449   18.299  44.672     21.240  34.708     24.870  71.524     40.827  54.709  19.989  70.097  25.611  -15.38782      32.48818 
1 1 1 6   9  59 o 29.074   13.638  -11.0499   17.503  -12.1427   20.278  -7.8572    34.660  31.078  14.610  40.824  19.163  -9.746546      24.09763 
1 1 1 6   10 0  o 252.921  10.968  561.268    48.435  584.435    56.188  494.271    95.553  257.899 12.478  234.107 23.702  23.79204       26.78617 
1 1 1 6   10 1  f 298.225  13.032  782.002    67.863  859.138    83.518  632.102    116.427 312.165 15.323  264.354 25.542  47.81171       29.78521 
1 1 1 6   10 2  o 167.179  14.254  247.845    41.209  0.0000     0.0000  247.845    41.209  ?       ?       167.179 14.254  0.000000       14.25351 
1 1 1 6   10 3  o 657.037  26.592  3883.30    305.078 0.0000     0.0000  3883.30    305.078 ?       ?       657.037 26.592  0.000000       26.59241 
1 1 1 6   10 4  o 499.682  18.198  2211.22    158.775 2134.83    275.112 2249.37    194.421 482.336 32.862  502.251 22.170  -19.91449      39.64093 
1 1 1 6   10 5  o 220.611  12.139  428.934    46.578  429.023    80.560  428.888    57.088  218.503 21.390  220.069 14.945  -1.565338      26.09355 
1 1 1 6   10 6  o 94.780   11.835  80.122     19.159  63.351     27.628  95.660     26.593  82.863  19.432  103.066 15.236  -20.20359      24.69284 
1 1 1 6   10 7  o 491.881  18.127  2143.95    155.689 2316.38    269.504 2057.58    190.736 503.494 30.804  479.832 22.766  23.66281       38.30325 
1 1 1 6   10 8  o 153.242  12.080  207.662    32.060  221.594    55.556  200.706    39.255  156.452 20.857  150.078 15.189  6.373810       25.80151 
1 1 1 6   10 9  o 51.131   15.493  23.225     15.027  13.801     23.618  29.635     19.478  49.331  19.152  57.754  17.668  -8.423515      26.05664 
1 1 1 6   10 10 o 188.291  11.653  312.726    38.124  270.970    54.167  353.715    53.668  173.905 18.104  199.540 15.526  -25.63547      23.84965 
1 1 1 6   10 11 o 452.619  14.545  1807.31    114.947 1886.61    162.745 1728.36    162.374 460.206 20.253  440.093 21.130  20.11224       29.26918 
1 1 1 6   10 12 o 538.098  15.741  2559.73    147.898 2638.01    209.203 2481.51    209.115 543.015 22.064  526.256 22.757  16.75897       31.69770 
1 1 1 6   10 13 f 257.747  11.647  584.098    52.418  546.983    73.038  623.520    75.274  247.892 16.976  264.918 16.353  -17.02524      23.57163 
1 1 1 6   10 14 o 199.185  11.920  350.236    41.266  384.957    56.533  310.635    60.375  208.050 15.677  185.964 18.854  22.08606       24.52078 
1 1 1 6   10 15 o 432.516  16.987  1659.28    128.284 1577.08    157.151 1823.44    222.093 419.159 21.545  446.187 28.659  -27.02808      35.85413 
1 1 1 6   10 16 o 386.704  16.182  1325.09    109.261 1400.59    133.549 1172.26    190.013 396.336 19.298  355.730 30.898  40.60605       36.42969 
1 1 1 6   10 17 o 454.223  21.407  1850.09    169.784 1850.09    169.784 0.0000     0.0000  454.223 21.407  ?       ?       0.000000       21.40748 
1 1 1 6   10 18 o 312.608  14.383  864.004    78.506  905.257    95.885  780.117    136.733 318.651 17.298  291.289 27.198  27.36197       32.23312 
1 1 1 6   10 19 o 323.509  14.473  925.950    81.756  853.122    99.985  1072.88    142.016 308.663 18.639  343.644 23.815  -34.98074      30.24216 
1 1 1 6   10 20 o 307.511  14.148  836.596    75.965  812.291    92.843  885.821    132.132 301.398 17.720  311.517 24.489  -10.11884      30.22798 
1 1 1 6   10 21 o 557.519  25.160  2833.52    244.921 2818.22    346.612 2848.78    346.129 542.167 36.832  545.475 36.553  -3.307800      51.89159 
1 1 1 6   10 22 o 104.994  20.048  102.114    35.414  63.652     51.791  135.889    48.533  85.188  29.046  120.348 23.938  -35.16039      37.63954 
1 1 1 6   10 23 o 294.491  17.471  777.474    89.436  709.205    126.497 845.709    126.465 276.554 26.521  303.720 24.044  -27.16583      35.79777 
1 1 1 6   10 24 f 167.511  13.457  250.110    39.027  248.251    48.407  253.561    65.967  165.897 16.949  165.322 23.515  0.5757141      28.98705 
1 1 1 6   10 25 f 242.066  13.456  521.069    56.648  515.967    69.817  530.899    96.912  239.667 16.790  240.012 23.424  -0.3449707     28.81952 
1 1 1 6   10 26 o 134.173  17.409  163.986    39.824  146.037    57.505  180.528    55.205  122.998 27.470  138.629 23.655  -15.63103      36.25138 
1 1 1 6   10 27 o 60.918   21.325  30.714     27.988  5.0122     43.449  48.942     36.590  57.904  24.611  73.854  24.406  -15.95041      34.66079 
1 1 1 6   10 28 o 169.516  16.548  260.341    48.355  206.707    69.019  312.045    67.767  145.949 28.103  183.540 21.556  -37.59111      35.41835 
1 1 1 6   10 29 o 309.867  14.385  857.941    77.832  866.964    135.776 853.525    94.988  302.940 25.918  306.742 17.812  -3.801880      31.44847 
1 1 1 6   10 30 o 219.624  11.406  428.903    43.591  428.775    62.303  429.026    61.010  217.442 16.533  217.683 16.167  -0.2411194     23.12415 
1 1 1 6   10 31 o 387.322  13.823  1342.74    93.482  1344.04    132.316 1341.44    132.092 382.065 19.903  381.710 19.888  0.3550720      28.13623 
1 1 1 6   10 32 o 72.646   15.592  49.354     19.186  73.766     26.589  22.836     27.712  88.524  17.819  55.763  20.965  32.76125       27.51485 
1 1 1 6   10 33 o 191.253  11.209  326.556    37.267  326.345    52.201  326.775    53.220  189.074 15.961  189.035 16.283  0.3970337E-01  22.80104 
1 1 1 6   10 34 o 218.667  11.422  427.612    43.459  404.904    61.314  450.538    61.609  209.847 16.877  221.973 16.003  -12.12585      23.25763 
1 1 1 6   10 35 o 162.508  11.166  236.778    31.491  202.827    43.714  273.405    45.405  147.655 17.283  172.814 15.202  -25.15875      23.01713 
1 1 1 6   10 36 o 94.088   13.023  81.186     20.821  56.986     27.590  113.201    31.734  76.389  20.328  109.692 17.129  -33.30248      26.58221 
1 1 1 6   10 37 o 105.391  26.281  114.848    48.197  0.0000     0.0000  114.848    48.197  ?       ?       105.391 26.281  0.000000       26.28081 
1 1 1 6   10 38 o 78.160   26.331  61.471     42.557  0.0000     0.0000  61.471     42.557  ?       ?       78.160  26.331  0.000000       26.33134 
1 1 1 6   10 39 f 106.032  19.908  110.365    35.503  124.554    50.839  96.858     49.603  108.143 27.005  94.698  28.026  13.44444       38.91938 
1 1 1 6   10 40 o 110.232  15.160  114.324    28.408  120.865    34.482  100.507    50.116  111.636 18.326  95.651  28.132  15.98504       33.57460 
1 1 1 6   10 41 o 81.013   17.338  64.262     23.785  67.314     27.241  54.470     48.793  81.997  19.340  73.891  27.812  8.106628       33.87548 
1 1 1 6   10 42 o 122.830  14.007  141.367    29.503  113.003    34.424  219.855    57.263  106.565 19.207  145.694 23.294  -39.12827      30.19157 
1 1 1 6   10 43 o 49.712   17.938  21.774     19.939  27.920     22.464  -1.0497    43.287  54.606  19.106  51.986  23.251  2.619347       30.09359 
1 1 1 6   10 44 o 69.102   16.891  47.746     20.208  52.315     25.613  40.211     32.890  71.035  19.871  63.415  23.015  7.620403       30.40620 
1 1 1 6   10 45 o 117.341  15.157  132.922    30.328  128.096    47.670  136.204    39.310  105.804 25.991  114.650 20.383  -8.845993      33.03085 
1 1 1 6   10 46 o 66.127   18.643  45.520     22.454  42.235     34.041  48.049     29.875  63.515  23.358  66.690  22.054  -3.175125      32.12460 
1 1 1 6   10 47 o 113.852  15.336  127.225    29.711  126.697    47.129  127.573    38.274  103.139 26.137  109.220 20.830  -6.080971      33.42199 
1 1 1 6   10 48 o 137.312  18.246  194.215    42.663  0.0000     0.0000  194.215    42.663  ?       ?       137.312 18.246  0.000000       18.24590 
1 1 1 6   10 49 o 57.996   24.301  31.030     41.392  0.0000     0.0000  31.030     41.392  ?       ?       57.996  24.301  0.000000       24.30145 
1 1 1 6   10 50 o 50.299   20.122  22.560     26.772  0.0000     0.0000  22.560     26.772  ?       ?       50.299  20.122  0.000000       20.12196 
1 1 1 6   10 51 o 61.105   16.811  39.803     18.498  20.420     24.259  66.727     28.592  48.034  19.176  75.949  20.902  -27.91469      28.36574 
1 1 1 6   10 52 o 108.531  12.998  115.649    24.142  104.055    33.365  128.390    34.976  95.311  20.646  107.826 19.285  -12.51460      28.25200 
1 1 1 6   10 53 o 45.971   16.919  21.121     17.864  16.190     23.137  28.400     28.110  44.703  18.399  51.998  20.678  -7.294781      27.67879 
1 1 1 6   10 54 o 38.871   15.760  11.419     16.665  3.0436     21.887  22.972     25.708  37.818  16.746  48.341  19.583  -10.52269      25.76686 
1 1 1 6   10 55 o 45.745   17.381  21.576     19.166  26.604     22.692  9.0611     35.802  49.254  18.865  45.577  20.694  3.676979       28.00253 
1 1 1 6   10 56 o 31.312   14.106  -1.6565    16.252  -8.2248    19.090  15.641     30.979  31.127  14.483  45.465  20.037  -14.33775      24.72328 
1 1 1 6   11 0  o 130.123  13.215  150.922    29.608  122.836    37.382  198.198    48.500  115.870 19.146  147.816 19.248  -31.94686      27.14827 
1 1 1 6   11 1  o 113.385  13.792  115.197    26.743  66.110     33.906  196.009    43.504  84.215  22.591  147.521 17.213  -63.30612      28.40131 
1 1 1 6   11 2  o 298.245  11.872  783.566    61.823  788.848    71.661  768.192    122.254 298.797 13.735  290.278 24.345  8.518921       27.95280 
1 1 1 6   11 3  o 227.607  11.449  457.236    45.357  428.697    52.646  539.425    89.342  219.829 13.785  244.218 21.161  -24.38887      25.25487 
1 1 1 6   11 4  o 233.102  11.263  478.337    45.843  489.699    64.773  466.935    64.890  234.376 15.922  228.709 16.357  5.667068       22.82711 
1 1 1 6   11 5  o 194.266  12.560  334.299    42.375  328.577    52.525  344.965    71.716  191.779 15.827  194.739 21.447  -2.960083      26.65428 
1 1 1 6   11 6  o 156.985  12.352  218.695    33.583  209.976    41.741  234.699    56.551  152.999 15.855  160.434 20.668  -7.434738      26.04862 
1 1 1 6   11 7  o 205.808  12.469  375.127    44.598  370.401    54.944  384.254    76.359  203.698 15.566  205.453 21.610  -1.755600      26.63198 
1 1 1 6   11 8  o 267.473  13.250  632.413    61.880  647.829    76.375  602.959    105.571 269.391 16.314  256.684 23.827  12.70685       28.87663 
1 1 1 6   11 9  o 220.969  12.461  432.445    47.884  447.819    58.646  401.698    82.936  224.146 15.072  209.350 23.072  14.79611       27.55857 
1 1 1 6   11 10 o 195.555  12.878  339.429    43.726  335.000    53.330  348.513    76.377  193.434 15.932  194.829 22.888  -1.396011      27.88642 
1 1 1 6   11 11 o 109.667  17.818  110.117    32.948  110.117    32.948  0.0000     0.0000  109.667 17.818  ?       ?       0.000000       17.81778 
1 1 1 6   11 12 o 283.696  17.399  722.112    85.769  722.112    85.769  0.0000     0.0000  283.696 17.399  ?       ?       0.000000       17.39876 
1 1 1 6   11 13 o 90.413   18.383  75.832     28.032  75.832     28.032  0.0000     0.0000  90.413  18.383  ?       ?       0.000000       18.38256 
1 1 1 6   11 14 o 141.453  16.088  180.678    39.028  180.678    39.028  0.0000     0.0000  141.453 16.088  ?       ?       0.000000       16.08785 
1 1 1 6   11 15 o 224.398  12.868  447.491    50.207  404.577    84.913  470.560    62.256  208.978 23.689  229.175 15.652  -20.19774      28.39281 
1 1 1 6   11 16 o 300.556  13.458  801.919    70.626  734.256    120.417 837.401    87.199  281.192 24.779  305.501 16.407  -24.30899      29.71846 
1 1 1 6   11 17 o 69.069   18.121  44.528     22.126  67.153     34.343  28.472     28.932  84.161  22.803  60.026  21.615  24.13489       31.41960 
1 1 1 6   11 18 o 109.706  12.160  107.902    22.902  86.178     30.532  135.848    34.629  96.102  18.869  121.986 16.696  -25.88351      25.19537 
1 1 1 6   11 19 o 295.680  11.645  774.398    60.120  692.613    84.080  859.958    85.998  276.648 17.496  309.253 15.981  -32.60544      23.69601 
1 1 1 6   11 20 o 75.587   14.375  52.631     18.279  33.768     23.694  80.361     28.727  61.274  19.596  92.704  18.397  -31.42990      26.87817 
1 1 1 6   11 21 o 164.209  10.877  239.737    31.009  190.579    41.949  298.955    46.042  144.402 16.960  182.205 14.595  -37.80208      22.37540 
1 1 1 6   11 22 o 366.425  12.592  1195.74    80.562  998.178    112.967 1400.19    114.922 329.613 19.719  393.569 16.723  -63.95648      25.85548 
1 1 1 6   11 23 o 203.656  13.286  372.132    46.984  435.779    80.538  339.295    57.848  215.844 21.662  192.578 17.391  23.26616       27.77946 
1 1 1 6   11 24 o 234.076  13.286  491.807    54.080  534.429    95.376  471.610    65.654  237.547 23.294  227.445 16.648  10.10175       28.63159 
1 1 1 6   11 25 o 168.517  13.006  255.655    37.972  281.283    67.873  243.979    45.813  171.436 23.276  163.211 16.294  8.224686       28.41222 
1 1 1 6   11 26 o 180.821  11.060  292.103    34.752  291.434    49.693  292.744    48.619  178.363 16.131  178.978 15.717  -0.6147766     22.52138 
1 1 1 6   11 27 f 82.023   16.238  63.295     22.433  48.875     43.082  68.659     26.276  73.618  26.391  84.823  18.280  -11.20519      32.10310 
1 1 1 6   11 28 o 162.772  11.472  237.986    32.397  236.263    46.624  239.595    45.050  159.567 16.996  161.108 16.236  -1.540817      23.50447 
1 1 1 6   11 29 f 107.964  12.668  106.250    23.428  112.975    33.979  100.156    32.345  108.924 18.530  102.302 18.800  6.621635       26.39699 
1 1 1 6   11 30 o 102.970  13.473  97.502     23.642  112.520    35.212  85.175     31.902  108.073 19.372  93.372  20.158  14.70092       27.95742 
1 1 1 6   11 31 o 155.972  11.476  219.726    31.035  219.620    44.755  219.824    43.072  152.941 17.049  153.451 16.326  -0.5098114     23.60579 
1 1 1 6   11 32 o 187.978  13.446  323.329    43.842  306.614    77.164  331.297    53.277  172.407 26.479  188.247 16.372  -15.83997      31.13193 
1 1 1 6   11 33 o 31.385   14.162  -6.9985    16.460  7.4534     30.883  -12.7328   19.453  49.063  20.797  32.304  14.887  16.75830       25.57562 
1 1 1 6   11 34 o 81.547   16.977  64.573     23.387  58.633     28.777  76.128     40.137  76.083  20.982  84.731  25.241  -8.647148      32.82327 
1 1 1 6   11 35 o 85.466   16.175  70.502     23.254  58.808     28.178  95.469     41.173  75.990  20.683  94.598  24.671  -18.60810      32.19351 
1 1 1 6   11 36 o 37.842   15.931  4.0593     17.924  12.453     21.059  -18.0059   34.143  44.716  17.861  42.429  19.611  2.287762       26.52600 
1 1 1 6   11 37 o 38.463   15.412  8.4083     15.735  8.4917     20.801  8.2966     24.058  42.247  17.423  44.344  18.550  -2.097916      25.44952 
1 1 1 6   11 38 o 49.748   16.694  23.272     17.106  8.4321     22.871  42.112     25.770  43.442  18.122  64.121  20.429  -20.67958      27.30866 
1 1 1 6   11 39 o 53.332   17.598  27.710     19.027  5.8675     26.388  51.363     27.459  44.345  19.022  69.714  20.903  -25.36871      28.26216 
1 1 1 6   11 40 o 59.385   21.476  35.318     28.601  0.0000     0.0000  35.318     28.601  ?       ?       59.385  21.476  0.000000       21.47584 
1 1 1 6   11 41 o 56.942   21.162  31.805     28.075  0.0000     0.0000  31.805     28.075  ?       ?       56.942  21.162  0.000000       21.16238 
1 1 1 6   11 42 o 40.806   16.884  8.9857     19.621  -4.4303    32.550  16.642     24.590  43.668  19.790  47.474  19.181  -3.805977      27.55981 
1 1 1 6   11 43 o 45.871   19.247  12.466     26.021  0.0000     0.0000  12.466     26.021  ?       ?       45.871  19.247  0.000000       19.24687 
1 1 1 6   11 44 o 104.522  21.372  121.792    37.688  0.0000     0.0000  121.792    37.688  ?       ?       104.522 21.372  0.000000       21.37164 
1 1 1 6   11 45 o 106.275  21.611  128.038    38.737  0.0000     0.0000  128.038    38.737  ?       ?       106.275 21.611  0.000000       21.61140 
1 1 1 6   11 46 o 48.249   22.228  0.0036     43.328  0.0000     0.0000  0.0036     43.328  ?       ?       48.249  22.228  0.000000       22.22771 
1 1 1 6   11 47 o 46.242   19.154  16.917     25.290  9.3542     30.589  33.253     44.958  45.349  19.951  57.026  24.647  -11.67659      31.71034 
1 1 1 6   11 48 o 32.201   14.467  -2.4553    16.962  -19.7153   18.492  89.122     42.595  27.714  13.289  79.009  26.343  -51.29511      29.50516 
1 1 1 6   11 49 o 97.090   16.457  100.749    26.903  106.094    30.791  83.504     55.309  96.967  18.865  70.175  28.614  26.79273       34.27318 
1 1 1 6   11 50 o 31.269   14.057  -1.9561    16.045  -0.6694    19.545  -4.6152    28.098  34.541  15.523  38.517  17.799  -3.975807      23.61717 
1 1 1 6   11 51 o 113.105  13.880  131.874    26.837  147.846    36.127  112.205    40.089  112.884 19.004  88.901  24.857  23.98350       31.28916 
1 1 1 6   11 52 o 71.948   17.375  59.888     21.581  42.748     27.718  86.278     34.392  56.759  21.040  78.020  23.393  -21.26139      31.46312 
1 1 1 6   12 0  o 76.285   12.626  53.009     16.229  44.971     19.577  70.677     29.022  69.390  16.415  86.514  19.659  -17.12427      25.61057 
1 1 1 6   12 1  o 216.982  10.912  417.598    41.209  407.195    47.856  447.440    81.053  213.591 12.892  219.875 21.383  -6.283463      24.96863 
1 1 1 6   12 2  o 198.657  10.797  350.152    37.311  338.772    43.302  382.956    73.520  194.760 12.805  203.424 21.001  -8.664139      24.59650 
1 1 1 6   12 3  o 409.027  14.070  1494.40    100.485 1414.76    116.090 1732.34    200.660 396.088 16.786  426.921 27.058  -30.83310      31.84204 
1 1 1 6   12 4  o 67.258   14.244  41.896     16.208  50.555     18.109  7.0391     36.333  73.967  14.540  53.982  22.702  19.98490       26.95868 
1 1 1 6   12 5  o 332.195  12.157  980.671    70.517  874.945    81.132  1307.25    142.592 312.417 14.873  375.743 21.828  -63.32620      26.41357 
1 1 1 6   12 6  o 84.913   17.650  67.577     25.316  67.577     25.316  0.0000     0.0000  84.913  17.650  ?       ?       0.000000       17.65045 
1 1 1 6   12 7  o 175.389  14.991  278.022    45.469  278.022    45.469  0.0000     0.0000  175.389 14.991  ?       ?       0.000000       14.99149 
1 1 1 6   12 8  o 118.070  16.542  128.185    33.167  128.185    33.167  0.0000     0.0000  118.070 16.542  ?       ?       0.000000       16.54202 
1 1 1 6   12 9  o 70.359   18.776  46.834     23.496  46.834     23.496  0.0000     0.0000  70.359  18.776  ?       ?       0.000000       18.77596 
1 1 1 6   12 10 o 44.405   16.117  15.045     16.129  19.362     22.760  10.691     22.859  51.223  19.051  46.337  18.573  4.886448       26.60643 
1 1 1 6   12 11 o 149.458  12.650  200.764    32.702  184.869    53.856  210.048    41.158  138.956 23.002  151.728 15.766  -12.77126      27.88598 
1 1 1 6   12 12 o 120.422  13.261  131.308    27.421  119.547    44.636  138.438    34.751  110.716 23.798  122.460 16.687  -11.74435      29.06507 
1 1 1 6   12 13 o 117.662  11.482  124.386    23.288  116.724    32.408  132.567    33.487  112.051 17.107  119.811 16.441  -7.759659      23.72619 
1 1 1 6   12 14 o 159.051  10.899  225.997    30.085  193.916    41.743  260.676    43.400  144.997 16.799  169.293 14.832  -24.29674      22.40941 
1 1 1 6   12 15 f 206.677  11.058  381.453    39.759  348.071    55.539  416.543    56.943  194.753 16.487  213.827 15.354  -19.07469      22.52942 
1 1 1 6   12 16 o 269.408  11.711  648.604    55.091  597.628    77.271  701.302    78.567  254.516 17.494  276.729 16.332  -22.21259      23.93288 
1 1 1 6   12 17 o 159.129  10.973  226.843    30.303  219.024    41.614  235.669    44.213  154.345 15.658  159.956 16.047  -5.610779      22.42046 
1 1 1 6   12 18 o 224.164  11.025  448.694    43.152  398.333    60.130  502.172    61.963  207.660 16.725  234.364 15.224  -26.70477      22.61670 
1 1 1 6   12 19 o 153.469  12.898  213.675    34.242  200.572    59.235  220.252    41.964  141.850 24.820  154.415 15.786  -12.56461      29.41456 
1 1 1 6   12 20 o 78.241   16.531  58.299     21.876  85.411     36.207  42.712     27.453  92.498  22.609  66.762  21.066  25.73553       30.90228 
1 1 1 6   12 21 o 326.189  14.526  971.209    82.733  762.525    142.080 1078.27    101.766 268.509 30.866  340.412 17.177  -71.90353      35.32363 
1 1 1 6   12 22 o 165.357  13.001  249.214    37.234  192.438    61.315  282.382    46.865  136.353 26.709  174.546 15.540  -38.19261      30.90079 
1 1 1 6   12 23 o 188.739  11.038  321.062    36.217  285.707    49.395  362.169    53.262  174.755 16.379  197.513 15.570  -22.75829      22.59860 
1 1 1 6   12 24 f 347.619  12.698  1098.00    77.075  968.397    108.178 1231.62    109.841 317.533 19.607  362.026 17.377  -44.49243      26.19900 
1 1 1 6   12 25 o 184.972  11.418  310.153    36.699  278.419    50.949  344.370    52.905  171.222 17.278  191.670 15.953  -20.44800      23.51662 
1 1 1 6   12 26 o 155.386  11.337  219.466    30.548  206.717    42.515  233.072    43.920  147.376 16.823  156.986 16.259  -9.608978      23.39584 
1 1 1 6   12 27 o 118.722  12.475  129.976    25.474  136.311    34.681  122.553    37.540  118.904 17.204  110.770 20.152  8.134743       26.49675 
1 1 1 6   12 28 o 54.032   17.431  27.873     18.716  49.045     24.681  -0.7764    28.711  69.648  19.515  43.979  19.339  25.66898       27.47404 
1 1 1 6   12 29 f 55.205   17.175  29.612     18.318  21.974     24.265  39.732     27.931  51.632  19.571  63.128  21.332  -11.49629      28.94961 
1 1 1 6   12 30 o 71.278   15.303  49.562     18.476  50.847     27.639  48.524     24.842  69.920  20.972  68.758  19.688  1.161766       28.76557 
1 1 1 6   12 31 o 34.469   15.080  -0.9536    17.262  -0.1450    20.381  -3.0053    32.465  37.580  16.415  45.094  20.154  -7.514248      25.99320 
1 1 1 6   12 32 o 68.191   21.431  49.372     28.438  54.387     40.346  44.420     40.091  70.471  25.504  65.884  25.113  4.586548       35.79221 
1 1 1 6   12 33 o 69.951   21.525  52.832     28.862  54.818     38.881  50.395     43.074  70.133  25.078  68.216  26.023  1.917221       36.14045 
1 1 1 6   12 34 f 76.716   17.608  60.411     23.086  8.4636     40.603  85.228     28.064  51.890  22.900  91.025  18.292  -39.13551      29.30916 
1 1 1 6   12 35 o 55.858   18.267  31.935     20.518  59.993     36.429  18.897     24.832  71.854  24.361  48.788  19.425  23.06532       31.15736 
1 1 1 6   12 36 o 82.231   17.595  70.164     24.499  37.655     42.131  86.773     30.115  61.203  24.967  89.936  19.720  -28.73279      31.81548 
1 1 1 6   12 37 o 35.386   15.679  -1.1268    19.218  31.363     31.723  -19.9628   24.154  56.251  22.094  33.167  15.700  23.08404       27.10405 
1 1 1 6   12 38 o 106.501  28.522  151.074    54.100  151.074    54.100  0.0000     0.0000  106.501 28.522  ?       ?       0.000000       28.52210 
1 1 1 6   12 39 o 89.423   17.154  83.910     25.810  119.002    45.345  67.092     31.391  95.893  26.295  75.048  22.314  20.84553       34.48696 
1 1 1 6   12 40 o 47.641   18.184  21.679     21.039  44.337     40.552  13.333     24.610  61.067  24.646  44.568  18.710  16.49895       30.94314 
1 1 1 6   12 41 o 41.154   16.390  13.507     17.683  4.0984     25.717  21.945     24.355  41.043  18.164  48.369  19.244  -7.325153      26.46199 
1 1 1 6   12 42 o 117.293  16.302  144.499    32.485  139.009    60.755  146.697    38.441  89.717  31.419  113.469 20.140  -23.75223      37.31980 
1 1 1 6   12 43 o 64.487   20.419  50.381     25.775  40.091     52.297  53.683     29.624  57.900  25.749  65.029  21.969  -7.128422      33.84722 
1 1 1 6   12 44 o 42.566   17.850  13.835     22.358  86.740     47.967  -6.4028    25.272  72.671  27.524  36.427  16.850  36.24387       32.27179 
1 1 1 6   12 45 o 38.341   16.139  9.6688     18.392  -13.8764   28.440  26.595     24.113  36.002  17.040  49.105  19.270  -13.10373      25.72374 
1 1 1 6   12 46 o 144.549  12.955  211.971    32.350  181.950    46.986  239.030    44.607  116.419 23.914  144.693 18.048  -28.27451      29.96068 
1 1 1 6   12 47 o 39.771   16.699  12.631     19.611  26.512     28.619  0.3420     26.927  48.332  20.226  38.321  17.605  10.01081       26.81493 
1 1 1 6   13 0  o 82.646   14.642  63.942     20.356  49.851     24.407  96.136     36.892  71.546  19.156  98.371  22.026  -26.82488      29.19113 
1 1 1 6   13 1  o 142.164  12.507  183.624    30.731  182.266    37.169  186.560    54.634  140.231 15.435  136.833 23.727  3.398041       28.30610 
1 1 1 6   13 2  f 158.517  15.163  232.090    41.456  232.090    41.456  0.0000     0.0000  158.517 15.163  ?       ?       0.000000       15.16291 
1 1 1 6   13 3  o 87.575   16.851  73.127     24.831  73.127     24.831  0.0000     0.0000  87.575  16.851  ?       ?       0.000000       16.85065 
1 1 1 6   13 4  o 110.466  24.290  124.065    45.576  124.065    45.576  0.0000     0.0000  110.466 24.290  ?       ?       0.000000       24.29029 
1 1 1 6   13 5  o 76.262   24.495  58.280     36.990  58.280     36.990  0.0000     0.0000  76.262  24.495  ?       ?       0.000000       24.49470 
1 1 1 6   13 6  o 70.396   19.518  48.644     24.827  28.967     33.744  71.866     36.657  60.259  23.023  83.883  23.881  -23.62416      33.17130 
1 1 1 6   13 7  o 42.480   15.367  14.405     14.646  16.850     16.407  4.8062     32.502  45.347  16.283  49.266  21.121  -3.918411      26.66880 
1 1 1 6   13 8  o 154.395  12.473  217.230    33.338  204.598    39.685  247.523    61.455  148.099 15.580  157.503 23.027  -9.404343      27.80226 
1 1 1 6   13 9  o 95.655   14.985  86.007     24.207  95.640     39.766  80.335     30.511  96.376  23.777  90.099  19.923  6.277153       31.02095 
1 1 1 6   13 10 o 162.033  12.416  239.490    34.860  190.747    56.976  268.655    44.072  136.132 24.887  170.036 14.998  -33.90451      29.05714 
1 1 1 6   13 11 o 101.030  14.463  95.577     24.786  89.964     38.251  99.639     32.541  93.257  23.500  100.771 19.195  -7.514427      30.34326 
1 1 1 6   13 12 o 24.295   11.559  -15.9972   13.420  -3.2604    16.755  -38.7923   22.415  33.307  14.704  28.224  13.788  5.083183       20.15760 
1 1 1 6   13 13 o 132.151  13.286  161.369    30.242  159.822    48.841  162.331    38.513  124.904 23.250  130.094 17.390  -5.190155      29.03412 
1 1 1 6   13 14 o 48.179   17.265  19.853     18.438  24.701     26.960  15.592     25.273  54.712  20.656  49.091  19.580  5.621391       28.46126 
1 1 1 6   13 15 o 53.370   20.715  21.879     27.629  0.0000     0.0000  21.879     27.629  ?       ?       53.370  20.715  0.000000       20.71548 
1 1 1 6   13 16 o 85.169   21.442  74.904     31.866  0.0000     0.0000  74.904     31.866  ?       ?       85.169  21.442  0.000000       21.44240 
1 1 1 6   13 17 o 87.415   20.982  78.713     31.619  0.0000     0.0000  78.713     31.619  ?       ?       87.415  20.982  0.000000       20.98238 
1 1 1 6   13 18 o 136.424  18.197  182.655    42.266  0.0000     0.0000  182.655    42.266  ?       ?       136.424 18.197  0.000000       18.19709 
1 1 1 6   13 19 o 56.937   17.826  31.878     19.698  46.269     30.355  21.410     25.890  66.968  22.234  51.836  20.072  15.13222       29.95383 
1 1 1 6   13 20 o 58.558   17.829  34.155     19.866  32.290     30.776  35.487     26.010  58.988  22.111  59.883  20.581  -0.8945160     30.20667 
1 1 1 6   13 21 o 98.953   19.029  99.427     31.683  72.287     40.954  139.886    50.003  79.833  25.788  111.234 26.181  -31.40038      36.74816 
1 1 1 6   13 22 o 44.129   16.723  15.534     17.713  29.158     26.343  4.2905     23.930  55.748  20.541  42.041  18.076  13.70631       27.36229 
1 1 1 6   13 23 o 59.911   17.855  36.523     20.082  23.854     30.196  46.570     26.890  53.945  21.438  66.319  20.838  -12.37367      29.89714 
1 1 1 6   13 24 o 130.598  13.442  162.000    30.214  131.439    49.889  179.702    37.969  105.073 27.036  135.017 16.446  -29.94360      31.64477 
1 1 1 6   13 25 o 43.906   17.224  14.504     19.256  36.524     29.336  -2.1653    25.525  59.691  21.725  40.196  17.924  19.49481       28.16474 
1 1 1 6   13 26 o 69.803   17.490  50.489     21.274  25.728     33.280  67.598     27.664  54.951  22.275  79.258  19.992  -24.30671      29.93046 
1 1 1 6   13 27 o 50.351   19.132  23.180     23.222  20.373     28.681  28.522     39.566  50.765  20.642  57.408  23.882  -6.642735      31.56664 
1 1 1 6   13 28 o 57.411   20.197  34.754     25.119  49.243     31.518  9.5277     41.588  65.743  22.652  51.490  22.926  14.25324       32.22903 
1 1 1 6   13 29 o 41.222   17.213  9.3308     20.663  14.505     26.634  1.5078     32.749  46.766  19.537  44.939  20.152  1.826981       28.06761 
1 1 1 6   13 30 o 52.101   19.693  26.959     24.523  24.670     29.899  31.664     42.866  52.217  21.131  57.846  24.510  -5.628803      32.36135 
1 1 1 6   13 31 o 42.679   18.023  10.327     23.056  -2.1414    26.753  46.325     45.457  39.952  18.039  62.636  25.786  -22.68392      31.46913 
1 1 1 6   13 32 o 54.807   18.390  32.490     20.757  44.844     22.475  -39.1610   54.125  63.396  18.889  45.168  21.921  18.22782       28.93620 
1 1 1 6   13 33 o 43.826   16.073  18.319     16.103  19.006     19.859  17.001     27.515  45.450  17.585  47.112  19.781  -1.662346      26.46707 
1 1 1 6   13 34 o 59.657   16.561  38.501     17.862  26.481     21.465  65.568     32.210  50.197  18.534  71.985  22.830  -21.78794      29.40589 
1 1 1 6   13 35 o 52.372   17.067  29.907     17.917  34.926     21.896  19.736     31.169  55.455  18.886  48.688  20.773  6.767021       28.07540 
1 1 1 6   13 36 o 73.215   15.299  56.666     18.928  83.649     25.498  23.543     28.251  87.331  17.333  49.120  20.286  38.21064       26.68281 
1 1 1 6   13 37 o 23.872   11.387  -13.6353   13.203  -33.8373   16.932  17.699     21.088  22.723  11.267  44.032  17.772  -21.30905      21.04281 
1 1 1 6   13 38 o 36.549   15.746  6.3194     18.228  18.705     31.548  0.1126     22.333  47.058  20.492  36.473  16.473  10.58466       26.29263 
1 1 1 6   13 39 o 38.388   16.370  9.3242     19.338  16.303     37.394  6.7763     22.594  47.171  21.309  38.888  17.127  8.282314       27.33879 
1 1 1 6   13 40 o 58.459   19.189  42.928     22.633  54.679     42.577  38.300     26.721  58.631  24.611  54.295  20.548  4.336086       32.06149 
1 1 1 6   13 41 o 47.287   18.425  26.073     21.922  18.182     40.521  29.337     26.065  46.970  21.585  49.069  19.775  -2.099388      29.27403 
1 1 1 6   14 0  o 93.505   24.076  96.765     39.543  96.765     39.543  0.0000     0.0000  93.505  24.076  ?       ?       0.000000       24.07570 
1 1 1 6   14 1  o 90.880   18.451  83.798     28.279  91.727     38.165  74.145     42.111  91.153  23.743  80.280  26.166  10.87287       35.33235 
1 1 1 6   14 2  o 27.759   12.455  -4.2791    12.527  -0.1561    14.071  -20.0392   27.510  31.649  13.734  36.534  17.125  -4.884735      21.95147 
1 1 1 6   14 3  o 83.725   13.913  67.313     19.625  60.802     22.232  90.302     41.773  77.918  16.832  88.658  25.572  -10.73965      30.61508 
1 1 1 6   14 4  o 97.536   12.176  89.197     20.285  91.066     23.035  82.742     42.810  97.582  13.913  84.133  26.270  13.44936       29.72669 
1 1 1 6   14 5  o 85.937   12.671  69.940     18.442  66.632     20.641  83.035     41.065  82.695  14.840  84.640  25.603  -1.944710      29.59333 
1 1 1 6   14 6  o 257.656  11.324  611.205    50.945  528.109    58.552  870.141    103.359 235.588 14.302  290.407 20.516  -54.81952      25.00848 
1 1 1 6   14 7  o 125.667  10.991  146.010    23.874  116.982    26.950  251.847    51.460  110.275 14.336  157.199 19.144  -46.92396      23.91618 
1 1 1 6   14 8  o 34.271   13.504  7.4207     11.887  3.2221     12.773  34.582     32.486  32.167  13.490  59.431  22.617  -27.26414      26.33467 
1 1 1 6   14 9  o 154.807  10.494  220.495    28.197  189.341    31.977  329.401    59.787  141.413 13.099  179.009 19.441  -37.59517      23.44197 
1 1 1 6   14 10 o 90.887   13.336  79.253     20.534  73.683     22.853  102.592    46.779  86.089  15.785  91.333  27.259  -5.244629      31.49963 
1 1 1 6   14 11 o 40.532   17.806  1.2374     24.287  32.959     36.141  -24.8846   32.796  58.921  23.442  38.648  18.294  20.27324       29.73545 
1 1 1 6   14 12 o 89.415   17.182  81.503     25.851  50.836     46.666  95.079     31.050  67.261  26.676  94.959  19.383  -27.69760      32.97427 
1 1 1 6   14 13 f 76.119   18.940  61.611     25.071  55.781     43.558  64.499     30.659  68.870  26.194  75.700  21.929  -6.829987      34.16150 
1 1 1 6   14 14 o 60.903   16.180  38.045     17.499  39.608     22.878  35.840     27.163  60.933  19.232  58.398  20.953  2.534702       28.44081 
1 1 1 6   14 15 o 52.038   16.622  27.488     17.051  19.029     21.874  40.587     27.220  47.281  18.410  61.034  21.049  -13.75325      27.96437 
1 1 1 6   14 16 o 101.002  12.844  98.197     22.139  83.878     29.327  117.168    33.756  88.053  19.581  105.005 19.115  -16.95138      27.36447 
1 1 1 6   14 17 o 42.565   15.820  15.978     15.691  9.4130     19.621  27.623     26.133  40.600  16.848  53.031  20.261  -12.43119      26.35050 
1 1 1 6   14 18 o 76.378   15.288  59.238     19.677  57.479     24.865  62.185     32.185  72.239  19.332  72.269  22.810  -0.2984619E-01 29.90059 
1 1 1 6   14 19 f 168.069  11.358  266.746    33.135  227.320    44.274  316.950    49.960  147.797 17.496  176.307 16.418  -28.51039      23.99265 
1 1 1 6   14 20 o 102.725  13.718  104.077    23.990  113.084    29.952  87.958     40.069  104.053 17.078  82.453  25.361  21.59996       30.57537 
1 1 1 6   14 21 o 64.320   17.158  44.518     19.625  34.032     24.175  64.784     33.608  55.714  19.791  72.116  23.368  -16.40190      30.62209 
1 1 1 6   14 22 o 29.338   13.302  -4.6639    14.727  0.4025     17.517  -16.8793   27.200  34.147  15.057  35.622  16.800  -1.474655      22.56037 
1 1 1 6   14 23 o 57.474   19.343  37.336     22.965  27.587     25.179  85.562     56.002  51.505  19.836  73.196  29.162  -21.69082      35.26871 
1 1 1 6   14 24 o 44.291   17.578  17.287     20.275  20.884     22.425  1.1737     47.460  47.004  18.539  48.846  22.763  -1.841679      29.35761 
1 1 1 6   14 25 o 66.655   19.393  51.782     23.931  41.440     27.132  88.013     50.784  58.800  20.958  74.135  28.263  -15.33498      35.18505 
1 1 1 6   14 26 o 53.062   17.883  31.426     19.629  36.197     26.175  25.294     29.671  55.500  20.472  50.296  20.782  5.203716       29.17179 
1 1 1 6   14 27 o 64.267   17.412  46.551     20.024  24.978     26.872  73.487     30.026  49.302  20.005  76.581  21.548  -27.27914      29.40210 
1 1 1 6   14 28 o 89.484   14.630  83.523     22.069  74.127     30.187  94.312     32.345  76.295  21.654  87.169  21.407  -10.87341      30.44899 
1 1 1 6   14 29 o 116.290  13.394  137.649    26.700  138.092    36.577  137.144    39.065  107.535 20.222  104.284 22.139  3.251854       29.98445 
1 1 1 6   14 30 f 59.111   17.335  40.587     19.054  55.187     25.517  22.185     28.647  65.990  20.229  47.304  20.039  18.68597       28.47410 
1 1 1 6   14 31 o 83.411   15.317  75.444     21.486  56.996     29.086  97.600     31.875  64.440  21.768  87.465  21.112  -23.02528      30.32485 
1 1 1 6   14 32 o 37.134   15.574  9.9439     17.024  -4.9720    22.194  31.262     26.533  34.007  15.751  50.321  20.065  -16.31406      25.50905 
1 1 1 6   14 33 o 83.131   17.785  81.767     25.036  46.599     38.558  107.399    32.918  55.096  23.289  90.478  21.206  -35.38186      31.49771 
1 1 1 6   14 34 o 61.217   16.736  44.611     18.402  33.050     24.044  60.962     28.594  50.454  19.396  64.940  21.580  -14.48550      29.01599 
1 1 1 6   15 0  o 143.695  13.649  203.848    33.835  176.619    42.236  252.627    56.531  126.197 19.821  146.295 22.880  -20.09839      30.27183 
1 1 1 6   15 1  o 46.643   16.573  21.808     16.955  12.289     21.054  39.369     28.597  42.212  17.479  58.395  21.419  -16.18264      27.64627 
1 1 1 6   15 2  o 59.875   15.134  37.417     15.830  36.450     18.585  39.973     30.217  57.948  17.156  58.562  21.917  -0.6140137     27.83300 
1 1 1 6   15 3  o 71.302   14.223  51.742     17.087  55.211     20.066  42.589     32.592  72.136  16.313  59.684  22.668  12.45161       27.92770 
1 1 1 6   15 4  o 105.719  12.331  108.896    22.335  93.126     25.496  160.921    46.309  94.481  16.028  114.099 24.005  -19.61756      28.86395 
1 1 1 6   15 5  o 54.306   17.174  32.043     18.238  31.690     21.106  33.083     36.236  53.688  18.534  55.389  22.933  -1.701733      29.48655 
1 1 1 6   15 6  o 47.743   16.686  23.608     17.131  23.280     19.626  24.659     35.112  47.831  17.710  51.868  22.087  -4.036827      28.31031 
1 1 1 6   15 7  o 143.685  17.507  221.686    43.013  161.159    59.868  286.265    61.840  99.734  31.053  151.785 24.142  -52.05168      39.33365 
1 1 1 6   15 8  o 85.455   20.453  85.661     30.111  45.049     41.103  132.701    44.236  59.637  24.532  100.149 25.291  -40.51176      35.23424 
1 1 1 6   15 9  o 57.718   15.542  35.631     16.011  40.030     17.587  14.335     38.696  60.736  16.261  48.957  21.933  11.77859       27.30355 
1 1 1 6   15 10 o 71.390   18.126  57.571     22.635  56.105     26.957  61.077     41.678  67.746  20.796  65.350  25.421  2.396439       32.84381 
1 1 1 6   15 11 o 29.118   13.493  -8.2343    16.311  -11.4095   19.014  0.6129     31.739  30.453  14.262  42.146  19.270  -11.69272      23.97420 
1 1 1 6   15 12 o 102.383  12.571  104.097    22.002  90.004     24.716  157.881    48.285  91.892  15.985  106.977 26.085  -15.08488      30.59329 
1 1 1 6   15 13 o 29.796   12.747  2.6166     11.794  4.0846     12.550  -8.4726    34.493  31.394  13.280  40.752  19.125  -9.357033      23.28349 
1 1 1 6   15 14 o 46.704   17.755  22.881     20.005  10.678     23.678  53.327     37.400  41.536  17.920  61.499  24.037  -19.96340      29.98193 
1 1 1 6   15 15 o 177.124  19.196  362.212    58.417  328.445    84.082  393.719    81.219  130.067 35.864  159.399 30.289  -29.33235      46.94324 
1 1 1 6   15 16 o 62.313   18.500  46.250     21.589  45.701     25.299  47.719     41.410  60.155  20.302  57.932  24.292  2.222958       31.65892 
1 1 1 6   15 17 o 53.425   17.049  32.815     17.942  25.116     23.736  43.079     27.405  47.900  19.016  57.568  20.991  -9.668049      28.32371 
1 1 1 6   15 18 o 46.392   17.597  23.589     19.626  -3.2516    22.529  108.071    39.969  35.076  16.110  85.413  25.124  -50.33683      29.84539 
1 1 1 6   15 19 o 31.778   14.236  -0.2069    16.302  7.6094     18.976  -22.2334   31.855  37.121  16.029  35.481  17.122  1.639782       23.45370 
1 1 1 6   15 20 o 44.562   17.339  21.384     19.394  5.0495     23.016  61.378     36.015  37.951  16.965  62.711  23.826  -24.75946      29.24870 
1 1 1 6   15 21 o 45.730   17.416  23.641     19.272  32.427     22.852  1.9977     35.866  50.950  19.061  41.913  19.617  9.037056       27.35234 
1 1 1 6   15 22 o 53.569   18.001  35.642     19.888  34.128     24.519  38.554     34.003  51.322  19.621  52.318  21.979  -0.9963837     29.46302 
1 1 1 6   15 23 o 23.317   11.370  -20.6195   15.048  -17.3738   17.581  -29.5085   29.096  26.531  12.782  31.916  15.617  -5.384918      20.18062 
1 1 1 6   15 24 o 64.970   18.188  53.272     21.450  57.487     26.775  45.719     35.839  63.448  20.873  53.686  22.560  9.761723       30.73516 
1 1 1 7   0  0  o 67.114   23.696  51.889     25.232  51.889     25.232  51.889     25.232  67.114  23.696  67.114  23.696  0.000000       0.000000 
1 1 1 7   0  1  o 59.895   23.105  42.879     22.916  42.879     22.916  42.879     22.916  59.895  23.105  59.895  23.105  0.000000       0.000000 
1 1 1 7   0  2  o 973.339  56.819  8665.00    958.123 8665.00    958.123 8665.00    958.123 973.339 56.819  973.339 56.819  0.000000       0.000000 
1 1 1 7   0  3  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 7   0  4  o 52.483   22.307  34.266     20.761  34.266     20.761  34.266     20.761  52.483  22.307  52.483  22.307  0.000000       0.000000 
1 1 1 7   0  5  o 72.750   24.048  59.414     27.150  59.414     27.150  59.414     27.150  72.750  24.048  72.750  24.048  0.000000       0.000000 
1 1 1 7   0  6  o 415.025  20.013  1521.74    144.260 1521.74    144.260 1521.74    144.260 415.025 20.013  415.025 20.013  0.000000       0.000000 
1 1 1 7   0  7  o 18.395   11.201  2.5938     6.7557  2.5938     6.7557  2.5938     6.7557  18.395  11.201  18.395  11.201  0.000000       0.000000 
1 1 1 7   0  8  o 28.560   14.489  10.468     9.0230  10.468     9.0230  10.468     9.0230  28.560  14.489  28.560  14.489  0.000000       0.000000 
1 1 1 7   0  9  o 33.181   15.827  14.147     10.499  14.147     10.499  14.147     10.499  33.181  15.827  33.181  15.827  0.000000       0.000000 
1 1 1 7   0  10 o 277.961  16.393  684.025    78.929  684.025    78.929  684.025    78.929  277.961 16.393  277.961 16.393  0.000000       0.000000 
1 1 1 7   0  11 f 139.423  14.212  175.406    33.774  175.406    33.774  175.406    33.774  139.423 14.212  139.423 14.212  0.000000       0.000000 
1 1 1 7   0  12 o 452.845  21.170  1813.65    166.560 1813.65    166.560 1813.65    166.560 452.845 21.170  452.845 21.170  0.000000       0.000000 
1 1 1 7   0  13 o 222.664  15.237  440.365    58.601  440.365    58.601  440.365    58.601  222.664 15.237  222.664 15.237  0.000000       0.000000 
1 1 1 7   0  14 o 29.492   15.102  11.147     9.8544  11.147     9.8544  11.147     9.8544  29.492  15.102  29.492  15.102  0.000000       0.000000 
1 1 1 7   0  15 o 237.897  15.468  502.111    63.631  502.111    63.631  502.111    63.631  237.897 15.468  237.897 15.468  0.000000       0.000000 
1 1 1 7   0  16 o 125.898  13.305  143.317    28.501  143.317    28.501  143.317    28.501  125.898 13.305  125.898 13.305  0.000000       0.000000 
1 1 1 7   0  17 f 644.119  39.534  3747.87    440.792 3747.87    440.792 3747.87    440.792 644.119 39.534  644.119 39.534  0.000000       0.000000 
1 1 1 7   0  18 o 24.707   14.712  5.6981     11.140  5.6981     11.140  5.6981     11.140  24.707  14.712  24.707  14.712  0.000000       0.000000 
1 1 1 7   0  19 o 68.404   23.755  53.596     25.617  53.596     25.617  53.596     25.617  68.404  23.755  68.404  23.755  0.000000       0.000000 
1 1 1 7   0  20 o 219.729  21.973  436.786    82.368  436.786    82.368  436.786    82.368  219.729 21.973  219.729 21.973  0.000000       0.000000 
1 1 1 7   0  21 o ?        ?       -9.9178    2.5783  -9.9178    2.5783  -9.9178    2.5783  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 7   0  22 o 295.075  15.237  768.525    78.026  768.525    78.026  768.525    78.026  295.075 15.237  295.075 15.237  0.000000       0.000000 
1 1 1 7   0  23 o 161.941  13.969  234.566    38.824  234.566    38.824  234.566    38.824  161.941 13.969  161.941 13.969  0.000000       0.000000 
1 1 1 7   0  24 o 168.150  23.424  262.267    64.957  262.267    64.957  262.267    64.957  168.150 23.424  168.150 23.424  0.000000       0.000000 
1 1 1 7   0  25 o 114.041  28.045  132.930    48.356  132.930    48.356  132.930    48.356  114.041 28.045  114.041 28.045  0.000000       0.000000 
1 1 1 7   0  26 o 46.552   19.470  26.753     15.858  26.753     15.858  26.753     15.858  46.552  19.470  46.552  19.470  0.000000       0.000000 
1 1 1 7   0  27 o 680.369  27.527  4094.44    325.801 4094.44    325.801 4094.44    325.801 680.369 27.527  680.369 27.527  0.000000       0.000000 
1 1 1 7   0  28 o 659.774  27.558  3851.28    316.215 3851.28    316.215 3851.28    316.215 659.774 27.558  659.774 27.558  0.000000       0.000000 
1 1 1 7   0  29 f 18.605   13.027  -16.4513   15.842  -16.4513   15.842  -16.4513   15.842  18.605  13.027  18.605  13.027  0.000000       0.000000 
1 1 1 7   0  30 o 207.512  23.205  391.908    81.385  391.908    81.385  391.908    81.385  207.512 23.205  207.512 23.205  0.000000       0.000000 
1 1 1 7   0  31 o 455.598  30.712  1855.31    241.768 1855.31    241.768 1855.31    241.768 455.598 30.712  455.598 30.712  0.000000       0.000000 
1 1 1 7   0  32 o 63.879   30.545  52.787     39.129  52.787     39.129  52.787     39.129  63.879  30.545  63.879  30.545  0.000000       0.000000 
1 1 1 7   0  33 o 188.588  23.905  327.051    75.272  327.051    75.272  327.051    75.272  188.588 23.905  188.588 23.905  0.000000       0.000000 
1 1 1 7   0  34 o 560.605  24.357  2778.67    237.398 2778.67    237.398 2778.67    237.398 560.605 24.357  560.605 24.357  0.000000       0.000000 
1 1 1 7   0  35 o 634.766  26.186  3565.44    289.106 3565.44    289.106 3565.44    289.106 634.766 26.186  634.766 26.186  0.000000       0.000000 
1 1 1 7   0  36 f 634.627  26.960  3567.81    297.517 3567.81    297.517 3567.81    297.517 634.627 26.960  634.627 26.960  0.000000       0.000000 
1 1 1 7   0  37 o 391.623  19.183  1355.10    130.454 1355.10    130.454 1355.10    130.454 391.623 19.183  391.623 19.183  0.000000       0.000000 
1 1 1 7   0  38 o 826.793  33.573  6090.94    482.854 6090.94    482.854 6090.94    482.854 826.793 33.573  826.793 33.573  0.000000       0.000000 
1 1 1 7   0  39 o 599.750  26.032  3188.99    271.440 3188.99    271.440 3188.99    271.440 599.750 26.032  599.750 26.032  0.000000       0.000000 
1 1 1 7   0  40 o 118.166  19.979  132.501    37.684  132.501    37.684  132.501    37.684  118.166 19.979  118.166 19.979  0.000000       0.000000 
1 1 1 7   0  41 o 168.529  16.920  256.486    48.640  256.486    48.640  256.486    48.640  168.529 16.920  168.529 16.920  0.000000       0.000000 
1 1 1 7   0  42 o 53.207   29.893  33.741     42.034  33.741     42.034  33.741     42.034  53.207  29.893  53.207  29.893  0.000000       0.000000 
1 1 1 7   0  43 o 124.466  32.807  162.442    61.600  162.442    61.600  162.442    61.600  124.466 32.807  124.466 32.807  0.000000       0.000000 
1 1 1 7   0  44 o 107.114  35.393  130.185    58.826  130.185    58.826  130.185    58.826  107.114 35.393  107.114 35.393  0.000000       0.000000 
1 1 1 7   0  45 o 33.537   23.135  -34.0337   45.297  -34.0337   45.297  -34.0337   45.297  33.537  23.135  33.537  23.135  0.000000       0.000000 
1 1 1 7   0  46 o 416.507  21.575  1542.90    155.945 1542.90    155.945 1542.90    155.945 416.507 21.575  416.507 21.575  0.000000       0.000000 
1 1 1 7   0  47 o 50.354   29.624  26.550     44.217  26.550     44.217  26.550     44.217  50.354  29.624  50.354  29.624  0.000000       0.000000 
1 1 1 7   0  48 o 126.321  24.530  155.945    48.245  155.945    48.245  155.945    48.245  126.321 24.530  126.321 24.530  0.000000       0.000000 
1 1 1 7   0  49 o 244.039  17.829  533.256    75.039  533.256    75.039  533.256    75.039  244.039 17.829  244.039 17.829  0.000000       0.000000 
1 1 1 7   0  50 o 53.829   27.964  37.961     34.107  37.961     34.107  37.961     34.107  53.829  27.964  53.829  27.964  0.000000       0.000000 
1 1 1 7   0  51 o 418.555  20.603  1566.04    149.739 1566.04    149.739 1566.04    149.739 418.555 20.603  418.555 20.603  0.000000       0.000000 
1 1 1 7   0  52 o 397.143  19.712  1411.03    135.920 1411.03    135.920 1411.03    135.920 397.143 19.712  397.143 19.712  0.000000       0.000000 
1 1 1 7   0  53 o 353.439  27.833  1153.09    169.317 1153.09    169.317 1153.09    169.317 353.439 27.833  353.439 27.833  0.000000       0.000000 
1 1 1 7   0  54 o 46.960   27.990  23.012     40.388  23.012     40.388  23.012     40.388  46.960  27.990  46.960  27.990  0.000000       0.000000 
1 1 1 7   0  55 o 74.267   33.624  74.061     46.984  74.061     46.984  74.061     46.984  74.267  33.624  74.267  33.624  0.000000       0.000000 
1 1 1 7   0  56 o 44.345   26.946  18.633     38.917  18.633     38.917  18.633     38.917  44.345  26.946  44.345  26.946  0.000000       0.000000 
1 1 1 7   0  57 o 91.619   25.625  91.590     35.473  91.590     35.473  91.590     35.473  91.619  25.625  91.619  25.625  0.000000       0.000000 
1 1 1 7   0  58 o 129.805  20.778  163.247    43.475  163.247    43.475  163.247    43.475  129.805 20.778  129.805 20.778  0.000000       0.000000 
1 1 1 7   0  59 o 58.305   27.455  46.598     31.488  46.598     31.488  46.598     31.488  58.305  27.455  58.305  27.455  0.000000       0.000000 
1 1 1 7   0  60 o 78.284   27.525  74.366     34.131  74.366     34.131  74.366     34.131  78.284  27.525  78.284  27.525  0.000000       0.000000 
1 1 1 7   0  61 o 104.236  24.074  114.603    38.131  114.603    38.131  114.603    38.131  104.236 24.074  104.236 24.074  0.000000       0.000000 
1 1 1 7   0  62 o 114.883  22.336  134.733    39.943  134.733    39.943  134.733    39.943  114.883 22.336  114.883 22.336  0.000000       0.000000 
1 1 1 7   0  63 o 21.319   15.227  -35.5615   25.580  -35.5615   25.580  -35.5615   25.580  21.319  15.227  21.319  15.227  0.000000       0.000000 
1 1 1 7   0  64 o 80.125   35.073  95.335     51.145  95.335     51.145  95.335     51.145  80.125  35.073  80.125  35.073  0.000000       0.000000 
1 1 1 7   0  65 o 45.234   27.838  25.157     42.749  25.157     42.749  25.157     42.749  45.234  27.838  45.234  27.838  0.000000       0.000000 
1 1 1 7   0  66 o 189.704  27.628  385.382    85.850  385.382    85.850  385.382    85.850  189.704 27.628  189.704 27.628  0.000000       0.000000 
1 1 1 7   0  67 o 24.115   16.849  -20.8503   26.101  -20.8503   26.101  -20.8503   26.101  24.115  16.849  24.115  16.849  0.000000       0.000000 
1 1 1 7   0  68 o 76.413   28.832  79.974     36.027  79.974     36.027  79.974     36.027  76.413  28.832  76.413  28.832  0.000000       0.000000 
1 1 1 7   0  69 o 25.747   17.746  -13.6219   26.509  -13.6219   26.509  -13.6219   26.509  25.747  17.746  25.747  17.746  0.000000       0.000000 
1 1 1 7   0  70 o 91.958   34.177  126.525    51.014  126.525    51.014  126.525    51.014  91.958  34.177  91.958  34.177  0.000000       0.000000 
1 1 1 7   0  71 o 78.038   28.040  84.713     34.959  84.713     34.959  84.713     34.959  78.038  28.040  78.038  28.040  0.000000       0.000000 
1 1 1 7   1  0  o 421.131  16.352  1559.13    120.238 1569.70    208.245 1553.84    147.265 418.650 28.660  419.675 20.097  -1.025360      35.00409 
1 1 1 7   1  1  o 575.328  20.328  2921.34    204.207 3030.12    353.697 2866.96    250.101 578.784 35.165  568.299 25.204  10.48474       43.26497 
1 1 1 7   1  2  o 447.228  14.524  1756.11    113.419 1625.74    160.379 1886.55    160.418 428.887 21.416  462.403 19.869  -33.51611      29.21335 
1 1 1 7   1  3  o 345.269  12.515  1045.23    75.451  906.066    106.686 1184.49    106.721 319.984 19.183  366.946 16.657  -46.96176      25.40559 
1 1 1 7   1  4  o 80.644   11.100  58.035     15.215  60.133     18.576  53.757     26.524  81.723  13.489  76.617  19.713  5.105560       23.88605 
1 1 1 7   1  5  o 280.610  13.155  690.862    64.456  676.847    78.932  718.915    111.672 276.897 16.399  283.998 22.710  -7.101227      28.01170 
1 1 1 7   1  6  o 179.511  11.584  283.601    36.115  304.774    44.229  241.242    62.560  185.828 13.728  163.556 22.502  22.27185       26.35922 
1 1 1 7   1  7  o 112.588  10.963  112.111    21.278  121.964    26.080  92.491     36.802  117.192 12.962  100.343 21.641  16.84879       25.22578 
1 1 1 7   1  8  o 132.828  9.2899  155.197    21.410  181.099    30.361  129.576    30.196  143.173 12.263  120.557 14.646  22.61619       19.10201 
1 1 1 7   1  9  o 311.593  11.945  851.521    64.989  805.025    91.889  898.057    91.928  301.682 17.520  318.904 16.566  -17.22281      24.11184 
1 1 1 7   1  10 o 283.808  11.418  706.240    56.583  723.319    80.032  689.172    80.010  286.175 16.082  279.235 16.483  6.940063       23.02869 
1 1 1 7   1  11 o 207.290  10.206  376.466    36.940  401.582    52.263  351.391    52.220  213.292 14.113  199.288 15.120  14.00415       20.68281 
1 1 1 7   1  12 o 93.293   9.2015  76.945     14.794  92.079     21.101  62.315     20.747  101.729 12.118  82.934  14.873  18.79489       19.18490 
1 1 1 7   1  13 o 323.278  11.865  916.981    66.974  879.743    94.547  954.484    94.884  315.318 17.238  328.634 16.589  -13.31647      23.92381 
1 1 1 7   1  14 o 216.378  10.237  410.303    38.678  370.476    54.437  450.903    54.963  204.564 15.353  226.036 13.995  -21.47099      20.77415 
1 1 1 7   1  15 o 230.724  11.927  468.395    47.884  489.025    58.911  428.228    82.203  235.350 14.405  218.545 21.834  16.80501       26.15785 
1 1 1 7   1  16 o 149.479  10.519  196.818    27.279  235.118    33.945  126.990    45.835  163.245 11.993  117.508 23.162  45.73642       26.08308 
1 1 1 7   1  17 o 181.311  11.348  289.452    35.744  308.043    44.180  254.221    60.818  186.722 13.645  168.016 21.203  18.70572       25.21437 
1 1 1 7   1  18 o 230.913  15.211  471.320    60.987  508.863    86.294  433.856    86.204  238.707 20.915  219.791 22.794  18.91591       30.93531 
1 1 1 7   1  19 o 99.192   19.942  90.104     33.341  0.0000     0.0000  90.104     33.341  ?       ?       99.192  19.942  0.000000       19.94205 
1 1 1 7   1  20 o 558.903  19.735  2763.23    192.592 2884.77    333.517 2702.43    235.899 562.904 34.094  550.762 24.530  12.14203       42.00126 
1 1 1 7   1  21 o 396.286  19.151  1387.63    132.515 0.0000     0.0000  1387.63    132.515 ?       ?       396.286 19.151  0.000000       19.15105 
1 1 1 7   1  22 o 181.448  10.855  289.523    34.234  364.465    61.305  255.566    41.267  202.611 17.501  169.999 14.028  32.61183       22.42900 
1 1 1 7   1  23 o 259.055  12.396  588.581    56.073  680.396    98.220  544.188    68.296  276.711 20.474  248.244 15.839  28.46744       25.88549 
1 1 1 7   1  24 o 335.241  12.036  985.216    70.456  948.252    99.800  1021.94    99.480  327.688 17.506  340.783 16.718  -13.09500      24.20662 
1 1 1 7   1  25 o 105.342  11.180  98.298     20.249  153.831    39.110  77.959     23.669  131.053 17.531  93.037  15.087  38.01595       23.12869 
1 1 1 7   1  26 o 208.391  10.086  380.182    36.699  396.672    52.277  364.159    51.531  212.108 14.197  203.126 14.627  8.981522       20.38419 
1 1 1 7   1  27 o 617.697  20.718  3369.53    223.457 3926.42    387.542 3092.18    273.500 659.810 33.751  589.565 26.568  70.24554       42.95385 
1 1 1 7   1  28 o 95.626   11.704  81.311     19.135  110.723    28.315  56.592     25.959  111.305 14.947  78.578  19.105  32.72721       24.25732 
1 1 1 7   1  29 o 164.283  10.485  237.272    29.919  257.894    43.116  218.122    41.550  170.769 14.600  156.829 15.371  13.93987       21.19987 
1 1 1 7   1  30 o 598.135  25.891  3180.20    270.399 3150.41    382.627 3209.92    382.176 588.585 37.425  594.401 37.007  -5.816711      52.63226 
1 1 1 7   1  31 o 466.543  21.365  1924.21    174.046 2068.04    246.577 1781.40    245.702 480.105 29.558  444.482 31.870  35.62280       43.46678 
1 1 1 7   1  32 o 343.998  17.986  1045.32    107.656 891.736    151.509 1201.95    153.000 315.017 27.831  367.323 23.987  -52.30554      36.74154 
1 1 1 7   1  33 o 379.542  18.840  1270.62    124.856 1085.67    176.175 1457.26    176.976 347.174 29.337  404.093 25.208  -56.91962      38.67976 
1 1 1 7   1  34 o 449.456  14.819  1775.28    116.296 1746.18    164.320 1804.49    164.616 444.238 21.184  451.683 20.873  -7.444672      29.73941 
1 1 1 7   1  35 o 551.756  17.048  2681.82    164.242 2558.38    232.122 2805.58    232.425 536.240 24.791  562.009 23.685  -25.76898      34.28672 
1 1 1 7   1  36 o 764.904  22.109  5188.29    295.290 4845.30    417.486 5531.67    417.720 732.530 32.640  784.346 30.501  -51.81555      44.67326 
1 1 1 7   1  37 o 466.112  15.048  1911.14    122.471 1730.26    172.944 2093.10    173.458 440.904 22.540  486.258 20.430  -45.35431      30.42080 
1 1 1 7   1  38 o 413.987  14.142  1506.72    102.224 1475.23    144.312 1538.43    144.822 408.153 20.250  416.906 19.894  -8.752716      28.38732 
1 1 1 7   1  39 o 430.735  16.798  1636.50    126.333 1465.75    218.512 1722.23    154.834 401.458 31.423  440.897 20.112  -39.43890      37.30867 
1 1 1 7   1  40 o 67.717   16.875  42.053     19.880  37.629     26.401  47.847     30.214  65.505  20.657  72.981  21.936  -7.475189      30.13140 
1 1 1 7   1  41 o 247.432  11.492  537.365    49.649  478.930    69.575  598.000    70.872  232.194 17.285  259.962 15.687  -27.76860      23.34194 
1 1 1 7   1  42 o 224.140  16.651  446.197    64.702  463.303    91.086  428.775    91.924  226.601 23.356  217.507 24.639  9.093323       33.94967 
1 1 1 7   1  43 o 172.206  25.347  271.664    73.935  0.0000     0.0000  271.664    73.935  ?       ?       172.206 25.347  0.000000       25.34706 
1 1 1 7   1  44 o 194.505  17.210  337.604    57.845  333.476    81.404  341.814    82.214  191.053 25.002  193.491 24.913  -2.437653      35.29539 
1 1 1 7   1  45 o ?        ?       -160.4846  25.836  -184.5845  36.012  -134.9254  37.086  ?       ?       28.520  14.467  0.000000       14.46735 
1 1 1 7   1  46 o 513.398  16.735  2338.17    150.016 2187.07    211.717 2490.53    212.596 491.374 24.756  526.071 23.145  -34.69745      33.88984 
1 1 1 7   1  47 o 80.858   20.980  60.816     29.875  70.544     39.916  48.425     45.048  87.078  24.963  76.767  27.042  10.31171       36.80274 
1 1 1 7   1  48 o 201.203  12.614  358.670    44.089  345.252    60.671  373.684    64.180  195.931 17.933  203.804 18.228  -7.872986      25.57056 
1 1 1 7   1  49 o 234.202  14.561  488.412    59.249  544.068    100.196 458.485    73.472  243.368 23.887  225.401 18.841  17.96754       30.42296 
1 1 1 7   1  50 o 75.198   18.569  52.777     24.237  26.867     33.226  82.243     35.433  61.325  22.976  93.353  22.083  -32.02817      31.86809 
1 1 1 7   1  51 o 198.122  14.043  350.877    48.266  379.199    82.316  336.037    59.584  201.774 23.824  192.458 17.938  9.316666       29.82185 
1 1 1 7   1  52 o 170.885  12.265  260.405    36.354  237.100    50.578  285.313    52.288  160.941 18.325  177.214 17.111  -16.27283      25.07197 
1 1 1 7   1  53 o 81.540   20.336  63.305     28.855  47.673     32.749  117.569    61.016  71.858  23.044  108.048 30.827  -36.18974      38.48837 
1 1 1 7   1  54 f 56.018   22.358  17.663     32.972  20.713     40.501  11.671     56.777  61.209  24.656  65.931  28.081  -4.721951      37.36925 
1 1 1 7   1  55 o 140.409  19.200  184.920    45.838  169.491    61.816  203.766    68.319  129.463 28.149  142.029 28.539  -12.56654      40.08532 
1 1 1 7   1  56 o 81.616   19.969  64.582     28.224  54.440     46.488  70.503     35.520  76.686  27.422  84.381  23.328  -7.694588      36.00208 
1 1 1 7   1  57 o 104.445  15.041  101.318    26.639  104.760    36.529  97.408     38.933  103.558 20.922  98.773  23.003  4.784164       31.09434 
1 1 1 7   1  58 o 59.442   19.027  33.309     22.334  9.0922     30.458  61.474     32.847  49.785  20.853  78.217  22.710  -28.43106      30.83165 
1 1 1 7   1  59 o 51.214   18.705  21.819     21.776  32.378     29.492  9.1612     32.290  60.236  21.804  50.587  21.344  9.649155       30.51192 
1 1 1 7   1  60 o 118.193  14.351  130.704    29.010  114.259    39.766  149.413    42.414  105.682 22.254  122.487 20.560  -16.80503      30.29764 
1 1 1 7   1  61 o 162.441  12.722  243.640    35.796  237.712    49.503  250.137    51.822  155.839 18.557  159.513 18.979  -3.673355      26.54366 
1 1 1 7   1  62 o 73.937   18.876  55.739     24.452  57.476     33.217  53.685     36.127  73.299  23.177  71.002  24.259  2.296745       33.55144 
1 1 1 7   1  63 o 96.888   19.227  96.177     31.379  133.870    51.862  74.409     39.412  106.617 27.632  80.864  25.199  25.75219       37.39627 
1 1 1 7   1  64 o 66.963   21.060  48.184     27.457  5.7428     45.476  72.531     34.444  53.282  23.830  80.307  23.238  -27.02505      33.28474 
1 1 1 7   1  65 o 56.277   22.058  29.856     31.563  32.088     43.079  27.270     46.377  59.831  24.908  59.009  25.262  0.8227730      35.47632 
1 1 1 7   1  66 o 26.944   13.192  -34.4128   20.862  -24.6744   23.960  -64.9349   42.418  31.854  15.235  37.159  18.316  -5.304577      23.82351 
1 1 1 7   1  67 o 68.045   21.709  53.702     29.092  43.913     34.433  78.118     54.382  61.905  23.350  74.248  28.995  -12.34269      37.22841 
1 1 1 7   1  68 o 66.708   19.835  50.625     24.803  63.241     32.669  33.458     38.109  71.673  23.019  56.787  23.516  14.88626       32.90715 
1 1 1 7   1  69 o 49.298   19.597  23.608     25.238  17.104     28.924  44.355     51.661  47.399  20.111  60.436  26.271  -13.03708      33.08490 
1 1 1 7   1  70 o 55.905   20.615  36.933     26.539  48.413     30.344  -0.4187    54.736  61.748  22.147  49.725  23.565  12.02287       32.33903 
1 1 1 7   2  0  o 245.023  12.428  527.803    52.997  607.605    91.978  488.141    64.843  261.508 20.303  235.082 15.891  26.42557       25.78194 
1 1 1 7   2  1  o 93.988   10.919  78.423     17.585  48.353     21.585  137.782    30.327  72.665  17.267  124.466 14.209  -51.80091      22.36177 
1 1 1 7   2  2  o 417.816  19.661  1541.49    143.434 1402.11    202.772 1681.06    202.921 394.629 29.644  433.396 26.949  -38.76682      40.06268 
1 1 1 7   2  3  o 274.874  13.079  663.026    62.773  710.961    76.886  567.185    108.715 283.918 15.569  251.335 25.109  32.58267       29.54375 
1 1 1 7   2  4  o 361.726  14.867  1150.07    93.899  1159.78    115.006 1130.65    162.630 362.189 18.244  355.175 26.413  7.014404       32.10097 
1 1 1 7   2  5  o 275.277  13.122  665.134    63.069  667.110    77.245  661.182    109.236 274.840 16.168  271.967 23.226  2.872864       28.29893 
1 1 1 7   2  6  o 212.837  11.991  398.549    44.379  390.559    54.347  414.541    76.884  210.245 14.901  215.482 20.689  -5.237717      25.49634 
1 1 1 7   2  7  o 323.205  14.084  917.917    79.480  948.003    97.320  857.664    137.725 327.530 17.076  309.088 25.754  18.44165       30.90074 
1 1 1 7   2  8  o 388.988  18.993  1336.99    129.003 1336.99    129.003 0.0000     0.0000  388.988 18.993  ?       ?       0.000000       18.99334 
1 1 1 7   2  9  o 615.393  18.062  3343.25    194.081 3106.39    274.427 3580.27    274.515 589.359 26.668  633.734 24.808  -44.37494      36.42274 
1 1 1 7   2  10 o 326.841  12.002  937.323    68.495  912.462    96.745  962.309    96.988  321.156 17.316  329.940 16.892  -8.783630      24.19087 
1 1 1 7   2  11 f 487.528  15.254  2092.23    129.855 2062.41    183.571 2122.09    183.714 481.980 21.813  489.013 21.516  -7.032837      30.63873 
1 1 1 7   2  12 o 563.615  16.801  2801.54    165.338 2655.36    233.754 2947.90    233.894 545.608 24.537  575.490 23.277  -29.88184      33.82076 
1 1 1 7   2  13 o 258.615  12.627  587.284    57.019  611.193    69.884  539.672    98.619  263.043 15.281  245.177 23.317  17.86635       27.87871 
1 1 1 7   2  14 f 281.769  13.218  697.541    65.031  661.263    79.655  770.053    112.614 273.320 16.772  293.599 22.130  -20.27890      27.76729 
1 1 1 7   2  15 o 45.363   11.875  18.717     9.5164  9.1719     11.812  36.373     16.065  36.934  13.727  63.045  14.840  -26.11071      20.21487 
1 1 1 7   2  16 o 140.632  10.913  174.425    26.587  200.861    32.989  125.439    44.907  150.731 12.652  116.870 22.825  33.86091       26.09699 
1 1 1 7   2  17 o 515.157  18.019  2343.19    162.085 2527.60    198.603 1975.38    280.486 533.855 21.306  464.803 34.813  69.05185       40.81551 
1 1 1 7   2  18 o 286.457  12.529  720.242    62.664  637.992    107.868 762.140    76.988  266.877 23.384  293.947 15.050  -27.07004      27.80897 
1 1 1 7   2  19 o 184.192  14.145  299.890    45.145  256.734    62.714  346.304    65.038  168.823 21.783  197.068 19.143  -28.24475      28.99902 
1 1 1 7   2  20 o 375.155  14.189  1236.77    92.942  1146.31    160.480 1282.42    114.008 357.609 25.876  381.452 17.117  -23.84271      31.02508 
1 1 1 7   2  21 o 23.711   9.6136  1.9574     6.2007  5.7229     9.6492  -0.6913    8.0929  31.803  12.271  24.469  10.516  7.333593       16.16046 
1 1 1 7   2  22 o 218.060  10.214  416.405    38.891  395.869    54.889  437.107    55.111  211.730 14.943  222.646 14.251  -10.91615      20.64916 
1 1 1 7   2  23 o 231.683  9.9864  469.941    40.398  451.599    57.152  488.257    57.112  226.302 14.541  235.433 13.955  -9.131073      20.15395 
1 1 1 7   2  24 o 356.951  14.511  1118.82    90.440  1141.72    157.120 1107.47    110.599 357.638 25.325  354.155 17.944  3.483337       31.03739 
1 1 1 7   2  25 o 260.828  10.531  595.728    47.963  671.425    67.967  520.639    67.693  276.215 14.140  242.835 16.056  33.38066       21.39450 
1 1 1 7   2  26 o 311.180  11.640  848.469    63.243  944.224    89.773  754.124    89.110  327.785 15.685  292.182 17.548  35.60236       23.53639 
1 1 1 7   2  27 o 519.816  15.789  2374.83    143.305 2563.57    202.883 2186.90    202.445 538.525 21.576  496.870 23.335  41.65506       31.78116 
1 1 1 7   2  28 f 579.333  17.658  2954.77    178.622 3044.51    252.573 2864.98    252.646 585.735 24.696  567.908 25.478  17.82764       35.48278 
1 1 1 7   2  29 o 844.377  28.058  6357.77    413.674 5947.27    716.529 6563.00    506.637 795.441 51.874  853.727 33.987  -58.28607      62.01612 
1 1 1 7   2  30 o 360.391  18.622  1147.76    116.783 1199.79    165.245 1095.83    165.067 366.433 25.995  349.720 27.247  16.71313       37.65847 
1 1 1 7   2  31 o 268.660  16.523  637.356    77.135  596.322    109.186 678.239    108.986 258.057 24.527  275.791 22.838  -17.73355      33.51321 
1 1 1 7   2  32 o 71.865   18.601  47.241     23.521  47.178     35.103  47.293     31.686  73.909  23.875  73.106  22.564  0.8028259      32.84993 
1 1 1 7   2  33 o 480.330  15.487  2028.78    129.892 2011.03    183.753 2046.50    183.638 476.463 22.087  480.711 21.878  -4.248413      31.08876 
1 1 1 7   2  34 o 335.541  12.350  987.589    72.355  913.256    102.126 1062.50    102.525 321.262 18.282  347.320 16.906  -26.05814      24.90028 
1 1 1 7   2  35 o 244.764  11.257  525.160    48.111  535.409    67.920  514.839    68.159  246.147 15.888  241.281 16.274  4.866257       22.74331 
1 1 1 7   2  36 o 433.418  14.368  1651.31    108.732 1606.75    153.631 1696.03    153.909 425.979 20.655  437.807 20.133  -11.82785      28.84428 
1 1 1 7   2  37 o 71.534   14.424  46.594     17.395  53.250     23.354  38.301     26.068  76.172  17.868  65.911  20.486  10.26122       27.18357 
1 1 1 7   2  38 o 237.451  11.073  494.444    45.909  480.494    64.411  508.849    65.451  232.997 15.928  239.846 15.716  -6.849014      22.37586 
1 1 1 7   2  39 o 278.318  11.668  679.780    56.700  682.984    79.710  676.498    80.671  277.779 16.509  276.387 16.796  1.391815       23.55061 
1 1 1 7   2  40 o 257.264  11.333  580.808    50.908  512.065    71.393  651.919    72.613  240.180 17.136  271.550 15.378  -31.37032      23.02435 
1 1 1 7   2  41 o 269.970  13.883  643.183    65.222  680.470    112.463 624.287    80.061  274.978 23.653  265.157 17.389  9.820923       29.35732 
1 1 1 7   2  42 o 170.594  24.916  266.195    72.028  0.0000     0.0000  266.195    72.028  ?       ?       170.594 24.916  0.000000       24.91593 
1 1 1 7   2  43 o 55.292   20.982  19.685     27.907  50.843     41.703  -5.5845    37.556  77.298  26.066  51.348  22.360  25.95044       34.34206 
1 1 1 7   2  44 o 262.199  13.819  607.805    63.044  581.694    76.562  662.797    111.109 255.594 17.256  270.636 23.753  -15.04173      29.35960 
1 1 1 7   2  45 o 365.169  15.377  1179.68    98.044  1166.43    119.322 1207.22    172.020 361.409 18.975  363.409 27.309  -2.000031      33.25413 
1 1 1 7   2  46 f ?        ?       -139.9617  15.997  -155.1861  18.219  -88.7103   33.428  ?       ?       30.562  15.264  0.000000       15.26353 
1 1 1 7   2  47 o 161.729  12.466  232.063    34.932  201.010    46.411  272.641    53.053  149.054 18.211  174.052 17.703  -24.99841      25.39826 
1 1 1 7   2  48 o 285.689  13.764  722.567    68.660  706.096    84.403  754.788    118.053 280.795 17.299  287.228 23.752  -6.433594      29.38406 
1 1 1 7   2  49 o 269.140  13.559  643.518    63.514  579.800    77.262  776.323    111.543 253.951 17.532  291.673 22.065  -37.72235      28.18209 
1 1 1 7   2  50 o 305.360  12.367  825.622    65.938  793.232    91.937  859.933    94.622  296.591 17.836  308.968 17.612  -12.37723      25.06628 
1 1 1 7   2  51 o 468.095  14.670  1956.14    119.903 1625.07    168.553 2295.31    170.603 419.317 23.111  502.885 19.429  -83.56851      30.19258 
1 1 1 7   2  52 o 46.947   18.265  13.223     21.517  9.5958     23.978  28.221     48.761  46.730  18.919  68.303  27.212  -21.57232      33.14229 
1 1 1 7   2  53 o 84.996   17.978  68.048     25.848  64.603     29.463  79.561     53.855  82.166  20.580  90.457  29.596  -8.291176      36.04791 
1 1 1 7   2  54 o 217.504  16.260  431.698    61.304  361.739    82.839  516.394    91.147  193.339 25.133  233.431 22.648  -40.09242      33.83193 
1 1 1 7   2  55 o 164.886  18.639  254.060    52.720  0.0000     0.0000  254.060    52.720  ?       ?       164.886 18.639  0.000000       18.63910 
1 1 1 7   2  56 o 155.309  14.298  220.496    38.339  198.002    59.445  236.517    50.168  140.866 25.088  158.608 18.460  -17.74240      31.14790 
1 1 1 7   2  57 o 23.552   11.541  -30.4319   16.064  -35.6442   18.628  -15.3157   31.724  25.223  12.373  42.306  19.313  -17.08369      22.93710 
1 1 1 7   2  58 o 135.991  12.940  169.378    30.356  156.839    39.789  186.841    46.956  127.902 18.342  138.689 19.966  -10.78627      27.11185 
1 1 1 7   2  59 f 110.541  14.482  114.369    27.279  130.135    35.114  90.366     43.325  116.093 17.898  91.858  25.896  24.23550       31.47922 
1 1 1 7   2  60 o 140.981  12.996  183.826    31.632  176.708    40.877  194.451    49.942  135.043 17.767  138.945 21.262  -3.901794      27.70805 
1 1 1 7   2  61 o 41.407   17.137  7.6691     20.221  12.634     23.915  -4.7821    37.873  46.353  18.848  48.108  21.615  -1.754944      28.67892 
1 1 1 7   2  62 o 125.215  17.143  154.065    36.496  132.697    59.226  167.146    46.340  103.243 30.640  126.445 21.775  -23.20152      37.58890 
1 1 1 7   2  63 o 72.822   21.685  57.493     29.628  36.095     47.361  71.252     37.977  63.454  26.241  78.930  24.759  -15.47640      36.07730 
1 1 1 7   2  64 o 39.618   18.826  -28.2924   35.398  -28.2924   35.398  0.0000     0.0000  39.618  18.826  ?       ?       0.000000       18.82625 
1 1 1 7   2  65 o 31.014   14.481  -13.5042   19.356  -27.2458   21.195  55.508     47.499  28.905  13.953  68.384  26.979  -39.47907      30.37346 
1 1 1 7   2  66 o 82.576   19.273  73.963     27.282  72.793     31.036  77.941     57.228  79.698  21.712  74.482  29.541  5.216476       36.66161 
1 1 1 7   2  67 o 49.183   23.053  -8.1130    49.849  0.0000     0.0000  -8.1130    49.849  ?       ?       49.183  23.053  0.000000       23.05309 
1 1 1 7   2  68 o 68.308   22.676  57.774     31.572  49.405     54.162  62.081     38.857  62.637  27.063  68.481  24.991  -5.844086      36.83668 
1 1 1 7   2  69 o 94.674   22.935  111.338    37.513  98.879     60.430  119.148    47.848  74.816  30.124  89.984  27.720  -15.16765      40.93716 
1 1 1 7   2  70 o 36.185   16.539  -3.4496    23.355  -3.3887    30.867  -3.5311    35.718  40.400  18.664  42.545  19.800  -2.145470      27.21049 
1 1 1 7   3  0  o 244.072  10.670  522.000    45.473  583.603    64.357  460.583    64.260  257.293 14.383  228.152 16.237  29.14064       21.69098 
1 1 1 7   3  1  o 328.850  12.246  948.764    70.314  935.429    99.451  962.092    99.426  325.229 17.578  329.905 17.321  -4.676392      24.67802 
1 1 1 7   3  2  o 355.261  12.375  1107.45    76.766  1047.04    108.506 1168.00    108.620 343.978 18.130  364.010 17.090  -20.03149      24.91491 
1 1 1 7   3  3  o 213.955  11.038  402.336    41.094  481.887    71.322  362.802    50.279  233.077 17.656  202.665 14.300  30.41154       22.72083 
1 1 1 7   3  4  o 434.467  16.449  1663.10    124.785 1596.55    216.115 1696.39    152.836 420.465 29.626  437.842 19.991  -17.37799      35.74051 
1 1 1 7   3  5  o 210.413  14.972  391.419    54.646  394.494    77.107  388.316    77.458  209.905 21.335  208.168 21.626  1.737228       30.37843 
1 1 1 7   3  6  o 318.483  12.854  890.623    71.480  768.884    87.366  1137.13    124.320 294.802 17.045  357.891 19.974  -63.08932      26.25831 
1 1 1 7   3  7  o 319.521  13.407  896.955    74.801  833.736    91.454  1024.72    130.010 306.983 17.130  339.018 22.084  -32.03534      27.94860 
1 1 1 7   3  8  o 230.063  14.947  467.669    59.717  467.669    59.717  0.0000     0.0000  230.063 14.947  ?       ?       0.000000       14.94678 
1 1 1 7   3  9  o 446.880  20.894  1770.63    163.030 1770.63    163.030 0.0000     0.0000  446.880 20.894  ?       ?       0.000000       20.89364 
1 1 1 7   3  10 o 151.457  11.055  202.202    29.034  205.122    35.664  196.462    49.998  152.190 13.563  147.698 19.893  4.492065       24.07687 
1 1 1 7   3  11 f 87.640   10.147  68.195     15.240  84.867     18.934  37.518     25.683  97.728  11.304  65.270  20.342  32.45798       23.27198 
1 1 1 7   3  12 f 146.982  11.066  190.484    28.191  196.899    34.643  177.908    48.503  149.106 13.451  140.327 20.392  8.779648       24.42900 
1 1 1 7   3  13 o 52.766   11.668  25.379     10.465  22.874     12.921  30.152     17.838  50.326  14.127  57.871  16.716  -7.545673      21.88613 
1 1 1 7   3  14 o 116.419  10.940  119.851    21.977  133.219    27.013  93.681     37.796  122.525 12.816  100.842 22.078  21.68301       25.52824 
1 1 1 7   3  15 o 713.681  20.622  4510.96    256.977 4206.46    363.380 4815.60    363.460 683.454 30.450  732.717 28.409  -49.26318      41.64476 
1 1 1 7   3  16 o 186.168  9.7457  304.366    31.569  287.440    44.651  321.284    44.641  180.281 14.302  190.788 13.487  -10.50778      19.65854 
1 1 1 7   3  17 o 317.060  13.470  882.820    74.574  848.567    128.947 900.034    91.411  307.956 24.175  319.263 16.454  -11.30725      29.24298 
1 1 1 7   3  18 o 278.090  12.815  678.628    62.223  694.360    107.387 670.676    76.345  279.022 22.226  275.622 15.932  3.399780       27.34634 
1 1 1 7   3  19 o 245.102  12.366  528.202    52.753  527.436    90.964  528.590    64.755  243.168 21.650  244.749 15.228  -1.580276      26.46964 
1 1 1 7   3  20 f 257.210  15.781  583.855    70.532  0.0000     0.0000  583.855    70.532  ?       ?       257.210 15.781  0.000000       15.78124 
1 1 1 7   3  21 o 226.426  10.527  448.982    41.620  449.741    58.671  448.213    59.051  225.775 14.968  225.369 15.093  0.4059296      21.25643 
1 1 1 7   3  22 o 395.796  15.705  1376.92    108.539 1415.77    187.991 1357.50    132.934 397.791 27.230  392.299 19.407  5.491882       33.43763 
1 1 1 7   3  23 o 236.118  15.181  491.762    62.256  0.0000     0.0000  491.762    62.256  ?       ?       236.118 15.181  0.000000       15.18079 
1 1 1 7   3  24 o 246.087  11.787  530.675    50.646  481.398    86.751  556.154    62.381  232.398 21.627  251.309 14.275  -18.91087      25.91329 
1 1 1 7   3  25 f 216.539  10.289  410.524    38.902  396.486    54.781  424.806    55.253  211.961 14.896  219.495 14.498  -7.533813      20.78720 
1 1 1 7   3  26 o 244.001  10.320  521.273    43.969  552.827    62.070  489.489    62.295  250.555 14.247  235.567 15.227  14.98767       20.85225 
1 1 1 7   3  27 o 339.156  14.214  1009.74    84.175  900.800    144.732 1065.42    103.474 317.202 26.371  347.969 17.031  -30.76682      31.39186 
1 1 1 7   3  28 o 108.524  12.342  104.571    22.971  60.903     36.962  132.050    29.320  82.158  24.158  121.861 14.036  -39.70375      27.94009 
1 1 1 7   3  29 o 200.798  14.126  355.706    49.210  248.360    67.158  480.176    72.316  165.716 23.901  232.798 17.929  -67.08138      29.87768 
1 1 1 7   3  30 o 417.702  19.567  1540.12    142.708 1378.71    201.210 1703.50    202.434 391.401 29.662  436.483 26.690  -45.08102      39.90232 
1 1 1 7   3  31 o 241.436  15.543  514.644    65.175  430.191    91.570  601.354    92.785  218.769 24.387  260.028 20.605  -41.25842      31.92612 
1 1 1 7   3  32 o 477.225  15.288  2002.60    127.394 1983.72    180.150 2021.49    180.174 473.226 21.802  477.774 21.598  -4.547760      30.68880 
1 1 1 7   3  33 o 228.024  10.829  455.628    43.117  456.896    60.936  454.358    61.018  227.394 15.439  226.748 15.505  0.6461182      21.88038 
1 1 1 7   3  34 o 150.897  10.704  200.531    28.021  192.297    39.822  208.607    39.436  146.991 15.761  153.308 14.921  -6.317017      21.70401 
1 1 1 7   3  35 o 384.860  13.341  1300.99    89.651  1263.56    126.793 1338.41    126.778 377.564 19.297  389.232 18.654  -11.66833      26.83943 
1 1 1 7   3  36 o 227.492  10.930  453.746    43.415  443.026    61.295  464.539    61.501  223.732 15.792  229.189 15.459  -5.457520      22.09871 
1 1 1 7   3  37 o 229.132  10.901  460.386    43.613  426.565    61.345  494.951    62.017  219.406 16.126  236.632 15.088  -17.22578      22.08399 
1 1 1 7   3  38 o 346.470  12.711  1054.63    76.895  1063.60    108.877 1045.71    108.617 346.378 18.065  343.414 18.179  2.964600       25.62810 
1 1 1 7   3  39 o 263.254  11.373  608.268    52.276  559.881    73.812  656.963    74.047  251.210 16.926  272.514 15.627  -21.30385      23.03700 
1 1 1 7   3  40 o 109.469  19.809  109.533    36.468  178.689    52.838  46.618     50.397  139.914 22.383  78.340  28.480  61.57357       36.22314 
1 1 1 7   3  41 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 7   3  42 o 298.335  26.396  809.469    136.082 0.0000     0.0000  809.469    136.082 ?       ?       298.335 26.396  0.000000       26.39601 
1 1 1 7   3  43 o 29.320   14.305  -43.8525   23.912  -11.5583   26.280  -199.2329  57.644  40.255  18.052  36.168  18.313  4.086281       25.71460 
1 1 1 7   3  44 o 463.579  16.967  1907.28    137.339 1629.07    166.963 2489.41    241.513 425.238 22.567  522.907 26.539  -97.66980      34.83660 
1 1 1 7   3  45 o 42.312   19.258  -18.4156   31.247  29.389     52.282  -44.9794   38.973  71.776  28.309  41.979  19.892  29.79664       34.59863 
1 1 1 7   3  46 o 231.679  13.979  476.534    56.282  498.132    94.680  464.731    69.992  233.421 23.552  227.628 17.750  5.792648       29.49211 
1 1 1 7   3  47 o 135.449  12.543  163.406    29.329  173.556    39.526  150.969    43.750  138.617 16.664  128.121 20.228  10.49577       26.20837 
1 1 1 7   3  48 o 201.608  11.321  359.757    39.690  357.226    54.437  362.630    57.991  199.634 15.745  200.829 16.689  -1.194809      22.94356 
1 1 1 7   3  49 o 295.881  11.970  774.636    61.842  728.191    86.046  824.260    88.942  284.277 17.419  302.785 16.891  -18.50766      24.26334 
1 1 1 7   3  50 o 72.769   16.953  49.461     21.141  52.759     27.827  44.959     32.514  74.853  20.629  70.544  22.992  4.309235       30.88940 
1 1 1 7   3  51 o 105.714  15.382  102.233    27.561  97.135     32.687  114.773    51.262  101.808 19.089  107.957 27.205  -6.149193      33.23430 
1 1 1 7   3  52 o 255.912  13.598  587.614    60.544  647.573    73.983  466.052    105.344 267.368 15.920  218.278 28.306  49.08981       32.47591 
1 1 1 7   3  53 o 103.149  18.902  100.546    32.790  127.560    44.586  68.724     48.391  114.620 23.076  84.320  28.077  30.29956       36.34312 
1 1 1 7   3  54 o 32.532   14.933  -12.6186   19.314  -39.1664   25.599  22.469     29.429  31.450  15.218  56.042  21.479  -24.59210      26.32398 
1 1 1 7   3  55 o 128.566  14.920  152.249    32.871  90.962     49.815  199.514    43.747  93.693  28.168  146.048 17.504  -52.35490      33.16318 
1 1 1 7   3  56 o 222.902  17.929  466.474    69.190  0.0000     0.0000  466.474    69.190  ?       ?       222.902 17.929  0.000000       17.92913 
1 1 1 7   3  57 o 61.471   18.667  36.423     21.797  62.397     26.943  -12.7846   37.085  79.451  19.554  46.505  21.095  32.94580       28.76363 
1 1 1 7   3  58 o 53.130   19.145  24.500     22.700  11.220     25.183  82.042     52.422  47.019  19.255  86.468  29.224  -39.44912      34.99730 
1 1 1 7   3  59 o 117.614  15.560  131.424    31.170  125.798    35.879  148.734    62.936  112.993 18.850  112.534 31.028  0.4582977      36.30478 
1 1 1 7   3  60 o 55.057   19.812  27.825     24.303  34.758     27.312  1.4589     53.262  59.945  21.062  57.103  25.647  2.841896       33.18660 
1 1 1 7   3  61 o 60.968   23.080  35.298     33.716  31.444     43.533  41.075     53.298  61.804  25.314  67.362  27.846  -5.558708      37.63231 
1 1 1 7   3  62 o 50.103   21.811  8.3711     35.709  0.0000     0.0000  8.3711     35.709  ?       ?       50.103  21.811  0.000000       21.81052 
1 1 1 7   3  63 o 85.292   24.810  85.196     39.170  0.0000     0.0000  85.196     39.170  ?       ?       85.292  24.810  0.000000       24.80963 
1 1 1 7   3  64 o 42.578   18.412  5.6616     25.112  2.3826     29.215  14.939     49.141  43.753  19.361  55.831  24.885  -12.07714      31.53018 
1 1 1 7   3  65 o 73.864   19.648  59.973     25.781  59.269     29.889  62.017     50.956  71.696  21.878  69.569  27.785  2.127090       35.36478 
1 1 1 7   3  66 o 31.608   14.678  -10.9299   19.454  -15.3022   21.942  5.1358     42.060  32.379  15.214  49.413  22.434  -17.03370      27.10607 
1 1 1 7   3  67 o 50.832   19.847  25.769     25.475  13.840     30.442  53.643     46.536  47.039  20.306  64.124  26.208  -17.08511      33.15438 
1 1 1 7   3  68 o 46.552   19.152  18.692     25.057  23.729     37.801  14.744     33.467  51.932  22.523  47.758  20.943  4.173630       30.75544 
1 1 1 7   3  69 o 55.507   20.976  37.025     27.819  28.416     41.037  44.346     37.841  52.964  23.209  58.358  23.717  -5.394440      33.18419 
1 1 1 7   4  0  o 145.316  11.305  186.249    28.460  182.073    34.879  194.569    49.229  143.254 14.128  147.088 19.660  -3.833450      24.20993 
1 1 1 7   4  1  o 317.218  13.953  884.269    77.286  857.886    94.675  936.971    133.809 311.398 17.483  323.693 23.843  -12.29510      29.56571 
1 1 1 7   4  2  o 384.183  15.478  1299.00    103.828 1176.38    127.167 1544.18    179.822 364.073 20.082  415.537 24.899  -51.46344      31.98797 
1 1 1 7   4  3  o 705.565  29.817  4477.13    367.336 4477.13    367.336 0.0000     0.0000  705.565 29.817  ?       ?       0.000000       29.81703 
1 1 1 7   4  4  o 223.207  12.122  438.395    47.066  437.788    57.682  439.604    81.412  222.604 14.927  221.728 21.290  0.8761444      26.00159 
1 1 1 7   4  5  f 338.518  17.592  1013.56    103.625 1013.56    103.625 0.0000     0.0000  338.518 17.592  ?       ?       0.000000       17.59212 
1 1 1 7   4  6  o 713.740  29.636  4579.53    369.331 4579.53    369.331 0.0000     0.0000  713.740 29.636  ?       ?       0.000000       29.63556 
1 1 1 7   4  7  o 303.635  16.157  814.195    85.350  814.195    85.350  0.0000     0.0000  303.635 16.157  ?       ?       0.000000       16.15675 
1 1 1 7   4  8  o 369.275  18.399  1204.05    118.631 1262.09    167.920 1146.21    167.618 375.219 25.787  357.013 27.091  18.20572       37.40170 
1 1 1 7   4  9  o 392.720  15.605  1357.46    107.004 1398.97    185.359 1336.71    131.044 394.630 27.064  388.876 19.299  5.754089       33.24056 
1 1 1 7   4  10 o 214.496  11.765  404.705    43.896  416.474    76.017  398.818    53.765  216.013 20.396  212.498 14.579  3.515137       25.07045 
1 1 1 7   4  11 o 148.605  11.135  194.654    28.683  200.882    49.587  191.522    35.162  149.559 19.449  147.011 13.862  2.547806       23.88323 
1 1 1 7   4  12 o 218.785  12.065  421.112    45.914  403.141    56.043  457.796    80.070  213.579 15.126  226.584 20.459  -13.00542      25.44341 
1 1 1 7   4  13 o 384.440  14.785  1299.19    99.248  1148.00    121.383 1604.16    172.391 359.991 19.382  424.408 23.353  -64.41718      30.34854 
1 1 1 7   4  14 o 370.423  18.812  1213.94    121.273 1267.60    171.436 1160.19    171.577 376.225 26.262  359.399 27.551  16.82620       38.06235 
1 1 1 7   4  15 o 366.135  14.995  1178.13    95.862  1195.13    166.055 1169.63    117.400 365.420 26.199  363.719 18.547  1.701721       32.09993 
1 1 1 7   4  16 o 522.956  23.337  2424.93    213.093 0.0000     0.0000  2424.93    213.093 ?       ?       522.956 23.337  0.000000       23.33685 
1 1 1 7   4  17 o 410.282  15.935  1480.06    114.158 1494.56    197.687 1472.81    139.829 408.434 27.887  408.535 19.602  -0.1009521     34.08683 
1 1 1 7   4  18 o 139.609  10.474  171.625    25.345  205.476    43.888  154.686    31.046  151.916 16.828  132.077 13.659  19.83893       21.67406 
1 1 1 7   4  19 o 651.933  22.165  3760.20    252.312 3816.44    436.936 3732.06    309.046 646.978 38.858  647.262 27.345  -0.2845459     47.51545 
1 1 1 7   4  20 f 262.166  10.650  601.884    48.753  638.091    68.799  565.362    69.098  269.171 14.694  253.156 15.709  16.01527       21.51040 
1 1 1 7   4  21 o 92.748   9.8816  76.144     15.756  72.666     21.828  79.928     22.767  89.879  14.395  94.385  14.259  -4.506149      20.26158 
1 1 1 7   4  22 o 49.137   12.628  21.971     10.893  29.625     15.980  15.328     14.888  57.153  15.584  44.424  15.553  12.72925       22.01715 
1 1 1 7   4  23 o 95.014   12.737  80.555     20.599  72.696     24.843  97.850     36.851  89.534  16.499  103.416 21.122  -13.88211      26.80180 
1 1 1 7   4  24 o 735.845  24.091  4801.66    309.530 5075.34    536.168 4664.85    379.080 744.337 41.418  722.175 30.063  22.16248       51.17830 
1 1 1 7   4  25 o 391.355  14.407  1344.78    98.450  1383.52    170.584 1325.44    120.553 393.978 24.926  387.951 17.797  6.027863       30.62696 
1 1 1 7   4  26 o 266.001  12.892  620.609    59.877  564.949    102.374 649.550    73.820  251.372 23.601  271.393 15.644  -20.02086      28.31498 
1 1 1 7   4  27 o 109.298  12.959  106.246    24.250  101.777    39.704  108.906    30.626  105.290 22.291  110.082 16.437  -4.791550      27.69602 
1 1 1 7   4  28 o 348.238  17.706  1071.19    107.305 883.068    151.341 1261.37    152.167 313.293 27.960  376.431 23.265  -63.13748      36.37315 
1 1 1 7   4  29 o 339.072  18.048  1016.43    106.465 1004.36    150.404 1028.54    150.726 334.839 25.928  338.958 25.657  -4.118988      36.47641 
1 1 1 7   4  30 o 224.509  12.566  443.583    49.062  429.644    59.964  471.811    85.331  220.449 15.681  229.852 21.512  -9.402695      26.62020 
1 1 1 7   4  31 o 18.827   9.2144  -19.7968   10.150  -29.5310   11.726  9.2937     20.270  18.567  9.2353  44.356  17.585  -25.78849      19.86224 
1 1 1 7   4  32 o 512.911  15.638  2315.50    140.051 2074.24    197.448 2559.79    198.683 483.037 23.410  537.482 21.171  -54.44513      31.56336 
1 1 1 7   4  33 o 361.022  12.399  1143.94    78.160  954.733    109.430 1340.99    111.675 328.069 19.187  390.109 16.395  -62.03976      25.23740 
1 1 1 7   4  34 o 363.353  12.784  1159.42    81.106  1046.23    113.796 1276.28    115.629 343.429 19.052  380.274 17.414  -36.84537      25.81138 
1 1 1 7   4  35 o 443.792  14.424  1732.91    111.767 1618.37    157.365 1849.49    158.768 426.988 21.107  456.878 19.902  -29.88962      29.01053 
1 1 1 7   4  36 o 95.091   12.839  80.867     20.772  38.808     26.850  143.568    32.783  66.393  20.817  126.796 15.105  -60.40293      25.71957 
1 1 1 7   4  37 o 168.830  11.127  251.191    32.617  232.496    44.083  273.807    48.485  161.604 15.826  175.462 16.002  -13.85841      22.50562 
1 1 1 7   4  38 o 235.268  13.177  488.395    53.912  396.784    89.101  541.305    67.714  209.018 24.904  247.176 15.772  -38.15817      29.47818 
1 1 1 7   4  39 o 301.452  18.020  808.037    94.417  0.0000     0.0000  808.037    94.417  ?       ?       301.452 18.020  0.000000       18.02036 
1 1 1 7   4  40 o 178.458  18.591  285.670    57.079  273.263    79.255  299.040    82.273  171.897 27.320  180.095 26.995  -8.198074      38.40723 
1 1 1 7   4  41 o 32.030   15.758  -64.1430   30.918  -59.6582   38.312  -72.5175   52.354  38.751  18.719  46.529  22.323  -7.777901      29.13313 
1 1 1 7   4  42 o 246.920  16.426  542.709    70.416  542.709    70.416  0.0000     0.0000  246.920 16.426  ?       ?       0.000000       16.42621 
1 1 1 7   4  43 o ?        ?       -176.6302  31.330  -173.7853  38.225  -182.4529  54.686  ?       ?       35.688  18.043  0.000000       18.04276 
1 1 1 7   4  44 o 68.983   19.064  43.865     23.727  21.136     32.494  69.827     34.728  58.417  22.524  86.391  22.719  -27.97402      31.99204 
1 1 1 7   4  45 o 134.851  12.659  161.987    29.459  164.759    40.295  158.804    43.175  134.811 17.534  131.795 19.337  3.016098       26.10244 
1 1 1 7   4  46 o 271.783  11.793  652.133    55.966  646.936    78.379  657.538    79.941  268.681 16.791  270.797 16.993  -2.116425      23.88948 
1 1 1 7   4  47 o 64.438   19.799  37.715     24.429  79.706     40.614  13.910     30.579  91.476  24.803  53.570  21.478  37.90603       32.81047 
1 1 1 7   4  48 o 250.834  13.336  560.693    58.196  624.527    99.908  527.909    71.597  260.228 22.200  241.806 17.067  18.42213       28.00249 
1 1 1 7   4  49 o 295.602  14.292  780.674    73.770  869.821    90.002  598.189    128.770 310.349 16.670  247.744 30.406  62.60527       34.67609 
1 1 1 7   4  50 o 43.071   18.234  2.5899     23.694  15.834     34.807  -8.8463    32.344  56.424  22.812  45.556  20.255  10.86793       30.50665 
1 1 1 7   4  51 o 82.242   17.029  63.566     23.650  66.990     28.777  56.442     41.510  83.653  19.977  77.677  26.006  5.975914       32.79310 
1 1 1 7   4  52 o 134.192  11.999  162.076    27.819  170.970    37.079  150.623    42.076  136.371 15.869  126.189 19.744  10.18212       25.33025 
1 1 1 7   4  53 o 200.828  16.380  371.405    56.938  320.345    77.382  431.684    84.078  180.195 25.291  211.370 23.160  -31.17451      34.29319 
1 1 1 7   4  54 o 49.768   19.687  15.219     25.357  15.515     30.950  14.615     44.225  53.113  21.498  59.579  25.050  -6.465664      33.00993 
1 1 1 7   4  55 o 92.289   20.730  84.298     32.589  66.410     41.643  112.566    52.349  80.647  25.999  102.554 28.307  -21.90636      38.43456 
1 1 1 7   4  56 o 62.518   21.417  36.884     28.159  53.349     35.035  6.8398     47.327  72.867  23.872  57.609  25.093  15.25763       34.63437 
1 1 1 7   4  57 o 51.122   18.672  22.136     21.697  1.4892     32.493  38.749     29.147  47.534  20.746  63.381  21.786  -15.84731      30.08349 
1 1 1 7   4  58 o 125.142  14.931  148.055    31.981  144.972    51.442  149.998    40.831  115.288 26.155  122.670 19.732  -7.382057      32.76347 
1 1 1 7   4  59 o 86.183   18.040  74.346     26.276  58.935     40.907  85.171     34.285  73.733  25.783  89.766  22.037  -16.03265      33.91723 
1 1 1 7   4  60 o 64.211   20.877  42.804     26.814  46.702     41.966  40.115     34.858  67.270  25.681  63.302  23.570  3.968216       34.85735 
1 1 1 7   4  61 o 125.391  15.956  154.102    34.144  158.859    56.754  151.404    42.744  114.264 28.533  119.533 21.259  -5.269394      35.58162 
1 1 1 7   4  62 o 41.766   17.915  5.7422     23.406  -20.9342   37.906  22.181     29.756  42.613  20.015  52.278  21.107  -9.664673      29.08790 
1 1 1 7   4  63 o 57.858   18.051  35.115     20.217  40.464     27.015  28.305     30.480  61.009  20.974  54.792  21.613  6.216492       30.11710 
1 1 1 7   4  64 o 43.288   16.936  15.215     18.580  -10.0568   24.777  47.683     28.085  36.334  16.764  64.701  21.382  -28.36723      27.17001 
1 1 1 7   4  65 o 77.603   18.704  65.987     25.047  54.467     28.880  100.954    50.316  67.971  21.624  83.524  28.629  -15.55232      35.87755 
1 1 1 7   4  66 o 37.309   16.152  4.4173     19.371  -4.7680    21.747  39.709     42.627  35.286  16.063  58.804  24.652  -23.51853      29.42315 
1 1 1 7   4  67 o 51.825   18.908  29.492     22.240  34.801     25.340  11.691     46.404  55.025  20.166  50.429  23.147  4.596096       30.69928 
1 1 1 7   4  68 o 41.524   18.012  9.7641     24.182  -21.5128   41.273  26.113     29.840  41.055  19.730  50.153  20.792  -9.098476      28.66300 
1 1 1 7   5  0  o 105.827  10.884  99.144     19.825  114.882    33.765  90.865     24.490  112.867 17.717  100.724 14.329  12.14291       22.78605 
1 1 1 7   5  1  o 112.411  8.7095  111.228    16.961  82.486     23.604  141.913    24.389  95.833  14.565  126.780 11.130  -30.94736      18.33075 
1 1 1 7   5  2  o 291.964  11.210  746.981    57.150  674.274    80.732  820.014    80.912  276.251 16.817  305.431 15.172  -29.18073      22.64952 
1 1 1 7   5  3  o 175.120  9.3437  269.188    28.467  202.719    40.022  337.256    40.500  151.086 15.385  195.778 11.904  -44.69153      19.45308 
1 1 1 7   5  4  o 344.554  13.887  1042.35    83.546  923.764    102.197 1281.30    145.066 323.213 18.182  379.791 21.969  -56.57755      28.51759 
1 1 1 7   5  5  o 270.370  12.249  641.007    57.824  569.559    70.601  786.594    100.781 253.971 16.003  297.889 19.483  -43.91771      25.21262 
1 1 1 7   5  6  o 317.263  12.919  883.025    71.564  784.393    87.471  1082.71    124.459 298.048 16.877  349.457 20.487  -51.40906      26.54331 
1 1 1 7   5  7  o 355.227  12.400  1106.51    76.909  1029.71    108.662 1183.60    108.871 341.322 18.299  366.685 17.004  -25.36313      24.98015 
1 1 1 7   5  8  o 339.497  11.987  1010.34    71.060  821.702    100.365 1199.96    100.623 304.671 18.960  369.467 15.598  -64.79562      24.55170 
1 1 1 7   5  9  o 288.237  12.432  728.457    62.568  614.125    108.011 786.200    76.759  262.116 23.861  299.188 14.693  -37.07199      28.02235 
1 1 1 7   5  10 o 516.985  17.723  2353.53    159.984 2089.01    276.900 2486.08    196.012 480.905 33.179  530.378 21.166  -49.47314      39.35534 
1 1 1 7   5  11 f 645.703  18.741  3674.85    211.292 3581.99    298.772 3767.77    298.853 634.272 26.978  650.827 26.298  -16.55518      37.67483 
1 1 1 7   5  12 o 415.885  13.408  1517.34    97.367  1474.89    137.672 1559.82    137.723 408.973 19.279  420.697 18.749  -11.72403      26.89252 
1 1 1 7   5  13 o 564.136  16.440  2798.64    161.938 2881.18    228.999 2716.07    229.029 570.430 22.992  553.604 23.693  16.82568       33.01504 
1 1 1 7   5  14 o 222.679  10.930  434.288    42.496  464.603    73.351  418.973    52.138  228.913 18.510  218.088 13.762  10.82567       23.06560 
1 1 1 7   5  15 f 478.644  16.855  2015.28    140.865 2223.94    244.007 1910.98    172.516 498.734 28.135  465.066 21.245  33.66815       35.25510 
1 1 1 7   5  16 o 224.460  11.504  442.547    44.934  433.843    77.417  446.969    55.180  220.812 20.307  225.239 14.102  -4.426529      24.72304 
1 1 1 7   5  17 o 219.722  14.781  425.821    56.377  370.759    79.029  482.881    80.449  203.490 22.625  233.120 19.957  -29.62935      30.16910 
1 1 1 7   5  18 o 177.715  11.747  277.942    36.245  255.020    44.171  325.184    63.412  169.742 15.060  191.111 19.266  -21.36879      24.45356 
1 1 1 7   5  19 o 697.598  23.607  4312.30    287.551 4357.31    352.159 4222.26    498.102 698.677 28.867  678.188 42.274  20.48883       51.18956 
1 1 1 7   5  20 o 330.169  17.592  962.343    101.049 901.040    142.774 1023.87    143.038 317.365 25.993  338.919 24.333  -21.55347      35.60487 
1 1 1 7   5  21 o 558.732  19.269  2753.30    187.982 2773.94    325.634 2742.98    230.216 554.094 33.820  556.244 23.703  -2.149170      41.29894 
1 1 1 7   5  22 o 366.692  14.569  1180.88    93.281  1199.67    161.710 1171.51    114.194 366.565 25.422  364.680 17.934  1.884735       31.11127 
1 1 1 7   5  23 o 488.553  17.570  2102.14    149.878 2220.09    259.690 2043.23    183.530 497.074 30.062  480.507 21.875  16.56757       37.17845 
1 1 1 7   5  24 o 637.481  20.844  3592.83    232.008 2901.49    401.240 3940.08    284.367 561.462 41.216  666.010 24.453  -104.5482      47.92413 
1 1 1 7   5  25 o 435.583  16.141  1669.34    122.759 1344.78    211.865 1833.38    150.619 385.514 31.757  455.823 18.924  -70.30878      36.96796 
1 1 1 7   5  26 o 138.674  14.583  170.814    34.781  142.107    47.025  205.487    51.681  124.808 22.402  151.211 20.070  -26.40279      30.07729 
1 1 1 7   5  27 o 292.538  13.353  751.344    68.207  703.355    83.181  849.834    119.165 282.061 16.968  308.828 22.248  -26.76666      27.98031 
1 1 1 7   5  28 o 136.706  11.981  165.158    28.310  160.501    33.727  176.264    52.087  134.346 14.614  139.348 22.149  -5.001862      26.53512 
1 1 1 7   5  29 o 276.229  13.067  669.970    63.023  610.132    76.886  792.508    110.026 262.583 16.859  298.312 21.263  -35.72861      27.13493 
1 1 1 7   5  30 o 367.316  13.019  1184.85    83.498  1124.85    117.539 1245.98    118.637 356.240 18.965  375.649 18.087  -19.40872      26.20706 
1 1 1 7   5  31 o 223.331  10.596  437.207    41.320  382.716    57.426  495.708    59.501  207.827 15.947  236.962 14.450  -29.13528      21.51959 
1 1 1 7   5  32 o 263.637  11.241  609.682    51.745  572.236    72.392  648.799    73.991  254.225 16.396  270.912 15.709  -16.68697      22.70683 
1 1 1 7   5  33 o 585.839  17.780  3033.47    181.879 2916.83    256.937 3150.62    257.496 570.623 25.788  593.593 24.844  -22.96997      35.80820 
1 1 1 7   5  34 o 363.745  12.450  1162.47    79.076  994.159    111.104 1335.26    112.572 334.434 19.106  388.893 16.578  -54.45926      25.29549 
1 1 1 7   5  35 o 287.046  11.677  723.573    58.524  679.686    81.763  769.678    83.804  276.799 17.000  294.787 16.345  -17.98807      23.58304 
1 1 1 7   5  36 o 305.651  12.181  821.120    65.008  814.137    90.877  828.438    93.030  302.856 17.257  305.438 17.517  -2.581390      24.58929 
1 1 1 7   5  37 o 45.838   18.174  10.160     21.653  30.220     32.174  -6.4467    29.274  63.152  22.787  44.699  19.595  18.45232       30.05325 
1 1 1 7   5  38 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 7   5  39 o ?        ?       -414.0675  12.935  -446.7032  15.054  -321.9991  25.285  ?       ?       ?       ?       0.000000       ?        
1 1 1 7   5  40 f 573.036  21.004  2941.06    210.157 3078.64    256.856 2662.44    365.522 583.034 25.231  526.903 40.029  56.13190       47.31760 
1 1 1 7   5  41 o ?        ?       -413.3905  13.596  -445.8532  15.874  -324.0347  26.337  ?       ?       ?       ?       0.000000       ?        
1 1 1 7   5  42 o 41.724   17.253  4.6329     20.470  19.562     22.658  -61.6778   47.752  51.912  19.062  45.076  21.544  6.835533       28.76652 
1 1 1 7   5  43 o 93.527   15.175  79.572     23.933  60.296     29.569  116.188    40.753  80.317  20.888  111.662 21.684  -31.34457      30.10795 
1 1 1 7   5  44 o 174.730  11.510  270.590    34.920  256.528    47.345  287.368    51.712  168.851 16.259  178.628 16.776  -9.777313      23.36279 
1 1 1 7   5  45 o 199.623  11.266  353.036    39.109  298.278    52.694  420.194    58.356  181.785 16.791  216.474 15.542  -34.68929      22.88005 
1 1 1 7   5  46 o 159.255  11.730  225.719    32.389  196.513    42.146  267.849    50.619  147.069 16.709  171.818 17.100  -24.74905      23.90787 
1 1 1 7   5  47 o 204.423  13.071  373.444    46.411  346.839    55.921  432.327    83.194  195.628 16.526  215.394 22.450  -19.76637      27.87688 
1 1 1 7   5  48 o 30.543   14.167  -14.7966   18.044  -14.7966   18.044  0.0000     0.0000  30.543  14.167  ?       ?       0.000000       14.16666 
1 1 1 7   5  49 o 232.390  15.926  490.814    64.232  490.814    64.232  0.0000     0.0000  232.390 15.926  ?       ?       0.000000       15.92581 
1 1 1 7   5  50 o 143.609  16.615  190.255    40.894  190.255    40.894  0.0000     0.0000  143.609 16.615  ?       ?       0.000000       16.61529 
1 1 1 7   5  51 o 43.258   16.677  12.140     17.811  21.490     22.497  -3.5645    29.157  52.003  19.010  44.468  19.523  7.535069       27.24905 
1 1 1 7   5  52 o 132.600  18.454  166.488    41.568  0.0000     0.0000  166.488    41.568  ?       ?       132.600 18.454  0.000000       18.45420 
1 1 1 7   5  53 o 134.088  13.745  165.157    31.726  119.434    50.333  195.300    40.867  106.559 27.015  144.413 16.503  -37.85343      31.65704 
1 1 1 7   5  54 o 211.069  13.073  407.085    47.942  338.549    79.717  445.919    60.007  181.205 25.935  218.720 15.819  -37.51495      30.37862 
1 1 1 7   5  55 o 61.730   19.333  37.206     23.167  48.877     32.763  25.535     32.764  69.739  23.097  57.515  22.493  12.22345       32.23998 
1 1 1 7   5  56 o 81.895   15.847  64.855     21.841  59.231     28.126  73.398     34.667  76.034  20.651  83.424  23.039  -7.390320      30.93964 
1 1 1 7   5  57 f 47.065   17.283  18.717     18.625  21.656     23.201  13.390     31.235  50.885  19.173  50.635  21.155  0.2499809      28.55088 
1 1 1 7   5  58 o 105.230  16.758  108.907    29.759  122.431    49.465  101.235    37.255  102.664 27.170  97.218  22.407  5.445930       35.21785 
1 1 1 7   5  59 o 38.692   17.094  -1.2270    22.681  48.513     40.840  -23.4118   27.274  67.266  25.416  35.329  16.711  31.93650       30.41785 
1 1 1 7   5  60 o 47.631   19.229  16.500     24.695  56.732     37.449  -14.4560   32.849  70.298  24.664  41.244  19.124  29.05447       31.20999 
1 1 1 7   5  61 o 25.793   12.272  -16.2446   15.130  -25.4092   18.695  1.1518     25.757  26.975  13.041  41.194  18.207  -14.21907      22.39569 
1 1 1 7   5  62 o 54.860   17.757  31.462     19.411  50.762     25.011  2.2306     30.780  67.721  19.861  44.127  19.680  23.59439       27.96000 
1 1 1 7   5  63 o 66.857   18.082  48.511     21.617  57.300     27.393  34.002     35.196  70.596  20.809  57.066  22.986  13.53006       31.00544 
1 1 1 7   5  64 o 77.436   19.045  66.944     25.572  63.544     28.773  79.726     55.789  73.237  21.252  72.107  28.976  1.129456       35.93402 
1 1 1 7   5  65 o 37.803   16.476  4.4532     20.431  -5.8884    22.582  51.094     47.958  35.300  16.182  61.923  26.063  -26.62357      30.67841 
1 1 1 7   5  66 o 63.314   19.885  48.235     24.489  59.609     27.515  4.8970     53.709  69.406  20.949  50.114  23.627  19.29118       31.57702 
1 1 1 7   5  67 o 50.571   19.133  29.248     23.162  44.071     26.123  -25.2487   50.088  59.057  20.606  43.211  20.998  15.84617       29.41990 
1 1 1 7   6  0  o 405.028  15.662  1440.87    110.765 1310.66    191.551 1506.29    135.764 382.516 28.893  413.571 18.801  -31.05505      34.47104 
1 1 1 7   6  1  o 307.853  12.706  830.733    68.298  731.711    117.988 880.631    83.757  286.547 23.797  316.698 15.146  -30.15118      28.20865 
1 1 1 7   6  2  o 380.289  18.465  1273.36    122.607 1188.82    173.077 1358.52    173.710 364.635 27.384  390.479 25.620  -25.84409      37.50043 
1 1 1 7   6  3  o 260.558  12.488  595.037    56.812  566.019    69.407  653.956    98.898  253.350 15.768  271.392 21.035  -18.04152      26.28861 
1 1 1 7   6  4  o 431.582  15.950  1636.61    120.196 1448.18    147.078 2015.53    208.561 404.531 20.894  476.046 25.181  -71.51523      32.72031 
1 1 1 7   6  5  o 282.653  16.007  704.233    78.677  645.449    110.870 763.864    111.667 268.957 23.856  293.212 21.971  -24.25525      32.43209 
1 1 1 7   6  6  o 294.221  13.373  759.205    68.701  698.254    118.638 789.956    84.268  279.642 24.546  299.378 16.181  -19.73627      29.39898 
1 1 1 7   6  7  o 161.903  9.6939  230.212    27.278  104.650    46.393  296.557    33.724  106.525 25.316  183.743 10.556  -77.21848      27.42823 
1 1 1 7   6  8  o 643.570  19.168  3650.12    215.395 3766.42    304.605 3533.80    304.625 650.840 26.804  630.037 27.691  20.80310       38.53886 
1 1 1 7   6  9  o 89.801   8.9954  71.254     13.915  72.292     19.399  70.153     19.971  89.932  12.708  88.462  13.344  1.469833       18.42712 
1 1 1 7   6  10 o 203.933  9.7327  363.981    34.657  319.263    48.819  409.414    49.207  190.121 14.823  215.675 13.129  -25.55461      19.80152 
1 1 1 7   6  11 o 350.266  11.953  1075.10    73.104  1114.54    103.584 1035.96    103.187 356.008 16.664  342.708 17.300  13.29956       24.02011 
1 1 1 7   6  12 o 602.673  17.839  3197.62    187.720 3340.77    265.570 3054.68    265.382 613.643 24.786  586.341 25.921  27.30109       35.86430 
1 1 1 7   6  13 o 367.061  18.045  1186.44    115.650 0.0000     0.0000  1186.44    115.650 ?       ?       367.061 18.045  0.000000       18.04454 
1 1 1 7   6  14 o 627.512  26.289  3501.59    288.047 0.0000     0.0000  3501.59    288.047 ?       ?       627.512 26.289  0.000000       26.28925 
1 1 1 7   6  15 o 561.946  23.193  2797.25    227.572 0.0000     0.0000  2797.25    227.572 ?       ?       561.946 23.193  0.000000       23.19324 
1 1 1 7   6  16 o 381.474  17.582  1281.30    117.113 0.0000     0.0000  1281.30    117.113 ?       ?       381.474 17.582  0.000000       17.58233 
1 1 1 7   6  17 o 240.527  11.950  507.101    50.189  563.372    87.708  479.704    61.199  251.827 20.115  233.182 15.112  18.64558       25.15919 
1 1 1 7   6  18 o 344.409  13.835  1041.24    83.200  1129.02    144.500 997.707    101.760 356.114 23.369  336.164 17.396  19.94968       29.13275 
1 1 1 7   6  19 o 465.655  20.245  1915.67    164.609 0.0000     0.0000  1915.67    164.609 ?       ?       465.655 20.245  0.000000       20.24538 
1 1 1 7   6  20 o 262.480  14.033  606.708    64.080  0.0000     0.0000  606.708    64.080  ?       ?       262.480 14.033  0.000000       14.03274 
1 1 1 7   6  21 o 601.521  24.359  3216.14    255.845 0.0000     0.0000  3216.14    255.845 ?       ?       601.521 24.359  0.000000       24.35926 
1 1 1 7   6  22 o 720.810  23.848  4616.79    300.149 4549.25    519.795 4650.57    367.634 701.081 42.665  720.284 29.231  -19.20300      51.71824 
1 1 1 7   6  23 o 675.222  22.452  4044.74    264.705 4197.74    324.261 3739.12    458.297 685.390 27.095  635.979 41.498  49.41132       49.56057 
1 1 1 7   6  24 o 318.278  14.018  890.115    77.902  903.781    95.511  862.958    134.644 319.752 17.170  310.255 25.069  9.496338       30.38502 
1 1 1 7   6  25 o 449.371  16.905  1780.04    132.645 1866.32    162.610 1608.45    229.311 459.166 20.282  421.191 31.406  37.97495       37.38615 
1 1 1 7   6  26 o 288.408  13.369  730.726    67.326  785.616    82.768  623.379    115.746 298.238 15.952  263.084 25.518  35.15338       30.09361 
1 1 1 7   6  27 o 39.837   15.214  9.5850     14.732  -1.1568    20.315  21.499     21.394  38.909  16.690  52.744  18.630  -13.83502      25.01273 
1 1 1 7   6  28 o 418.103  13.965  1537.32    101.947 1488.78    144.122 1585.94    144.228 409.845 20.139  423.199 19.518  -13.35440      28.04575 
1 1 1 7   6  29 o 383.832  13.254  1295.02    88.831  1151.63    125.299 1439.92    125.956 359.865 20.020  403.615 17.873  -43.74976      26.83719 
1 1 1 7   6  30 o 537.228  16.606  2547.91    155.774 2466.53    219.959 2629.79    220.638 525.436 23.975  542.903 23.275  -17.46649      33.41469 
1 1 1 7   6  31 o 365.903  13.111  1177.39    83.765  1104.01    117.641 1252.84    119.299 352.367 19.193  376.198 18.162  -23.83087      26.42373 
1 1 1 7   6  32 o 584.104  17.239  3017.96    175.816 2943.79    248.333 3092.49    248.950 572.886 24.826  587.525 24.267  -14.63873      34.71640 
1 1 1 7   6  33 o 221.911  13.776  435.359    53.114  346.792    90.356  482.121    65.655  194.222 27.405  233.019 16.238  -38.79755      31.85496 
1 1 1 7   6  34 o 173.997  14.470  268.826    43.562  289.689    73.021  257.300    54.278  178.152 24.093  169.248 18.678  8.904068       30.48466 
1 1 1 7   6  35 f 332.406  18.160  984.050    105.001 914.210    144.141 1063.01    153.266 316.952 26.283  342.142 25.846  -25.19028      36.86180 
1 1 1 7   6  36 o 30.874   15.083  -50.0217   26.834  14.504     29.974  -310.4891  60.223  53.886  21.377  ?       ?       0.000000       21.37685 
1 1 1 7   6  37 o 550.074  25.129  2740.72    241.359 2809.90    339.586 2670.08    343.106 545.991 35.819  530.582 37.272  15.40881       51.69316 
1 1 1 7   6  38 o ?        ?       -199.3077  11.412  -180.6580  11.768  -493.6930  46.756  ?       ?       ?       ?       0.000000       ?        
1 1 1 7   6  39 o 163.132  14.268  237.305    40.231  207.763    47.209  315.669    76.890  151.534 18.207  185.003 24.398  -33.46915      30.44260 
1 1 1 7   6  40 o 132.558  13.102  156.830    29.928  175.872    40.099  132.884    44.967  139.527 16.797  119.400 22.391  20.12753       27.99118 
1 1 1 7   6  41 o 433.441  14.349  1667.79    108.595 1588.66    152.931 1748.27    154.231 419.164 20.895  440.310 20.061  -21.14630      28.96640 
1 1 1 7   6  42 o 112.904  14.232  114.998    27.434  97.599     37.694  134.593    40.003  101.780 21.863  120.688 19.660  -18.90823      29.40219 
1 1 1 7   6  43 o 147.270  14.381  194.970    36.507  168.958    42.913  263.112    69.456  135.663 18.606  167.214 24.517  -31.55132      30.77785 
1 1 1 7   6  44 o 387.705  15.515  1347.44    105.032 1196.04    127.403 1668.64    185.570 361.476 20.267  421.815 25.313  -60.33908      32.42657 
1 1 1 7   6  45 o 188.583  13.179  318.611    43.124  279.512    51.458  410.848    79.036  175.062 17.051  209.850 21.893  -34.78766      27.74911 
1 1 1 7   6  46 o 56.141   20.910  23.674     27.439  17.151     33.337  37.373     48.315  56.031  22.440  71.124  27.454  -15.09352      35.45764 
1 1 1 7   6  47 o 48.961   19.080  14.965     23.511  9.2092     26.267  38.150     52.718  47.860  19.640  72.498  28.479  -24.63816      34.59508 
1 1 1 7   6  48 o 29.524   13.814  -16.4841   17.765  -8.4077    19.459  -56.9196   43.540  34.267  15.436  41.995  20.203  -7.728622      25.42465 
1 1 1 7   6  49 o 296.607  11.697  788.153    60.579  668.414    83.873  918.745    87.592  268.001 18.028  316.897 15.830  -48.89566      23.99202 
1 1 1 7   6  50 o 130.828  12.393  155.539    27.972  98.883     35.899  243.093    44.627  100.220 21.178  161.859 16.000  -61.63828      26.54242 
1 1 1 7   6  51 o 185.615  13.287  314.737    42.778  216.632    65.783  386.624    56.311  144.110 27.139  203.883 15.945  -59.77275      31.47619 
1 1 1 7   6  52 o ?        ?       -58.2025   15.659  -80.9558   18.377  2.1217     29.922  ?       ?       46.352  20.071  0.000000       20.07084 
1 1 1 7   6  53 o 29.348   13.776  -16.4083   17.912  -22.9936   21.056  0.8327     34.070  30.597  14.534  48.219  21.139  -17.62210      25.65302 
1 1 1 7   6  54 f 83.621   25.389  76.346     40.325  0.0000     0.0000  76.346     40.325  ?       ?       83.621  25.389  0.000000       25.38856 
1 1 1 7   6  55 o 51.433   19.365  22.429     23.659  16.493     29.195  33.784     40.380  50.851  20.768  62.300  24.781  -11.44963      32.33266 
1 1 1 7   6  56 o 129.097  17.605  165.175    38.649  177.256    62.543  157.711    49.159  120.948 29.807  119.981 24.298  0.9668884      38.45616 
1 1 1 7   6  57 f 83.656   21.856  76.378     32.277  54.856     49.515  92.281     42.562  70.219  27.596  88.555  25.891  -18.33614      37.83995 
1 1 1 7   6  58 o 118.796  18.417  144.896    36.964  153.535    58.773  139.242    47.545  108.616 29.999  109.136 25.423  -0.5208817     39.32239 
1 1 1 7   6  59 o 49.580   18.274  23.264     20.850  10.795     26.280  44.448     34.254  45.293  19.191  63.218  23.399  -17.92433      30.26210 
1 1 1 7   6  60 o 37.615   15.799  6.4307     17.563  -10.2774   22.270  33.917     28.563  34.369  15.869  56.756  21.296  -22.38737      26.55814 
1 1 1 7   6  61 o 42.456   16.647  14.749     17.982  26.552     22.694  -5.1651    29.478  51.235  19.029  40.622  18.573  10.61315       26.59059 
1 1 1 7   6  62 o 31.703   14.279  -3.4201    16.645  0.0885     19.929  -11.5136   30.269  35.865  15.925  38.938  18.157  -3.073586      24.15130 
1 1 1 7   6  63 o 31.088   14.027  -3.3353    16.144  6.9630     19.908  -23.1184   27.592  38.605  16.540  34.064  16.307  4.541180       23.22655 
1 1 1 7   6  64 o 58.636   19.279  40.591     22.841  28.171     25.496  91.096     51.414  50.807  19.850  73.542  28.339  -22.73530      34.59919 
1 1 1 7   6  65 o 28.347   13.416  -13.3872   17.628  -20.1980   19.067  26.665     46.239  27.709  13.340  52.149  23.614  -24.43914      27.12185 
1 1 1 7   7  0  o 275.150  15.710  667.186    75.163  571.010    105.768 765.307    106.832 252.769 24.263  293.732 20.968  -40.96315      32.06740 
1 1 1 7   7  1  o 213.087  14.481  400.333    53.561  327.748    75.095  475.491    76.415  191.166 22.957  231.545 19.070  -40.37941      29.84451 
1 1 1 7   7  2  o 330.141  15.135  957.135    87.245  676.172    122.707 1244.37    124.069 274.798 25.878  375.337 18.993  -100.5388      32.10034 
1 1 1 7   7  3  o 211.568  10.153  391.821    37.505  216.326    63.941  483.868    46.307  154.400 24.538  235.035 11.284  -80.63536      27.00849 
1 1 1 7   7  4  o 206.474  11.534  374.638    41.415  296.729    71.120  414.614    50.944  181.738 22.922  216.992 13.513  -35.25443      26.60849 
1 1 1 7   7  5  o 241.672  11.544  511.695    48.711  394.591    83.652  571.776    59.918  209.882 23.215  254.949 13.508  -45.06682      26.85911 
1 1 1 7   7  6  o 197.915  11.731  344.422    40.360  282.668    69.308  376.108    49.646  177.286 22.926  206.572 13.844  -29.28586      26.78221 
1 1 1 7   7  7  o 282.354  12.680  699.049    62.511  608.375    107.879 744.885    76.701  260.914 23.947  290.806 15.158  -29.89175      28.34114 
1 1 1 7   7  8  o 230.790  10.506  466.423    42.335  288.646    72.536  558.269    52.137  178.947 23.806  252.390 11.831  -73.44302      26.58321 
1 1 1 7   7  9  o 693.570  22.663  4259.67    274.453 4694.79    475.425 4042.19    336.114 718.106 38.052  672.825 28.610  45.28137       47.60819 
1 1 1 7   7  10 o 232.630  11.270  474.154    45.779  522.446    79.507  450.203    55.991  242.691 18.912  225.995 14.262  16.69595       23.68700 
1 1 1 7   7  11 o 585.068  24.307  3039.15    248.313 0.0000     0.0000  3039.15    248.313 ?       ?       585.068 24.307  0.000000       24.30691 
1 1 1 7   7  12 o 168.343  12.411  249.859    36.225  0.0000     0.0000  249.859    36.225  ?       ?       168.343 12.411  0.000000       12.41148 
1 1 1 7   7  13 o 83.660   14.194  63.150     19.993  0.0000     0.0000  63.150     19.993  ?       ?       83.660  14.194  0.000000       14.19365 
1 1 1 7   7  14 o 101.397  10.809  91.090     18.843  137.950    37.009  74.691     21.893  123.923 17.598  91.151  14.220  32.77199       22.62496 
1 1 1 7   7  15 o 673.034  18.823  3997.97    221.202 4332.28    312.944 3664.17    312.710 697.350 25.701  640.144 27.977  57.20618       37.99031 
1 1 1 7   7  16 o 359.402  11.769  1132.62    73.853  1237.28    104.781 1029.30    104.110 374.949 16.005  341.278 17.530  33.67123       23.73738 
1 1 1 7   7  17 o 528.025  15.263  2452.37    140.721 2645.04    199.171 2260.32    198.849 546.609 20.868  504.706 22.564  41.90231       30.73485 
1 1 1 7   7  18 o 139.064  9.4191  170.098    22.736  188.352    32.925  153.460    31.434  145.899 13.063  131.443 13.907  14.45592       19.08014 
1 1 1 7   7  19 o 235.360  9.7824  485.175    40.201  471.738    57.366  498.143    56.354  231.226 14.279  237.741 13.632  -6.515411      19.74140 
1 1 1 7   7  20 o 374.028  12.208  1227.66    79.729  1283.38    112.987 1172.40    112.522 381.511 16.961  364.488 17.680  17.02267       24.50065 
1 1 1 7   7  21 o 404.219  15.948  1439.42    112.559 1373.35    137.917 1571.21    194.788 393.289 20.151  418.107 26.823  -24.81796      33.54930 
1 1 1 7   7  22 o 232.326  12.456  475.244    50.344  441.410    61.515  543.871    87.611  223.277 15.882  246.883 20.509  -23.60608      25.94001 
1 1 1 7   7  23 o 527.428  18.550  2460.26    170.835 2223.16    209.042 2937.04    296.427 499.219 23.982  569.745 29.902  -70.52573      38.33055 
1 1 1 7   7  24 o 283.506  13.253  706.532    65.603  646.516    80.029  829.480    114.544 270.075 17.058  304.725 21.669  -34.64987      27.57788 
1 1 1 7   7  25 o 304.020  16.980  818.815    89.779  778.807    126.087 859.959    127.865 294.069 24.787  309.447 23.849  -15.37885      34.39711 
1 1 1 7   7  26 o 379.008  15.240  1266.35    100.852 1133.98    173.698 1333.68    123.871 353.434 28.386  388.129 18.278  -34.69510      33.76167 
1 1 1 7   7  27 o 220.482  12.743  428.822    48.848  399.411    82.521  444.687    60.607  210.351 22.834  223.972 15.595  -13.62158      27.65150 
1 1 1 7   7  28 o 244.785  13.248  528.829    56.412  585.964    98.336  500.805    68.871  255.279 22.285  237.426 16.720  17.85332       27.85979 
1 1 1 7   7  29 o 334.743  17.936  996.063    104.453 1085.49    148.988 909.621    146.482 346.738 24.772  316.380 26.767  30.35797       36.47092 
1 1 1 7   7  30 o 184.091  13.191  299.949    42.118  312.839    52.519  276.720    70.505  187.387 16.211  174.092 23.819  13.29524       28.81204 
1 1 1 7   7  31 o 231.527  13.427  474.011    54.046  491.422    67.356  442.538    90.561  235.000 16.520  220.653 23.887  14.34666       29.04289 
1 1 1 7   7  32 o 169.345  14.476  255.092    42.391  281.968    51.999  201.835    73.198  177.511 16.984  146.121 29.702  31.39014       34.21499 
1 1 1 7   7  33 o 362.136  19.317  1173.46    121.704 1294.71    172.477 1053.23    171.755 376.546 26.400  337.647 29.427  38.89877       39.53389 
1 1 1 7   7  34 o 124.835  20.037  142.728    42.197  181.295    57.519  97.781     62.096  139.646 24.482  102.222 31.593  37.42439       39.96852 
1 1 1 7   7  35 o 53.120   21.054  14.458     29.054  8.3519     40.077  21.221     42.180  57.561  23.999  63.663  25.326  -6.101963      34.89032 
1 1 1 7   7  36 o 297.043  17.660  790.544    91.185  752.560    127.690 830.073    130.259 285.656 25.882  300.602 25.045  -14.94589      36.01540 
1 1 1 7   7  37 o 205.970  13.261  377.030    47.439  366.764    57.335  399.312    84.469  202.200 16.380  208.131 23.664  -5.931076      28.78006 
1 1 1 7   7  38 o 67.091   18.956  41.631     23.187  30.050     27.077  73.479     44.902  60.318  20.983  88.395  26.780  -28.07638      34.02166 
1 1 1 7   7  39 o 138.322  13.710  171.579    32.677  154.333    39.715  207.727    57.497  129.865 17.998  149.173 22.798  -19.30801      29.04671 
1 1 1 7   7  40 o 44.460   17.579  10.409     20.208  14.593     24.584  1.6931     35.483  49.895  19.492  51.668  22.108  -1.773758      29.47346 
1 1 1 7   7  41 o 223.951  13.619  448.778    53.002  416.815    92.608  464.347    64.634  209.342 25.887  226.569 16.450  -17.22768      30.67182 
1 1 1 7   7  42 f 380.215  16.075  1303.85    106.718 1369.73    184.758 1270.87    130.732 376.501 28.312  371.457 20.233  5.044037       34.79807 
1 1 1 7   7  43 o 339.592  15.346  1040.40    90.997  1146.50    157.576 987.317    111.461 345.094 26.350  327.005 19.612  18.08823       32.84752 
1 1 1 7   7  44 o 86.533   16.888  70.367     24.601  59.665     29.706  93.727     43.888  78.563  21.175  96.975  25.558  -18.41115      33.19076 
1 1 1 7   7  45 o 114.538  14.913  120.704    29.118  113.236    35.165  136.993    51.934  109.139 19.152  116.648 26.145  -7.509010      32.40915 
1 1 1 7   7  46 o 121.513  14.843  136.086    30.838  147.347    38.454  115.792    51.621  124.959 18.155  105.682 27.654  19.27710       33.08148 
1 1 1 7   7  47 o 68.362   17.730  45.101     21.342  52.480     28.999  36.381     31.523  73.044  21.376  63.665  22.601  9.378586       31.10805 
1 1 1 7   7  48 o 170.902  11.868  264.597    35.196  265.292    49.975  263.913    49.577  167.790 17.306  167.422 17.204  0.3680420      24.40253 
1 1 1 7   7  49 o 69.409   19.257  47.647     24.158  18.901     44.224  59.872     28.841  59.956  25.121  77.141  20.895  -17.18473      32.67521 
1 1 1 7   7  50 o 48.467   19.024  16.210     23.505  22.995     40.372  12.731     28.910  59.353  24.352  49.778  20.536  9.575108       31.85526 
1 1 1 7   7  51 o 95.451   18.177  89.979     29.188  99.121     50.291  85.336     35.843  93.222  28.364  90.090  22.774  3.131790       36.37516 
1 1 1 7   7  52 o 42.961   17.879  8.1164     22.187  -11.7185   39.800  17.060     26.725  47.234  21.590  49.993  20.067  -2.759407      29.47557 
1 1 1 7   7  53 o 112.923  13.848  120.932    26.732  132.132    38.137  110.114    37.481  113.596 19.956  102.117 21.690  11.47974       29.47379 
1 1 1 7   7  54 o 75.302   20.115  60.071     26.950  71.740     45.177  53.625     33.579  77.793  27.101  69.858  23.390  7.935707       35.79921 
1 1 1 7   7  55 o 107.936  17.782  118.381    32.346  88.154     56.979  132.754    39.290  81.595  30.183  111.512 20.948  -29.91689      36.74009 
1 1 1 7   7  56 o 45.481   18.626  13.936     23.562  -16.3900   39.517  30.665     29.350  44.244  20.670  55.942  21.448  -11.69814      29.78676 
1 1 1 7   7  57 o 105.923  15.332  112.030    27.531  99.239     37.422  127.121    40.646  92.132  23.259  105.469 22.741  -13.33648      32.52885 
1 1 1 7   7  58 o 41.058   17.370  8.5220     21.476  -27.9143   28.117  59.552     33.275  34.021  16.332  70.090  23.279  -36.06876      28.43715 
1 1 1 7   7  59 o 52.159   18.880  28.597     22.114  3.8315     30.111  57.592     32.582  43.541  19.438  68.305  23.039  -24.76323      30.14416 
1 1 1 7   7  60 o 64.156   20.111  48.185     25.062  77.753     34.885  16.646     36.029  77.868  23.608  49.518  21.722  28.34969       32.08093 
1 1 1 7   7  61 o 70.532   18.550  56.788     23.150  70.569     33.511  44.206     32.019  73.272  23.291  59.385  22.489  13.88732       32.37622 
1 1 1 7   7  62 f 63.292   20.480  49.777     25.823  57.177     32.731  37.576     42.026  64.884  23.030  55.486  23.906  9.397934       33.19472 
1 1 1 7   7  63 o 48.875   19.355  26.688     24.531  51.716     29.689  -27.1710   43.551  61.837  21.935  40.279  19.575  21.55750       29.39912 
1 1 1 7   8  0  o 542.799  19.305  2600.33    182.964 2478.39    223.950 2845.08    317.285 528.261 24.279  561.381 32.508  -33.11963      40.57420 
1 1 1 7   8  1  o 430.994  14.750  1632.16    111.001 1595.47    156.913 1668.91    157.046 424.687 21.161  434.473 20.701  -9.785950      29.60266 
1 1 1 7   8  2  o 402.742  13.188  1423.44    92.740  1507.24    131.243 1339.86    131.065 413.466 18.179  389.598 19.267  23.86786       26.48940 
1 1 1 7   8  3  o 319.422  11.342  894.230    63.260  903.632    89.432  884.815    89.496  320.486 15.982  316.687 16.239  3.798706       22.78441 
1 1 1 7   8  4  o 477.521  14.821  2004.13    123.576 2035.40    174.801 1972.90    174.724 479.659 20.871  472.141 21.194  7.518311       29.74566 
1 1 1 7   8  5  o 156.663  9.4571  215.643    25.748  222.298    37.009  209.399    35.846  158.558 13.496  153.859 13.479  4.699036       19.07412 
1 1 1 7   8  6  o 396.793  13.359  1382.27    92.553  1439.68    131.014 1325.07    130.765 403.899 18.577  387.317 19.336  16.58255       26.81400 
1 1 1 7   8  7  f 315.691  11.324  873.638    62.419  924.188    88.521  823.650    88.028  324.097 15.643  305.380 16.571  18.71719       22.78782 
1 1 1 7   8  8  o 273.638  11.191  656.361    53.472  687.602    75.694  625.241    75.548  279.119 15.594  265.975 16.347  13.14377       22.59142 
1 1 1 7   8  9  o 244.789  12.165  525.687    51.994  511.407    90.398  532.746    63.559  239.197 21.887  245.691 14.886  -6.493088      26.46933 
1 1 1 7   8  10 o 299.162  17.001  791.387    88.439  758.975    124.936 823.940    125.208 290.861 24.838  303.454 23.822  -12.59216      34.41563 
1 1 1 7   8  11 o 145.509  14.606  188.019    36.610  175.507    50.960  201.365    52.629  139.100 21.689  149.419 20.731  -10.31891      30.00292 
1 1 1 7   8  12 o 393.178  13.459  1358.15    92.396  1348.60    130.684 1367.68    130.652 390.537 19.164  393.326 19.024  -2.788452      27.00339 
1 1 1 7   8  13 o 535.472  16.308  2526.98    152.475 2657.85    215.689 2396.23    215.577 546.812 22.591  518.692 23.803  28.11938       32.81635 
1 1 1 7   8  14 o 306.792  11.840  825.910    63.426  848.396    89.707  803.433    89.689  309.740 16.648  301.285 17.120  8.454559       23.87970 
1 1 1 7   8  15 o 407.371  13.624  1458.84    96.906  1419.35    137.068 1498.31    137.024 400.348 19.608  411.491 19.071  -11.14267      27.35288 
1 1 1 7   8  16 o 260.117  11.289  593.581    51.274  649.221    72.976  539.331    72.059  271.027 15.485  246.662 16.831  24.36571       22.87103 
1 1 1 7   8  17 o 203.285  9.9579  362.185    35.345  382.561    50.533  342.668    49.457  208.074 13.990  196.786 14.496  11.28854       20.14572 
1 1 1 7   8  18 o 253.322  11.218  563.093    49.618  489.824    69.910  637.459    70.432  234.869 17.166  268.573 15.080  -33.70416      22.84926 
1 1 1 7   8  19 o 222.419  10.952  434.048    42.534  387.393    59.790  481.848    60.520  208.834 16.532  233.387 14.929  -24.55283      22.27552 
1 1 1 7   8  20 o 165.361  15.238  243.085    43.502  193.677    61.519  292.500    61.523  145.051 25.204  180.488 19.850  -35.43608      32.08252 
1 1 1 7   8  21 o 91.658   15.155  75.997     23.406  78.770     28.598  70.370     40.735  92.738  18.311  87.524  25.255  5.213333       31.19469 
1 1 1 7   8  22 o 238.970  12.998  503.898    54.032  473.397    66.157  565.002    93.639  230.844 16.523  250.847 21.589  -20.00285      27.18626 
1 1 1 7   8  23 o 327.924  14.255  947.954    81.620  761.274    139.603 1044.91    100.607 288.698 28.048  343.650 16.767  -54.95245      32.67764 
1 1 1 7   8  24 o 164.730  13.475  240.606    38.418  203.609    63.652  261.807    48.185  148.432 25.477  171.292 16.307  -22.86070      30.24945 
1 1 1 7   8  25 o 340.676  12.721  1021.80    75.671  1007.13    106.437 1036.80    107.604 336.287 18.194  341.243 18.124  -4.956726      25.68122 
1 1 1 7   8  26 o 46.314   17.053  15.164     18.150  38.671     22.435  -29.3617   30.876  65.168  18.724  39.047  18.251  26.12133       26.14791 
1 1 1 7   8  27 o 182.225  13.496  294.482    42.635  256.904    49.334  405.366    84.745  169.358 16.909  211.025 23.393  -41.66719      28.86439 
1 1 1 7   8  28 o 377.767  19.453  1277.51    127.880 1277.51    127.880 0.0000     0.0000  377.767 19.453  ?       ?       0.000000       19.45322 
1 1 1 7   8  29 o 318.827  14.402  899.215    80.175  761.742    96.414  1207.36    144.349 291.443 19.051  365.251 22.747  -73.80768      29.67085 
1 1 1 7   8  30 o ?        ?       -250.8912  7.1705  -252.5653  7.8330  -242.2309  17.815  ?       ?       ?       ?       0.000000       ?        
1 1 1 7   8  31 o 278.093  17.166  692.026    82.947  668.315    116.817 716.136    117.798 269.585 25.106  279.525 24.380  -9.940155      34.99498 
1 1 1 7   8  32 o 84.276   22.621  66.684     33.983  89.068     48.517  45.126     47.615  96.798  27.445  75.733  27.660  21.06472       38.96518 
1 1 1 7   8  33 o 269.932  17.057  653.946    79.978  655.219    113.076 652.672    113.137 266.357 24.591  265.797 24.658  0.5596313      34.82448 
1 1 1 7   8  34 o 140.548  16.635  179.012    40.033  179.012    40.033  0.0000     0.0000  140.548 16.635  ?       ?       0.000000       16.63549 
1 1 1 7   8  35 o 278.497  17.035  698.782    82.439  698.782    82.439  0.0000     0.0000  278.497 17.035  ?       ?       0.000000       17.03501 
1 1 1 7   8  36 o 78.279   19.293  57.746     26.201  61.497     37.618  54.212     36.516  80.767  24.521  76.549  24.311  4.217918       34.53002 
1 1 1 7   8  37 o 135.279  16.150  166.764    37.393  139.605    53.230  193.224    52.540  119.724 26.191  143.541 21.635  -23.81624      33.97147 
1 1 1 7   8  38 o 90.205   15.763  75.244     23.924  82.598     40.012  71.151     29.848  92.102  24.466  86.427  20.150  5.675056       31.69561 
1 1 1 7   8  39 o 190.563  11.042  323.540    36.583  285.131    50.963  364.371    52.546  176.552 16.731  200.555 15.116  -24.00255      22.54879 
1 1 1 7   8  40 o 196.727  13.006  348.182    44.425  336.054    53.520  375.052    79.661  191.742 16.136  197.880 23.516  -6.138306      28.51990 
1 1 1 7   8  41 o 36.402   16.048  -4.2483    19.889  -4.2483    19.889  0.0000     0.0000  36.402  16.048  ?       ?       0.000000       16.04827 
1 1 1 7   8  42 o 238.079  13.447  513.200    55.669  500.109    67.401  541.299    98.747  232.786 16.693  235.291 24.390  -2.505692      29.55557 
1 1 1 7   8  43 o 171.146  13.345  266.560    39.563  262.242    46.975  277.098    73.383  168.155 16.200  165.535 26.266  2.619522       30.85964 
1 1 1 7   8  44 o 37.845   15.920  3.2979     17.879  -0.3403    19.737  19.932     42.202  37.723  16.318  60.075  24.801  -22.35142      29.68785 
1 1 1 7   8  45 o 153.700  12.018  214.851    31.996  229.243    43.570  198.005    47.139  156.316 16.198  143.106 19.362  13.21071       25.24428 
1 1 1 7   8  46 o 33.123   15.703  -25.3209   24.340  -19.8042   31.096  -34.0485   39.112  40.136  18.609  42.419  20.048  -2.282639      27.35413 
1 1 1 7   8  47 o 54.945   21.401  23.415     29.565  37.390     38.863  4.2147     45.552  64.519  24.694  55.202  24.314  9.317249       34.65493 
1 1 1 7   8  48 o 49.713   20.708  12.517     29.800  2.4558     39.973  25.104     44.711  51.517  22.730  60.885  25.363  -9.367554      34.05766 
1 1 1 7   8  49 o 109.061  21.680  124.114    39.830  136.326    54.470  110.081    58.390  107.910 28.489  94.309  30.815  13.60129       41.96642 
1 1 1 7   8  50 o 83.880   23.624  77.950     36.074  63.524     48.769  95.379     53.607  74.634  27.861  87.730  29.553  -13.09541      40.61551 
1 1 1 7   8  51 o 125.059  13.569  148.795    29.154  158.688    40.297  137.931    42.230  124.436 19.161  113.111 22.175  11.32571       29.30669 
1 1 1 7   8  52 o 46.154   18.174  16.598     21.516  28.096     34.301  9.1398     27.626  56.361  22.695  45.725  19.534  10.63527       29.94412 
1 1 1 7   8  53 o 48.141   18.947  19.349     23.376  22.196     39.011  17.754     29.198  54.809  23.309  49.678  20.579  5.130741       31.09318 
1 1 1 7   8  54 o 30.750   14.407  -14.0637   19.438  -31.6918   28.973  0.3652     26.212  34.020  16.395  40.857  18.196  -6.837231      24.49235 
1 1 1 7   8  55 o 70.069   18.244  53.313     22.541  36.520     31.447  71.058     32.326  57.849  22.196  77.148  22.566  -19.29884      31.65256 
1 1 1 7   8  56 o 71.595   18.533  56.689     23.348  79.873     32.186  30.940     33.920  81.798  22.039  54.938  22.406  26.85914       31.42830 
1 1 1 7   8  57 o 106.578  20.842  131.060    37.397  131.060    37.397  0.0000     0.0000  106.578 20.842  ?       ?       0.000000       20.84240 
1 1 1 7   8  58 o 34.711   16.527  -19.4036   27.541  -19.4036   27.541  0.0000     0.0000  34.711  16.527  ?       ?       0.000000       16.52664 
1 1 1 7   8  59 o 45.847   18.259  20.613     21.947  30.726     31.747  11.356     30.374  52.269  21.537  44.566  19.730  7.702278       29.20863 
1 1 1 7   8  60 o 43.799   18.097  17.459     22.498  21.971     34.069  13.969     29.960  48.450  21.191  44.668  19.694  3.781872       28.93000 
1 1 1 7   9  0  o 278.930  10.985  682.251    53.502  638.085    75.427  726.973    75.900  268.590 16.159  286.956 15.203  -18.36572      22.18591 
1 1 1 7   9  1  o 361.712  12.892  1149.29    81.425  1138.07    115.054 1160.55    115.250 358.336 18.451  361.910 18.297  -3.574646      25.98540 
1 1 1 7   9  2  o 103.954  9.7204  95.499     17.439  98.948     24.326  91.853     25.013  105.248 13.552  101.155 14.583  4.092857       19.90792 
1 1 1 7   9  3  o 271.995  11.465  649.109    54.448  651.469    76.859  646.732    77.143  271.327 16.299  270.308 16.422  1.018799       23.13759 
1 1 1 7   9  4  f 493.436  15.681  2145.81    135.101 2158.19    191.263 2133.49    190.862 492.524 22.240  489.663 22.323  2.860870       31.51132 
1 1 1 7   9  5  o 195.177  10.687  335.047    36.283  301.925    51.646  367.323    50.983  184.331 16.211  203.795 14.421  -19.46347      21.69693 
1 1 1 7   9  6  o 327.808  14.105  945.568    80.732  968.054    140.432 934.468    98.666  328.179 24.688  324.748 17.464  3.430786       30.24081 
1 1 1 7   9  7  o 334.123  14.502  982.933    84.608  1010.82    147.066 969.138    103.441 335.070 25.324  330.551 17.990  4.518646       31.06346 
1 1 1 7   9  8  o 106.633  12.487  101.246    22.810  113.495    40.488  95.551     27.608  111.135 21.643  102.921 15.873  8.213631       26.83978 
1 1 1 7   9  9  o 92.087   11.906  75.692     18.696  38.530     28.007  105.559    25.108  66.505  21.309  108.726 13.518  -42.22088      25.23511 
1 1 1 7   9  10 o 38.950   14.311  10.624     12.774  1.4490     20.572  16.381     16.296  40.368  17.035  46.063  16.261  -5.695717      23.54988 
1 1 1 7   9  11 o 159.220  10.452  223.328    28.896  255.986    41.919  193.760    39.886  169.895 14.263  147.365 15.745  22.52922       21.24442 
1 1 1 7   9  12 o 619.798  20.380  3416.44    220.559 4178.23    382.514 3037.01    269.955 676.014 32.406  580.615 26.628  95.39880       41.94307 
1 1 1 7   9  13 o 422.432  15.501  1575.20    114.337 1884.17    198.949 1422.83    139.715 457.382 25.006  399.520 20.092  57.86276       32.07822 
1 1 1 7   9  14 o 248.799  10.615  543.309    46.116  542.804    65.399  543.809    65.037  247.542 15.204  247.795 15.104  -0.2532196     21.43108 
1 1 1 7   9  15 o 406.745  13.491  1457.21    95.814  1251.89    134.695 1667.54    136.324 374.243 20.693  433.619 18.005  -59.37589      27.42974 
1 1 1 7   9  16 o 256.784  11.342  579.398    50.854  532.741    70.576  629.784    73.342  244.789 16.610  266.452 15.835  -21.66306      22.94914 
1 1 1 7   9  17 o 421.709  29.683  1630.66    217.175 1630.66    217.175 0.0000     0.0000  421.709 29.683  ?       ?       0.000000       29.68341 
1 1 1 7   9  18 o 255.682  23.513  592.213    103.797 592.213    103.797 0.0000     0.0000  255.682 23.513  ?       ?       0.000000       23.51349 
1 1 1 7   9  19 o ?        ?       -258.8107  7.5306  -258.8107  7.5306  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 7   9  20 o 315.835  17.813  889.605    97.831  772.817    137.345 1009.89    139.386 290.111 27.439  333.744 24.081  -43.63245      36.50764 
1 1 1 7   9  21 o 507.128  18.551  2292.16    164.267 2269.79    201.189 2336.88    284.506 501.927 22.956  500.486 32.737  1.440491       39.98357 
1 1 1 7   9  22 f 442.582  16.489  1739.61    127.422 1955.04    156.051 1308.60    220.724 467.831 19.104  372.244 34.347  95.58698       39.30191 
1 1 1 7   9  23 o 252.235  16.952  568.477    74.225  513.538    102.751 628.433    107.340 236.377 25.288  262.490 23.675  -26.11342      34.64039 
1 1 1 7   9  24 o 75.919   20.139  53.577     27.135  45.142     31.797  76.187     52.057  71.123  22.696  91.080  29.038  -19.95675      36.85512 
1 1 1 7   9  25 o 191.662  13.663  326.710    45.424  307.691    53.882  373.428    84.448  185.078 16.858  201.087 24.562  -16.00937      29.79088 
1 1 1 7   9  26 o 233.002  13.482  482.263    54.615  431.518    65.680  595.971    98.319  219.128 17.307  255.499 22.261  -36.37122      28.19740 
1 1 1 7   9  27 o 259.984  13.465  600.549    60.916  536.068    73.292  744.599    109.546 244.199 17.301  285.506 22.148  -41.30707      28.10435 
1 1 1 7   9  28 o 244.502  24.310  553.761    102.407 553.761    102.407 0.0000     0.0000  244.502 24.310  ?       ?       0.000000       24.30989 
1 1 1 7   9  29 o 295.907  16.752  787.213    86.197  653.227    119.765 931.200    124.154 263.881 26.345  318.318 22.482  -54.43683      34.63424 
1 1 1 7   9  30 o 203.798  12.687  369.961    44.921  308.533    74.024  405.769    56.516  181.423 23.954  212.516 15.334  -31.09320      28.44111 
1 1 1 7   9  31 o 87.775   21.670  73.424     33.013  0.0000     0.0000  73.424     33.013  ?       ?       87.775  21.670  0.000000       21.67022 
1 1 1 7   9  32 o 175.397  12.816  275.274    38.979  223.359    63.307  306.972    49.467  152.993 24.527  184.257 15.520  -31.26408      29.02486 
1 1 1 7   9  33 o 145.670  13.439  191.130    33.797  130.607    53.617  231.033    43.536  114.840 27.164  159.358 15.857  -44.51781      31.45382 
1 1 1 7   9  34 o 55.782   17.253  28.418     18.515  20.307     23.643  41.281     29.773  52.226  19.418  67.165  22.007  -14.93880      29.34881 
1 1 1 7   9  35 o 91.514   14.071  76.927     21.764  54.679     28.460  108.262    33.775  75.393  20.895  107.160 18.733  -31.76727      28.06330 
1 1 1 7   9  36 o 73.440   18.901  51.752     24.380  79.477     39.442  34.609     31.015  89.399  24.527  63.212  22.420  26.18649       33.23023 
1 1 1 7   9  37 o 110.116  16.358  113.089    30.495  134.596    51.383  101.395    37.890  115.271 26.132  101.704 21.978  13.56701       34.14509 
1 1 1 7   9  38 o 82.280   18.384  65.266     25.746  105.322    44.731  45.421     31.485  101.673 25.299  69.010  22.631  32.66282       33.94398 
1 1 1 7   9  39 o 110.401  18.514  116.724    34.426  109.139    48.583  124.373    48.788  102.148 26.876  109.790 25.874  -7.642532      37.30669 
1 1 1 7   9  40 o 142.328  13.425  185.843    32.970  187.715    40.721  182.280    56.173  141.143 16.857  133.528 25.012  7.615067       30.16239 
1 1 1 7   9  41 o 110.156  14.384  113.168    27.005  123.830    33.505  93.399     45.624  113.694 17.434  93.384  26.661  20.31036       31.85540 
1 1 1 7   9  42 o 54.262   17.683  27.701     19.233  29.296     24.183  24.953     31.730  56.572  19.822  56.821  22.159  -0.2487564     29.73096 
1 1 1 7   9  43 o 46.493   18.083  15.386     21.087  6.9050     30.453  23.198     29.229  48.048  20.518  54.618  21.277  -6.569988      29.55810 
1 1 1 7   9  44 o 76.698   18.002  58.860     23.695  23.155     37.579  82.425     30.529  57.521  23.535  89.942  19.961  -32.42046      30.86007 
1 1 1 7   9  45 o 31.188   14.329  -10.2246   17.844  -7.1289    26.272  -12.8758   24.313  39.639  17.888  36.212  16.670  3.426655       24.45186 
1 1 1 7   9  46 o 78.956   18.093  63.459     24.409  85.077     38.827  49.333     31.386  86.974  24.514  67.972  22.611  19.00131       33.34934 
1 1 1 7   9  47 o 150.044  13.397  213.190    34.730  151.109    56.985  249.876    43.805  110.541 29.118  160.068 15.883  -49.52615      33.16854 
1 1 1 7   9  48 o 63.143   19.165  42.092     22.981  50.578     25.192  0.0022     56.106  68.659  19.875  55.300  25.408  13.35876       32.25816 
1 1 1 7   9  49 o 135.504  12.735  174.767    29.777  168.528    38.905  183.590    46.268  128.196 17.867  130.334 21.048  -2.138687      27.60871 
1 1 1 7   9  50 o 52.803   19.970  27.358     25.229  47.874     35.586  6.6272     35.773  64.363  23.844  48.007  21.325  16.35620       31.98940 
1 1 1 7   9  51 f 72.140   21.035  59.811     28.126  64.043     37.279  54.217     42.854  71.458  24.634  66.053  25.755  5.404236       35.63924 
1 1 1 7   9  52 o 46.900   19.237  17.688     25.184  29.129     33.403  2.6201     38.334  54.266  22.194  46.930  21.349  7.335629       30.79576 
1 1 1 7   9  53 o 82.039   17.151  72.190     23.777  60.801     29.032  95.394     41.438  70.943  21.543  83.908  25.788  -12.96535      33.60183 
1 1 1 7   9  54 o 22.673   11.172  -28.9119   15.741  -29.8636   17.830  -25.5490   33.515  24.575  12.066  37.134  17.828  -12.55911      21.52688 
1 1 1 7   9  55 o 38.918   15.964  11.052     17.344  6.6393     19.716  26.155     36.475  37.960  16.365  51.556  22.242  -13.59661      27.61363 
1 1 1 7   9  56 o 38.667   15.817  11.499     16.969  7.3101     19.155  26.772     36.576  37.614  16.173  50.933  22.122  -13.31862      27.40347 
1 1 1 7   9  57 o 49.313   17.843  27.966     19.748  30.415     23.093  21.302     38.095  50.655  19.119  48.576  21.762  2.079472       28.96752 
1 1 1 7   10 0  o 442.232  17.319  1733.47    133.730 1698.02    164.051 1803.71    230.880 435.889 21.555  443.617 29.983  -7.727875      36.92649 
1 1 1 7   10 1  o ?        ?       -35.4415   4.7918  -35.9629   15.123  -35.3833   5.0521  21.480  10.651  ?       ?       0.000000       10.65065 
1 1 1 7   10 2  o 244.910  16.201  533.040    68.888  512.078    98.821  552.855    96.080  237.485 24.168  247.469 22.481  -9.983734      33.00758 
1 1 1 7   10 3  o 95.285   24.907  84.836     41.902  84.836     41.902  0.0000     0.0000  95.285  24.907  ?       ?       0.000000       24.90670 
1 1 1 7   10 4  o ?        ?       -194.6280  5.7673  0.0000     0.0000  -194.6280  5.7673  ?       ?       ?       ?       0.000000       ?        
1 1 1 7   10 5  o 293.209  24.328  779.579    123.424 0.0000     0.0000  779.579    123.424 ?       ?       293.209 24.328  0.000000       24.32773 
1 1 1 7   10 6  o 460.440  15.442  1875.45    124.150 2101.67    153.305 1444.42    211.617 486.250 18.057  395.366 30.900  90.88440       35.78876 
1 1 1 7   10 7  o 164.517  18.626  243.825    52.563  75.542     79.876  372.356    69.808  97.393  35.787  203.335 19.918  -105.9426      40.95607 
1 1 1 7   10 8  o 368.643  17.104  1206.59    110.093 1506.88    158.374 925.790    153.148 409.058 22.257  317.484 27.910  91.57361       35.69810 
1 1 1 7   10 9  o 411.492  16.834  1503.19    120.954 2102.25    172.858 928.468    169.308 484.737 20.423  315.898 31.098  168.8399       37.20482 
1 1 1 7   10 10 o 586.490  25.582  3122.93    261.970 3122.93    261.970 0.0000     0.0000  586.490 25.582  ?       ?       0.000000       25.58158 
1 1 1 7   10 11 o 231.900  12.836  475.755    51.772  604.567    65.719  265.068    84.049  261.056 14.474  167.513 29.829  93.54251       33.15556 
1 1 1 7   10 12 o ?        ?       -1288.8831 63.479  -1313.8390 89.474  -1263.5909 90.075  ?       ?       ?       ?       0.000000       ?        
1 1 1 7   10 13 o 390.251  15.855  1351.91    108.040 1281.29    131.847 1496.24    188.495 377.562 20.072  403.583 26.903  -26.02136      33.56547 
1 1 1 7   10 14 o 240.307  16.409  515.773    68.440  515.773    68.440  0.0000     0.0000  240.307 16.409  ?       ?       0.000000       16.40902 
1 1 1 7   10 15 f 144.486  13.792  186.345    34.372  193.612    43.289  173.945    56.543  146.419 17.264  136.370 24.654  10.04906       30.09759 
1 1 1 7   10 16 o 189.197  13.235  318.068    43.447  295.008    53.319  363.635    74.952  181.120 17.061  199.497 21.876  -18.37766      27.74228 
1 1 1 7   10 17 o 419.781  13.865  1561.38    101.628 1615.79    143.571 1506.74    143.876 424.065 19.390  409.045 20.144  15.02039       27.95992 
1 1 1 7   10 18 o 485.838  14.731  2096.95    124.964 2155.37    176.602 2038.36    176.851 488.456 20.707  474.515 21.345  13.94141       29.73827 
1 1 1 7   10 19 o 157.638  11.626  220.583    31.774  251.469    42.880  182.974    47.317  167.548 14.810  141.234 19.726  26.31432       24.66659 
1 1 1 7   10 20 o 201.987  11.281  361.310    39.628  358.126    55.208  364.693    56.915  199.685 15.968  201.392 16.326  -1.707184      22.83629 
1 1 1 7   10 21 o 187.233  11.330  310.844    36.866  292.817    51.290  330.112    53.026  180.151 16.488  191.537 16.002  -11.38527      22.97671 
1 1 1 7   10 22 o 42.244   17.507  4.8898     21.144  11.615     23.187  -28.3039   51.513  47.376  18.799  53.722  24.558  -6.345612      30.92750 
1 1 1 7   10 23 o 384.234  15.141  1320.24    101.580 1143.74    123.247 1694.11    179.375 354.011 20.021  426.938 24.161  -72.92715      31.37826 
1 1 1 7   10 24 o 164.857  13.082  243.282    37.348  244.591    45.574  240.605    65.172  164.277 16.095  159.397 24.175  4.880234       29.04256 
1 1 1 7   10 25 o 220.688  16.358  441.050    62.586  0.0000     0.0000  441.050    62.586  ?       ?       220.688 16.358  0.000000       16.35837 
1 1 1 7   10 26 o 89.025   19.757  75.239     29.909  0.0000     0.0000  75.239     29.909  ?       ?       89.025  19.757  0.000000       19.75684 
1 1 1 7   10 27 o 174.021  15.996  275.768    48.059  0.0000     0.0000  275.768    48.059  ?       ?       174.021 15.996  0.000000       15.99563 
1 1 1 7   10 28 o 141.765  16.834  185.005    40.856  0.0000     0.0000  185.005    40.856  ?       ?       141.765 16.834  0.000000       16.83430 
1 1 1 7   10 29 o 173.505  10.952  268.831    33.010  228.993    45.724  312.197    47.706  157.651 16.873  185.340 14.867  -27.68846      22.48771 
1 1 1 7   10 30 o 57.208   16.884  30.567     18.025  28.298     25.054  33.001     25.953  57.446  20.173  60.700  20.562  -3.253006      28.80521 
1 1 1 7   10 31 o 169.691  10.883  257.861    32.076  217.685    43.802  304.323    47.104  153.285 16.632  182.464 14.915  -29.17905      22.34052 
1 1 1 7   10 32 o 166.474  10.999  248.751    31.791  229.755    43.717  270.072    46.314  157.521 16.122  171.151 15.672  -13.63025      22.48380 
1 1 1 7   10 33 o 60.589   15.713  34.966     16.763  10.439     21.701  71.251     26.395  44.805  18.048  85.975  18.152  -41.17019      25.59765 
1 1 1 7   10 34 o 123.335  11.672  138.060    24.837  115.869    33.193  166.291    37.439  110.122 17.876  133.109 16.459  -22.98696      24.29908 
1 1 1 7   10 35 o 93.764   13.030  81.306     20.756  55.021     27.222  117.811    32.080  74.326  20.370  111.200 17.068  -36.87363      26.57543 
1 1 1 7   10 36 o 151.853  12.904  211.620    33.891  198.479    40.805  240.845    60.855  144.897 16.418  154.213 23.329  -9.315521      28.52727 
1 1 1 7   10 37 o 88.217   16.587  75.219     24.612  69.135     29.700  88.556     43.971  82.523  20.659  90.295  26.292  -7.772598      33.43783 
1 1 1 7   10 38 o 139.347  17.647  188.107    41.975  223.428    57.785  148.651    61.075  147.014 23.287  112.898 30.335  34.11670       38.24218 
1 1 1 7   10 39 o 28.914   13.587  -15.9675   17.502  -41.7387   26.658  3.5558     23.202  31.190  15.193  41.638  17.848  -10.44839      23.43872 
1 1 1 7   10 40 o 132.701  14.267  166.673    32.539  142.605    54.160  180.267    40.704  110.964 27.964  135.420 17.632  -24.45615      33.05894 
1 1 1 7   10 41 o 63.090   18.434  40.651     21.582  -10.5610   32.699  80.179     28.728  42.811  19.569  88.330  19.177  -45.51896      27.39848 
1 1 1 7   10 42 o 34.725   16.152  -15.0746   23.717  0.0000     0.0000  -15.0746   23.717  ?       ?       34.725  16.152  0.000000       16.15211 
1 1 1 7   10 43 o 31.858   15.135  -22.0945   22.848  0.0000     0.0000  -22.0945   22.848  ?       ?       31.858  15.135  0.000000       15.13498 
1 1 1 7   10 44 o 48.787   18.244  21.680     20.930  37.841     32.250  9.9191     27.512  60.152  22.617  45.774  19.523  14.37820       29.87731 
1 1 1 7   10 45 o 42.809   17.587  11.670     21.092  8.0013     30.135  15.193     29.531  46.006  20.032  48.525  20.440  -2.518780      28.61892 
1 1 1 7   10 46 o 105.176  16.001  112.232    28.459  107.446    33.214  125.452    55.201  99.281  19.853  93.724  29.904  5.557602       35.89434 
1 1 1 7   10 47 o 44.268   18.667  12.082     24.676  37.385     33.907  -16.4062   35.978  58.268  22.856  41.342  19.444  16.92594       30.00771 
1 1 1 7   10 48 o 44.103   18.257  14.135     22.960  4.0275     29.989  28.453     35.691  43.425  19.392  54.140  22.616  -10.71558      29.79152 
1 1 1 7   10 49 o 44.855   17.800  17.840     20.790  32.004     30.817  6.0094     28.164  54.264  21.628  42.828  18.978  11.43581       28.77428 
1 1 1 7   10 50 o 37.040   15.754  6.7243     17.823  7.3944     22.338  5.5502     29.567  40.026  17.337  42.911  19.202  -2.884953      25.87041 
1 1 1 7   10 51 o 52.617   17.538  31.098     18.880  40.113     23.988  16.425     30.604  57.807  19.768  46.576  20.233  11.23088       28.28663 
1 1 1 7   10 52 o 30.092   13.810  -5.4360    16.505  1.4890     20.887  -16.9509   26.934  36.086  16.144  34.339  16.348  1.747017       22.97574 
1 1 1 7   10 53 o 20.703   10.210  -24.3826   13.241  -29.1770   15.338  -10.3550   26.236  21.891  10.832  35.221  16.577  -13.32966      19.80220 
1 1 1 7   10 54 o 37.147   16.008  8.2850     18.849  2.3418     20.431  42.273     48.857  35.446  15.905  53.788  24.323  -18.34163      29.06122 
1 1 1 7   11 0  o 138.012  11.978  169.440    28.578  171.448    35.548  165.771    48.054  138.121 14.980  133.901 21.264  4.220047       26.01069 
1 1 1 7   11 1  o 134.804  15.423  163.713    35.649  121.431    51.749  201.899    49.179  112.585 26.725  148.657 19.410  -36.07201      33.02938 
1 1 1 7   11 2  o 302.856  12.422  811.048    65.691  816.739    93.009  805.383    92.793  301.454 17.749  299.302 17.837  2.152039       25.16282 
1 1 1 7   11 3  f 446.673  17.258  1785.71    134.599 1759.92    164.499 1837.95    234.135 440.549 21.385  440.892 30.603  -0.3435059     37.33465 
1 1 1 7   11 4  o 176.433  12.470  276.720    38.167  266.514    46.251  298.506    67.577  172.280 15.543  180.051 21.949  -7.770676      26.89506 
1 1 1 7   11 5  o 190.706  10.300  321.388    34.171  309.387    48.373  333.342    48.278  185.837 15.036  193.133 14.420  -7.296051      20.83357 
1 1 1 7   11 6  o 147.559  11.283  193.353    28.851  197.650    41.750  189.426    39.915  147.828 16.454  144.804 16.057  3.023788       22.99043 
1 1 1 7   11 7  o 189.584  11.229  318.512    37.006  348.980    53.029  289.589    51.665  197.180 15.528  179.115 16.713  18.06502       22.81312 
1 1 1 7   11 8  o 80.050   12.827  58.169     17.323  45.967     26.079  67.803     23.173  70.318  20.183  85.781  16.062  -15.46257      25.79455 
1 1 1 7   11 9  o 75.062   15.208  52.018     19.249  55.410     25.542  47.560     29.286  76.835  19.116  71.695  21.607  5.140564       28.84948 
1 1 1 7   11 10 o 324.955  14.634  941.848    83.035  964.298    101.224 895.659    145.189 326.708 17.812  307.987 27.281  18.72083       32.58054 
1 1 1 7   11 11 o 293.520  13.949  767.478    71.491  758.153    86.941  786.949    125.628 289.734 17.264  289.983 25.058  -0.2486267     30.42895 
1 1 1 7   11 12 o 297.075  14.241  787.456    73.871  823.190    90.151  714.429    128.876 301.827 17.177  274.173 27.283  27.65460       32.23996 
1 1 1 7   11 13 o 414.845  16.408  1548.03    118.850 1537.78    145.372 1568.70    206.393 410.284 20.292  403.823 29.475  6.460785       35.78466 
1 1 1 7   11 14 o 98.998   14.081  89.167     23.655  130.381    32.765  44.299     34.187  119.419 16.126  70.357  23.601  49.06179       28.58388 
1 1 1 7   11 15 o 32.970   14.542  -4.2267    16.348  -4.7009    22.135  -3.6577    24.248  38.597  16.976  40.920  17.888  -2.322708      24.66164 
1 1 1 7   11 16 o 355.129  12.461  1122.99    77.268  1134.15    109.048 1111.75    109.502 352.966 17.750  349.238 18.019  3.728821       25.29315 
1 1 1 7   11 17 o 212.918  12.952  406.100    47.925  381.599    58.251  457.428    84.310  204.796 16.428  220.832 22.164  -16.03639      27.58889 
1 1 1 7   11 18 o 193.807  13.042  337.205    43.878  315.794    52.669  385.768    79.322  186.055 16.380  201.848 22.912  -15.79259      28.16493 
1 1 1 7   11 19 o 144.073  13.550  187.644    33.685  168.554    39.676  236.932    63.752  135.070 17.214  156.807 24.052  -21.73633      29.57763 
1 1 1 7   11 20 o 103.492  16.774  99.756     29.275  102.204    50.820  98.541     35.814  100.454 27.952  101.225 20.953  -0.7710419     34.93303 
1 1 1 7   11 21 o 46.262   18.478  11.391     22.538  -44.4040   43.403  31.990     26.372  44.262  20.979  60.261  20.723  -15.99883      29.48787 
1 1 1 7   11 22 o 48.826   19.383  13.708     24.658  0.0000     0.0000  13.708     24.658  ?       ?       48.826  19.383  0.000000       19.38258 
1 1 1 7   11 23 o 154.280  13.533  216.315    36.087  259.153    62.452  194.842    44.216  163.741 22.434  144.246 17.943  19.49460       28.72693 
1 1 1 7   11 24 o 212.106  13.464  408.198    49.604  450.489    86.319  387.345    60.612  215.063 23.363  204.218 17.157  10.84453       28.98588 
1 1 1 7   11 25 o 106.285  16.061  105.823    28.876  153.859    50.209  82.082     35.298  123.982 24.061  90.682  22.420  33.30046       32.88721 
1 1 1 7   11 26 o 55.293   18.219  28.021     20.396  39.122     29.350  17.655     28.363  64.603  21.867  52.514  20.806  12.08950       30.18372 
1 1 1 7   11 27 o 55.824   18.163  28.950     20.294  22.786     28.120  35.650     29.317  54.825  21.000  62.349  21.826  -7.523598      30.28798 
1 1 1 7   11 28 o 149.792  12.050  204.173    31.251  170.997    42.915  241.628    45.598  133.085 19.008  160.288 16.529  -27.20364      25.18967 
1 1 1 7   11 29 o 151.302  11.647  208.180    30.534  210.725    43.103  205.616    43.261  149.076 16.855  147.023 17.175  2.052551       24.06422 
1 1 1 7   11 30 o 105.528  13.284  103.444    23.934  81.297     34.706  123.527    33.049  88.753  22.396  113.280 17.254  -24.52641      28.27125 
1 1 1 7   11 31 o 104.137  14.725  102.478    26.027  122.001    42.204  90.496     33.063  108.363 23.016  94.456  20.625  13.90698       30.90546 
1 1 1 7   11 32 o 101.729  14.736  98.273     25.413  102.059    41.121  95.933     32.324  97.482  24.256  97.597  19.648  -0.1151352     31.21573 
1 1 1 7   11 33 o 63.623   20.180  40.971     25.167  14.256     34.503  71.345     36.789  52.581  22.118  80.978  24.175  -28.39663      32.76624 
1 1 1 7   11 34 o 88.640   19.701  80.759     29.700  63.192     40.832  100.496    43.281  75.437  25.790  94.452  25.602  -19.01525      36.34031 
1 1 1 7   11 35 o 52.222   19.096  24.910     22.703  35.089     29.034  8.8907     36.422  59.680  21.629  50.903  22.093  8.776657       30.91770 
1 1 1 7   11 36 o 73.270   17.583  54.821     22.209  49.846     34.477  58.349     29.035  67.680  23.670  73.465  21.358  -5.785439      31.88107 
1 1 1 7   11 37 o 140.329  13.613  187.811    32.935  160.960    53.983  203.732    41.567  116.186 27.106  142.980 16.982  -26.79393      31.98637 
1 1 1 7   11 38 o 46.632   17.728  18.714     19.947  1.3338     31.796  29.993     25.615  45.033  20.049  55.071  20.261  -10.03734      28.50394 
1 1 1 7   11 39 o 133.557  12.256  169.066    28.262  170.250    38.985  167.754    41.031  128.699 17.827  126.281 19.215  2.418327       26.21105 
1 1 1 7   11 40 o 142.350  12.078  192.414    29.737  184.069    41.032  201.646    43.157  132.858 18.163  139.040 18.215  -6.182449      25.72328 
1 1 1 7   11 41 o 48.971   17.206  24.014     18.228  33.312     24.494  12.474     27.288  55.777  19.909  45.838  19.494  9.938644       27.86400 
1 1 1 7   11 42 o 39.676   15.868  11.575     16.644  16.792     21.815  4.3078     25.748  45.184  18.132  41.493  18.278  3.691093       25.74621 
1 1 1 7   11 43 o 56.320   19.754  35.522     24.021  22.920     38.759  43.382     30.609  52.642  22.819  60.380  22.158  -7.737999      31.80695 
1 1 1 7   11 44 o 53.438   20.079  31.517     25.412  -1.7147    44.222  47.901     31.051  47.158  21.975  62.117  22.390  -14.95969      31.37218 
1 1 1 7   11 45 o 36.425   16.500  -2.0495    22.596  -5.1446    39.341  -0.5258    27.603  44.081  20.604  39.919  18.143  4.162144       27.45301 
1 1 1 7   11 46 o 54.074   19.552  34.222     23.705  9.9282     34.526  55.887     32.605  45.675  20.569  64.481  22.975  -18.80600      30.83723 
1 1 1 7   11 47 o 58.456   17.884  39.850     19.957  46.414     25.483  29.441     32.092  60.736  20.376  51.243  21.429  9.492397       29.57027 
1 1 1 7   11 48 o 42.792   18.090  15.335     23.269  24.270     34.982  8.2442     31.163  49.002  21.452  42.913  19.413  6.089520       28.93220 
1 1 1 7   11 49 o 56.560   19.699  41.250     23.866  53.697     35.422  30.901     32.299  59.447  23.347  50.301  21.292  9.145794       31.59792 
1 1 1 7   11 50 o 44.992   18.611  22.019     23.832  28.080     35.764  17.177     31.964  48.652  21.481  44.641  19.971  4.010391       29.33060 
1 1 1 7   12 0  o 228.022  12.632  466.103    50.097  434.506    61.290  529.710    86.959  218.307 16.194  237.706 21.173  -19.39876      26.65628 
1 1 1 7   12 1  o 210.579  12.341  397.345    45.177  389.409    55.370  413.151    78.137  206.973 15.432  209.306 21.695  -2.333252      26.62391 
1 1 1 7   12 2  o 39.432   13.729  12.645     11.593  4.9124     14.866  24.642     18.518  36.288  14.820  52.744  17.359  -16.45657      22.82488 
1 1 1 7   12 3  o 162.356  10.383  234.916    29.281  235.832    34.116  232.354    57.055  162.071 12.144  156.469 21.448  5.601349       24.64725 
1 1 1 7   12 4  o 33.175   12.978  6.1387     10.910  10.821     16.811  2.7316     14.340  41.781  16.175  34.386  14.348  7.395222       21.62155 
1 1 1 7   12 5  o 219.665  10.742  429.185    41.202  355.743    56.974  509.699    59.654  196.804 16.739  237.213 14.472  -40.40918      22.12727 
1 1 1 7   12 6  o 118.350  13.238  127.262    26.888  148.451    32.291  79.359     48.552  127.338 14.799  88.992  28.007  38.34581       31.67685 
1 1 1 7   12 7  o 82.893   15.777  64.367     22.001  61.567     26.736  70.242     38.724  79.960  19.357  84.222  24.717  -4.261208      31.39432 
1 1 1 7   12 8  o 148.916  16.260  204.606    41.593  289.710    60.079  126.273    57.639  175.233 19.993  110.143 29.416  65.09058       35.56697 
1 1 1 7   12 9  o 124.813  13.116  141.604    28.158  155.510    34.067  111.625    50.022  129.967 15.306  104.408 27.175  25.55903       31.18903 
1 1 1 7   12 10 o 219.194  11.310  430.491    43.139  446.256    60.978  414.695    61.037  220.437 15.950  212.016 16.621  8.421448       23.03613 
1 1 1 7   12 11 o 78.758   15.758  58.498     20.913  74.329     25.724  27.638     35.915  88.461  17.274  61.154  23.652  27.30675       29.28795 
1 1 1 7   12 12 f 70.517   16.273  47.353     19.629  54.443     23.776  32.176     34.786  75.109  18.298  62.751  23.510  12.35837       29.79135 
1 1 1 7   12 13 o 84.007   15.327  66.309     21.653  64.788     26.211  69.577     38.427  81.783  18.754  83.037  24.689  -1.254105      31.00422 
1 1 1 7   12 14 o 45.929   16.723  16.713     17.385  -11.0060   27.263  35.709     22.569  40.183  18.170  61.349  19.061  -21.16571      26.33360 
1 1 1 7   12 15 o 53.136   17.549  25.666     18.919  -3.1047    26.623  55.017     26.891  42.377  18.629  74.761  20.145  -32.38376      27.43861 
1 1 1 7   12 16 o 64.753   17.834  40.579     20.805  27.770     30.025  52.411     28.856  58.287  21.841  72.727  21.334  -14.44012      30.53140 
1 1 1 7   12 17 o 45.776   17.344  15.345     19.051  16.154     28.080  14.655     25.933  51.411  20.593  49.466  19.799  1.945271       28.56669 
1 1 1 7   12 18 o 182.838  13.171  305.959    41.766  289.169    68.195  316.036    52.834  169.464 23.695  183.341 16.687  -13.87654      28.98087 
1 1 1 7   12 19 o 72.700   21.638  53.227     29.507  0.0000     0.0000  53.227     29.507  ?       ?       72.700  21.638  0.000000       21.63847 
1 1 1 7   12 20 o 96.412   20.103  92.690     32.745  0.0000     0.0000  92.690     32.745  ?       ?       96.412  20.103  0.000000       20.10258 
1 1 1 7   12 21 o 116.585  19.875  134.633    39.009  0.0000     0.0000  134.633    39.009  ?       ?       116.585 19.875  0.000000       19.87537 
1 1 1 7   12 22 o 256.546  13.723  608.988    61.250  605.068    106.895 610.904    74.735  239.173 26.016  253.181 17.004  -14.00798      31.08037 
1 1 1 7   12 23 o 97.382   17.673  93.081     28.944  46.934     49.938  116.424    35.518  70.373  27.695  107.906 19.572  -37.53262      33.91281 
1 1 1 7   12 24 o 49.581   18.842  19.771     22.527  41.487     44.871  12.454     26.047  66.868  26.272  47.549  19.541  19.31829       32.74245 
1 1 1 7   12 25 o 43.063   17.817  8.8534     21.847  23.454     39.814  2.5630     26.133  58.139  24.052  43.169  18.725  14.96986       30.48176 
1 1 1 7   12 26 o 89.790   17.878  80.786     27.044  96.075     52.747  75.334     31.499  89.092  29.296  84.410  21.355  4.682549       36.25362 
1 1 1 7   12 27 o 82.244   19.884  70.529     28.240  42.225     49.579  84.123     34.359  66.633  27.122  88.259  22.290  -21.62640      35.10593 
1 1 1 7   12 28 o 29.830   14.211  -21.9895   20.429  -17.0442   44.051  -23.3445   23.059  47.415  22.041  31.883  15.164  15.53207       26.75332 
1 1 1 7   12 29 f 107.585  17.051  115.792    30.962  119.316    59.325  114.474    36.297  94.519  31.069  103.919 20.731  -9.400162      37.35025 
1 1 1 7   12 30 o 66.298   22.155  48.272     30.126  6.9045     47.495  76.117     38.968  53.907  24.214  80.226  25.065  -26.31965      34.85125 
1 1 1 7   12 31 o 61.184   19.469  39.811     23.411  61.179     29.802  5.3757     37.832  73.921  21.680  49.191  21.887  24.73041       30.80720 
1 1 1 7   12 32 o 60.896   19.653  39.927     23.791  28.634     29.872  59.514     39.341  54.793  21.464  70.249  25.215  -15.45651      33.11323 
1 1 1 7   12 33 o 44.758   17.283  17.006     19.153  -1.5015    26.454  37.392     27.764  40.375  18.108  58.764  21.173  -18.38905      27.86053 
1 1 1 7   12 34 o 75.248   18.079  60.775     23.457  68.394     32.556  52.550     33.827  75.708  22.773  66.254  23.423  9.453735       32.66937 
1 1 1 7   12 35 o 143.095  12.908  198.511    31.905  170.114    43.687  230.965    46.704  122.995 21.102  147.039 18.607  -24.04384      28.13433 
1 1 1 7   12 36 o 26.319   12.363  -11.6120   14.470  -9.9696    18.940  -13.9145   22.425  31.298  14.516  32.968  15.456  -1.669851      21.20346 
1 1 1 7   12 37 o 56.162   17.074  34.277     18.230  43.846     24.399  22.187     27.426  61.502  19.909  49.212  20.117  12.29017       28.30297 
1 1 1 7   12 38 o 96.069   14.424  94.020     23.448  101.682    33.114  86.314     33.206  92.957  20.908  83.493  22.339  9.463699       30.59740 
1 1 1 7   12 39 o 43.805   16.417  18.760     16.966  25.132     22.713  10.718     25.517  48.964  18.845  42.836  18.541  6.127869       26.43687 
1 1 1 7   12 40 o 54.146   17.276  33.040     18.423  40.122     24.758  24.255     27.577  57.525  20.062  48.921  20.105  8.603825       28.40244 
1 1 1 7   12 41 o 53.622   19.346  34.297     23.189  -15.4262   41.975  56.138     27.820  41.970  20.097  65.853  21.252  -23.88287      29.24956 
1 1 1 7   12 42 o 54.785   19.894  37.467     24.579  106.318    51.449  17.106     27.978  75.559  28.532  45.014  19.450  30.54487       34.53101 
1 1 1 7   12 43 o 37.289   16.585  4.8166     21.705  -9.3847    48.099  8.4480     24.322  43.809  21.115  39.945  17.672  3.863644       27.53410 
1 1 1 7   12 44 o 34.960   15.033  6.7184     16.553  -23.7247   23.214  38.208     23.610  29.591  14.360  54.195  19.525  -24.60448      24.23693 
1 1 1 7   12 45 o 53.810   17.542  35.897     18.927  28.142     26.472  44.006     27.071  47.674  19.658  55.665  20.762  -7.991226      28.59186 
1 1 1 7   13 0  o 137.540  10.678  171.262    25.442  149.865    29.082  241.051    52.522  127.377 13.271  157.271 19.548  -29.89396      23.62682 
1 1 1 7   13 1  o 93.992   11.358  80.920     18.263  71.539     20.329  120.165    41.581  87.344  13.787  108.345 22.706  -21.00079      26.56394 
1 1 1 7   13 2  o 106.705  13.013  105.448    23.744  105.448    23.744  0.0000     0.0000  106.705 13.013  ?       ?       0.000000       13.01346 
1 1 1 7   13 3  o 128.078  16.369  156.071    35.769  156.071    35.769  0.0000     0.0000  128.078 16.369  ?       ?       0.000000       16.36878 
1 1 1 7   13 4  o 166.433  12.502  254.079    36.065  254.079    36.065  0.0000     0.0000  166.433 12.502  ?       ?       0.000000       12.50177 
1 1 1 7   13 5  o 170.455  12.572  266.821    37.154  266.821    37.154  0.0000     0.0000  170.455 12.572  ?       ?       0.000000       12.57230 
1 1 1 7   13 6  o 122.254  13.274  138.792    27.880  126.624    33.003  169.115    52.100  114.589 17.011  126.955 24.389  -12.36637      29.73569 
1 1 1 7   13 7  o 77.472   16.505  58.579     21.643  47.013     24.882  94.523     43.864  68.271  19.749  92.889  26.011  -24.61794      32.65922 
1 1 1 7   13 8  o 213.133  12.686  418.133    46.995  337.746    56.936  589.973    83.245  187.052 17.641  244.851 19.636  -57.79897      26.39686 
1 1 1 7   13 9  o 81.113   16.510  64.316     22.588  71.931     34.737  58.737     29.733  82.275  23.186  75.190  21.542  7.085228       31.64863 
1 1 1 7   13 10 o 80.535   16.133  63.261     21.896  51.050     32.835  73.038     29.382  70.054  23.118  84.430  20.201  -14.37589      30.70104 
1 1 1 7   13 11 o 143.359  13.098  191.319    32.425  153.962    52.920  213.774    41.029  117.943 26.360  149.415 15.974  -31.47225      30.82263 
1 1 1 7   13 12 f 78.347   15.052  59.421     19.843  51.109     26.713  69.651     29.637  70.252  20.504  81.809  20.724  -11.55714      29.15306 
1 1 1 7   13 13 o 57.812   16.573  33.090     17.593  33.920     23.318  31.994     26.806  58.552  19.490  57.902  20.810  0.6494064      28.51179 
1 1 1 7   13 14 o 94.054   13.130  83.523     20.975  50.448     28.455  122.881    31.041  69.223  21.385  112.289 16.309  -43.06621      26.89421 
1 1 1 7   13 15 o 93.215   16.066  85.192     25.205  56.054     42.978  100.466    31.118  71.515  26.255  99.672  18.563  -28.15755      32.15426 
1 1 1 7   13 16 o 130.074  13.945  160.781    31.177  106.245    53.261  189.209    38.454  92.440  29.361  139.398 16.095  -46.95721      33.48294 
1 1 1 7   13 17 o 43.083   17.183  12.519     19.461  17.014     31.651  9.7859     24.677  51.455  21.379  44.785  18.765  6.669682       28.44626 
1 1 1 7   13 18 o 95.379   15.096  88.839     24.304  95.486     28.642  71.745     45.929  97.260  17.510  77.268  27.296  19.99194       32.42952 
1 1 1 7   13 19 o 91.361   16.356  83.393     25.134  85.601     29.128  76.958     49.727  90.648  19.010  78.497  28.328  12.15131       34.11545 
1 1 1 7   13 20 f 119.026  11.914  133.093    24.427  122.541    33.654  144.844    35.512  109.248 18.289  119.619 17.522  -10.37104      25.32811 
1 1 1 7   13 21 f 119.932  11.881  135.412    24.553  101.244    33.285  176.198    36.365  97.112  20.284  133.290 15.942  -36.17815      25.79852 
1 1 1 7   13 22 o 84.662   14.097  70.284     20.107  61.113     26.624  82.458     30.674  74.817  19.997  86.804  20.556  -11.98757      28.67765 
1 1 1 7   13 23 o 56.730   16.684  33.353     17.628  35.221     22.358  30.285     28.657  57.622  19.080  55.198  21.186  2.423740       28.51122 
1 1 1 7   13 24 o 86.163   14.687  74.016     21.304  64.673     26.952  89.576     34.781  76.423  19.975  87.830  22.561  -11.40739      30.13265 
1 1 1 7   13 25 o 60.974   18.322  40.253     21.080  20.582     28.197  65.176     31.739  49.794  20.382  74.094  22.531  -24.29958      30.38153 
1 1 1 7   13 26 o 69.147   19.648  53.724     24.838  38.560     32.334  75.553     38.793  58.740  22.514  76.529  25.122  -17.78902      33.73440 
1 1 1 7   13 27 o 50.556   19.450  25.383     24.188  44.291     31.075  -3.6792    38.526  61.278  22.351  45.336  20.912  15.94234       30.60836 
1 1 1 7   13 28 o 99.730   17.719  106.624    29.724  116.564    37.157  88.959     49.535  99.429  21.987  77.055  28.202  22.37375       35.75958 
1 1 1 7   13 29 f 29.037   14.002  -24.2699   21.214  -25.6129   27.113  -22.1496   34.067  33.291  15.997  38.378  18.302  -5.087116      24.30774 
1 1 1 7   13 30 o 133.725  13.938  179.694    32.066  174.352    45.786  184.837    44.922  119.933 22.695  125.766 21.211  -5.833061      31.06453 
1 1 1 7   13 31 o 96.874   15.610  98.511     25.507  120.820    36.742  77.757     35.439  100.020 21.665  76.062  23.926  23.95789       32.27750 
1 1 1 7   13 32 o 117.574  14.144  141.352    28.455  153.087    41.553  130.990    39.046  111.683 22.091  102.521 22.435  9.162369       31.48598 
1 1 1 7   13 33 o 67.689   17.344  51.935     20.592  36.074     27.484  72.235     31.092  54.452  20.784  74.225  22.239  -19.77271      30.43938 
1 1 1 7   13 34 o 56.575   18.173  37.852     20.360  75.670     26.783  -13.9142   31.335  79.338  19.477  37.436  17.767  41.90247       26.36360 
1 1 1 7   13 35 o 39.893   16.295  13.532     17.976  40.119     23.997  -20.4592   27.134  56.417  19.747  33.329  16.012  23.08803       25.42266 
1 1 1 7   13 36 o 47.015   17.271  25.127     18.602  5.8882     24.445  51.595     28.672  38.996  17.454  60.961  21.564  -21.96487      27.74225 
1 1 1 7   13 37 o 47.738   17.680  26.873     19.563  32.217     24.668  17.816     32.115  50.490  19.581  45.118  20.114  5.372044       28.07067 
1 1 1 7   13 38 o 30.357   14.539  -15.8571   21.987  -40.6587   35.357  -0.2190    28.076  33.408  16.515  37.924  17.618  -4.515602      24.14793 
1 1 1 7   14 0  o 62.373   17.458  40.373     19.764  40.373     19.764  0.0000     0.0000  62.373  17.458  ?       ?       0.000000       17.45775 
1 1 1 7   14 1  o 100.617  14.153  98.406     24.177  98.406     24.177  0.0000     0.0000  100.617 14.153  ?       ?       0.000000       14.15255 
1 1 1 7   14 2  o 46.502   15.393  20.918     14.553  20.918     14.553  0.0000     0.0000  46.502  15.393  ?       ?       0.000000       15.39284 
1 1 1 7   14 3  o 66.970   18.901  47.906     23.067  25.155     29.097  86.390     37.843  53.164  21.071  85.587  24.229  -32.42216      32.10920 
1 1 1 7   14 4  o 124.818  16.705  157.052    35.493  139.244    47.412  179.756    53.535  108.045 25.535  123.165 25.723  -15.11990      36.24580 
1 1 1 7   14 5  f 118.294  16.732  141.554    33.595  107.620    44.540  186.339    51.168  93.197  26.251  127.705 23.823  -34.50732      35.44954 
1 1 1 7   14 6  o 126.122  12.461  151.448    27.083  120.226    31.653  236.754    52.321  108.264 17.329  147.952 20.830  -39.68879      27.09571 
1 1 1 7   14 7  o 81.130   15.379  66.250     20.989  60.650     24.488  81.753     40.743  75.180  18.725  80.836  25.681  -5.655609      31.78223 
1 1 1 7   14 8  o 69.931   13.963  48.531     16.453  53.244     18.009  24.745     40.457  72.907  14.655  55.525  23.678  17.38182       27.84654 
1 1 1 7   14 9  o 70.840   17.202  52.798     21.064  58.395     24.811  38.349     39.863  73.119  19.191  60.167  24.382  12.95243       31.02875 
1 1 1 7   14 10 o 88.297   14.164  77.198     21.099  72.881     27.449  83.432     32.985  81.499  19.542  84.922  22.050  -3.423630      29.46323 
1 1 1 7   14 11 o 109.141  16.023  121.202    29.625  92.373     52.156  134.933    35.996  80.100  28.995  112.115 19.070  -32.01476      34.70473 
1 1 1 7   14 12 o 144.637  14.369  206.898    35.808  184.441    62.360  217.945    43.737  113.574 30.709  144.265 17.737  -30.69077      35.46325 
1 1 1 7   14 13 o 68.490   19.498  52.673     24.437  -14.9925   42.499  86.097     29.869  44.754  21.074  87.833  19.933  -43.07946      29.00761 
1 1 1 7   14 14 o 55.362   16.812  32.622     17.681  27.341     23.005  40.242     27.636  51.531  19.155  59.343  21.151  -7.811947      28.53585 
1 1 1 7   14 15 o 37.952   15.337  9.8804     15.727  -0.1725    18.882  32.656     28.421  35.007  15.525  54.932  21.095  -19.92493      26.19179 
1 1 1 7   14 16 o 24.754   11.742  -13.3319   13.654  -14.8966   16.858  -10.3483   23.279  27.662  13.101  34.594  16.062  -6.931473      20.72671 
1 1 1 7   14 17 o 62.606   16.933  42.603     18.957  31.080     24.342  60.360     30.218  53.325  19.728  69.923  22.106  -16.59768      29.62837 
1 1 1 7   14 18 o 51.529   19.022  28.625     22.607  29.971     35.083  27.669     29.564  53.771  22.439  51.916  21.012  1.854630       30.74096 
1 1 1 7   14 19 o 101.720  12.953  102.660    22.483  78.305     30.297  132.514    33.543  80.484  21.247  109.950 18.102  -29.46648      27.91233 
1 1 1 7   14 20 o 34.235   14.556  4.9932     15.207  3.3211     19.775  7.4130     23.788  36.645  16.083  40.714  17.760  -4.068996      23.96048 
1 1 1 7   14 21 o 56.511   16.391  35.153     17.119  35.063     22.634  35.274     26.168  54.935  19.180  54.708  20.411  0.2270927      28.00896 
1 1 1 7   14 22 o 96.686   15.839  99.630     25.814  86.149     29.515  143.498    53.241  84.847  20.211  93.783  29.298  -8.935738      35.59302 
1 1 1 7   14 23 o 54.403   18.211  34.438     20.354  38.501     22.701  17.779     45.965  56.623  19.230  50.177  23.033  6.446030       30.00580 
1 1 1 7   14 24 o 27.737   12.968  -9.3842    15.600  -9.2735    16.418  -10.4123   50.043  28.547  13.332  45.248  21.740  -16.70113      25.50183 
1 1 1 7   14 25 o 40.167   16.822  12.488     19.816  12.488     19.816  0.0000     0.0000  40.167  16.822  ?       ?       0.000000       16.82181 
1 1 1 7   14 26 o 81.762   16.806  75.504     23.190  64.256     27.492  103.248    43.177  69.998  20.899  79.229  26.524  -9.231842      33.76760 
1 1 1 7   14 27 o 44.887   16.254  22.223     16.393  14.173     21.851  32.585     24.791  41.272  17.494  51.099  19.682  -9.827030      26.33266 
1 1 1 7   14 28 o 149.065  12.301  225.910    31.731  199.346    44.086  254.461    45.705  125.074 20.926  146.779 18.226  -21.70483      27.75064 
1 1 1 7   14 29 o 28.508   13.072  -3.9351    14.750  3.5579     18.277  -17.9303   24.978  34.294  15.238  31.863  15.321  2.430902       21.60874 
1 1 1 7   14 30 f 38.370   16.413  11.632     19.547  8.7867     26.265  15.164     29.264  39.698  17.903  42.700  19.106  -3.002766      26.18300 
1 1 1 7   15 0  o 74.504   20.296  66.966     27.120  75.930     38.166  57.824     38.543  72.922  24.934  64.029  24.571  8.893135       35.00659 
1 1 1 7   15 1  o 106.777  15.758  120.604    28.496  108.837    34.711  144.930    49.906  94.309  21.550  98.515  27.801  -4.205269      35.17513 
1 1 1 7   15 2  o 95.403   15.275  95.707     24.587  73.594     29.035  151.756    46.224  77.207  20.987  105.659 25.375  -28.45226      32.92908 
1 1 1 7   15 3  o 51.107   17.765  29.290     19.407  37.861     22.726  6.2011     37.299  56.479  19.241  45.445  20.820  11.03438       28.34905 
1 1 1 7   15 4  o 66.268   17.440  49.856     20.454  37.376     23.725  85.982     40.365  55.814  19.629  75.871  25.644  -20.05653      32.29403 
1 1 1 7   15 5  o 51.575   17.564  30.118     18.936  23.930     21.833  48.909     38.045  47.516  18.423  59.348  23.900  -11.83264      30.17647 
1 1 1 7   15 6  o 43.155   17.971  15.687     22.436  14.457     30.291  17.182     33.393  45.258  19.884  47.071  20.771  -1.813610      28.75415 
1 1 1 7   15 7  o 66.196   20.331  55.077     25.762  41.529     34.049  73.216     39.398  56.189  22.617  69.141  25.175  -12.95233      33.84175 
1 1 1 7   15 8  o 49.279   19.717  27.139     25.712  -3.7535    34.609  65.192     38.411  41.279  19.304  65.456  24.669  -24.17626      31.32396 
1 1 1 7   15 9  o 43.633   18.878  14.590     26.430  -22.5411   41.063  40.853     34.534  39.971  19.325  55.357  22.595  -15.38597      29.73229 
1 1 1 7   15 10 o 38.291   16.010  10.672     17.909  3.9919     21.001  28.482     34.291  36.831  16.351  50.307  21.634  -13.47544      27.11837 
1 1 1 7   15 11 o 77.677   18.239  71.183     24.316  55.928     28.672  110.251    45.886  64.014  21.613  80.444  27.341  -16.42989      34.85157 
1 1 1 7   15 12 o 45.779   17.352  23.140     19.074  16.226     21.694  46.687     40.033  42.374  17.661  56.105  23.724  -13.73035      29.57601 
1 1 1 7   15 13 o 61.758   17.934  46.135     20.483  34.500     23.488  83.082     41.855  52.378  19.378  69.575  25.843  -17.19720      32.30100 
1 1 1 7   15 14 o 58.073   18.418  42.001     20.964  29.093     24.436  77.990     40.803  48.963  19.340  67.307  25.411  -18.34411      31.93376 
1 1 1 7   15 15 o 45.401   17.617  23.353     19.978  10.307     22.918  64.633     40.767  39.605  17.350  61.150  24.700  -21.54539      30.18493 
1 1 1 7   15 16 o 49.543   18.022  30.243     20.183  18.559     23.005  69.306     42.063  43.043  18.081  61.852  25.052  -18.80884      30.89550 
1 1 1 7   15 17 o 36.841   15.552  10.341     17.155  5.6740     19.005  30.879     39.867  35.500  15.667  49.060  22.098  -13.56010      27.08813 
1 1 1 7   15 18 o 35.197   15.766  4.1010     19.985  4.1010     19.985  0.0000     0.0000  35.197  15.766  ?       ?       0.000000       15.76588 
1 1 1 8   0  0  o 129.483  14.203  152.010    31.128  152.010    31.128  152.010    31.128  129.483 14.203  129.483 14.203  0.000000       0.000000 
1 1 1 8   0  1  o 386.561  19.211  1321.51    128.936 1321.51    128.936 1321.51    128.936 386.561 19.211  386.561 19.211  0.000000       0.000000 
1 1 1 8   0  2  o 26.424   14.332  8.6158     9.2884  8.6158     9.2884  8.6158     9.2884  26.424  14.332  26.424  14.332  0.000000       0.000000 
1 1 1 8   0  3  o 323.627  17.451  926.538    97.958  926.538    97.958  926.538    97.958  323.627 17.451  323.627 17.451  0.000000       0.000000 
1 1 1 8   0  4  o 226.558  15.303  455.801    59.904  455.801    59.904  455.801    59.904  226.558 15.303  226.558 15.303  0.000000       0.000000 
1 1 1 8   0  5  o 373.253  18.836  1232.11    122.049 1232.11    122.049 1232.11    122.049 373.253 18.836  373.253 18.836  0.000000       0.000000 
1 1 1 8   0  6  o 575.080  25.054  2931.22    250.491 2931.22    250.491 2931.22    250.491 575.080 25.054  575.080 25.054  0.000000       0.000000 
1 1 1 8   0  7  o 470.077  21.681  1955.18    177.096 1955.18    177.096 1955.18    177.096 470.077 21.681  470.077 21.681  0.000000       0.000000 
1 1 1 8   0  8  o 375.039  18.895  1243.87    123.018 1243.87    123.018 1243.87    123.018 375.039 18.895  375.039 18.895  0.000000       0.000000 
1 1 1 8   0  9  o 86.056   15.753  70.988     21.326  70.988     21.326  70.988     21.326  86.056  15.753  86.056  15.753  0.000000       0.000000 
1 1 1 8   0  10 o 333.168  17.717  981.705    102.398 981.705    102.398 981.705    102.398 333.168 17.717  333.168 17.717  0.000000       0.000000 
1 1 1 8   0  11 o 377.925  18.681  1262.31    122.588 1262.31    122.588 1262.31    122.588 377.925 18.681  377.925 18.681  0.000000       0.000000 
1 1 1 8   0  12 o 251.541  22.813  569.881    98.303  569.881    98.303  569.881    98.303  251.541 22.813  251.541 22.813  0.000000       0.000000 
1 1 1 8   0  13 o 575.561  36.087  2978.00    359.396 2978.00    359.396 2978.00    359.396 575.561 36.087  575.561 36.087  0.000000       0.000000 
1 1 1 8   0  14 o 121.474  22.037  141.557    42.180  141.557    42.180  141.557    42.180  121.474 22.037  121.474 22.037  0.000000       0.000000 
1 1 1 8   0  15 o 180.680  21.370  298.392    64.937  298.392    64.937  298.392    64.937  180.680 21.370  180.680 21.370  0.000000       0.000000 
1 1 1 8   0  16 o 219.219  21.989  434.586    82.225  434.586    82.225  434.586    82.225  219.219 21.989  219.219 21.989  0.000000       0.000000 
1 1 1 8   0  17 o 123.051  13.758  137.366    28.613  137.366    28.613  137.366    28.613  123.051 13.758  123.051 13.758  0.000000       0.000000 
1 1 1 8   0  18 o 285.398  16.319  720.276    80.716  720.276    80.716  720.276    80.716  285.398 16.319  285.398 16.319  0.000000       0.000000 
1 1 1 8   0  19 o 211.474  14.660  396.978    53.535  396.978    53.535  396.978    53.535  211.474 14.660  211.474 14.660  0.000000       0.000000 
1 1 1 8   0  20 o 208.150  14.639  384.729    52.602  384.729    52.602  384.729    52.602  208.150 14.639  208.150 14.639  0.000000       0.000000 
1 1 1 8   0  21 o 692.402  28.395  4243.67    341.982 4243.67    341.982 4243.67    341.982 692.402 28.395  692.402 28.395  0.000000       0.000000 
1 1 1 8   0  22 o ?        ?       -13.1556   3.3427  -13.1556   3.3427  -13.1556   3.3427  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 8   0  23 o 619.727  26.227  3395.81    282.648 3395.81    282.648 3395.81    282.648 619.727 26.227  619.727 26.227  0.000000       0.000000 
1 1 1 8   0  24 o 52.115   22.800  34.146     21.614  34.146     21.614  34.146     21.614  52.115  22.800  52.115  22.800  0.000000       0.000000 
1 1 1 8   0  25 o 218.520  15.444  424.158    58.252  424.158    58.252  424.158    58.252  218.520 15.444  218.520 15.444  0.000000       0.000000 
1 1 1 8   0  26 o 39.876   23.326  16.458     27.135  16.458     27.135  16.458     27.135  39.876  23.326  39.876  23.326  0.000000       0.000000 
1 1 1 8   0  27 o 186.610  24.071  320.670    74.842  320.670    74.842  320.670    74.842  186.610 24.071  186.610 24.071  0.000000       0.000000 
1 1 1 8   0  28 o 32.586   21.310  -3.8903    29.928  -3.8903    29.928  -3.8903    29.928  32.586  21.310  32.586  21.310  0.000000       0.000000 
1 1 1 8   0  29 f 360.742  27.247  1165.08    169.375 1165.08    169.375 1165.08    169.375 360.742 27.247  360.742 27.247  0.000000       0.000000 
1 1 1 8   0  30 f 288.150  17.007  734.923    84.887  734.923    84.887  734.923    84.887  288.150 17.007  288.150 17.007  0.000000       0.000000 
1 1 1 8   0  31 o 34.600   20.992  9.6902     23.539  9.6902     23.539  9.6902     23.539  34.600  20.992  34.600  20.992  0.000000       0.000000 
1 1 1 8   0  32 o 389.789  19.341  1342.51    130.894 1342.51    130.894 1342.51    130.894 389.789 19.341  389.789 19.341  0.000000       0.000000 
1 1 1 8   0  33 o 116.551  19.134  128.264    35.785  128.264    35.785  128.264    35.785  116.551 19.134  116.551 19.134  0.000000       0.000000 
1 1 1 8   0  34 o 121.948  18.330  138.858    36.429  138.858    36.429  138.858    36.429  121.948 18.330  121.948 18.330  0.000000       0.000000 
1 1 1 8   0  35 o 90.071   23.760  84.461     32.284  84.461     32.284  84.461     32.284  90.071  23.760  90.071  23.760  0.000000       0.000000 
1 1 1 8   0  36 o 532.403  23.578  2509.68    218.202 2509.68    218.202 2509.68    218.202 532.403 23.578  532.403 23.578  0.000000       0.000000 
1 1 1 8   0  37 o 218.341  16.400  424.926    61.712  424.926    61.712  424.926    61.712  218.341 16.400  218.341 16.400  0.000000       0.000000 
1 1 1 8   0  38 o 19.402   13.894  -34.6690   21.846  -34.6690   21.846  -34.6690   21.846  19.402  13.894  19.402  13.894  0.000000       0.000000 
1 1 1 8   0  39 o 292.422  25.362  771.432    127.254 771.432    127.254 771.432    127.254 292.422 25.362  292.422 25.362  0.000000       0.000000 
1 1 1 8   0  40 o 23.429   16.891  -63.0163   34.796  -63.0163   34.796  -63.0163   34.796  23.429  16.891  23.429  16.891  0.000000       0.000000 
1 1 1 8   0  41 o 493.435  32.907  2199.17    280.623 2199.17    280.623 2199.17    280.623 493.435 32.907  493.435 32.907  0.000000       0.000000 
1 1 1 8   0  42 o 26.235   18.635  -49.0268   36.395  -49.0268   36.395  -49.0268   36.395  26.235  18.635  26.235  18.635  0.000000       0.000000 
1 1 1 8   0  43 o 464.285  21.991  1915.56    177.365 1915.56    177.365 1915.56    177.365 464.285 21.991  464.285 21.991  0.000000       0.000000 
1 1 1 8   0  44 o ?        ?       -417.0212  21.269  -417.0212  21.269  -417.0212  21.269  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 8   0  45 o 206.759  18.600  385.663    65.898  385.663    65.898  385.663    65.898  206.759 18.600  206.759 18.600  0.000000       0.000000 
1 1 1 8   0  46 o 300.890  18.707  807.876    97.412  807.876    97.412  807.876    97.412  300.890 18.707  300.890 18.707  0.000000       0.000000 
1 1 1 8   0  47 o 50.265   29.692  26.440     44.741  26.440     44.741  26.440     44.741  50.265  29.692  50.265  29.692  0.000000       0.000000 
1 1 1 8   0  48 o 319.080  26.538  930.435    145.499 930.435    145.499 930.435    145.499 319.080 26.538  319.080 26.538  0.000000       0.000000 
1 1 1 8   0  49 o 117.323  33.243  150.040    58.986  150.040    58.986  150.040    58.986  117.323 33.243  117.323 33.243  0.000000       0.000000 
1 1 1 8   0  50 o 36.774   24.841  -19.5207   46.611  -19.5207   46.611  -19.5207   46.611  36.774  24.841  36.774  24.841  0.000000       0.000000 
1 1 1 8   0  51 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 8   0  52 o 45.062   28.779  7.6146     50.443  7.6146     50.443  7.6146     50.443  45.062  28.779  45.062  28.779  0.000000       0.000000 
1 1 1 8   0  53 o 319.044  19.194  921.259    106.038 921.259    106.038 921.259    106.038 319.044 19.194  319.044 19.194  0.000000       0.000000 
1 1 1 8   0  54 o 81.275   29.736  80.398     38.930  80.398     38.930  80.398     38.930  81.275  29.736  81.275  29.736  0.000000       0.000000 
1 1 1 8   0  55 o 57.871   28.837  46.250     35.397  46.250     35.397  46.250     35.397  57.871  28.837  57.871  28.837  0.000000       0.000000 
1 1 1 8   0  56 o 50.279   27.403  34.312     34.109  34.312     34.109  34.312     34.109  50.279  27.403  50.279  27.403  0.000000       0.000000 
1 1 1 8   0  57 o 110.111  23.929  125.067    40.323  125.067    40.323  125.067    40.323  110.111 23.929  110.111 23.929  0.000000       0.000000 
1 1 1 8   0  58 o 101.726  26.886  113.589    41.258  113.589    41.258  113.589    41.258  101.726 26.886  101.726 26.886  0.000000       0.000000 
1 1 1 8   0  59 o 77.648   29.887  77.879     38.378  77.879     38.378  77.879     38.378  77.648  29.887  77.648  29.887  0.000000       0.000000 
1 1 1 8   0  60 o 34.877   22.543  3.6727     32.151  3.6727     32.151  3.6727     32.151  34.877  22.543  34.877  22.543  0.000000       0.000000 
1 1 1 8   0  61 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 8   0  62 o 99.281   35.800  132.933    56.866  132.933    56.866  132.933    56.866  99.281  35.800  99.281  35.800  0.000000       0.000000 
1 1 1 8   0  63 o 36.072   23.895  -0.3685    39.547  -0.3685    39.547  -0.3685    39.547  36.072  23.895  36.072  23.895  0.000000       0.000000 
1 1 1 8   0  64 o 36.629   23.139  11.571     31.587  11.571     31.587  11.571     31.587  36.629  23.139  36.629  23.139  0.000000       0.000000 
1 1 1 8   0  65 f 53.003   28.362  45.092     35.921  45.092     35.921  45.092     35.921  53.003  28.362  53.003  28.362  0.000000       0.000000 
1 1 1 8   0  66 o 81.440   30.651  92.483     40.770  92.483     40.770  92.483     40.770  81.440  30.651  81.440  30.651  0.000000       0.000000 
1 1 1 8   0  67 o 150.863  18.727  229.027    47.284  229.027    47.284  229.027    47.284  150.863 18.727  150.863 18.727  0.000000       0.000000 
1 1 1 8   0  68 o 69.852   28.449  71.690     34.087  71.690     34.087  71.690     34.087  69.852  28.449  69.852  28.449  0.000000       0.000000 
1 1 1 8   0  69 o 38.451   23.248  21.753     28.675  21.753     28.675  21.753     28.675  38.451  23.248  38.451  23.248  0.000000       0.000000 
1 1 1 8   1  0  o 262.824  15.832  610.373    72.317  686.478    102.318 534.406    102.226 277.496 21.279  243.819 24.337  33.67735       32.32804 
1 1 1 8   1  1  o 264.562  12.950  614.599    59.824  598.048    73.278  647.677    103.592 260.060 16.218  269.215 22.237  -9.154724      27.52274 
1 1 1 8   1  2  o 99.654   11.114  88.140     19.009  73.324     23.239  118.093    33.043  90.054  15.328  114.516 17.045  -24.46205      22.92364 
1 1 1 8   1  3  o 305.661  13.694  821.027    73.086  790.088    89.494  882.976    126.637 298.798 17.227  314.250 23.244  -15.45154      28.93180 
1 1 1 8   1  4  o 527.795  16.499  2455.39    152.053 2435.19    215.030 2475.59    215.039 523.043 23.545  527.448 23.349  -4.404358      33.15966 
1 1 1 8   1  5  o 371.881  12.940  1214.55    84.023  1120.04    118.808 1309.13    118.845 355.356 19.219  385.105 17.674  -29.74936      26.11046 
1 1 1 8   1  6  o 207.760  10.190  378.236    36.967  383.004    52.129  373.413    52.431  208.191 14.429  205.506 14.709  2.685089       20.60484 
1 1 1 8   1  7  o 299.443  11.582  786.566    60.556  796.229    85.550  776.863    85.730  300.127 16.387  296.388 16.633  3.738770       23.34916 
1 1 1 8   1  8  o 168.710  9.7149  250.146    28.497  233.867    40.047  266.846    40.561  162.473 14.261  173.757 13.474  -11.28416      19.61950 
1 1 1 8   1  9  o 206.811  10.338  374.814    37.332  365.527    52.680  384.182    52.911  203.281 14.947  208.487 14.627  -5.206268      20.91309 
1 1 1 8   1  10 o 291.065  13.430  744.304    68.254  763.685    83.628  705.637    118.122 293.942 16.359  280.402 24.368  13.53928       29.35003 
1 1 1 8   1  11 o 532.993  19.018  2511.39    176.987 2531.34    216.803 2471.53    306.441 533.456 23.276  520.781 33.884  12.67487       41.10853 
1 1 1 8   1  12 o 75.529   12.282  51.334     15.640  41.771     19.610  68.052     25.928  67.526  16.720  86.271  17.803  -18.74419      24.42365 
1 1 1 8   1  13 o 203.819  11.351  365.388    40.236  409.767    49.498  278.941    69.084  215.608 13.212  175.740 23.071  39.86790       26.58607 
1 1 1 8   1  14 o 233.817  15.254  482.998    61.933  508.710    87.683  457.400    87.491  238.691 21.261  225.934 22.476  12.75653       30.93889 
1 1 1 8   1  15 o 520.927  18.331  2395.06    166.734 2476.74    288.659 2354.16    204.254 523.237 31.746  514.969 22.716  8.267944       39.03570 
1 1 1 8   1  16 o 48.826   12.673  21.697     10.898  18.013     17.770  23.918     13.798  48.263  16.986  51.530  14.645  -3.266808      22.42782 
1 1 1 8   1  17 o 170.878  11.218  256.982    33.283  247.245    57.004  262.018    40.997  166.115 20.059  172.208 13.749  -6.092484      24.31907 
1 1 1 8   1  18 f 183.098  9.8756  294.369    31.456  284.219    44.250  304.738    44.724  179.343 14.248  185.796 13.887  -6.453476      19.89608 
1 1 1 8   1  19 o 604.284  16.816  3213.83    177.430 3326.15    250.963 3101.58    250.885 612.422 23.469  591.052 24.310  21.37000       33.79028 
1 1 1 8   1  20 o ?        ?       -28.9653   3.1640  -28.4167   3.2993  -35.2466   11.164  ?       ?       16.651  8.3853  0.000000       8.385339 
1 1 1 8   1  21 o 215.534  10.044  406.719    37.801  474.063    53.990  341.962    52.943  232.060 13.381  196.643 15.546  35.41714       20.51189 
1 1 1 8   1  22 o 86.606   10.435  66.625     15.462  61.009     22.756  71.441     21.073  81.843  16.494  89.159  13.998  -7.315620      21.63295 
1 1 1 8   1  23 o 324.574  12.090  923.497    68.520  939.060    97.348  908.215    96.462  326.185 17.152  320.741 17.288  5.444366       24.35335 
1 1 1 8   1  24 o 218.841  9.5620  419.183    36.537  542.997    53.067  307.583    50.381  248.871 12.212  186.421 15.622  62.45026       19.82864 
1 1 1 8   1  25 o 217.998  12.364  418.012    46.869  501.511    83.780  379.977    56.544  237.435 20.407  207.313 15.738  30.12238       25.77065 
1 1 1 8   1  26 o 549.115  23.757  2675.22    227.778 2897.92    322.528 2453.62    321.726 566.603 32.740  519.610 35.677  46.99323       48.42258 
1 1 1 8   1  27 o 381.063  18.268  1280.15    121.549 1529.85    172.705 1035.06    171.100 414.470 23.967  338.950 29.195  75.51996       37.77234 
1 1 1 8   1  28 o 291.135  16.702  748.585    84.548  822.588    120.765 677.443    118.407 303.735 22.940  274.935 24.936  28.80023       33.88335 
1 1 1 8   1  29 o 284.756  13.547  711.937    67.356  746.687    82.981  644.822    115.322 290.789 16.410  268.118 24.919  22.67081       29.83677 
1 1 1 8   1  30 o 249.063  11.461  543.841    49.842  541.484    71.021  546.127    69.965  247.427 16.534  248.553 16.210  -1.125336      23.15494 
1 1 1 8   1  31 o 338.804  12.466  1007.28    73.748  1125.94    104.740 890.619    103.856 357.465 16.781  317.004 18.848  40.46149       25.23587 
1 1 1 8   1  32 o 372.750  13.214  1220.24    86.003  1273.84    122.060 1167.38    121.199 379.795 18.406  362.911 19.195  16.88434       26.59366 
1 1 1 8   1  33 o 259.981  11.421  592.808    51.847  665.385    73.918  522.522    72.742  274.483 15.486  242.773 17.273  31.70943       23.19867 
1 1 1 8   1  34 o 196.982  11.157  341.384    38.216  362.238    54.800  321.640    53.321  202.196 15.644  190.355 16.196  11.84143       22.51767 
1 1 1 8   1  35 o 218.509  11.230  419.952    42.703  426.556    61.017  413.612    59.784  219.389 16.040  216.032 15.962  3.356659       22.62878 
1 1 1 8   1  36 o 333.591  12.738  977.889    74.195  970.506    105.211 985.192    104.646 330.708 18.291  333.279 18.050  -2.570129      25.69760 
1 1 1 8   1  37 o 152.189  11.779  204.592    31.057  202.844    43.965  206.334    43.878  150.585 17.020  151.932 16.822  -1.346802      23.93037 
1 1 1 8   1  38 o 211.669  16.341  398.083    59.927  417.770    84.107  377.784    85.407  215.171 22.731  203.974 24.469  11.19771       33.39751 
1 1 1 8   1  39 o 183.030  16.943  298.860    53.534  321.467    74.640  274.910    76.824  188.199 23.205  172.886 26.276  15.31268       35.05632 
1 1 1 8   1  40 o 368.336  19.290  1209.77    123.631 1151.22    174.322 1269.02    175.365 355.015 28.358  373.552 27.070  -18.53772      39.20430 
1 1 1 8   1  41 o 257.309  17.390  589.972    77.669  601.008    108.917 578.555    110.788 257.177 24.553  251.885 25.543  5.292297       35.43061 
1 1 1 8   1  42 o ?        ?       -226.0391  19.002  -224.4128  22.597  -229.9664  35.115  ?       ?       ?       ?       0.000000       ?        
1 1 1 8   1  43 o 453.900  18.016  1835.17    142.784 1733.51    174.920 2038.17    247.179 437.904 22.957  469.052 30.343  -31.14725      38.04906 
1 1 1 8   1  44 o ?        ?       -253.0874  14.799  -264.3874  17.937  -228.9949  26.191  ?       ?       ?       ?       0.000000       ?        
1 1 1 8   1  45 o 240.025  14.316  512.395    59.725  479.723    101.002 529.962    74.061  227.552 25.881  243.005 17.573  -15.45351      31.28340 
1 1 1 8   1  46 o 148.819  13.077  197.511    33.636  148.236    45.646  256.058    49.756  126.378 21.453  168.424 17.159  -42.04672      27.47096 
1 1 1 8   1  47 o 137.482  13.177  169.090    31.244  147.549    42.946  193.313    45.540  126.288 20.153  145.550 18.325  -19.26189      27.23915 
1 1 1 8   1  48 o 51.279   18.711  19.822     21.780  17.973     29.443  22.057     32.367  54.663  21.338  58.275  22.477  -3.611511      30.99232 
1 1 1 8   1  49 o 178.847  12.026  285.134    37.338  270.944    51.818  300.458    53.848  172.367 17.458  181.715 17.175  -9.347107      24.49015 
1 1 1 8   1  50 o 198.082  17.095  357.924    58.546  240.342    78.615  504.339    87.726  155.088 30.117  232.361 21.880  -77.27319      37.22582 
1 1 1 8   1  51 o 99.748   24.280  97.761     41.889  64.536     54.861  144.209    64.867  83.599  29.800  118.221 31.031  -34.62164      43.02342 
1 1 1 8   1  52 o 157.902  18.537  232.644    50.135  160.039    65.648  334.250    77.660  123.963 30.531  185.449 24.590  -61.48650      39.20206 
1 1 1 8   1  53 o 41.339   18.989  -18.4881   31.315  0.0000     0.0000  -18.4881   31.315  ?       ?       41.339  18.989  0.000000       18.98939 
1 1 1 8   1  54 o 318.268  15.513  929.065    86.211  1099.14    147.712 841.203    106.170 331.960 25.684  296.916 20.606  35.04346       32.92840 
1 1 1 8   1  55 o 221.779  12.409  446.277    47.858  441.418    66.291  451.567    69.165  216.418 17.698  218.344 18.311  -1.925949      25.46560 
1 1 1 8   1  56 o 107.105  15.224  107.978    27.669  118.861    37.934  95.607     40.447  109.395 20.616  95.762  24.184  13.63361       31.77839 
1 1 1 8   1  57 f 83.367   17.663  68.287     24.912  91.127     34.321  42.853     36.218  94.499  21.309  66.634  24.156  27.86458       32.21169 
1 1 1 8   1  58 o 121.100  14.206  138.075    29.467  145.029    40.585  130.322    42.853  120.089 20.063  111.644 22.755  8.444794       30.33671 
1 1 1 8   1  59 o 60.089   19.057  36.267     22.445  34.929     28.768  38.350     35.881  59.926  21.556  63.033  23.822  -3.107609      32.12695 
1 1 1 8   1  60 o 53.764   19.042  27.660     22.365  41.140     30.163  11.198     33.333  63.025  22.134  50.069  21.425  12.95659       30.80514 
1 1 1 8   1  61 o 61.409   21.711  39.555     29.063  44.654     44.956  35.894     38.094  65.395  26.105  60.830  24.109  4.565189       35.53464 
1 1 1 8   1  62 o 59.977   22.423  37.821     31.613  -22.6591   45.504  94.246     43.952  45.930  21.682  86.994  26.527  -41.06391      34.26068 
1 1 1 8   1  63 f 60.909   26.245  35.246     50.663  35.246     50.663  0.0000     0.0000  60.909  26.245  ?       ?       0.000000       26.24542 
1 1 1 8   1  64 o 49.619   19.715  22.309     25.532  16.565     31.894  32.560     42.602  49.234  21.010  57.719  24.444  -8.485428      32.23218 
1 1 1 8   1  65 o 38.193   17.274  -2.5087    24.656  7.2659     40.583  -8.2278    31.042  48.744  22.093  40.308  18.655  8.436604       28.91599 
1 1 1 8   1  66 f 47.414   19.553  19.675     26.192  45.064     42.759  4.4275     33.137  59.919  24.869  44.413  20.062  15.50526       31.95219 
1 1 1 8   1  67 o 43.416   17.881  15.600     21.870  -3.5393    28.886  41.305     33.476  39.481  18.174  57.407  22.649  -17.92628      29.03878 
1 1 1 8   1  68 o 55.239   18.724  36.249     21.520  23.323     30.831  48.529     30.051  48.613  20.699  60.419  21.988  -11.80544      30.19813 
1 1 1 8   2  0  o 213.772  11.310  401.800    42.064  329.472    51.276  550.649    73.558  192.899 15.351  249.363 16.995  -56.46376      22.90175 
1 1 1 8   2  1  f 467.228  17.088  1924.84    139.404 1873.82    170.674 2027.09    241.628 459.754 21.261  474.125 29.331  -14.37125      36.22622 
1 1 1 8   2  2  o 174.175  11.464  267.182    34.669  263.513    42.262  274.732    60.624  172.575 14.150  175.061 20.204  -2.485245      24.66630 
1 1 1 8   2  3  o 81.839   14.750  60.682     20.301  53.038     27.939  69.232     29.549  76.117  20.544  86.765  19.925  -10.64782      28.61930 
1 1 1 8   2  4  o 215.707  14.967  411.263    56.024  397.366    78.859  425.425    79.606  210.570 21.762  218.097 21.171  -7.526215      30.36106 
1 1 1 8   2  5  o 154.672  12.967  211.518    34.696  271.148    49.459  153.740    48.685  174.676 16.408  129.859 22.273  44.81755       27.66454 
1 1 1 8   2  6  o 299.848  16.744  794.909    87.316  794.909    87.316  0.0000     0.0000  299.848 16.744  ?       ?       0.000000       16.74430 
1 1 1 8   2  7  o 342.562  17.869  1038.45    106.512 1038.45    106.512 0.0000     0.0000  342.562 17.869  ?       ?       0.000000       17.86913 
1 1 1 8   2  8  o 196.617  14.642  341.818    49.906  341.818    49.906  0.0000     0.0000  196.617 14.642  ?       ?       0.000000       14.64165 
1 1 1 8   2  9  o 299.850  16.856  794.985    87.895  794.985    87.895  0.0000     0.0000  299.850 16.856  ?       ?       0.000000       16.85623 
1 1 1 8   2  10 o 131.029  11.175  151.604    25.322  134.373    31.032  185.947    43.809  122.745 14.776  144.117 17.787  -21.37202      23.12349 
1 1 1 8   2  11 o 126.474  11.020  141.267    24.093  152.678    29.587  118.810    41.508  131.227 13.087  113.955 21.653  17.27179       25.30044 
1 1 1 8   2  12 o 301.677  11.379  797.935    59.940  805.911    84.847  789.988    84.690  302.113 16.143  299.076 16.279  3.037079       22.92586 
1 1 1 8   2  13 o 576.644  16.662  2928.96    167.760 3020.57    237.289 2837.41    237.209 583.127 23.305  564.855 24.051  18.27142       33.48990 
1 1 1 8   2  14 o 204.775  11.734  368.855    41.780  399.045    72.120  353.605    51.258  211.621 19.746  200.036 14.780  11.58534       24.66489 
1 1 1 8   2  15 o 192.936  11.592  327.464    38.870  352.672    67.130  314.749    47.675  198.910 19.582  188.715 14.582  10.19482       24.41506 
1 1 1 8   2  16 o 92.193   11.303  75.588     17.815  75.149     30.409  75.818     21.982  90.537  19.789  91.868  14.158  -1.331497      24.33204 
1 1 1 8   2  17 o 338.532  13.976  1006.17    82.612  1012.73    142.850 1002.87    101.263 336.858 24.454  337.051 17.265  -0.1925049     29.93395 
1 1 1 8   2  18 o 160.590  11.199  227.036    31.204  288.947    57.345  200.993    37.193  180.135 18.495  150.627 14.314  29.50879       23.38644 
1 1 1 8   2  19 o 288.478  11.024  729.021    55.529  731.681    78.585  726.369    78.474  288.084 15.682  287.028 15.718  1.056061       22.20289 
1 1 1 8   2  20 o 267.687  10.624  627.557    49.659  645.417    70.111  609.577    70.345  270.657 14.893  262.930 15.390  7.727081       21.41595 
1 1 1 8   2  21 o 291.835  12.363  746.706    62.997  669.515    108.473 785.993    77.386  274.026 22.880  299.138 14.816  -25.11160      27.25813 
1 1 1 8   2  22 o 435.148  14.817  1663.28    112.578 1754.96    194.837 1617.34    137.934 443.727 25.252  428.378 18.441  15.34906       31.26850 
1 1 1 8   2  23 o 96.027   9.6791  81.529     16.008  99.762     23.789  66.443     21.639  105.838 13.157  85.739  15.001  20.09845       19.95318 
1 1 1 8   2  24 o 309.816  12.458  841.679    67.392  1044.47    117.953 743.398    82.114  343.440 19.753  290.273 16.267  53.16745       25.58864 
1 1 1 8   2  25 o 180.559  12.644  287.319    39.610  340.500    69.037  261.222    48.361  195.262 20.558  171.557 16.342  23.70473       26.26194 
1 1 1 8   2  26 o 518.034  23.050  2379.52    208.490 2483.71    295.239 2275.88    294.461 524.424 32.401  501.164 33.848  23.26031       46.85667 
1 1 1 8   2  27 o 363.828  18.664  1170.76    118.168 1203.53    167.659 1138.40    166.575 366.576 26.370  356.260 26.978  10.31595       37.72545 
1 1 1 8   2  28 o 104.525  13.475  97.482     24.021  102.303    29.923  88.746     40.281  106.558 16.625  98.045  23.775  8.512711       29.01106 
1 1 1 8   2  29 o 343.147  14.840  1035.25    88.916  992.363    109.064 1120.25    153.544 334.765 18.734  353.855 25.012  -19.09042      31.25003 
1 1 1 8   2  30 o 258.689  11.446  586.762    51.699  606.722    73.749  567.476    72.493  261.999 16.201  253.296 16.481  8.703049       23.10993 
1 1 1 8   2  31 o 98.200   12.462  85.970     20.887  94.193     30.558  78.760     28.616  101.880 17.828  92.880  18.296  8.999641       25.54514 
1 1 1 8   2  32 o 99.136   12.370  87.583     20.947  107.389    30.593  70.103     28.741  109.181 16.568  87.361  19.351  21.82034       25.47486 
1 1 1 8   2  33 o 208.928  10.968  383.815    39.871  430.379    57.215  339.857    55.591  220.631 14.940  195.665 16.423  24.96625       22.20208 
1 1 1 8   2  34 o 190.704  10.989  320.023    36.436  344.971    52.085  296.114    50.990  197.332 15.234  182.561 16.163  14.77040       22.21107 
1 1 1 8   2  35 o 208.597  11.102  382.824    40.290  392.003    57.400  373.910    56.568  210.284 15.747  205.315 15.903  4.968826       22.38059 
1 1 1 8   2  36 o 31.615   14.023  -5.4152    15.413  6.6130     22.178  -16.6527   21.436  44.397  18.113  33.879  15.617  10.51747       23.91611 
1 1 1 8   2  37 o 315.424  12.379  874.508    68.178  834.477    96.523  914.367    96.314  306.430 18.121  321.072 17.243  -14.64206      25.01367 
1 1 1 8   2  38 o 234.507  16.638  488.687    67.685  437.194    95.063  541.631    96.394  219.193 25.303  245.134 22.781  -25.94148      34.04769 
1 1 1 8   2  39 o 186.244  24.278  316.447    77.074  316.447    77.074  0.0000     0.0000  186.244 24.278  ?       ?       0.000000       24.27799 
1 1 1 8   2  40 o 185.959  17.178  309.116    55.145  287.229    77.138  331.995    78.866  176.642 25.768  190.670 24.236  -14.02809      35.37538 
1 1 1 8   2  41 f 185.048  14.710  304.471    47.136  305.757    57.423  301.817    82.529  184.606 18.046  180.482 27.019  4.123718       32.49145 
1 1 1 8   2  42 o 411.945  14.450  1500.53    103.935 1341.96    147.042 1658.86    146.932 385.843 21.916  430.884 19.530  -45.04105      29.35505 
1 1 1 8   2  43 o 159.332  14.148  226.282    38.951  291.980    53.660  153.111    56.630  180.322 17.253  127.409 26.326  52.91385       31.47609 
1 1 1 8   2  44 o 28.612   13.874  -35.8334   21.560  -86.8011   37.609  -10.8841   26.313  33.943  16.824  40.386  18.090  -6.443062      24.70458 
1 1 1 8   2  45 o 166.881  12.139  247.250    35.130  282.812    50.137  212.953    49.238  177.387 16.372  152.976 18.831  24.41098       24.95341 
1 1 1 8   2  46 o 202.079  11.939  362.214    41.940  350.772    59.049  373.865    59.581  197.147 17.330  203.735 16.901  -6.588165      24.20669 
1 1 1 8   2  47 o 71.936   17.957  48.394     22.486  44.573     32.111  52.071     31.497  70.356  22.845  74.779  22.379  -4.423294      31.97949 
1 1 1 8   2  48 f 358.280  13.602  1143.74    85.090  1031.95    119.886 1257.22    120.789 335.458 20.567  372.398 18.576  -36.93991      27.71414 
1 1 1 8   2  49 o 119.325  16.127  130.431    32.741  109.636    38.608  183.683    61.783  107.400 21.340  137.167 26.757  -29.76633      34.22449 
1 1 1 8   2  50 o 88.772   23.224  76.685     36.411  28.452     48.374  139.730    55.305  67.667  27.056  118.416 27.306  -50.74885      38.43991 
1 1 1 8   2  51 o 170.335  17.736  268.388    51.976  147.258    69.057  426.674    78.941  118.093 32.477  212.478 21.577  -94.38525      38.99164 
1 1 1 8   2  52 o 61.372   20.601  34.182     26.048  6.9740     40.192  53.885     34.203  55.335  23.599  74.624  23.510  -19.28888      33.31115 
1 1 1 8   2  53 o 65.092   20.438  40.350     25.873  20.277     40.827  53.820     33.446  60.080  24.551  74.125  23.232  -14.04511      33.80038 
1 1 1 8   2  54 o 135.308  15.425  170.212    35.792  209.297    59.680  148.257    44.728  144.038 24.614  122.675 21.674  21.36339       32.79636 
1 1 1 8   2  55 f 172.754  14.500  276.038    43.334  300.189    73.249  263.035    53.748  171.124 25.275  165.423 18.950  5.701279       31.59033 
1 1 1 8   2  56 o 57.134   18.638  31.075     21.365  36.003     27.883  24.067     33.251  61.562  21.300  57.008  22.547  4.554012       31.01698 
1 1 1 8   2  57 o 116.923  13.885  128.074    27.793  119.520    37.400  138.624    41.535  108.820 20.434  116.855 21.135  -8.035141      29.39747 
1 1 1 8   2  58 o 192.593  11.908  341.224    39.848  276.521    54.921  413.149    57.905  166.698 19.221  207.740 16.089  -41.04248      25.06610 
1 1 1 8   2  59 o 159.392  12.344  236.318    34.088  212.741    46.452  263.831    50.179  145.652 18.697  163.179 17.906  -17.52705      25.88791 
1 1 1 8   2  60 o 29.296   14.193  -31.4745   22.436  -54.7729   35.785  -16.3848   28.799  35.228  17.255  38.236  17.790  -3.007290      24.78281 
1 1 1 8   2  61 o 71.082   21.886  56.370     29.832  55.848     47.591  56.708     38.287  69.244  27.101  69.892  24.897  -0.6480484     36.80156 
1 1 1 8   2  62 o 53.090   21.927  23.122     33.006  -7.3851    43.315  65.360     50.967  47.837  22.104  71.463  28.025  -23.62635      35.69263 
1 1 1 8   2  63 o 37.750   16.925  -2.0686    23.089  -2.0686    23.089  0.0000     0.0000  37.750  16.925  ?       ?       0.000000       16.92508 
1 1 1 8   2  64 o 46.712   18.604  18.975     22.786  25.179     25.424  -6.3626    51.378  50.792  19.828  49.696  23.329  1.095177       30.61674 
1 1 1 8   2  65 o 73.038   18.823  60.035     24.156  52.640     29.597  74.787     41.804  65.539  21.960  73.092  26.018  -7.552864      34.04644 
1 1 1 8   2  66 o 76.091   20.584  69.445     28.011  69.583     37.226  69.266     42.527  70.897  24.607  68.776  25.948  2.121178       35.76020 
1 1 1 8   2  67 o 73.483   20.646  66.747     27.586  68.590     37.420  64.553     40.829  68.783  24.602  65.634  25.264  3.149521       35.26369 
1 1 1 8   2  68 o 38.462   17.615  -0.3393    26.670  -22.4324   31.243  59.008     51.206  35.419  17.058  59.889  26.093  -24.47013      31.17388 
1 1 1 8   3  0  o 279.062  13.074  683.589    63.704  694.760    78.072  661.337    110.194 280.509 16.006  271.905 23.439  8.605011       28.38300 
1 1 1 8   3  1  o 272.862  13.017  653.536    62.017  674.107    75.997  612.531    107.297 276.328 15.817  261.509 23.758  14.81949       28.54115 
1 1 1 8   3  2  o 423.654  20.241  1587.57    149.730 1587.57    149.730 0.0000     0.0000  423.654 20.241  ?       ?       0.000000       20.24112 
1 1 1 8   3  3  o 199.154  14.311  350.313    49.433  350.313    49.433  0.0000     0.0000  199.154 14.311  ?       ?       0.000000       14.31098 
1 1 1 8   3  4  o 380.341  18.401  1276.76    122.202 1276.76    122.202 0.0000     0.0000  380.341 18.401  ?       ?       0.000000       18.40107 
1 1 1 8   3  5  o 372.144  15.240  1218.16    99.027  1218.83    121.323 1216.83    171.406 371.070 18.786  368.156 26.850  2.913635       32.76922 
1 1 1 8   3  6  f 230.141  12.422  466.028    49.734  435.910    60.958  525.992    86.011  222.010 15.829  243.000 20.462  -20.99045      25.86972 
1 1 1 8   3  7  o 149.188  9.7528  195.731    25.266  202.747    35.481  188.513    35.987  151.349 13.570  145.779 14.323  5.569855       19.73068 
1 1 1 8   3  8  f 301.396  13.452  797.631    70.794  867.934    122.532 762.404    86.736  311.984 22.648  293.689 16.987  18.29459       28.31016 
1 1 1 8   3  9  o 225.281  12.024  446.329    47.125  449.216    81.384  444.873    57.801  224.349 21.021  224.486 14.830  -0.1368713     25.72524 
1 1 1 8   3  10 o 219.915  12.039  425.354    46.052  449.070    79.817  413.519    56.384  224.436 20.597  216.379 15.017  8.056763       25.49027 
1 1 1 8   3  11 o 549.539  16.562  2658.18    158.919 2640.18    224.720 2676.18    224.770 545.392 23.598  549.157 23.441  -3.765625      33.26170 
1 1 1 8   3  12 o 429.042  16.116  1619.34    120.735 1653.19    147.954 1551.86    208.880 432.724 19.582  415.578 28.967  17.14621       34.96490 
1 1 1 8   3  13 o 272.544  16.248  655.670    76.970  675.092    109.763 636.879    107.964 275.064 23.067  267.032 23.391  8.032013       32.85170 
1 1 1 8   3  14 o 287.702  23.893  739.110    118.943 0.0000     0.0000  739.110    118.943 ?       ?       287.702 23.893  0.000000       23.89344 
1 1 1 8   3  15 o 253.528  14.179  566.053    62.517  0.0000     0.0000  566.053    62.517  ?       ?       253.528 14.179  0.000000       14.17926 
1 1 1 8   3  16 o 242.212  12.310  515.660    51.892  489.875    89.391  528.766    63.729  234.286 22.113  244.887 14.976  -10.60001      26.70735 
1 1 1 8   3  17 o 424.470  15.772  1583.88    116.893 1494.52    202.193 1628.74    143.260 408.214 28.547  429.753 19.092  -21.53842      34.34253 
1 1 1 8   3  18 o 410.165  13.270  1475.91    95.035  1532.63    134.438 1419.26    134.362 417.026 18.463  401.157 19.182  15.86868       26.62386 
1 1 1 8   3  19 o 643.039  17.923  3642.20    201.237 3924.44    284.664 3360.25    284.520 664.933 24.518  614.426 26.520  50.50696       36.11767 
1 1 1 8   3  20 o 182.113  9.8839  291.179    31.311  335.582    44.932  249.260    43.658  195.136 13.266  167.779 15.063  27.35669       20.07198 
1 1 1 8   3  21 o 254.135  12.683  566.392    56.278  597.197    98.748  551.573    68.489  258.881 22.056  249.997 15.771  8.884293       27.11439 
1 1 1 8   3  22 f 476.738  21.976  2011.42    182.936 1870.06    258.813 2152.54    258.608 454.855 32.808  489.295 30.420  -34.44019      44.74078 
1 1 1 8   3  23 o 752.148  24.877  5027.13    326.708 5559.80    566.114 4761.13    400.050 777.672 41.845  728.161 31.465  49.51068       52.35505 
1 1 1 8   3  24 o 285.213  13.415  713.944    66.808  701.278    115.960 720.237    81.736  280.097 23.940  285.625 16.459  -5.528107      29.05210 
1 1 1 8   3  25 o 416.822  16.392  1529.09    119.302 1527.30    206.636 1529.99    146.114 412.176 28.894  416.102 20.111  -3.926056      35.20420 
1 1 1 8   3  26 o 648.880  22.230  3732.07    251.864 3652.70    308.370 3891.10    436.522 639.330 27.624  651.825 38.525  -12.49585      47.40541 
1 1 1 8   3  27 o 199.260  12.206  349.570    42.262  267.280    50.733  536.138    76.390  173.370 16.977  245.925 17.913  -72.55457      24.67994 
1 1 1 8   3  28 f 153.245  12.424  207.395    32.957  202.961    39.619  217.356    59.378  151.152 15.219  154.950 22.613  -3.798111      27.25707 
1 1 1 8   3  29 o 194.987  10.820  334.257    36.693  312.062    51.101  357.880    52.720  187.633 15.743  201.134 15.122  -13.50110      21.82965 
1 1 1 8   3  30 o 150.529  10.745  199.618    28.056  161.676    38.900  240.749    40.502  134.379 16.956  164.881 14.207  -30.50237      22.12134 
1 1 1 8   3  31 o 221.426  12.634  431.899    48.646  412.781    59.410  470.796    84.740  215.890 15.871  229.374 21.406  -13.48380      26.64791 
1 1 1 8   3  32 f 456.616  14.813  1835.35    118.104 1732.48    166.773 1938.84    167.276 441.585 21.630  467.561 20.490  -25.97583      29.79364 
1 1 1 8   3  33 o 269.699  12.870  639.166    60.608  449.555    103.076 739.361    74.929  222.226 27.128  289.382 14.880  -67.15546      30.94036 
1 1 1 8   3  34 o 95.177   12.156  80.835     19.740  61.046     27.105  103.182    28.805  81.395  19.355  107.032 15.896  -25.63710      25.04580 
1 1 1 8   3  35 o 492.463  15.512  2139.29    133.383 2167.63    188.548 2110.91    188.716 493.202 21.894  486.562 22.213  6.639893       31.18955 
1 1 1 8   3  36 o 268.807  11.526  634.649    54.097  671.430    76.355  597.580    76.654  275.285 15.954  259.386 17.019  15.89917       23.32751 
1 1 1 8   3  37 o 236.891  24.267  508.574    98.957  0.0000     0.0000  508.574    98.957  ?       ?       236.891 24.267  0.000000       24.26666 
1 1 1 8   3  38 o 327.105  26.526  973.345    150.197 0.0000     0.0000  973.345    150.197 ?       ?       327.105 26.526  0.000000       26.52586 
1 1 1 8   3  39 o 315.851  18.282  889.638    100.397 925.450    142.126 853.971    141.839 318.940 25.741  305.766 26.839  13.17340       37.18710 
1 1 1 8   3  40 o ?        ?       -363.8925  13.779  -588.0457  24.323  -257.9666  16.721  ?       ?       ?       ?       0.000000       ?        
1 1 1 8   3  41 o 443.196  14.699  1738.17    113.748 1625.04    160.379 1852.68    161.353 424.678 21.701  454.790 20.319  -30.11209      29.72858 
1 1 1 8   3  42 o ?        ?       -248.8420  8.5626  -252.0094  11.210  -244.4058  13.267  ?       ?       ?       ?       0.000000       ?        
1 1 1 8   3  43 o 28.082   13.335  -21.6689   17.696  -16.5180   22.468  -30.0854   28.720  34.830  16.031  36.848  17.343  -2.017349      23.61743 
1 1 1 8   3  44 o 312.842  12.516  865.398    68.369  852.123    95.958  879.086    97.436  307.913 17.926  312.767 17.916  -4.853729      25.34409 
1 1 1 8   3  45 o 183.610  11.367  298.855    36.264  292.056    50.440  306.128    52.173  180.099 16.214  184.363 16.378  -4.263504      23.04602 
1 1 1 8   3  46 o 96.723   13.959  84.885     22.893  98.482     31.085  68.770     33.841  103.208 17.898  85.077  22.453  18.13142       28.71405 
1 1 1 8   3  47 f 59.447   19.450  31.296     23.260  38.137     39.888  27.771     28.632  69.029  25.301  59.289  21.480  9.740425       33.18906 
1 1 1 8   3  48 o 60.776   18.851  33.806     22.085  42.263     25.660  9.6381     43.378  67.309  20.212  58.890  24.787  8.418831       31.98300 
1 1 1 8   3  49 o 102.684  26.897  105.181    48.801  0.0000     0.0000  105.181    48.801  ?       ?       102.684 26.897  0.000000       26.89740 
1 1 1 8   3  50 o 34.649   15.791  -11.8862   21.096  -3.4330    25.456  -30.4214   37.694  41.764  18.291  43.304  20.216  -1.539673      27.26253 
1 1 1 8   3  51 o 281.962  13.652  717.543    67.210  648.575    113.617 754.668    83.360  256.809 25.682  286.404 16.742  -29.59525      30.65726 
1 1 1 8   3  52 o 61.969   19.766  36.118     24.120  19.067     33.906  53.585     34.318  56.255  22.595  74.012  23.575  -17.75716      32.65432 
1 1 1 8   3  53 o 232.920  11.539  487.969    46.928  515.128    64.878  458.170    67.961  235.827 15.848  220.727 17.784  15.10056       23.82105 
1 1 1 8   3  54 o 49.286   17.583  20.648     19.102  3.2702     24.493  47.623     30.516  43.071  18.397  69.345  22.246  -26.27417      28.86716 
1 1 1 8   3  55 o 85.213   16.292  69.982     23.358  67.086     29.939  74.485     37.338  81.226  20.967  84.106  24.153  -2.880417      31.98397 
1 1 1 8   3  56 o 121.219  13.332  136.855    27.752  143.092    36.635  128.457    42.511  121.132 17.857  111.241 22.656  9.890244       28.84712 
1 1 1 8   3  57 o 55.803   18.086  30.363     20.131  49.417     26.086  2.3025     31.656  69.211  20.279  46.610  20.406  22.60131       28.76873 
1 1 1 8   3  58 o 88.460   15.669  76.518     23.317  64.942     30.558  92.651     36.074  77.819  21.682  92.629  22.522  -14.81005      31.26263 
1 1 1 8   3  59 o 68.816   20.845  50.809     27.205  63.944     44.676  43.068     34.298  73.931  26.825  63.984  23.459  9.946808       35.63555 
1 1 1 8   3  60 o 70.868   20.803  54.972     27.427  103.993    45.557  27.103     34.350  91.967  26.757  55.840  22.632  36.12728       35.04494 
1 1 1 8   3  61 o 53.237   19.906  27.828     24.916  43.538     41.961  19.273     30.965  63.089  25.208  50.844  21.138  12.24504       32.89747 
1 1 1 8   3  62 o 48.144   18.745  20.788     22.676  15.065     25.285  44.313     51.261  46.217  19.148  63.106  26.774  -16.88935      32.91627 
1 1 1 8   3  63 o 80.935   19.556  73.129     27.329  82.952     31.005  38.924     57.859  84.881  21.028  61.059  27.122  23.82230       34.31908 
1 1 1 8   3  64 o 48.063   19.933  19.546     27.442  22.305     32.187  12.203     52.513  50.578  21.324  52.908  24.408  -2.329990      32.41084 
1 1 1 8   3  65 o 38.994   17.684  -0.8980    26.040  3.8745     30.542  -13.6032   49.832  42.833  19.312  46.286  22.090  -3.452995      29.34201 
1 1 1 8   3  66 o 53.945   21.659  34.600     31.141  41.425     51.493  30.665     39.102  57.062  25.451  53.057  22.959  4.004925       34.27656 
1 1 1 8   3  67 o 40.782   18.620  2.7047     29.496  4.5823     48.229  1.5827     37.281  47.187  22.290  43.470  20.230  3.717445       30.10167 
1 1 1 8   4  0  o 314.954  11.629  869.272    63.954  767.837    90.320  971.266    90.569  294.781 17.629  332.422 15.604  -37.64133      23.54241 
1 1 1 8   4  1  o 452.009  13.953  1793.40    110.127 1785.17    155.692 1801.64    155.793 449.736 19.826  451.824 19.748  -2.088867      27.98319 
1 1 1 8   4  2  o 324.546  13.299  924.115    75.364  849.847    92.134  1074.29    131.013 310.280 17.072  347.863 21.677  -37.58350      27.59270 
1 1 1 8   4  3  o 157.275  10.639  217.616    29.045  189.719    35.219  276.929    51.354  146.363 13.950  176.616 16.857  -30.25351      21.88076 
1 1 1 8   4  4  o 119.445  10.660  125.937    21.998  109.194    26.530  162.778    39.354  110.660 14.047  134.950 17.084  -24.28941      22.11733 
1 1 1 8   4  5  o 524.591  15.867  2419.38    145.341 2255.25    205.483 2583.70    205.603 504.451 23.329  540.452 21.788  -36.00067      31.92085 
1 1 1 8   4  6  o 290.185  11.145  737.680    56.468  666.485    79.738  809.306    79.979  274.749 16.701  303.515 15.091  -28.76654      22.50920 
1 1 1 8   4  7  o 389.953  13.074  1333.82    89.020  1184.23    125.799 1483.87    125.989 365.819 19.768  410.527 17.576  -44.70728      26.45186 
1 1 1 8   4  8  o 205.384  13.145  371.504    46.892  243.028    65.484  506.720    67.179  164.011 23.541  239.529 16.157  -75.51772      28.55248 
1 1 1 8   4  9  o 282.418  12.570  699.338    61.986  546.921    106.894 776.558    76.085  246.959 25.140  297.372 14.653  -50.41354      29.09873 
1 1 1 8   4  10 o 258.894  10.625  586.968    48.029  581.169    67.820  592.803    68.028  256.759 15.195  259.342 15.088  -2.582977      21.41359 
1 1 1 8   4  11 o 276.986  11.008  672.020    53.240  628.334    75.099  716.162    75.489  266.841 16.195  285.113 15.219  -18.27191      22.22351 
1 1 1 8   4  12 o 357.999  12.324  1123.54    77.036  1212.30    109.023 1035.03    108.869 371.212 16.820  342.289 18.282  28.92255       24.84256 
1 1 1 8   4  13 o 181.583  11.561  290.063    36.464  284.699    63.146  292.747    44.663  178.402 20.653  182.080 14.160  -3.678650      25.04105 
1 1 1 8   4  14 o 294.527  13.435  761.038    69.091  728.199    119.598 777.487    84.644  285.569 24.214  296.898 16.391  -11.32874      29.23987 
1 1 1 8   4  15 o 274.864  13.230  662.743    63.493  670.474    110.073 658.888    77.728  274.173 23.211  273.240 16.367  0.9328308      28.40116 
1 1 1 8   4  16 o 333.233  14.197  974.828    82.607  989.567    143.068 967.458    101.177 332.999 24.783  331.034 17.567  1.964996       30.37801 
1 1 1 8   4  17 o 638.658  27.102  3633.46    302.230 3796.10    427.497 3470.93    427.339 645.563 38.094  615.935 39.951  29.62762       55.20186 
1 1 1 8   4  18 o 281.499  16.409  699.322    80.302  607.333    113.471 791.615    113.658 260.280 25.287  298.340 21.973  -38.06003      33.49997 
1 1 1 8   4  19 o 523.647  23.179  2430.37    211.929 2312.05    299.510 2549.00    299.915 505.294 34.148  531.556 32.469  -26.26163      47.12032 
1 1 1 8   4  20 f 193.086  14.536  329.286    48.646  273.467    67.356  390.146    70.332  174.306 22.668  209.386 19.460  -35.08047      29.87484 
1 1 1 8   4  21 o 492.382  17.204  2134.97    147.910 2408.53    256.188 1998.19    181.151 518.417 28.410  475.100 21.837  43.31729       35.83281 
1 1 1 8   4  22 o 144.540  11.643  184.307    29.136  175.547    50.270  188.738    35.754  139.314 21.346  145.912 14.214  -6.597656      25.64528 
1 1 1 8   4  23 o 221.961  12.485  433.526    48.192  399.054    82.444  451.418    59.396  210.962 22.741  226.100 15.133  -15.13834      27.31595 
1 1 1 8   4  24 o 383.147  13.307  1288.80    89.023  1211.95    125.635 1366.30    126.163 369.868 19.523  393.511 18.362  -23.64240      26.80096 
1 1 1 8   4  25 o 373.241  15.065  1225.19    98.181  1140.02    119.991 1397.72    170.786 358.715 19.227  395.439 24.861  -36.72394      31.42895 
1 1 1 8   4  26 o 193.519  12.196  329.856    40.999  308.783    49.927  373.491    71.842  186.698 15.454  204.446 20.397  -17.74823      25.59079 
1 1 1 8   4  27 o 236.800  12.752  493.693    52.532  474.704    64.219  532.096    91.328  231.631 15.976  244.000 21.662  -12.36929      26.91572 
1 1 1 8   4  28 o 334.519  12.526  982.407    73.163  955.198    103.125 1009.98    103.813 328.395 18.054  337.810 17.662  -9.415100      25.25628 
1 1 1 8   4  29 o 161.207  10.513  228.764    29.431  199.399    41.124  259.594    42.138  149.597 15.992  171.222 14.223  -21.62529      21.40180 
1 1 1 8   4  30 o 384.634  13.431  1300.53    90.200  1222.68    127.292 1379.04    127.834 370.976 19.722  394.848 18.542  -23.87228      27.06963 
1 1 1 8   4  31 o 232.812  11.019  475.492    44.791  434.952    62.730  517.660    63.977  221.445 16.339  241.923 15.223  -20.47754      22.33178 
1 1 1 8   4  32 o 181.113  10.828  288.787    34.087  281.631    46.976  296.744    49.538  178.112 15.252  182.779 15.674  -4.666931      21.86983 
1 1 1 8   4  33 o 241.277  10.928  510.884    46.037  427.026    63.507  603.754    66.833  219.215 16.718  261.341 14.706  -42.12653      22.26529 
1 1 1 8   4  34 f 24.337   11.636  -19.1773   13.955  -32.3908   16.621  12.389     25.690  24.050  11.775  50.050  19.811  -25.99996      23.04594 
1 1 1 8   4  35 o 328.410  14.201  950.796    81.431  841.695    98.716  1183.14    144.057 307.441 18.475  362.905 22.851  -55.46362      29.38513 
1 1 1 8   4  36 o 70.342   28.358  22.644     53.625  0.0000     0.0000  22.644     53.625  ?       ?       70.342  28.358  0.000000       28.35827 
1 1 1 8   4  37 o 297.406  25.769  805.462    132.493 805.462    132.493 0.0000     0.0000  297.406 25.769  ?       ?       0.000000       25.76875 
1 1 1 8   4  38 o 35.864   17.165  -41.6160   30.539  58.520     35.698  -314.9158  58.975  79.936  23.802  ?       ?       0.000000       23.80250 
1 1 1 8   4  39 o 455.689  14.531  1836.82    115.615 1761.57    162.168 1914.60    164.874 443.150 20.958  462.307 20.425  -19.15717      29.26460 
1 1 1 8   4  40 o ?        ?       -387.7696  14.246  -379.7115  15.273  -441.7614  39.533  ?       ?       ?       ?       0.000000       ?        
1 1 1 8   4  41 o 126.422  14.648  143.525    31.736  162.494    41.720  117.476    48.890  133.633 18.366  111.274 25.684  22.35903       31.57474 
1 1 1 8   4  42 o 311.492  14.049  860.487    76.411  765.579    92.283  1067.44    136.274 291.755 18.206  341.845 22.964  -50.08951      29.30554 
1 1 1 8   4  43 o 229.694  13.183  469.113    52.652  424.675    63.062  571.381    95.667  217.289 16.751  249.626 22.180  -32.33719      27.79437 
1 1 1 8   4  44 o 233.016  11.155  479.789    45.386  454.996    63.015  506.514    65.423  224.907 16.154  237.475 15.869  -12.56743      22.64485 
1 1 1 8   4  45 o 171.589  11.566  261.927    34.450  289.654    47.371  230.801    50.191  179.275 15.279  158.721 18.455  20.55334       23.95918 
1 1 1 8   4  46 o 123.373  12.572  136.761    26.704  123.339    36.443  152.324    39.240  115.109 18.780  128.483 17.984  -13.37377      26.00204 
1 1 1 8   4  47 o 118.819  14.289  128.351    29.051  126.097    35.676  132.788    50.051  116.390 18.147  116.416 25.342  -0.2574921E-01 31.16908 
1 1 1 8   4  48 o 77.724   17.971  57.379     23.902  50.728     28.216  74.276     44.975  72.810  21.022  86.817  26.896  -14.00684      34.13679 
1 1 1 8   4  49 o 72.667   20.562  50.934     27.263  90.667     36.758  2.3546     40.644  96.167  22.321  54.179  23.426  41.98822       32.35738 
1 1 1 8   4  50 o 80.517   18.237  62.327     25.045  74.772     37.935  52.712     33.345  86.327  24.195  73.632  23.215  12.69563       33.53110 
1 1 1 8   4  51 o 47.591   18.428  15.278     21.824  -0.3426    30.513  31.640     31.228  46.305  20.159  60.984  22.381  -14.67920      30.12136 
1 1 1 8   4  52 o 113.210  15.560  120.176    29.944  126.307    46.972  115.979    38.866  110.622 24.917  108.077 21.353  2.544830       32.81449 
1 1 1 8   4  53 o 70.796   17.197  48.922     21.047  54.680     27.639  40.975     32.473  73.763  20.645  65.504  22.968  8.258469       30.88260 
1 1 1 8   4  54 o 132.525  12.833  162.146    29.323  198.057    39.058  115.760    44.390  144.705 15.711  104.319 24.744  40.38541       29.31051 
1 1 1 8   4  55 o 36.514   15.592  2.1917     17.587  12.993     22.624  -14.3030   27.958  45.868  18.445  38.893  17.894  6.975010       25.69855 
1 1 1 8   4  56 o 78.050   16.419  60.191     21.667  61.676     28.594  58.188     33.205  76.670  20.821  73.527  23.165  3.142487       31.14699 
1 1 1 8   4  57 o 65.634   20.707  45.293     26.525  62.473     41.991  33.887     34.215  74.088  26.108  59.923  23.111  14.16492       34.86694 
1 1 1 8   4  58 o 76.954   23.339  67.048     34.090  66.578     45.298  67.663     51.767  74.615  27.020  74.609  28.513  0.6004333E-02  39.28203 
1 1 1 8   4  59 o 52.523   21.224  22.967     30.112  36.896     39.553  3.7652     46.441  60.739  24.401  52.250  23.663  8.489452       33.99037 
1 1 1 8   4  60 f 53.740   19.142  29.539     22.630  33.712     25.805  15.638     47.097  56.622  20.411  54.737  24.383  1.884480       31.79810 
1 1 1 8   4  61 o 40.086   17.689  2.3499     24.220  2.0266     29.031  3.0901     43.929  42.785  19.095  49.711  22.707  -6.925884      29.66821 
1 1 1 8   4  62 o 46.442   19.329  16.313     25.934  27.598     31.583  -7.0453    45.438  53.106  21.635  47.281  22.113  5.824684       30.93638 
1 1 1 8   4  63 o 79.271   21.331  75.346     30.173  61.525     37.106  102.323    51.840  67.888  24.475  80.554  28.941  -12.66682      37.90286 
1 1 1 8   4  64 o 46.393   17.395  21.901     19.051  39.535     23.705  -10.2635   32.014  57.911  19.651  39.469  18.492  18.44159       26.98372 
1 1 1 8   4  65 o 54.390   18.007  34.166     19.915  38.328     24.937  26.838     33.089  56.082  20.081  50.631  21.498  5.451374       29.41747 
1 1 1 8   4  66 o 24.037   11.735  -23.4463   16.153  -36.4214   19.598  4.0348     28.522  24.508  12.147  40.606  18.450  -16.09773      22.08981 
1 1 1 8   5  0  o 255.012  10.658  569.354    47.457  514.682    66.926  624.644    67.303  241.518 15.960  266.395 14.524  -24.87672      21.57953 
1 1 1 8   5  1  o 83.022   10.663  61.333     15.101  49.661     17.744  91.988     28.756  73.999  14.250  100.947 16.913  -26.94825      22.11561 
1 1 1 8   5  2  o 543.635  18.534  2602.59    175.934 2313.01    215.331 3184.05    305.129 510.970 24.135  597.480 29.248  -86.50989      37.92038 
1 1 1 8   5  3  o 667.895  22.063  3942.72    257.300 3617.43    315.023 4594.58    445.950 637.234 28.313  713.010 35.936  -75.77625      45.74913 
1 1 1 8   5  4  o 216.855  11.458  413.079    43.232  361.570    52.613  520.157    75.857  202.378 14.996  242.425 18.050  -40.04724      23.46655 
1 1 1 8   5  5  o 267.658  10.661  627.284    49.826  626.792    70.307  627.781    70.625  266.733 15.158  266.935 15.216  -0.2019653     21.47777 
1 1 1 8   5  6  o 217.902  10.378  415.686    39.486  419.272    55.773  412.083    55.911  218.042 14.736  216.131 14.907  1.911148       20.96076 
1 1 1 8   5  7  o 446.768  14.492  1752.18    113.047 1671.99    159.857 1832.40    159.889 435.108 21.041  455.732 20.093  -20.62381      29.09410 
1 1 1 8   5  8  f 92.764   9.4508  76.080     15.094  75.696     21.817  76.432     20.905  91.836  14.052  92.410  13.342  -0.5738373     19.37722 
1 1 1 8   5  9  o 165.116  9.0742  239.257    26.061  243.941    37.052  234.671    36.663  166.302 12.860  163.076 12.983  3.225555       18.27415 
1 1 1 8   5  10 o 83.831   9.8422  62.352     14.132  64.409     20.539  60.503     19.476  84.493  14.441  81.881  14.133  2.611977       20.20591 
1 1 1 8   5  11 o 28.799   11.341  4.0491     8.3800  -5.7162    14.490  8.9564     10.272  30.400  13.534  35.387  12.859  -4.987078      18.66908 
1 1 1 8   5  12 o 351.666  14.029  1085.46    86.145  1015.83    149.032 1120.39    105.567 337.229 25.498  356.845 16.943  -19.61569      30.61416 
1 1 1 8   5  13 o 293.629  15.217  759.510    77.750  0.0000     0.0000  759.510    77.750  ?       ?       293.629 15.217  0.000000       15.21711 
1 1 1 8   5  14 o 372.210  17.786  1220.20    115.596 0.0000     0.0000  1220.20    115.596 ?       ?       372.210 17.786  0.000000       17.78649 
1 1 1 8   5  15 o 558.128  22.877  2759.89    222.940 0.0000     0.0000  2759.89    222.940 ?       ?       558.128 22.877  0.000000       22.87656 
1 1 1 8   5  16 o 300.917  12.569  794.141    66.038  761.119    114.238 810.715    80.931  292.296 22.558  303.326 15.330  -11.03006      27.27398 
1 1 1 8   5  17 o 360.239  14.242  1139.71    89.584  1233.93    155.257 1092.69    109.684 372.072 24.026  351.678 17.922  20.39331       29.97422 
1 1 1 8   5  18 o 133.812  10.172  157.706    23.589  130.797    40.991  171.030    28.844  120.073 20.273  139.156 11.988  -19.08350      23.55252 
1 1 1 8   5  19 o 253.683  12.504  564.538    55.386  535.125    96.101  579.168    67.774  244.636 22.759  256.213 15.218  -11.57703      27.37801 
1 1 1 8   5  20 o 246.682  12.313  533.792    53.036  517.912    91.919  541.717    64.935  240.752 22.113  247.764 15.082  -7.012009      26.76678 
1 1 1 8   5  21 o 145.528  10.912  186.636    27.526  228.206    49.652  168.192    33.074  159.843 18.110  137.675 13.951  22.16866       22.86039 
1 1 1 8   5  22 o 341.882  14.475  1027.50    86.406  972.477    149.060 1055.34    106.039 329.085 26.157  345.473 17.638  -16.38782      31.54799 
1 1 1 8   5  23 o 82.126   13.357  60.741     18.496  75.082     22.996  34.468     31.126  91.228  14.955  65.273  22.509  25.95506       27.02431 
1 1 1 8   5  24 o 338.827  14.623  1009.77    86.514  1072.86    105.974 883.716    149.802 348.712 17.405  312.858 27.709  35.85410       32.72198 
1 1 1 8   5  25 o 308.207  13.564  834.811    72.993  745.360    89.009  1018.49    127.549 290.045 17.660  338.029 21.725  -47.98459      27.99733 
1 1 1 8   5  26 o 183.062  12.027  295.397    38.228  267.305    46.080  357.413    68.466  173.554 15.365  199.923 19.877  -26.36842      25.12280 
1 1 1 8   5  27 o 377.711  13.121  1253.82    86.532  1142.19    121.716 1367.89    123.045 358.564 19.514  393.397 17.913  -34.83289      26.48940 
1 1 1 8   5  28 o 265.778  11.332  619.873    52.589  576.711    72.947  666.582    75.885  255.120 16.464  274.483 15.902  -19.36304      22.88915 
1 1 1 8   5  29 o 158.518  10.825  221.463    29.783  204.695    40.168  241.935    44.384  151.617 15.386  164.919 15.599  -13.30209      21.91009 
1 1 1 8   5  30 f 170.040  10.989  254.799    32.453  239.863    44.139  272.375    47.881  164.171 15.585  174.982 15.843  -10.81088      22.22369 
1 1 1 8   5  31 f 152.173  11.007  204.328    29.048  175.980    39.171  238.963    43.298  140.217 16.304  163.876 15.309  -23.65938      22.36486 
1 1 1 8   5  32 o 329.550  12.398  955.154    71.339  866.874    99.709  1047.74    102.112 312.069 18.380  344.045 16.998  -31.97519      25.03500 
1 1 1 8   5  33 o 164.951  13.388  241.233    38.227  226.116    44.419  284.400    75.060  159.086 16.218  176.098 25.123  -17.01254      29.90327 
1 1 1 8   5  34 o 319.482  14.123  900.640    78.783  808.860    94.860  1104.69    141.443 301.224 18.120  349.956 23.280  -48.73245      29.50101 
1 1 1 8   5  35 o 203.134  27.397  381.428    94.694  0.0000     0.0000  381.428    94.694  ?       ?       203.134 27.397  0.000000       27.39662 
1 1 1 8   5  36 o 168.362  31.401  269.287    88.916  0.0000     0.0000  269.287    88.916  ?       ?       168.362 31.401  0.000000       31.40143 
1 1 1 8   5  37 o 451.942  17.399  1818.36    137.301 1791.04    235.310 1832.47    169.064 438.588 30.925  451.428 21.449  -12.83969      37.63523 
1 1 1 8   5  38 o ?        ?       -212.1373  7.6353  -206.8374  8.3191  -240.4586  19.231  ?       ?       ?       ?       0.000000       ?        
1 1 1 8   5  39 o 83.903   16.954  64.945     23.983  61.968     31.681  68.940     36.705  81.374  21.841  85.689  23.723  -4.315262      32.24603 
1 1 1 8   5  40 o 114.283  13.893  117.462    27.153  92.341     35.284  153.950    42.523  99.308  21.004  129.494 19.404  -30.18649      28.59570 
1 1 1 8   5  41 o 112.544  13.705  114.031    26.375  99.402     33.423  138.176    42.940  103.477 19.206  121.882 20.931  -18.40536      28.40729 
1 1 1 8   5  42 o 170.862  12.259  259.985    36.329  270.688    48.731  246.593    54.508  173.078 16.318  163.977 19.414  9.100525       25.36111 
1 1 1 8   5  43 o 120.962  12.840  131.471    26.705  120.039    34.822  147.797    41.613  113.936 18.110  126.161 19.521  -12.22522      26.62741 
1 1 1 8   5  44 o 79.505   16.565  59.027     22.250  32.771     28.587  99.372     35.437  61.999  21.561  102.428 20.529  -40.42907      29.77106 
1 1 1 8   5  45 o 157.252  13.365  222.723    36.348  211.852    41.765  256.665    73.801  152.363 15.935  161.853 27.070  -9.489716      31.41215 
1 1 1 8   5  46 o 65.221   19.452  40.044     23.828  26.896     26.339  99.301     55.918  57.281  20.624  98.686  29.882  -41.40522      36.30851 
1 1 1 8   5  47 o 108.089  19.514  111.404    35.474  99.783     44.912  130.678    57.840  99.537  25.673  112.240 29.226  -12.70327      38.90089 
1 1 1 8   5  48 o 47.046   19.201  10.152     24.935  17.709     29.237  -10.0109   47.756  53.326  21.126  54.337  24.353  -1.010181      32.23921 
1 1 1 8   5  49 o 61.058   19.879  34.934     24.308  19.757     33.485  51.845     35.345  56.175  22.492  72.876  23.983  -16.70133      32.87968 
1 1 1 8   5  50 o 84.700   19.288  70.484     27.887  79.356     39.914  62.022     38.979  87.495  24.922  78.074  25.152  9.420906       35.40828 
1 1 1 8   5  51 o 64.864   20.063  41.316     25.036  29.070     35.224  53.819     35.591  60.309  23.396  72.953  24.069  -12.64329      33.56577 
1 1 1 8   5  52 o 98.390   15.012  91.760     24.973  91.830     32.809  91.664     38.508  95.507  20.299  93.365  23.607  2.141319       31.13459 
1 1 1 8   5  53 o 157.831  13.849  232.612    37.780  220.059    44.779  263.624    70.382  150.800 17.321  155.401 26.913  -4.600891      32.00525 
1 1 1 8   5  54 o 179.425  13.595  301.378    42.275  279.298    50.445  353.468    77.483  169.237 17.315  180.706 25.246  -11.46928      30.61352 
1 1 1 8   5  55 o 49.924   18.663  21.708     21.897  11.905     24.951  54.561     45.676  46.086  19.052  70.707  26.840  -24.62019      32.91402 
1 1 1 8   5  56 o 64.229   26.464  39.442     47.930  0.0000     0.0000  39.442     47.930  ?       ?       64.229  26.464  0.000000       26.46405 
1 1 1 8   5  57 o 87.076   22.937  86.202     35.359  0.0000     0.0000  86.202     35.359  ?       ?       87.076  22.937  0.000000       22.93706 
1 1 1 8   5  58 o 61.825   23.416  42.106     34.718  0.0000     0.0000  42.106     34.718  ?       ?       61.825  23.416  0.000000       23.41625 
1 1 1 8   5  59 o 30.247   13.865  -7.4774    16.572  -8.9655    21.410  -5.2533    26.175  34.020  15.655  38.746  17.632  -4.726013      23.57852 
1 1 1 8   5  60 o 51.213   18.301  27.231     20.703  17.375     23.303  64.149     45.099  46.051  18.649  68.912  26.545  -22.86135      32.44100 
1 1 1 8   5  61 o 27.260   13.072  -19.6237   17.902  -13.0691   20.003  -46.0064   40.131  31.094  14.584  37.504  18.349  -6.410034      23.43853 
1 1 1 8   5  62 o 25.549   12.286  -18.6989   16.067  -16.5476   17.473  -30.4769   40.885  27.565  13.135  39.892  19.286  -12.32679      23.33439 
1 1 1 8   5  63 o 62.184   21.522  49.513     28.468  60.277     34.690  27.313     49.819  65.907  23.675  53.543  24.350  12.36475       33.96209 
1 1 1 8   5  64 o 71.821   19.879  63.642     25.777  81.413     37.278  47.359     35.683  74.147  24.641  58.223  23.252  15.92338       33.87945 
1 1 1 8   5  65 o 40.869   16.543  15.437     18.330  23.196     22.734  1.0228     30.987  46.145  18.513  40.332  18.657  5.813263       26.28324 
1 1 1 8   6  0  o 502.654  22.139  2233.27    194.311 2049.79    274.557 2417.39    275.038 476.875 33.180  519.294 30.466  -42.41962      45.04588 
1 1 1 8   6  1  o 198.239  14.566  346.789    50.067  290.216    70.282  405.079    71.340  179.726 22.917  213.532 19.344  -33.80577      29.99006 
1 1 1 8   6  2  o 365.025  16.996  1171.97    108.324 957.784    152.706 1388.91    153.685 327.102 26.978  395.704 22.334  -68.60263      35.02311 
1 1 1 8   6  3  o 301.103  13.378  795.228    70.333  719.940    121.458 833.210    86.268  283.871 24.752  307.471 16.125  -23.60028      29.54108 
1 1 1 8   6  4  o 450.540  16.266  1784.55    127.959 1485.39    221.238 1934.94    156.857 406.078 31.448  468.504 19.175  -62.42673      36.83226 
1 1 1 8   6  5  o 186.170  11.417  304.776    36.935  251.315    63.315  332.354    45.474  167.151 22.246  194.176 13.496  -27.02559      26.02005 
1 1 1 8   6  6  o 76.204   10.392  51.780     13.467  22.100     22.171  69.132     16.953  53.648  18.964  88.124  11.276  -34.47595      22.06286 
1 1 1 8   6  7  o 491.837  16.502  2127.72    141.713 1796.80    245.126 2293.85    173.678 446.528 31.645  509.925 19.506  -63.39676      37.17368 
1 1 1 8   6  8  o 433.155  15.296  1648.71    115.687 1419.54    200.033 1763.89    141.809 397.609 29.013  447.438 18.151  -49.82938      34.22303 
1 1 1 8   6  9  o 286.556  12.622  720.126    63.155  683.141    109.477 738.574    77.317  276.788 22.857  289.494 15.351  -12.70645      27.53317 
1 1 1 8   6  10 o 489.037  16.970  2105.23    144.903 2147.09    250.937 2084.29    177.484 488.996 29.528  485.559 20.934  3.437561       36.19612 
1 1 1 8   6  11 o 443.723  19.376  1737.82    150.116 0.0000     0.0000  1737.82    150.116 ?       ?       443.723 19.376  0.000000       19.37551 
1 1 1 8   6  12 o 118.429  8.5462  123.348    17.554  221.377    34.783  89.851     20.333  158.359 12.686  100.559 11.805  57.79983       17.32882 
1 1 1 8   6  13 o 160.650  10.240  226.945    28.575  282.202    52.185  203.282    34.149  178.225 16.975  151.652 13.023  26.57265       21.39453 
1 1 1 8   6  14 o 439.133  15.612  1696.28    119.705 1789.14    207.888 1650.21    146.413 447.011 26.758  432.248 19.399  14.76251       33.05009 
1 1 1 8   6  15 o 553.659  15.533  2696.65    150.164 2891.40    212.477 2502.31    212.251 571.400 21.297  530.981 22.893  40.41907       31.26734 
1 1 1 8   6  16 o 434.223  13.002  1655.10    98.581  1775.15    139.506 1535.37    139.322 448.628 17.809  416.902 19.139  31.72626       26.14337 
1 1 1 8   6  17 o 170.642  8.6099  255.485    25.571  274.815    36.600  237.052    35.740  176.607 11.939  163.877 12.587  12.73027       17.34830 
1 1 1 8   6  18 o 246.762  10.327  533.526    44.494  551.670    63.186  515.679    62.667  250.070 14.534  241.678 14.923  8.392105       20.83104 
1 1 1 8   6  19 o 194.838  9.5413  332.470    32.460  319.135    46.060  345.628    45.751  190.045 13.979  197.922 13.316  -7.877136      19.30608 
1 1 1 8   6  20 o 335.582  11.516  987.823    67.479  1052.80    95.511  923.069    95.349  345.720 15.822  323.077 16.962  22.64331       23.19578 
1 1 1 8   6  21 o 116.634  12.120  120.672    24.322  112.967    28.984  139.010    44.715  112.287 15.172  123.434 21.530  -11.14729      26.33854 
1 1 1 8   6  22 o 318.148  13.874  890.121    77.071  801.219    94.137  1070.86    134.223 300.578 18.020  346.295 22.317  -45.71732      28.68377 
1 1 1 8   6  23 o 413.713  16.114  1509.47    116.404 1444.22    142.395 1640.89    202.099 402.999 20.301  426.571 27.277  -23.57202      34.00223 
1 1 1 8   6  24 o 357.577  14.928  1126.35    93.202  1126.30    114.089 1126.45    161.600 356.287 18.402  353.356 26.382  2.930847       32.16594 
1 1 1 8   6  25 o 195.023  15.288  337.304    51.643  364.849    74.548  311.888    71.609  201.398 21.533  185.766 22.538  15.63144       31.17114 
1 1 1 8   6  26 o 324.797  14.322  929.246    81.222  975.136    140.481 906.203    99.547  329.027 24.631  319.464 17.919  9.563568       30.45935 
1 1 1 8   6  27 o 209.031  12.848  385.748    46.666  361.665    81.605  397.450    56.885  199.650 23.883  211.662 15.500  -12.01237      28.47188 
1 1 1 8   6  28 o 295.035  13.675  766.710    70.446  834.079    86.387  632.985    121.710 306.772 16.185  263.569 26.820  43.20319       31.32538 
1 1 1 8   6  29 o 182.313  14.860  295.256    46.891  295.256    46.891  0.0000     0.0000  182.313 14.860  ?       ?       0.000000       14.85951 
1 1 1 8   6  30 o 29.014   13.822  -24.9904   19.323  -24.9904   19.323  0.0000     0.0000  29.014  13.822  ?       ?       0.000000       13.82212 
1 1 1 8   6  31 o 153.027  22.685  214.389    58.779  214.389    58.779  0.0000     0.0000  153.027 22.685  ?       ?       0.000000       22.68533 
1 1 1 8   6  32 o 164.588  18.397  243.994    51.966  318.022    67.719  137.964    81.045  187.350 21.066  120.020 35.893  67.32983       41.61853 
1 1 1 8   6  33 o 339.346  15.741  1020.89    93.271  434.156    126.834 1711.83    137.638 212.651 35.404  438.410 17.980  -225.7589      39.70807 
1 1 1 8   6  34 o 180.037  18.719  292.455    57.986  377.076    77.271  183.377    87.730  203.465 22.106  136.609 36.199  66.85548       42.41487 
1 1 1 8   6  35 o ?        ?       -99.9075   13.885  -102.0211  15.534  -91.5118   30.960  ?       ?       28.247  14.190  0.000000       14.18993 
1 1 1 8   6  36 o 22.935   11.160  -25.2080   14.280  -20.1403   16.593  -39.6795   28.041  27.255  12.934  33.974  16.310  -6.718899      20.81540 
1 1 1 8   6  37 o 256.052  11.510  578.718    51.458  542.498    70.787  619.307    74.934  245.951 16.580  262.926 16.404  -16.97507      23.32364 
1 1 1 8   6  38 o 48.689   16.645  19.641     17.008  2.0616     21.074  52.482     28.804  40.835  17.237  74.946  21.111  -34.11100      27.25380 
1 1 1 8   6  39 o 168.694  11.502  252.843    33.678  229.651    45.151  281.927    50.562  159.265 16.474  176.578 16.594  -17.31282      23.38306 
1 1 1 8   6  40 o 71.877   16.000  48.105     19.565  33.076     24.828  72.726     31.778  61.150  20.099  87.495  21.056  -26.34493      29.10869 
1 1 1 8   6  41 o 153.035  11.321  208.738    30.036  177.853    40.328  247.211    45.010  139.406 16.914  165.090 15.808  -25.68346      23.15102 
1 1 1 8   6  42 o 200.195  11.233  356.940    39.107  343.817    53.392  372.128    57.441  194.581 15.853  202.205 16.411  -7.623764      22.81734 
1 1 1 8   6  43 o 121.599  12.049  133.102    25.246  123.077    33.870  145.637    37.872  115.032 17.407  125.132 17.838  -10.09969      24.92429 
1 1 1 8   6  44 o 75.932   17.162  54.715     22.219  45.826     25.684  81.145     44.290  69.246  20.075  89.976  26.441  -20.73033      33.19872 
1 1 1 8   6  45 o 89.537   16.723  75.642     25.183  66.618     29.583  99.394     47.994  82.631  20.581  98.421  27.078  -15.78972      34.01211 
1 1 1 8   6  46 f 80.229   20.051  63.030     28.010  48.175     35.343  88.118     45.932  71.042  23.996  92.287  26.872  -21.24547      36.02648 
1 1 1 8   6  47 o 29.751   13.867  -14.8652   17.625  -5.0741    25.072  -24.4303   24.781  40.364  17.895  33.976  16.027  6.388443       24.02337 
1 1 1 8   6  48 o 73.194   21.167  53.614     28.587  50.591     34.269  60.532     51.835  71.357  23.621  77.973  28.799  -6.615860      37.24723 
1 1 1 8   6  49 o 74.984   21.595  57.233     29.810  67.246     35.725  34.278     54.091  80.314  23.788  68.082  28.090  12.23148       36.80915 
1 1 1 8   6  50 o 80.709   19.098  65.398     26.495  58.083     29.511  95.802     60.163  75.082  21.445  90.297  31.285  -15.21567      37.92965 
1 1 1 8   6  51 o 127.548  15.178  154.809    33.139  108.082    48.516  195.681    45.374  97.392  27.385  140.509 18.980  -43.11638      33.31969 
1 1 1 8   6  52 o 190.522  13.523  340.148    44.693  239.429    70.118  409.069    58.003  143.437 28.994  205.947 16.262  -62.51015      33.24305 
1 1 1 8   6  53 o 59.663   20.518  36.123     25.855  40.557     35.627  31.189     37.580  63.246  23.773  59.457  23.821  3.788445       33.65371 
1 1 1 8   6  54 o 123.369  17.627  153.480    36.891  121.882    58.046  174.893    47.783  95.591  30.682  126.937 22.376  -31.34539      37.97504 
1 1 1 8   6  55 o 67.842   22.234  51.748     30.391  25.540     45.636  72.630     40.738  58.010  24.953  77.090  25.763  -19.07977      35.86652 
1 1 1 8   6  56 o 55.148   21.054  30.537     28.206  36.940     43.226  25.789     37.221  60.415  25.034  55.114  23.066  5.301170       34.03992 
1 1 1 8   6  57 o 97.460   15.431  96.063     25.385  96.003     31.990  96.165     41.716  92.952  20.281  86.578  25.719  6.374237       32.75344 
1 1 1 8   6  58 o 93.018   16.515  90.288     25.841  104.160    31.658  62.597     44.730  97.211  19.332  68.093  26.378  29.11710       32.70386 
1 1 1 8   6  59 o 142.301  14.844  205.471    36.340  194.302    42.196  237.543    71.502  133.331 18.634  121.844 32.857  11.48679       37.77345 
1 1 1 8   6  60 o 32.967   15.003  -4.2964    18.957  -12.1829   20.618  38.811     48.204  31.622  14.823  57.423  25.159  -25.80154      29.20131 
1 1 1 8   6  61 o 82.186   19.379  79.294     27.357  65.673     31.176  124.892    57.042  70.491  22.471  82.452  30.250  -11.96027      37.68336 
1 1 1 8   6  62 o 41.365   17.316  13.684     20.986  9.8399     23.157  31.354     49.650  40.518  17.601  53.083  24.205  -12.56490      29.92803 
1 1 1 8   6  63 o 129.962  13.789  176.281    30.813  169.679    39.974  185.946    48.370  117.500 20.213  114.542 24.896  2.957489       32.06812 
1 1 1 8   7  0  o 523.340  18.974  2415.93    173.381 2374.25    212.295 2499.41    300.455 517.389 23.500  525.995 32.879  -8.605347      40.41367 
1 1 1 8   7  1  f 419.316  16.474  1547.16    120.618 1611.58    147.750 1418.46    208.848 427.209 19.807  396.711 30.381  30.49823       36.26785 
1 1 1 8   7  2  o 245.337  10.932  527.335    46.831  498.750    66.329  555.747    66.128  237.578 16.084  251.005 15.160  -13.42673      22.10238 
1 1 1 8   7  3  o 244.544  11.018  523.980    47.046  538.799    66.521  509.150    66.546  247.067 15.498  240.065 15.967  7.001999       22.25167 
1 1 1 8   7  4  o 645.263  19.340  3676.07    217.895 3493.25    308.140 3858.92    308.161 625.076 28.233  657.726 26.833  -32.65033      38.94992 
1 1 1 8   7  5  o 748.984  21.809  4968.87    285.210 4915.88    403.342 5021.85    403.352 739.418 31.241  747.580 30.900  -8.161743      43.94108 
1 1 1 8   7  6  o 275.061  11.411  663.202    54.806  649.432    77.502  676.976    77.513  271.117 16.449  276.894 16.102  -5.776550      23.01853 
1 1 1 8   7  7  o 282.282  11.025  698.330    54.340  631.214    76.679  766.041    77.019  267.243 16.514  294.796 15.013  -27.55219      22.31763 
1 1 1 8   7  8  o 335.049  12.500  984.962    73.128  972.907    103.508 996.976    103.331 331.648 17.941  335.797 17.686  -4.149109      25.19272 
1 1 1 8   7  9  o 290.761  13.429  742.425    68.180  764.741    118.223 731.304    83.457  292.495 23.343  287.648 16.688  4.847565       28.69468 
1 1 1 8   7  10 o 385.336  15.434  1306.58    103.841 1225.79    179.757 1347.05    127.215 368.901 28.119  390.551 18.655  -21.65024      33.74430 
1 1 1 8   7  11 o 188.179  14.115  312.955    46.042  171.436    64.400  460.919    65.850  135.976 28.055  228.112 16.648  -92.13596      32.62269 
1 1 1 8   7  12 o 113.770  12.586  114.988    24.584  109.606    44.363  117.373    29.534  108.919 23.976  114.525 15.140  -5.606125      28.35636 
1 1 1 8   7  13 o 322.142  11.562  910.279    65.034  955.864    92.544  865.804    91.410  329.384 16.091  312.922 16.791  16.46228       23.25656 
1 1 1 8   7  14 o 348.994  12.056  1068.93    73.465  1151.85    104.355 987.458    103.442 361.445 16.535  333.943 17.805  27.50223       24.29845 
1 1 1 8   7  15 o 246.700  10.202  533.388    43.947  651.456    63.004  421.505    61.331  272.280 13.252  218.081 16.223  54.19942       20.94740 
1 1 1 8   7  16 o 231.248  12.236  470.812    49.229  520.449    86.159  446.753    59.985  241.370 20.642  224.691 15.382  16.67932       25.74310 
1 1 1 8   7  17 o 219.337  10.747  421.903    41.158  441.058    59.034  403.787    57.411  223.251 15.235  213.512 15.505  9.738464       21.73777 
1 1 1 8   7  18 o 237.238  10.743  493.644    44.502  499.913    63.554  487.614    62.333  237.679 15.397  234.746 15.291  2.933151       21.69976 
1 1 1 8   7  19 o 212.474  10.915  397.111    40.357  400.184    56.892  393.999    57.257  212.507 15.438  210.803 15.668  1.703674       21.99572 
1 1 1 8   7  20 o 78.723   15.564  56.536     20.635  44.249     26.420  75.757     33.044  69.891  20.389  90.512  21.269  -20.62081      29.46317 
1 1 1 8   7  21 o 171.783  12.816  260.913    38.165  232.172    47.403  313.869    64.346  161.164 17.107  186.945 20.024  -25.78145      26.33640 
1 1 1 8   7  22 o 407.658  16.190  1468.34    115.241 1447.43    141.224 1510.02    199.369 403.466 20.047  407.644 28.183  -4.178375      34.58536 
1 1 1 8   7  23 f 203.700  12.822  366.509    45.371  338.673    55.619  421.873    78.439  195.026 16.487  216.600 21.004  -21.57430      26.70221 
1 1 1 8   7  24 o 360.638  14.046  1146.63    88.449  1017.59    107.017 1424.79    157.119 338.163 18.191  398.308 22.686  -60.14481      29.07839 
1 1 1 8   7  25 o 78.341   24.125  55.365     36.246  54.111     45.702  57.492     59.508  79.928  27.285  85.484  30.968  -5.555069      41.27324 
1 1 1 8   7  26 o 373.982  19.308  1248.97    125.651 1137.35    175.455 1366.49    180.027 352.049 28.795  387.307 26.785  -35.25781      39.32697 
1 1 1 8   7  27 o 126.106  21.633  146.237    45.918  112.023    59.527  196.510    72.157  108.747 30.248  144.088 29.669  -35.34140      42.36993 
1 1 1 8   7  28 o ?        ?       -305.2359  40.359  0.0000     0.0000  -305.2359  40.359  ?       ?       ?       ?       0.000000       ?        
1 1 1 8   7  29 o 548.959  19.715  2696.14    188.969 2378.50    231.022 3338.33    328.491 510.492 26.004  599.017 31.517  -88.52521      40.86034 
1 1 1 8   7  30 o 208.613  18.817  391.955    67.803  480.568    91.471  283.890    101.013 229.457 23.147  170.805 35.045  58.65237       41.99939 
1 1 1 8   7  31 o ?        ?       -99.5401   9.0740  -137.9303  22.743  -92.2718   9.8958  ?       ?       ?       ?       0.000000       ?        
1 1 1 8   7  32 o 132.712  15.172  158.415    34.526  179.191    59.896  148.076    42.252  137.811 25.841  126.987 19.694  10.82428       32.48970 
1 1 1 8   7  33 o 107.306  16.172  104.835    29.361  102.788    47.914  106.066    37.153  103.608 26.407  106.683 20.692  -3.074318      33.54850 
1 1 1 8   7  34 o 136.010  24.048  174.102    55.021  174.102    55.021  0.0000     0.0000  136.010 24.048  ?       ?       0.000000       24.04824 
1 1 1 8   7  35 o 101.211  19.622  95.629     33.424  95.629     33.424  0.0000     0.0000  101.211 19.622  ?       ?       0.000000       19.62174 
1 1 1 8   7  36 o 135.847  14.274  166.294    33.351  180.038    39.742  133.566    61.327  140.703 16.489  116.089 30.029  24.61417       34.25807 
1 1 1 8   7  37 o 54.319   18.011  25.689     19.921  23.561     24.908  29.467     33.185  55.080  20.022  62.113  23.023  -7.033154      30.51137 
1 1 1 8   7  38 o 66.267   17.698  41.276     20.865  18.387     26.582  78.011     33.676  52.909  20.380  90.151  21.663  -37.24199      29.74264 
1 1 1 8   7  39 o 33.886   14.909  -3.8189    17.085  -11.6698   20.366  14.835     31.393  34.081  15.526  53.839  21.700  -19.75809      26.68248 
1 1 1 8   7  40 o 185.799  11.623  308.868    37.517  299.880    50.822  319.631    55.615  180.996 16.255  186.349 17.289  -5.353394      23.73053 
1 1 1 8   7  41 o 268.980  11.977  647.287    56.250  623.669    78.786  671.844    80.335  260.031 17.454  270.197 17.116  -10.16595      24.44584 
1 1 1 8   7  42 o 63.991   20.408  38.519     25.712  38.519     25.712  0.0000     0.0000  63.991  20.408  ?       ?       0.000000       20.40806 
1 1 1 8   7  43 o 50.914   21.009  11.559     30.262  11.559     30.262  0.0000     0.0000  50.914  21.009  ?       ?       0.000000       21.00901 
1 1 1 8   7  44 o 48.030   19.548  11.763     25.753  11.763     25.753  0.0000     0.0000  48.030  19.548  ?       ?       0.000000       19.54802 
1 1 1 8   7  45 o 147.582  16.579  205.411    41.982  166.630    54.446  262.284    65.933  126.607 25.510  160.712 24.250  -34.10521      35.19741 
1 1 1 8   7  46 o 68.676   18.861  46.811     23.308  42.289     32.588  51.548     33.352  66.046  23.017  71.331  23.288  -5.285301      32.74307 
1 1 1 8   7  47 o 37.312   16.026  1.4700     18.774  30.294     24.113  -42.9005   29.917  56.919  19.801  33.750  16.360  23.16926       25.68571 
1 1 1 8   7  48 o 44.453   17.338  13.938     19.427  -9.1053    26.421  41.056     28.663  39.276  17.812  63.945  21.609  -24.66951      28.00387 
1 1 1 8   7  49 o 72.909   17.275  53.317     21.655  41.072     27.069  75.085     36.092  63.392  20.994  82.756  23.741  -19.36317      31.69201 
1 1 1 8   7  50 o 85.402   16.270  72.251     23.376  68.301     30.405  77.959     36.556  79.741  21.394  83.467  23.877  -3.725166      32.05962 
1 1 1 8   7  51 o 61.214   17.566  38.484     19.755  40.837     24.249  33.839     34.067  62.353  19.812  59.253  23.002  3.099319       30.35776 
1 1 1 8   7  52 o 57.311   20.810  33.559     26.895  35.027     42.032  32.541     34.998  60.606  24.855  58.203  23.096  2.402344       33.92897 
1 1 1 8   7  53 o 45.839   18.991  13.856     24.871  16.722     39.681  12.002     31.919  52.899  23.009  48.307  20.824  4.592258       31.03314 
1 1 1 8   7  54 o 78.013   21.289  69.762     29.807  80.379     51.104  64.287     36.696  75.777  28.475  71.996  24.450  3.781151       37.53139 
1 1 1 8   7  55 o 107.674  13.768  114.536    25.292  89.256     33.478  148.151    38.605  87.105  22.005  116.103 19.750  -28.99715      29.56815 
1 1 1 8   7  56 o 54.610   18.112  32.613     20.144  16.071     25.096  62.580     33.777  45.729  19.022  70.048  23.459  -24.31898      30.20187 
1 1 1 8   7  57 o 40.875   16.718  12.503     18.955  37.869     22.917  -42.4325   33.725  57.340  19.323  34.220  16.758  23.11972       25.57755 
1 1 1 8   7  58 o 74.681   19.104  65.022     25.013  46.710     28.195  132.693    54.201  60.912  21.399  88.928  29.717  -28.01612      36.62039 
1 1 1 8   7  59 o 69.089   20.184  59.203     25.875  60.950     28.729  51.699     59.546  68.400  21.547  58.637  26.649  9.763027       34.26972 
1 1 1 8   7  60 o 46.135   18.254  22.828     21.804  16.904     24.274  47.574     49.614  43.710  18.478  56.348  25.068  -12.63823      31.14232 
1 1 1 8   7  61 o 42.859   18.078  17.120     23.154  19.332     25.520  6.8203     55.060  44.407  18.868  47.245  22.726  -2.838207      29.53745 
1 1 1 8   8  0  o 223.919  10.393  439.382    40.636  417.347    57.340  461.615    57.598  217.251 15.212  228.661 14.501  -11.41086      21.01634 
1 1 1 8   8  1  o 259.283  11.129  589.476    50.385  576.182    71.309  602.729    71.202  255.251 16.082  261.166 15.687  -5.915771      22.46552 
1 1 1 8   8  2  o 480.205  15.450  2030.29    129.548 2009.07    183.195 2051.51    183.221 475.615 22.060  480.698 21.829  -5.083008      31.03455 
1 1 1 8   8  3  o 245.443  10.727  528.120    45.973  556.600    65.200  499.959    64.833  251.054 14.941  237.744 15.706  13.30939       21.67784 
1 1 1 8   8  4  o 142.042  9.6910  177.562    23.892  185.821    34.016  169.521    33.564  144.775 13.616  138.141 14.113  6.634628       19.61114 
1 1 1 8   8  5  o 233.254  10.774  477.043    43.878  481.215    62.361  472.953    61.750  233.255 15.398  231.240 15.381  2.015259       21.76447 
1 1 1 8   8  6  o 388.128  13.062  1323.65    88.521  1321.44    125.279 1325.85    125.096 386.545 18.562  387.205 18.503  -0.6600647     26.20848 
1 1 1 8   8  7  o 337.009  17.652  1006.07    103.512 0.0000     0.0000  1006.07    103.512 ?       ?       337.009 17.652  0.000000       17.65223 
1 1 1 8   8  8  o 125.858  11.690  140.209    25.396  128.885    45.297  145.400    30.669  118.423 22.733  127.822 13.969  -9.398865      26.68180 
1 1 1 8   8  9  o 258.773  12.921  588.521    58.384  652.677    101.479 556.779    71.381  270.068 21.703  250.674 16.399  19.39444       27.20192 
1 1 1 8   8  10 o 239.060  12.930  503.782    53.770  441.368    93.377  534.745    65.769  220.861 24.633  245.833 15.400  -24.97208      29.05066 
1 1 1 8   8  11 o 250.714  11.134  551.615    48.742  524.582    68.809  578.840    69.054  243.252 16.295  255.747 15.537  -12.49507      22.51486 
1 1 1 8   8  12 o 243.391  11.104  519.911    47.190  511.822    66.806  527.966    66.667  240.295 16.014  244.137 15.723  -3.841705      22.44237 
1 1 1 8   8  13 o 183.354  10.692  295.967    34.082  270.007    47.908  322.567    48.495  174.191 15.928  190.770 14.671  -16.57938      21.65517 
1 1 1 8   8  14 o 550.238  16.787  2676.87    161.278 2611.20    228.062 2742.55    228.101 539.803 24.197  553.561 23.599  -13.75793      33.79948 
1 1 1 8   8  15 o 257.982  11.484  584.613    51.730  644.771    73.360  525.114    72.957  269.792 15.640  242.974 17.310  26.81810       23.32875 
1 1 1 8   8  16 o 407.005  19.732  1473.22    140.225 1473.22    140.225 0.0000     0.0000  407.005 19.732  ?       ?       0.000000       19.73158 
1 1 1 8   8  17 o 441.691  17.079  1727.84    131.721 1794.81    161.494 1594.74    227.670 448.712 20.612  416.222 31.562  32.48978       37.69640 
1 1 1 8   8  18 o 203.816  16.371  369.919    57.771  369.919    57.771  0.0000     0.0000  203.816 16.371  ?       ?       0.000000       16.37147 
1 1 1 8   8  19 o 81.633   26.662  58.704     43.714  58.704     43.714  0.0000     0.0000  81.633  26.662  ?       ?       0.000000       26.66189 
1 1 1 8   8  20 o 89.282   28.650  71.733     50.612  71.733     50.612  0.0000     0.0000  89.282  28.650  ?       ?       0.000000       28.64952 
1 1 1 8   8  21 o 172.821  25.119  275.166    73.580  275.166    73.580  0.0000     0.0000  172.821 25.119  ?       ?       0.000000       25.11926 
1 1 1 8   8  22 f ?        ?       -204.2680  13.863  -310.7352  23.003  -143.5429  17.372  ?       ?       ?       ?       0.000000       ?        
1 1 1 8   8  23 o 528.029  19.199  2490.75    177.006 2411.83    216.881 2648.18    306.320 516.260 24.060  531.804 33.153  -15.54388      40.96362 
1 1 1 8   8  24 o 611.766  21.587  3368.32    230.590 3760.90    282.516 2584.87    399.103 642.987 25.164  509.305 45.354  133.6828       51.86702 
1 1 1 8   8  25 o ?        ?       -426.4846  10.375  -515.0651  14.926  -343.6687  14.432  ?       ?       ?       ?       0.000000       ?        
1 1 1 8   8  26 f 86.003   15.608  67.668     22.575  63.104     30.746  73.006     33.253  82.135  21.270  88.224  21.729  -6.089203      30.40690 
1 1 1 8   8  27 o 161.313  11.745  230.818    32.854  215.131    45.998  247.155    46.942  154.251 17.381  165.743 16.437  -11.49158      23.92264 
1 1 1 8   8  28 o 57.939   17.377  30.409     18.975  34.316     25.832  25.831     27.964  62.591  20.498  58.272  21.210  4.318310       29.49656 
1 1 1 8   8  29 o 302.891  14.246  815.483    75.342  818.772    128.759 813.770    92.907  297.141 25.051  300.604 17.780  -3.463501      30.71914 
1 1 1 8   8  30 o 92.797   16.316  79.193     25.472  83.275     39.814  76.364     33.143  93.347  24.219  89.856  21.426  3.490211       32.33629 
1 1 1 8   8  31 f 79.092   18.278  58.637     24.736  62.135     45.283  57.149     29.531  82.222  27.150  77.805  21.173  4.417213       34.42957 
1 1 1 8   8  32 o 160.049  13.054  229.359    36.161  245.589    62.499  221.191    44.336  161.758 22.757  155.990 16.530  5.768250       28.12700 
1 1 1 8   8  33 o 126.597  12.298  143.778    26.841  155.522    37.738  131.755    38.184  130.196 17.007  118.949 19.026  11.24744       25.51924 
1 1 1 8   8  34 o 40.855   16.091  9.1235     16.871  -3.1995    24.523  20.198     23.248  41.262  18.015  52.028  19.273  -10.76645      26.38145 
1 1 1 8   8  35 f 86.008   17.707  69.743     25.705  63.091     32.301  81.231     42.447  80.779  22.210  90.718  25.653  -9.939217      33.93194 
1 1 1 8   8  36 o 117.129  14.026  125.108    28.114  163.423    51.880  109.178    33.451  129.517 23.818  107.658 18.460  21.85896       30.13426 
1 1 1 8   8  37 o 62.541   20.813  35.715     26.594  46.703     37.446  24.534     37.774  71.258  24.682  60.881  24.046  10.37702       34.45931 
1 1 1 8   8  38 o 156.211  16.892  226.799    45.342  198.837    62.699  257.454    65.648  140.190 26.587  161.912 23.943  -21.72256      35.77899 
1 1 1 8   8  39 o 134.318  14.400  165.941    33.246  195.835    40.346  102.708    58.678  145.093 16.202  97.727  30.794  47.36601       34.79670 
1 1 1 8   8  40 o 135.128  17.346  172.486    39.982  213.005    58.930  137.928    54.424  145.730 23.995  114.261 27.591  31.46838       36.56504 
1 1 1 8   8  41 o 49.303   19.235  16.694     23.914  -5.7788    39.507  29.690     30.044  49.932  22.280  59.046  21.902  -9.113956      31.24286 
1 1 1 8   8  42 o 81.966   21.495  68.393     31.143  59.032     46.175  76.205     42.181  76.105  27.317  84.569  26.022  -8.464272      37.72794 
1 1 1 8   8  43 o 73.646   20.386  55.056     27.106  55.348     44.777  54.887     34.055  73.643  26.834  72.894  23.512  0.7493362      35.67770 
1 1 1 8   8  44 o 42.472   17.996  5.3928     23.109  10.450     38.209  2.4763     29.017  53.257  22.868  45.282  19.686  7.975456       30.17454 
1 1 1 8   8  45 o 32.675   14.513  -3.5228    16.564  -13.1800   21.428  10.818     26.112  33.645  15.546  46.650  19.404  -13.00495      24.86333 
1 1 1 8   8  46 o 86.113   16.027  72.898     23.212  75.914     31.748  69.434     34.024  84.394  21.488  79.633  23.111  4.761452       31.55697 
1 1 1 8   8  47 o 75.538   17.124  57.799     22.065  70.867     30.054  42.518     32.499  81.228  21.026  63.711  22.912  17.51727       31.09787 
1 1 1 8   8  48 o 47.140   17.300  19.991     18.658  10.433     24.422  33.389     28.915  44.583  18.673  57.829  21.480  -13.24573      28.46154 
1 1 1 8   8  49 o 59.479   18.524  37.232     21.303  15.510     28.107  66.552     32.655  48.342  20.121  76.087  22.790  -27.74494      30.40169 
1 1 1 8   8  50 o 58.416   20.360  36.725     25.499  38.713     40.149  35.382     33.012  60.603  24.500  58.252  22.635  2.350468       33.35568 
1 1 1 8   8  51 o 69.200   20.328  54.243     26.181  8.7771     40.329  87.359     34.419  49.912  22.374  86.046  22.613  -36.13399      31.81107 
1 1 1 8   8  52 o 78.443   20.243  70.227     27.913  82.388     47.386  63.765     34.541  75.882  27.612  71.166  23.722  4.716911       36.40263 
1 1 1 8   8  53 o 52.212   18.565  29.396     21.279  19.160     29.972  39.798     30.214  48.649  20.547  58.239  21.892  -9.590088      30.02426 
1 1 1 8   8  54 o 65.969   18.144  49.185     21.552  36.804     30.019  62.354     30.959  55.996  21.633  69.990  22.402  -13.99429      31.14180 
1 1 1 8   8  55 o 100.088  15.625  105.823    26.414  102.161    37.028  109.618    37.691  88.163  23.590  91.855  23.427  -3.692818      33.24604 
1 1 1 8   8  56 o 60.648   20.725  46.866     26.368  43.434     34.381  51.769     41.092  57.095  22.816  59.681  24.537  -2.585560      33.50552 
1 1 1 8   8  57 o 46.852   19.080  23.446     24.555  19.315     32.375  29.041     37.677  46.686  20.533  50.714  22.231  -4.027992      30.26221 
1 1 1 8   8  58 o 71.720   21.963  71.813     30.090  66.301     38.096  80.955     49.060  63.576  24.421  64.675  26.724  -1.098946      36.20143 
1 1 1 8   9  0  o 212.131  12.459  396.971    45.946  411.304    56.636  369.380    78.578  215.415 15.154  202.178 22.648  13.23711       27.25042 
1 1 1 8   9  1  o 260.476  12.949  596.907    58.893  616.171    72.784  560.381    100.223 263.676 15.883  249.252 23.299  14.42404       28.19753 
1 1 1 8   9  2  o 54.814   18.206  25.317     20.351  63.452     33.757  3.5424     25.508  82.924  22.666  45.623  19.094  37.30037       29.63703 
1 1 1 8   9  3  o 453.170  16.974  1817.37    134.314 1876.43    164.947 1701.13    231.388 459.025 20.580  430.781 30.969  28.24442       37.18370 
1 1 1 8   9  4  o 323.541  13.720  922.167    77.507  988.719    95.636  794.801    132.301 334.374 16.380  295.980 25.860  38.39398       30.61111 
1 1 1 8   9  5  o 312.218  16.998  865.529    92.318  925.850    132.546 808.698    128.655 320.399 23.864  298.915 24.876  21.48401       34.47144 
1 1 1 8   9  6  o 150.526  14.598  201.731    37.884  230.226    56.370  178.258    51.162  159.438 20.739  139.736 21.671  19.70166       29.99561 
1 1 1 8   9  7  f 224.640  15.877  448.357    61.873  438.093    89.561  457.729    85.579  219.714 23.722  225.205 22.046  -5.490753      32.38437 
1 1 1 8   9  8  o 50.149   17.298  20.287     18.383  7.9015     34.010  25.398     21.849  53.721  22.228  55.476  18.866  -1.754688      29.15531 
1 1 1 8   9  9  o 26.629   12.253  -9.9676    13.115  -0.7924    30.116  -12.1149   14.569  47.440  20.335  27.636  12.787  19.80402       24.02082 
1 1 1 8   9  10 o 197.747  12.553  345.686    43.117  355.581    53.935  328.163    71.773  199.910 15.574  190.204 22.018  9.705841       26.96974 
1 1 1 8   9  11 o 50.465   17.954  19.604     19.904  -62.0960   28.783  94.484     27.555  30.514  15.049  102.132 15.975  -71.61826      21.94736 
1 1 1 8   9  12 o ?        ?       -336.6332  8.2851  -336.6332  8.2851  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 8   9  13 o 334.637  14.523  989.959    84.858  973.627    104.723 1021.19    144.807 330.213 18.234  335.022 24.933  -4.809387      30.88876 
1 1 1 8   9  14 o 573.264  25.159  2981.08    251.829 2981.08    251.829 0.0000     0.0000  573.264 25.159  ?       ?       0.000000       25.15874 
1 1 1 8   9  15 o 514.237  15.462  2343.94    138.833 2236.84    195.777 2452.28    196.907 498.174 22.507  522.266 21.593  -24.09158      31.18988 
1 1 1 8   9  16 o 208.242  13.704  384.899    49.551  371.408    61.070  410.894    84.771  203.540 17.349  212.034 23.280  -8.493805      29.03370 
1 1 1 8   9  17 o ?        ?       -168.0910  7.7067  -104.8165  11.487  -219.8860  10.393  ?       ?       ?       ?       0.000000       ?        
1 1 1 8   9  18 o 118.444  15.746  126.722    31.757  116.321    40.571  143.176    51.028  111.840 21.557  123.465 24.535  -11.62463      32.65992 
1 1 1 8   9  19 o 192.549  11.359  327.929    38.020  301.994    52.535  356.451    55.094  183.394 16.585  199.558 15.944  -16.16469      23.00659 
1 1 1 8   9  20 o 49.345   17.679  18.713     19.330  8.6754     24.625  34.829     31.202  47.083  19.133  64.795  22.526  -17.71258      29.55491 
1 1 1 8   9  21 o 406.378  13.711  1464.29    97.286  1366.79    136.737 1564.25    138.445 388.648 20.219  417.069 19.011  -28.42038      27.75337 
1 1 1 8   9  22 o 243.328  11.186  522.586    47.524  489.154    65.830  558.976    68.680  233.491 16.248  249.837 15.825  -16.34665      22.68142 
1 1 1 8   9  23 o 200.208  11.148  355.032    38.816  304.150    54.034  409.291    55.798  183.463 17.063  213.794 15.043  -30.33093      22.74738 
1 1 1 8   9  24 o 116.111  12.491  120.824    24.925  97.289     33.893  148.544    36.783  102.051 19.734  127.631 16.923  -25.57965      25.99658 
1 1 1 8   9  25 o 246.005  11.378  535.564    48.873  490.471    67.922  583.978    70.379  233.027 16.806  254.802 15.898  -21.77560      23.13424 
1 1 1 8   9  26 o 154.096  11.447  211.485    30.580  196.337    41.513  229.456    45.217  146.894 16.469  158.900 16.540  -12.00623      23.34040 
1 1 1 8   9  27 o 107.277  16.254  105.778    29.492  110.520    50.711  103.354    36.254  105.881 27.265  104.552 20.592  1.328743       34.16717 
1 1 1 8   9  28 o 172.323  13.140  266.528    39.238  237.488    64.154  283.884    49.596  157.683 24.063  176.625 16.264  -18.94246      29.04450 
1 1 1 8   9  29 o 137.845  13.421  171.569    31.893  163.774    49.864  176.966    41.490  130.828 22.649  138.444 17.558  -7.615372      28.65744 
1 1 1 8   9  30 o 155.693  13.658  219.137    36.753  224.270    42.984  205.180    70.876  156.564 15.946  142.270 29.500  14.29375       33.53362 
1 1 1 8   9  31 o 334.053  12.336  998.579    71.953  862.420    100.600 1141.19    102.956 304.915 18.990  353.562 16.677  -48.64752      25.27315 
1 1 1 8   9  32 o 148.691  13.274  200.482    34.100  177.901    39.402  267.864    68.064  138.547 16.619  165.513 24.273  -26.96617      29.41731 
1 1 1 8   9  33 o 181.848  12.835  299.189    40.493  265.765    47.401  389.450    77.894  169.583 16.206  200.652 22.628  -31.06970      27.83253 
1 1 1 8   9  34 o 131.978  14.007  159.814    31.784  126.895    36.724  258.066    63.446  115.166 18.920  162.106 23.066  -46.94023      29.83282 
1 1 1 8   9  35 o 167.691  12.788  255.846    37.160  141.210    60.539  325.152    47.072  113.996 30.005  188.140 14.439  -74.14356      33.29851 
1 1 1 8   9  36 o 237.456  13.276  514.858    54.823  447.005    92.137  552.046    68.211  209.109 25.781  243.391 16.142  -34.28259      30.41743 
1 1 1 8   9  37 o 149.450  16.518  211.051    42.383  209.784    59.247  212.379    60.655  142.774 24.658  143.222 25.173  -0.4478149     35.23766 
1 1 1 8   9  38 o 100.846  18.797  100.066    31.881  58.132     42.767  152.520    47.831  75.045  26.356  121.672 23.364  -46.62630      35.22053 
1 1 1 8   9  39 o 98.850   19.173  97.369     31.898  76.279     42.994  123.194    47.576  83.426  26.367  106.442 25.855  -23.01659      36.92820 
1 1 1 8   9  40 o 42.945   17.904  7.7624     22.306  8.7817     32.197  6.8217     30.931  49.429  21.102  47.973  20.587  1.455303       29.48045 
1 1 1 8   9  41 o 64.763   19.079  42.767     23.033  63.701     38.541  31.136     28.728  76.008  25.045  57.840  21.424  18.16742       32.95841 
1 1 1 8   9  42 o 149.588  13.977  212.040    36.083  214.894    61.249  210.523    44.655  137.953 26.389  145.481 17.960  -7.528137      31.92117 
1 1 1 8   9  43 o 108.579  15.447  115.113    28.460  83.207     48.224  132.164    35.254  82.269  28.028  114.159 18.305  -31.88985      33.47615 
1 1 1 8   9  44 o 72.177   18.528  54.676     23.469  35.634     37.514  66.922     30.084  60.371  23.926  77.940  21.437  -17.56905      32.12416 
1 1 1 8   9  45 o 27.734   13.010  -13.0908   15.929  -2.4005    20.461  -29.5344   25.377  36.029  16.059  31.981  15.395  4.047731       22.24573 
1 1 1 8   9  46 o 45.408   17.831  16.953     20.657  27.852     26.073  -1.4252    33.857  53.272  20.265  44.686  20.224  8.585789       28.62953 
1 1 1 8   9  47 o 35.106   15.310  1.5579     17.666  -23.6873   22.479  42.330     28.567  30.631  14.678  61.111  21.534  -30.47934      26.06063 
1 1 1 8   9  48 o 51.056   19.810  25.786     25.260  56.104     35.651  -4.7793    35.796  66.869  24.003  43.866  20.207  23.00295       31.37616 
1 1 1 8   9  49 o 48.670   18.111  23.991     20.577  27.599     31.553  21.320     27.143  52.661  21.558  48.819  19.991  3.842121       29.40087 
1 1 1 8   9  50 o 25.530   12.459  -27.0718   18.166  -25.9492   26.542  -28.0610   24.915  32.675  15.733  31.032  15.015  1.642960       21.74803 
1 1 1 8   9  51 o 44.800   17.258  19.598     19.063  27.487     24.432  7.3243     30.476  50.375  19.501  43.593  19.502  6.781433       27.57899 
1 1 1 8   9  52 o 56.674   18.594  37.878     21.253  23.304     28.290  56.762     32.202  48.343  20.160  64.513  22.849  -16.17078      30.47124 
1 1 1 8   9  53 o 55.647   19.052  37.783     22.282  30.598     26.372  55.707     41.654  50.883  20.094  60.253  24.730  -9.369881      31.86426 
1 1 1 8   9  54 o 42.970   18.322  16.029     24.220  2.5512     30.974  37.236     38.853  40.708  18.768  52.820  22.871  -12.11270      29.58599 
1 1 1 8   9  55 o 49.643   19.817  31.230     25.907  45.123     32.908  8.5851     42.013  55.207  22.230  44.655  21.005  10.55202       30.58396 
1 1 1 8   10 0  o 142.248  10.814  179.032    26.659  164.671    38.829  191.839    36.666  135.090 16.826  146.523 14.523  -11.43233      22.22717 
1 1 1 8   10 1  f 461.676  14.811  1888.36    119.395 1835.53    168.800 1941.26    168.901 451.602 21.407  464.808 20.811  -13.20602      29.85562 
1 1 1 8   10 2  o 165.413  12.646  242.853    36.247  209.036    66.691  257.030    43.181  149.238 26.567  169.720 14.717  -20.48232      30.37114 
1 1 1 8   10 3  f 217.373  13.234  419.039    49.991  366.888    89.535  442.660    60.258  198.726 26.461  222.778 15.589  -24.05171      30.71177 
1 1 1 8   10 4  o 307.327  14.116  836.252    75.746  841.130    132.730 833.897    92.242  302.650 25.350  305.339 17.373  -2.689514      30.73222 
1 1 1 8   10 5  o 17.641   8.7675  -25.9287   10.483  -29.2767   20.578  -24.7553   12.182  29.165  13.993  20.308  9.9712  8.856981       17.18245 
1 1 1 8   10 6  o 222.921  11.770  439.482    45.650  448.329    65.203  430.977    63.933  223.686 16.817  219.289 16.826  4.396774       23.78904 
1 1 1 8   10 7  o 324.808  12.486  931.958    70.812  1017.17    100.574 848.190    99.718  337.189 17.139  307.129 18.683  30.06012       25.35372 
1 1 1 8   10 8  o 245.719  11.373  532.432    48.796  529.403    69.405  535.391    68.618  243.182 16.442  244.663 16.153  -1.481842      23.04925 
1 1 1 8   10 9  o 101.212  12.299  91.797     21.289  90.146     31.663  93.159     28.762  98.633  19.075  100.869 16.930  -2.235840      25.50443 
1 1 1 8   10 10 o 158.524  16.092  226.227    43.924  226.227    43.924  0.0000     0.0000  158.524 16.092  ?       ?       0.000000       16.09174 
1 1 1 8   10 11 o 80.914   20.479  61.432     28.959  61.432     28.959  0.0000     0.0000  80.914  20.479  ?       ?       0.000000       20.47937 
1 1 1 8   10 12 o 52.976   17.244  24.412     18.292  27.708     23.567  19.417     29.010  57.400  19.593  55.309  21.294  2.091290       28.93689 
1 1 1 8   10 13 o 164.309  13.016  240.781    37.036  233.340    45.160  256.068    64.727  160.769 16.313  165.966 22.950  -5.196838      28.15709 
1 1 1 8   10 14 o 261.046  13.601  607.023    61.782  628.606    75.531  563.388    107.396 264.460 16.438  245.477 25.425  18.98254       30.27593 
1 1 1 8   10 15 o 219.740  13.045  430.153    49.827  441.493    60.903  407.197    86.653  221.588 15.845  208.782 24.220  12.80603       28.94275 
1 1 1 8   10 16 o 111.037  12.361  110.640    23.559  101.304    32.399  121.117    34.319  104.487 18.432  114.711 17.704  -10.22381      25.55727 
1 1 1 8   10 17 o 193.139  10.951  330.988    36.779  314.665    51.354  348.177    52.698  186.639 15.910  196.560 15.480  -9.920380      22.19835 
1 1 1 8   10 18 o 65.438   16.344  40.012     18.619  41.442     25.095  38.260     27.771  66.818  19.971  65.225  21.248  1.593239       29.16028 
1 1 1 8   10 19 o 458.614  14.682  1884.67    117.573 1851.18    166.170 1918.25    166.377 448.280 21.230  456.738 20.862  -8.457855      29.76461 
1 1 1 8   10 20 o 206.006  11.610  378.099    41.591  368.083    58.689  388.203    58.948  201.028 16.876  206.682 16.471  -5.654221      23.58193 
1 1 1 8   10 21 o 380.189  13.322  1292.63    88.437  1251.30    124.544 1334.66    125.600 368.745 19.412  381.812 18.840  -13.06680      27.05102 
1 1 1 8   10 22 o 237.856  11.323  503.150    47.026  488.048    65.792  518.925    67.243  231.441 16.386  238.777 16.225  -7.336090      23.05978 
1 1 1 8   10 23 o 289.815  11.982  749.541    60.635  805.242    85.321  692.704    86.186  297.111 16.512  274.326 18.095  22.78531       24.49607 
1 1 1 8   10 24 o 71.694   18.506  49.129     23.324  88.979     42.117  31.501     28.012  94.453  25.107  60.513  21.324  33.93930       32.93995 
1 1 1 8   10 25 o 153.597  13.672  214.222    36.285  123.359    61.517  262.699    44.933  108.115 30.989  169.385 15.360  -61.26963      34.58648 
1 1 1 8   10 26 o 175.835  13.279  280.268    40.469  291.377    68.633  274.347    50.106  173.009 23.313  172.026 16.899  0.9830170      28.79408 
1 1 1 8   10 27 o 324.076  14.136  953.649    79.988  816.994    96.594  1251.82    142.682 295.108 18.844  359.825 22.828  -64.71719      29.60119 
1 1 1 8   10 28 o 182.658  12.764  302.747    40.452  229.975    46.292  537.811    83.198  156.649 17.208  237.327 20.272  -80.67728      26.59057 
1 1 1 8   10 29 o 308.604  16.947  888.199    90.968  660.979    125.828 1136.99    131.665 250.930 29.268  341.652 22.191  -90.72141      36.73010 
1 1 1 8   10 30 o 167.491  13.324  256.960    38.643  211.913    63.166  283.904    48.852  142.870 26.290  174.166 16.252  -31.29610      30.90739 
1 1 1 8   10 31 o 220.990  13.262  447.493    50.937  350.549    85.976  499.925    63.228  181.612 28.013  231.421 15.741  -49.80925      32.13303 
1 1 1 8   10 32 o 56.753   18.717  30.482     21.523  14.819     35.450  39.627     27.088  54.142  22.572  63.695  20.997  -9.552441      30.82767 
1 1 1 8   10 33 o 104.727  16.061  105.022    28.432  60.310     45.906  132.845    36.213  75.826  27.235  116.507 18.413  -40.68159      32.87567 
1 1 1 8   10 34 o 84.012   20.078  72.033     29.052  68.523     39.271  76.276     43.178  79.472  25.209  83.000  26.444  -3.528336      36.53442 
1 1 1 8   10 35 o 143.558  16.792  199.603    41.295  180.208    57.026  220.987    59.879  127.564 26.470  143.436 24.806  -15.87157      36.27667 
1 1 1 8   10 36 o 60.168   20.240  36.296     25.144  35.081     33.385  37.889     38.221  60.823  22.980  63.151  24.406  -2.328510      33.52229 
1 1 1 8   10 37 o 45.855   17.563  16.745     19.669  32.880     23.050  -26.4787   37.727  57.398  19.378  41.952  19.786  15.44611       27.69464 
1 1 1 8   10 38 o 107.330  13.690  110.130    25.071  96.917     33.283  127.459    38.118  95.647  20.542  110.027 20.598  -14.37971      29.09060 
1 1 1 8   10 39 o 64.866   18.144  43.939     21.356  44.568     27.893  43.049     33.198  64.215  21.313  63.310  23.100  0.9041786      31.43028 
1 1 1 8   10 40 o 64.381   18.496  43.969     21.892  37.559     29.265  52.115     32.988  59.606  21.698  67.583  23.180  -7.976791      31.75091 
1 1 1 8   10 41 o 67.586   17.869  48.490     21.408  29.701     28.009  74.888     33.199  54.719  20.959  80.215  22.688  -25.49650      30.88727 
1 1 1 8   10 42 o 84.692   16.351  73.908     23.304  72.683     30.760  75.557     35.702  79.359  21.614  78.604  23.894  0.7550125      32.21968 
1 1 1 8   10 43 o 33.022   14.607  -0.7350    16.615  6.3414     20.313  -15.0389   28.880  39.133  16.735  37.444  17.550  1.688957       24.24982 
1 1 1 8   10 44 o 43.807   16.756  17.409     17.887  36.251     22.504  -14.9124   29.474  57.014  19.148  37.579  17.650  19.43467       26.04176 
1 1 1 8   10 45 o 37.244   15.805  6.6768     17.869  -6.4552    22.511  29.046     29.380  35.104  16.116  52.601  21.066  -17.49712      26.52381 
1 1 1 8   10 46 o 42.590   17.595  14.043     21.262  16.682     31.402  11.809     28.893  47.418  20.547  44.756  19.547  2.662182       28.35939 
1 1 1 8   10 47 o 29.665   13.837  -9.7653    17.603  21.301     26.400  -34.6344   23.621  47.375  19.592  28.434  13.946  18.94065       24.04814 
1 1 1 8   10 48 o 35.874   15.876  2.8904     19.647  18.722     33.174  -5.6627    24.384  47.451  20.829  35.802  16.557  11.64983       26.60794 
1 1 1 8   10 49 o 36.869   16.049  6.2888     19.337  -3.6217    29.404  13.841     25.668  38.733  18.006  42.920  18.587  -4.187496      25.87828 
1 1 1 8   10 50 o 48.511   20.507  26.994     29.899  23.111     36.467  34.958     52.222  47.986  21.410  52.356  24.219  -4.369450      32.32548 
1 1 1 8   10 51 o 21.477   10.584  -24.5138   14.142  -24.5138   14.142  0.0000     0.0000  21.477  10.584  ?       ?       0.000000       10.58411 
1 1 1 8   11 0  o 175.613  12.467  275.308    37.980  259.109    66.557  283.130    46.250  165.729 23.673  177.209 15.091  -11.47992      28.07408 
1 1 1 8   11 1  o 172.940  12.895  267.505    38.659  232.652    67.023  284.882    47.325  155.919 25.500  177.608 15.413  -21.68893      29.79637 
1 1 1 8   11 2  o 291.999  11.765  756.493    59.984  812.326    85.326  701.942    84.342  299.951 16.354  278.126 17.456  21.82492       23.91972 
1 1 1 8   11 3  o 213.960  10.579  405.028    39.521  460.655    56.935  353.302    54.903  226.453 14.475  197.547 16.056  28.90620       21.61754 
1 1 1 8   11 4  o 204.797  10.943  372.537    38.991  437.827    56.658  313.800    53.740  220.551 14.798  185.752 16.749  34.79881       22.35010 
1 1 1 8   11 5  f 90.578   12.740  74.412     19.593  77.025     31.446  72.755     25.049  89.957  20.480  88.398  16.844  1.558350       26.51657 
1 1 1 8   11 6  o 168.011  11.079  251.343    32.319  291.529    47.488  216.670    44.111  179.473 15.300  154.020 16.668  25.45309       22.62549 
1 1 1 8   11 7  o 100.517  11.918  91.035     20.509  106.771    31.516  79.476     27.011  107.256 17.427  92.232  17.410  15.02357       24.63380 
1 1 1 8   11 8  o 154.947  11.542  214.495    31.003  230.264    44.030  198.988    43.663  158.915 16.090  147.122 17.329  11.79298       23.64704 
1 1 1 8   11 9  o 110.104  12.903  109.663    24.336  134.518    34.807  85.891     34.039  120.685 16.988  94.608  21.138  26.07697       27.11854 
1 1 1 8   11 10 o 102.376  15.446  96.521     26.752  102.674    33.167  85.064     45.260  104.409 18.888  92.649  26.588  11.75948       32.61405 
1 1 1 8   11 11 o 206.059  13.024  381.474    46.619  412.664    57.394  320.991    79.924  213.101 15.532  181.569 25.948  31.53191       30.24107 
1 1 1 8   11 12 f 55.757   18.614  27.502     21.264  15.632     25.806  52.610     37.532  50.727  19.926  74.806  24.718  -24.07843      31.74953 
1 1 1 8   11 13 o 212.458  11.174  403.051    41.308  405.007    57.914  401.025    58.935  210.627 15.864  209.361 16.249  1.266113       22.70898 
1 1 1 8   11 14 o 174.674  11.152  272.971    33.836  255.319    47.225  291.592    48.504  166.564 16.453  178.478 15.725  -11.91391      22.75904 
1 1 1 8   11 15 o 165.924  11.001  246.465    31.692  209.409    43.506  288.359    46.258  150.370 16.860  177.678 15.052  -27.30806      22.60158 
1 1 1 8   11 16 o 153.578  11.476  211.981    30.551  214.002    41.431  209.573    45.228  152.404 15.799  149.871 17.620  2.533661       23.66560 
1 1 1 8   11 17 o 172.540  13.067  269.807    39.074  220.669    64.761  297.934    48.997  148.264 25.962  179.896 15.758  -31.63199      30.36967 
1 1 1 8   11 18 f 204.620  12.393  378.098    44.070  378.455    75.372  377.913    54.324  197.726 22.216  202.717 15.464  -4.991638      27.06822 
1 1 1 8   11 19 o 241.679  13.171  530.054    55.371  542.646    94.188  523.403    68.448  235.479 23.209  237.527 16.608  -2.047623      28.53973 
1 1 1 8   11 20 o 78.533   18.151  59.808     24.390  47.753     42.191  65.859     29.891  71.698  26.060  81.477  20.907  -9.778786      33.40965 
1 1 1 8   11 21 o 58.368   25.218  8.4359     47.028  0.0000     0.0000  8.4359     47.028  ?       ?       58.368  25.218  0.000000       25.21817 
1 1 1 8   11 22 o 234.876  27.281  573.575    109.798 0.0000     0.0000  573.575    109.798 ?       ?       234.876 27.281  0.000000       27.28100 
1 1 1 8   11 23 o 271.136  28.208  778.577    131.590 0.0000     0.0000  778.577    131.590 ?       ?       271.136 28.208  0.000000       28.20831 
1 1 1 8   11 24 o 63.540   21.851  38.723     29.322  0.0000     0.0000  38.723     29.322  ?       ?       63.540  21.851  0.000000       21.85092 
1 1 1 8   11 25 o 200.206  13.138  368.968    45.673  355.617    77.967  375.943    56.354  185.128 24.739  199.345 16.334  -14.21658      29.64457 
1 1 1 8   11 26 o 71.466   19.502  51.583     25.015  16.325     44.141  68.263     30.360  58.129  24.759  81.434  21.159  -23.30505      32.56900 
1 1 1 8   11 27 o 332.482  14.977  1036.75    86.950  1003.32    150.333 1053.55    106.587 299.230 29.143  328.625 18.652  -29.39508      34.60086 
1 1 1 8   11 28 o 186.555  13.884  325.824    44.901  260.420    76.401  360.333    55.497  149.275 30.346  193.509 16.585  -44.23448      34.58279 
1 1 1 8   11 29 o 131.940  13.042  162.876    29.651  167.842    41.192  157.535    42.716  129.598 18.748  124.100 20.424  5.498123       27.72428 
1 1 1 8   11 30 o 47.442   18.021  18.470     20.601  22.050     28.887  14.765     29.387  52.867  20.981  49.756  20.631  3.110611       29.42540 
1 1 1 8   11 31 o 134.301  12.607  169.232    29.218  164.804    39.179  174.782    43.858  128.130 18.009  130.192 19.927  -2.062225      26.85938 
1 1 1 8   11 32 o 63.014   18.506  41.304     21.701  24.926     26.418  75.289     38.055  52.858  20.329  80.529  24.706  -27.67158      31.99473 
1 1 1 8   11 33 o 132.663  13.624  168.636    31.110  179.050    37.422  145.337    55.976  134.268 16.296  106.489 29.221  27.77938       33.45778 
1 1 1 8   11 34 o 136.210  13.333  177.946    31.304  151.305    37.506  239.115    56.831  120.946 18.335  146.376 22.994  -25.42953      29.40914 
1 1 1 8   11 35 o 45.163   16.181  19.075     16.195  8.3523     20.854  35.367     25.705  40.933  17.205  57.661  20.415  -16.72858      26.69843 
1 1 1 8   11 36 o 36.836   15.010  8.1098     15.206  -2.7051    19.282  25.899     24.729  34.620  15.498  51.598  19.710  -16.97781      25.07322 
1 1 1 8   11 37 o 42.985   16.958  15.023     18.765  21.506     22.038  -2.0711    35.784  48.056  18.544  44.800  20.475  3.256721       27.62416 
1 1 1 8   11 38 o 135.778  13.834  182.399    32.340  165.785    38.783  220.324    58.595  124.072 18.465  131.060 26.516  -6.987785      32.31154 
1 1 1 8   11 39 o 82.858   15.642  71.469     21.801  30.235     30.115  116.872    31.601  53.483  21.360  103.803 18.093  -50.31953      27.99316 
1 1 1 8   11 40 o 41.923   16.500  15.208     17.726  32.774     24.279  -4.8450    25.940  53.941  19.744  37.775  17.327  16.16571       26.26835 
1 1 1 8   11 41 o 48.382   17.493  24.955     18.974  18.228     25.818  32.856     27.979  46.104  19.245  53.537  20.828  -7.433529      28.35820 
1 1 1 8   11 42 o 62.844   17.462  44.947     19.849  48.945     26.836  40.119     29.494  62.301  20.910  56.609  21.549  5.692131       30.02639 
1 1 1 8   11 43 f 71.357   19.887  62.622     25.703  67.038     43.541  60.261     31.844  64.760  25.741  66.027  22.767  -1.267227      34.36506 
1 1 1 8   11 44 o 33.587   15.511  -5.2496    21.286  -23.2380   38.840  2.4725     25.448  38.727  18.741  38.584  17.491  0.1429214      25.63516 
1 1 1 8   11 45 o 28.890   13.861  -17.6741   20.183  -32.3092   31.388  -7.3570    26.354  33.188  16.235  35.729  16.752  -2.540928      23.32821 
1 1 1 8   11 46 o 46.287   17.819  24.993     20.311  39.346     23.665  -15.1599   39.581  54.593  19.560  39.365  19.018  15.22886       27.28167 
1 1 1 8   11 47 o 30.744   14.177  -3.8188    17.690  -9.1031    21.656  6.7785     30.668  31.773  14.987  40.501  18.673  -8.727671      23.94357 
1 1 1 8   12 0  o 86.484   11.466  68.127     16.888  62.200     19.953  83.099     31.713  81.576  14.541  92.222  20.249  -10.64548      24.92914 
1 1 1 8   12 1  o 142.760  12.369  184.834    30.527  154.888    37.775  241.204    51.828  128.320 17.301  159.466 18.987  -31.14554      25.68682 
1 1 1 8   12 2  o 134.680  12.418  164.765    28.874  173.686    49.678  160.214    35.483  133.048 22.164  131.252 15.800  1.796432       27.21926 
1 1 1 8   12 3  o 160.676  12.833  234.699    35.704  215.314    61.343  244.630    43.907  146.296 24.907  162.520 15.667  -16.22368      29.42431 
1 1 1 8   12 4  o 67.143   17.497  43.513     20.720  42.947     38.291  43.748     24.639  68.635  24.844  67.116  19.721  1.519150       31.72011 
1 1 1 8   12 5  o 92.907   15.252  81.009     23.883  96.110     45.240  75.173     28.121  95.977  26.242  87.919  18.882  8.058800       32.32911 
1 1 1 8   12 6  o 228.857  16.239  486.916    64.469  655.157    92.787  329.897    89.640  261.020 20.524  175.627 30.328  85.39343       36.61981 
1 1 1 8   12 7  o 102.408  19.358  102.098    33.347  152.527    49.433  59.984     45.174  122.723 23.928  77.491  27.094  45.23227       36.14809 
1 1 1 8   12 8  o 146.810  16.720  202.891    42.095  301.844    61.468  115.490    57.768  176.529 20.312  102.192 30.245  74.33694       36.43279 
1 1 1 8   12 9  o 86.192   21.601  74.921     32.445  117.927    49.479  42.479     42.974  105.262 26.839  68.894  26.062  36.36801       37.41050 
1 1 1 8   12 10 o 125.915  15.263  148.399    32.870  140.756    56.986  152.210    40.239  113.515 28.727  125.356 18.978  -11.84123      34.42913 
1 1 1 8   12 11 o 102.652  16.963  100.983    29.342  108.805    51.196  97.157     35.806  99.649  28.171  98.158  21.488  1.491028       35.43036 
1 1 1 8   12 12 o 90.422   17.815  79.666     27.127  44.777     48.754  95.311     32.647  70.562  27.482  98.036  19.755  -27.47433      33.84521 
1 1 1 8   12 13 o 128.594  12.599  152.103    27.926  139.314    39.185  165.301    39.809  118.967 19.543  130.911 17.884  -11.94417      26.49055 
1 1 1 8   12 14 o 88.908   15.134  75.276     22.652  75.607     30.509  74.870     33.816  86.363  20.533  84.930  22.459  1.433739       30.43081 
1 1 1 8   12 15 o 136.037  12.184  170.057    28.634  148.751    39.112  194.667    42.035  123.090 18.794  142.205 17.285  -19.11478      25.53349 
1 1 1 8   12 16 o 89.485   18.068  79.237     27.259  86.637     32.227  60.630     51.102  92.187  20.546  75.890  28.482  16.29733       35.11939 
1 1 1 8   12 17 o 43.750   17.549  11.602     20.422  23.941     24.029  -20.4933   38.755  52.721  19.581  44.655  20.730  8.065769       28.51560 
1 1 1 8   12 18 o 84.343   20.970  73.980     30.751  58.656     38.860  99.655     50.299  73.837  25.160  92.457  28.410  -18.61945      37.94983 
1 1 1 8   12 19 o 103.715  20.970  111.303    36.669  0.0000     0.0000  111.303    36.669  ?       ?       103.715 20.970  0.000000       20.96963 
1 1 1 8   12 20 o 51.535   20.221  20.880     26.549  0.0000     0.0000  20.880     26.549  ?       ?       51.535  20.221  0.000000       20.22133 
1 1 1 8   12 21 o 124.446  15.812  150.267    33.582  111.078    60.551  167.677    40.358  92.681  31.408  129.380 18.382  -36.69928      36.39133 
1 1 1 8   12 22 f 80.279   16.455  64.296     22.290  52.251     30.125  78.870     33.137  69.551  22.080  85.177  22.093  -15.62598      31.23537 
1 1 1 8   12 23 o 248.164  11.967  571.515    51.852  560.012    73.608  582.846    73.056  236.662 17.947  242.407 17.375  -5.745575      24.97969 
1 1 1 8   12 24 o 159.400  12.326  238.497    34.040  262.120    47.711  214.005    48.581  162.104 17.115  143.303 19.957  18.80093       26.29092 
1 1 1 8   12 25 o 160.361  13.965  247.098    38.711  253.597    47.554  234.331    66.650  158.532 17.470  137.984 28.603  20.54807       33.51591 
1 1 1 8   12 26 o 81.793   16.438  68.043     22.662  65.814     31.557  70.416     32.565  76.000  22.315  78.440  22.565  -2.440102      31.73574 
1 1 1 8   12 27 o 170.125  11.751  272.476    34.693  248.360    48.419  297.920    49.734  154.811 18.264  171.656 16.809  -16.84471      24.82144 
1 1 1 8   12 28 o 139.184  12.785  185.916    30.723  181.747    43.628  190.017    43.272  129.921 19.863  133.842 19.054  -3.920166      27.52455 
1 1 1 8   12 29 o 116.319  15.829  137.131    31.314  157.975    39.329  101.033    51.757  121.209 19.225  83.875  29.020  37.33456       34.81009 
1 1 1 8   12 30 o 144.114  14.717  207.315    36.513  233.333    45.442  159.920    61.333  148.768 17.850  102.582 31.348  46.18615       36.07380 
1 1 1 8   12 31 o 28.144   13.532  -22.1754   19.471  3.7165     24.879  -63.1063   31.280  40.593  17.920  29.970  14.936  10.62241       23.32782 
1 1 1 8   12 32 o 36.095   15.725  3.1209     18.596  7.5146     25.624  -1.7677    27.029  42.216  18.424  39.676  18.002  2.540207       25.75852 
1 1 1 8   12 33 o 43.076   17.303  15.611     19.884  13.157     26.866  18.583     29.569  44.747  19.194  47.895  20.328  -3.148106      27.95791 
1 1 1 8   12 34 o 31.764   14.570  -6.0890    18.343  1.1209     24.811  -14.7795   27.240  38.877  17.479  35.613  16.801  3.264908       24.24442 
1 1 1 8   12 35 o 57.223   18.663  38.202     21.422  32.245     25.663  51.891     38.903  52.859  20.105  61.162  24.325  -8.302624      31.55828 
1 1 1 8   12 36 f 88.095   17.163  86.122     25.452  101.481    30.517  51.025     46.131  93.060  19.409  59.261  25.278  33.79955       31.86980 
1 1 1 8   12 37 f 44.888   16.688  21.289     17.460  27.976     21.497  8.3236     29.932  49.494  18.493  42.723  19.204  6.770847       26.66087 
1 1 1 8   12 38 o 30.704   13.755  -0.7384    15.217  -10.7157   18.432  20.616     26.966  29.621  13.927  45.906  19.444  -16.28547      23.91732 
1 1 1 8   12 39 f 51.889   17.508  32.194     18.816  38.147     23.073  20.376     32.511  54.679  19.343  46.373  20.477  8.305531       28.16902 
1 1 1 8   12 40 o 40.243   17.931  9.6951     25.491  0.3849     29.606  36.375     50.118  38.939  18.090  51.443  23.772  -12.50429      29.87239 
1 1 1 8   12 41 o 41.862   18.148  15.913     24.519  -21.4042   31.291  75.272     39.465  34.384  16.682  64.554  24.842  -30.17011      29.92332 
1 1 1 8   13 0  o 34.285   13.863  5.9227     12.858  -3.0023    17.609  16.116     18.818  33.909  15.017  45.313  17.221  -11.40431      22.84894 
1 1 1 8   13 1  o 166.513  10.418  252.662    30.138  204.302    34.293  416.737    63.165  147.612 13.453  206.312 17.706  -58.70065      22.23689 
1 1 1 8   13 2  o 69.495   18.832  49.463     23.421  49.463     23.421  0.0000     0.0000  69.495  18.832  ?       ?       0.000000       18.83227 
1 1 1 8   13 3  o 57.175   15.258  32.169     15.516  32.169     15.516  0.0000     0.0000  57.175  15.258  ?       ?       0.000000       15.25812 
1 1 1 8   13 4  o 38.234   15.763  6.7300     17.018  6.7300     17.018  0.0000     0.0000  38.234  15.763  ?       ?       0.000000       15.76321 
1 1 1 8   13 5  o 91.522   16.168  82.361     24.892  110.895    30.019  19.556     44.536  106.072 16.765  57.758  24.742  48.31338       29.88709 
1 1 1 8   13 6  o 173.680  11.079  277.400    33.423  256.786    46.677  299.091    47.881  161.965 16.747  175.954 15.752  -13.98883      22.99080 
1 1 1 8   13 7  o 166.600  11.237  255.968    32.498  217.866    45.449  295.830    46.487  147.714 17.993  175.237 15.348  -27.52362      23.64955 
1 1 1 8   13 8  o 150.438  11.710  210.117    30.517  205.377    42.866  214.990    43.457  143.727 17.438  147.293 17.222  -3.565323      24.50889 
1 1 1 8   13 9  o 111.714  12.153  117.042    23.322  108.896    32.944  125.228    33.022  102.859 19.044  111.720 17.503  -8.861107      25.86577 
1 1 1 8   13 10 o 110.312  14.027  116.908    26.406  113.810    32.492  122.933    45.316  105.649 18.275  103.128 25.346  2.521034       31.24755 
1 1 1 8   13 11 o 186.364  13.566  330.224    43.842  307.769    54.228  372.597    74.495  174.575 18.051  183.617 23.795  -9.042114      29.86698 
1 1 1 8   13 12 o 48.820   17.885  21.922     19.930  44.856     25.894  -11.4026   31.214  64.592  20.468  40.991  18.877  23.60100       27.84405 
1 1 1 8   13 13 o 154.617  14.052  230.201    37.522  188.114    47.163  302.772    61.931  132.410 21.108  167.458 21.690  -35.04829      30.26611 
1 1 1 8   13 14 o 84.109   26.579  88.374     43.689  0.0000     0.0000  88.374     43.689  ?       ?       84.109  26.579  0.000000       26.57924 
1 1 1 8   13 15 o 56.633   20.387  33.221     25.736  0.0000     0.0000  33.221     25.736  ?       ?       56.633  20.387  0.000000       20.38700 
1 1 1 8   13 16 o 73.061   22.651  62.087     31.892  0.0000     0.0000  62.087     31.892  ?       ?       73.061  22.651  0.000000       22.65106 
1 1 1 8   13 17 o 110.660  16.476  124.597    30.864  114.451    48.698  131.408    39.901  93.038  27.823  108.124 21.886  -15.08628      35.39927 
1 1 1 8   13 18 f 88.255   15.675  79.093     23.270  51.486     31.658  111.538    34.321  66.190  22.708  100.782 20.207  -34.59199      30.39696 
1 1 1 8   13 19 o 61.960   17.595  41.226     19.925  28.205     26.744  57.470     29.871  53.032  20.438  69.854  21.965  -16.82259      30.00285 
1 1 1 8   13 20 o 28.193   13.200  -11.9230   16.268  -23.3602   21.287  4.1394     25.226  29.579  14.203  41.199  18.122  -11.62010      23.02427 
1 1 1 8   13 21 o 76.096   17.117  61.804     22.192  70.790     30.327  51.446     32.560  77.265  21.626  64.842  22.974  12.42213       31.55145 
1 1 1 8   13 22 o 83.289   16.247  72.780     22.780  87.532     30.664  54.613     34.029  87.282  20.474  65.781  23.468  21.50118       31.14372 
1 1 1 8   13 23 o 76.646   16.984  63.257     22.132  65.249     30.360  60.997     32.333  72.831  22.011  69.349  22.944  3.482170       31.79439 
1 1 1 8   13 24 o 53.171   18.638  31.327     21.382  56.142     31.863  10.996     28.840  66.251  22.778  44.712  19.529  21.53957       30.00353 
1 1 1 8   13 25 o 79.592   20.520  75.519     28.700  73.723     36.547  78.409     46.355  73.382  24.398  71.358  27.050  2.024818       36.42799 
1 1 1 8   13 26 o 48.342   19.140  23.918     23.987  -0.2425    30.348  64.141     39.157  41.167  18.830  66.804  24.960  -25.63667      31.26620 
1 1 1 8   13 27 f 83.033   19.836  81.889     28.364  68.808     35.608  104.601    46.920  69.865  24.076  80.766  27.646  -10.90150      36.66018 
1 1 1 8   13 28 o 87.604   20.063  92.266     30.028  77.881     38.287  115.254    48.401  72.369  24.964  83.469  28.081  -11.10011      37.57358 
1 1 1 8   13 29 o 34.284   15.703  -3.5101    21.199  27.074     32.495  -26.1704   27.970  49.939  21.256  32.807  15.883  17.13210       26.53477 
1 1 1 8   13 30 o 61.590   19.386  47.484     23.262  66.723     33.915  30.394     31.965  67.377  23.481  50.669  21.300  16.70815       31.70256 
1 1 1 8   13 31 o 54.821   20.139  39.108     25.294  39.608     28.674  37.355     53.701  54.387  21.106  53.068  24.552  1.319229       32.37700 
1 1 1 8   13 32 o 39.581   17.238  10.604     22.326  2.1822     24.796  46.679     51.320  37.541  17.113  54.213  24.677  -16.67246      30.03078 
1 1 1 8   13 33 o 49.667   19.582  31.732     25.008  27.571     28.940  44.001     49.691  47.680  20.167  52.710  24.105  -5.030037      31.42867 
1 1 1 8   13 34 o 48.672   19.755  31.109     26.215  20.834     30.795  58.153     49.960  44.786  19.845  55.023  24.764  -10.23674      31.73508 
1 1 1 8   13 35 f 106.724  19.177  144.642    34.423  138.620    41.004  159.015    63.349  93.371  24.751  74.749  30.568  18.62109       39.33165 
1 1 1 8   14 0  o 83.361   18.442  75.155     26.132  75.155     26.132  0.0000     0.0000  83.361  18.442  ?       ?       0.000000       18.44181 
1 1 1 8   14 1  o 77.571   19.629  67.261     26.608  67.261     26.608  0.0000     0.0000  77.571  19.629  ?       ?       0.000000       19.62909 
1 1 1 8   14 2  o 34.216   14.467  4.4876     14.884  8.1113     16.892  -8.0934    31.475  37.783  15.652  40.833  18.858  -3.050049      24.50757 
1 1 1 8   14 3  o 86.545   15.135  76.260     22.039  61.383     25.808  116.324    42.352  73.733  19.679  95.914  25.025  -22.18021      31.83588 
1 1 1 8   14 4  o 30.109   13.691  -5.3407    15.744  -5.3407    15.744  0.0000     0.0000  30.109  13.691  ?       ?       0.000000       13.69115 
1 1 1 8   14 5  o 111.290  13.786  122.873    26.215  96.742     30.785  191.826    50.007  93.198  19.542  126.498 23.506  -33.29984      30.56785 
1 1 1 8   14 6  o 48.855   17.725  24.363     19.505  26.212     22.992  19.615     36.842  50.560  19.078  51.094  22.198  -0.5337410     29.26969 
1 1 1 8   14 7  o 40.823   16.556  12.364     18.395  7.6811     21.046  27.521     37.862  39.867  17.041  53.862  22.936  -13.99420      28.57372 
1 1 1 8   14 8  o 105.620  18.125  121.105    32.222  74.497     42.494  184.155    49.425  72.595  26.189  122.170 24.026  -49.57470      35.53981 
1 1 1 8   14 9  o 138.947  16.795  203.859    39.919  143.826    53.772  277.565    59.582  97.769  29.236  151.246 23.310  -53.47615      37.39134 
1 1 1 8   14 10 o 91.525   19.481  95.139     30.177  73.660     37.981  131.911    49.697  73.317  24.875  94.970  28.037  -21.65276      37.48137 
1 1 1 8   14 11 o 106.517  21.531  134.935    38.668  73.115     53.717  201.417    55.706  67.851  27.993  121.697 26.928  -53.84572      38.84292 
1 1 1 8   14 12 o 43.381   18.701  11.653     25.743  46.968     35.470  -27.6562   37.422  60.238  23.446  38.620  18.617  21.61773       29.93852 
1 1 1 8   14 13 o 114.759  19.577  150.725    37.821  89.590     53.628  211.221    53.347  72.374  28.631  127.360 24.882  -54.98642      37.93160 
1 1 1 8   14 14 o 49.450   17.348  26.735     18.526  20.614     22.276  40.463     33.361  46.070  18.380  56.810  22.547  -10.73965      29.08980 
1 1 1 8   14 15 o 53.964   17.839  33.298     19.548  23.013     23.893  54.124     33.998  47.510  19.008  62.835  23.301  -15.32479      30.07034 
1 1 1 8   14 16 o 58.726   17.750  39.919     19.742  44.281     23.851  30.427     35.182  60.129  19.697  52.107  22.147  8.021381       29.63872 
1 1 1 8   14 17 o 75.844   17.807  65.985     23.178  65.570     28.510  66.794     39.806  71.279  21.282  65.930  25.049  5.348747       32.86910 
1 1 1 8   14 18 o 43.253   17.403  17.879     20.151  32.593     25.796  -5.1574    32.278  51.969  20.060  39.822  18.629  12.14663       27.37574 
1 1 1 8   14 19 o 55.638   18.944  38.049     22.029  41.330     27.990  32.708     35.709  56.055  21.071  51.823  22.176  4.231693       30.59035 
1 1 1 8   14 20 o 56.984   18.793  40.268     21.699  3.7435     27.161  104.713    36.078  39.575  17.990  86.724  23.320  -47.14924      29.45289 
1 1 1 8   14 21 o 35.487   15.507  5.5003     18.203  0.6712     24.205  11.787     27.617  36.938  16.865  42.183  18.738  -5.245361      25.21008 
1 1 1 8   14 22 o 44.369   18.954  19.412     26.010  19.412     26.010  0.0000     0.0000  44.369  18.954  ?       ?       0.000000       18.95447 
1 1 1 8   14 23 o 43.307   18.461  18.418     24.580  18.418     24.580  0.0000     0.0000  43.307  18.461  ?       ?       0.000000       18.46144 
1 1 1 8   14 24 o 58.664   21.754  51.958     29.635  51.958     29.635  0.0000     0.0000  58.664  21.754  ?       ?       0.000000       21.75408 
1 1 1 8   14 25 o 44.956   18.697  23.799     24.239  22.400     28.263  27.687     47.129  44.761  19.444  47.892  22.438  -3.131252      29.69038 
1 1 1 8   14 26 o 35.929   16.741  -0.7782    25.657  -1.9470    30.711  1.9227     46.685  37.666  17.791  42.604  20.600  -4.938225      27.21929 
1 1 1 8   15 0  o 74.772   14.027  59.318     17.640  32.438     19.702  167.957    39.609  52.007  17.910  117.071 20.101  -65.06366      26.92225 
1 1 1 8   15 1  o 36.730   14.454  11.901     13.600  6.1542     14.919  40.160     33.083  33.825  14.400  54.004  22.088  -20.17905      26.36748 
1 1 1 8   15 2  f 83.353   19.910  87.082     28.579  58.457     37.561  126.434    44.040  60.603  23.965  88.749  26.440  -28.14634      35.68483 
1 1 1 8   15 3  o 128.101  17.601  189.712    38.328  154.335    51.423  233.928    57.490  93.220  28.740  122.153 27.604  -28.93355      39.84906 
1 1 1 8   15 4  o 43.455   17.623  19.579     20.844  28.506     25.529  1.7282     36.100  48.543  19.568  41.844  19.615  6.699169       27.70629 
1 1 1 8   15 5  o 94.890   13.440  94.598     21.645  70.680     25.046  165.155    43.018  75.259  19.044  109.247 23.265  -33.98815      30.06526 
1 1 1 8   15 6  o 127.324  20.431  205.476    43.884  139.658    62.283  270.366    61.843  74.751  30.409  128.772 28.279  -54.02100      41.52584 
1 1 1 8   15 7  o 100.068  21.735  134.339    36.889  130.593    53.200  137.809    51.195  78.166  29.115  83.217  28.858  -5.050133      40.99358 
1 1 1 8   15 8  o 46.890   21.274  23.588     37.744  0.0000     0.0000  23.588     37.744  ?       ?       46.890  21.274  0.000000       21.27421 
1 1 1 8   15 9  o 57.267   24.109  58.792     41.048  0.0000     0.0000  58.792     41.048  ?       ?       57.267  24.109  0.000000       24.10857 
1 1 1 8   15 10 o 39.268   16.404  14.243     18.778  7.2924     21.908  33.491     36.457  37.296  16.621  49.111  21.686  -11.81516      27.32242 
1 1 1 9   0  0  o 39.329   17.402  19.498     12.586  19.498     12.586  19.498     12.586  39.329  17.402  39.329  17.402  0.000000       0.000000 
1 1 1 9   0  1  o 390.899  27.780  1367.19    187.411 1367.19    187.411 1367.19    187.411 390.899 27.780  390.899 27.780  0.000000       0.000000 
1 1 1 9   0  2  f 221.769  22.062  444.560    83.489  444.560    83.489  444.560    83.489  221.769 22.062  221.769 22.062  0.000000       0.000000 
1 1 1 9   0  3  o 497.882  32.444  2220.20    279.302 2220.20    279.302 2220.20    279.302 497.882 32.444  497.882 32.444  0.000000       0.000000 
1 1 1 9   0  4  o 260.151  15.681  599.080    70.637  599.080    70.637  599.080    70.637  260.151 15.681  260.151 15.681  0.000000       0.000000 
1 1 1 9   0  5  o 608.863  25.012  3277.83    264.889 3277.83    264.889 3277.83    264.889 608.863 25.012  608.863 25.012  0.000000       0.000000 
1 1 1 9   0  6  o 214.126  14.845  407.083    54.890  407.083    54.890  407.083    54.890  214.126 14.845  214.126 14.845  0.000000       0.000000 
1 1 1 9   0  7  o 1027.56  59.963  9704.58    1067.47 9704.58    1067.47 9704.58    1067.47 1027.56 59.963  1027.56 59.963  0.000000       0.000000 
1 1 1 9   0  8  o 243.955  22.637  535.896    94.517  535.896    94.517  535.896    94.517  243.955 22.637  243.955 22.637  0.000000       0.000000 
1 1 1 9   0  9  o 253.848  22.940  579.534    99.768  579.534    99.768  579.534    99.768  253.848 22.940  253.848 22.940  0.000000       0.000000 
1 1 1 9   0  10 o 32.217   18.282  11.841     15.933  11.841     15.933  11.841     15.933  32.217  18.282  32.217  18.282  0.000000       0.000000 
1 1 1 9   0  11 o 107.260  23.516  114.254    38.556  114.254    38.556  114.254    38.556  107.260 23.516  107.260 23.516  0.000000       0.000000 
1 1 1 9   0  12 o 274.407  16.126  666.055    76.654  666.055    76.654  666.055    76.654  274.407 16.126  274.407 16.126  0.000000       0.000000 
1 1 1 9   0  13 o 846.476  31.055  6346.99    457.591 6346.99    457.591 6346.99    457.591 846.476 31.055  846.476 31.055  0.000000       0.000000 
1 1 1 9   0  14 o 627.149  25.718  3475.82    280.551 3475.82    280.551 3475.82    280.551 627.149 25.718  627.149 25.718  0.000000       0.000000 
1 1 1 9   0  15 o ?        ?       -22.2473   3.0500  -22.2473   3.0500  -22.2473   3.0500  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 9   0  16 o 151.984  21.538  214.377    53.844  214.377    53.844  214.377    53.844  151.984 21.538  151.984 21.538  0.000000       0.000000 
1 1 1 9   0  17 o 575.546  35.973  2965.67    358.270 2965.67    358.270 2965.67    358.270 575.546 35.973  575.546 35.973  0.000000       0.000000 
1 1 1 9   0  18 o 441.973  19.792  1722.84    152.041 1722.84    152.041 1722.84    152.041 441.973 19.792  441.973 19.792  0.000000       0.000000 
1 1 1 9   0  19 o 447.914  20.483  1770.46    159.433 1770.46    159.433 1770.46    159.433 447.914 20.483  447.914 20.483  0.000000       0.000000 
1 1 1 9   0  20 o 260.962  16.358  603.253    73.865  603.253    73.865  603.253    73.865  260.962 16.358  260.962 16.358  0.000000       0.000000 
1 1 1 9   0  21 o 259.462  15.907  595.966    71.446  595.966    71.446  595.966    71.446  259.462 15.907  259.462 15.907  0.000000       0.000000 
1 1 1 9   0  22 o 155.196  22.945  224.733    58.186  224.733    58.186  224.733    58.186  155.196 22.945  155.196 22.945  0.000000       0.000000 
1 1 1 9   0  23 o 247.316  23.543  551.655    99.551  551.655    99.551  551.655    99.551  247.316 23.543  247.316 23.543  0.000000       0.000000 
1 1 1 9   0  24 o 234.392  23.589  497.074    94.300  497.074    94.300  497.074    94.300  234.392 23.589  234.392 23.589  0.000000       0.000000 
1 1 1 9   0  25 o 373.058  27.433  1245.45    176.475 1245.45    176.475 1245.45    176.475 373.058 27.433  373.058 27.433  0.000000       0.000000 
1 1 1 9   0  26 o 540.380  23.994  2582.52    225.379 2582.52    225.379 2582.52    225.379 540.380 23.994  540.380 23.994  0.000000       0.000000 
1 1 1 9   0  27 o 440.885  20.913  1717.82    160.170 1717.82    160.170 1717.82    160.170 440.885 20.913  440.885 20.913  0.000000       0.000000 
1 1 1 9   0  28 o 160.459  16.331  232.443    44.668  232.443    44.668  232.443    44.668  160.459 16.331  160.459 16.331  0.000000       0.000000 
1 1 1 9   0  29 o 350.656  18.598  1087.50    113.140 1087.50    113.140 1087.50    113.140 350.656 18.598  350.656 18.598  0.000000       0.000000 
1 1 1 9   0  30 o 55.462   24.505  38.891     24.959  38.891     24.959  38.891     24.959  55.462  24.505  55.462  24.505  0.000000       0.000000 
1 1 1 9   0  31 o 68.822   24.826  55.131     27.339  55.131     27.339  55.131     27.339  68.822  24.826  68.822  24.826  0.000000       0.000000 
1 1 1 9   0  32 o 321.253  17.915  913.732    99.776  913.732    99.776  913.732    99.776  321.253 17.915  321.253 17.915  0.000000       0.000000 
1 1 1 9   0  33 o 402.615  19.280  1433.19    134.830 1433.19    134.830 1433.19    134.830 402.615 19.280  402.615 19.280  0.000000       0.000000 
1 1 1 9   0  34 o 175.449  17.525  278.017    52.457  278.017    52.457  278.017    52.457  175.449 17.525  175.449 17.525  0.000000       0.000000 
1 1 1 9   0  35 o 329.337  26.315  976.159    149.100 976.159    149.100 976.159    149.100 329.337 26.315  329.337 26.315  0.000000       0.000000 
1 1 1 9   0  36 o 195.392  25.306  353.345    82.345  353.345    82.345  353.345    82.345  195.392 25.306  195.392 25.306  0.000000       0.000000 
1 1 1 9   0  37 o 27.413   19.312  -42.0486   36.489  -42.0486   36.489  -42.0486   36.489  27.413  19.312  27.413  19.312  0.000000       0.000000 
1 1 1 9   0  38 o 190.122  26.469  337.601    82.998  337.601    82.998  337.601    82.998  190.122 26.469  190.122 26.469  0.000000       0.000000 
1 1 1 9   0  39 o 41.218   26.525  1.2832     43.860  1.2832     43.860  1.2832     43.860  41.218  26.525  41.218  26.525  0.000000       0.000000 
1 1 1 9   0  40 o 189.843  28.876  341.299    89.153  341.299    89.153  341.299    89.153  189.843 28.876  189.843 28.876  0.000000       0.000000 
1 1 1 9   0  41 o 197.765  19.205  354.216    64.882  354.216    64.882  354.216    64.882  197.765 19.205  197.765 19.205  0.000000       0.000000 
1 1 1 9   0  42 o 222.614  18.627  445.890    71.236  445.890    71.236  445.890    71.236  222.614 18.627  222.614 18.627  0.000000       0.000000 
1 1 1 9   0  43 o 448.860  21.494  1796.64    167.577 1796.64    167.577 1796.64    167.577 448.860 21.494  448.860 21.494  0.000000       0.000000 
1 1 1 9   0  44 o 92.120   28.921  94.722     40.842  94.722     40.842  94.722     40.842  92.120  28.921  92.120  28.921  0.000000       0.000000 
1 1 1 9   0  45 o 178.893  18.822  292.277    57.303  292.277    57.303  292.277    57.303  178.893 18.822  178.893 18.822  0.000000       0.000000 
1 1 1 9   0  46 o 351.483  19.187  1105.53    116.952 1105.53    116.952 1105.53    116.952 351.483 19.187  351.483 19.187  0.000000       0.000000 
1 1 1 9   0  47 o 50.662   30.930  22.759     51.830  22.759     51.830  22.759     51.830  50.662  30.930  50.662  30.930  0.000000       0.000000 
1 1 1 9   0  48 o 44.683   28.443  7.9930     48.778  7.9930     48.778  7.9930     48.778  44.683  28.443  44.683  28.443  0.000000       0.000000 
1 1 1 9   0  49 o 73.463   36.273  74.918     55.800  74.918     55.800  74.918     55.800  73.463  36.273  73.463  36.273  0.000000       0.000000 
1 1 1 9   0  50 o 53.186   27.819  38.131     33.928  38.131     33.928  38.131     33.928  53.186  27.819  53.186  27.819  0.000000       0.000000 
1 1 1 9   0  51 o 51.472   27.524  35.617     33.806  35.617     33.806  35.617     33.806  51.472  27.524  51.472  27.524  0.000000       0.000000 
1 1 1 9   0  52 o 64.190   29.577  55.807     36.423  55.807     36.423  55.807     36.423  64.190  29.577  64.190  29.577  0.000000       0.000000 
1 1 1 9   0  53 o 109.111  26.833  126.619    44.267  126.619    44.267  126.619    44.267  109.111 26.833  109.111 26.833  0.000000       0.000000 
1 1 1 9   0  54 o 47.898   26.977  30.278     34.348  30.278     34.348  30.278     34.348  47.898  26.977  47.898  26.977  0.000000       0.000000 
1 1 1 9   0  55 o 106.564  25.980  121.476    41.882  121.476    41.882  121.476    41.882  106.564 25.980  106.564 25.980  0.000000       0.000000 
1 1 1 9   0  56 o 21.885   15.706  -44.3175   28.556  -44.3175   28.556  -44.3175   28.556  21.885  15.706  21.885  15.706  0.000000       0.000000 
1 1 1 9   0  57 o 189.656  19.464  341.676    62.900  341.676    62.900  341.676    62.900  189.656 19.464  189.656 19.464  0.000000       0.000000 
1 1 1 9   0  58 o 33.152   22.501  -13.6699   39.163  -13.6699   39.163  -13.6699   39.163  33.152  22.501  33.152  22.501  0.000000       0.000000 
1 1 1 9   0  59 o 50.704   29.924  36.506     45.369  36.506     45.369  36.506     45.369  50.704  29.924  50.704  29.924  0.000000       0.000000 
1 1 1 9   0  60 o 48.987   30.222  31.121     50.654  31.121     50.654  31.121     50.654  48.987  30.222  48.987  30.222  0.000000       0.000000 
1 1 1 9   0  61 o 27.341   18.898  -18.4255   30.577  -18.4255   30.577  -18.4255   30.577  27.341  18.898  27.341  18.898  0.000000       0.000000 
1 1 1 9   0  62 o 159.402  21.480  257.546    56.730  257.546    56.730  257.546    56.730  159.402 21.480  159.402 21.480  0.000000       0.000000 
1 1 1 9   0  63 o 35.293   22.801  7.7124     32.843  7.7124     32.843  7.7124     32.843  35.293  22.801  35.293  22.801  0.000000       0.000000 
1 1 1 9   0  64 o 94.731   25.581  105.593    36.570  105.593    36.570  105.593    36.570  94.731  25.581  94.731  25.581  0.000000       0.000000 
1 1 1 9   0  65 o 38.119   24.462  14.342     36.989  14.342     36.989  14.342     36.989  38.119  24.462  38.119  24.462  0.000000       0.000000 
1 1 1 9   0  66 o 25.226   17.378  -12.1833   25.347  -12.1833   25.347  -12.1833   25.347  25.226  17.378  25.226  17.378  0.000000       0.000000 
1 1 1 9   1  0  o 583.218  17.422  2995.92    177.413 2982.17    250.869 3009.67    250.931 579.268 24.803  581.978 24.694  -2.710327      34.99950 
1 1 1 9   1  1  o 436.726  14.261  1675.08    108.749 1531.42    153.735 1818.96    153.855 415.553 21.259  453.949 19.411  -38.39603      28.78739 
1 1 1 9   1  2  o 532.566  19.137  2502.76    177.958 2462.82    308.215 2522.74    217.959 521.341 34.046  533.283 23.408  -11.94159      41.31603 
1 1 1 9   1  3  o 127.328  13.682  143.933    29.941  183.325    42.523  105.201    42.165  143.257 17.354  106.919 23.248  36.33823       29.01117 
1 1 1 9   1  4  o 526.046  23.412  2454.63    215.044 2429.71    304.149 2479.54    304.087 517.963 33.815  523.475 33.444  -5.512024      47.56005 
1 1 1 9   1  5  o 800.926  33.065  5778.71    462.405 5884.62    653.973 5672.82    653.904 794.313 47.368  778.841 48.323  15.47205       67.66697 
1 1 1 9   1  6  o 466.079  21.110  1921.03    171.795 1921.03    171.795 0.0000     0.0000  466.079 21.110  ?       ?       0.000000       21.10998 
1 1 1 9   1  7  o 462.349  20.965  1889.82    169.247 1889.82    169.247 0.0000     0.0000  462.349 20.965  ?       ?       0.000000       20.96469 
1 1 1 9   1  8  o 123.522  13.883  135.596    29.424  135.596    29.424  0.0000     0.0000  123.522 13.883  ?       ?       0.000000       13.88303 
1 1 1 9   1  9  o 543.408  19.028  2604.54    180.540 2620.09    312.606 2596.76    221.150 538.406 33.418  541.183 23.403  -2.777405      40.79775 
1 1 1 9   1  10 o 504.165  18.053  2239.56    158.923 2193.35    275.078 2262.71    194.706 493.134 32.122  505.629 22.054  -12.49551      38.96417 
1 1 1 9   1  11 o 1008.72  32.199  9143.66    567.122 8683.18    982.213 9373.95    694.604 949.530 59.544  1014.39 39.217  -64.86145      71.29804 
1 1 1 9   1  12 o 197.730  11.134  343.602    38.284  385.858    65.920  322.096    47.027  208.471 18.294  191.016 14.202  17.45518       23.15960 
1 1 1 9   1  13 o 291.721  11.393  745.685    58.033  723.961    82.047  767.435    82.095  286.407 16.476  294.998 15.998  -8.590759      22.96497 
1 1 1 9   1  14 o 213.179  10.318  397.944    38.407  387.985    54.278  407.930    54.353  209.633 14.926  215.035 14.562  -5.401749      20.85282 
1 1 1 9   1  15 o 464.420  14.190  1893.71    115.067 1867.58    162.660 1919.89    162.798 459.859 20.258  466.323 19.994  -6.464417      28.46295 
1 1 1 9   1  16 o 613.852  17.702  3319.07    189.740 3257.12    268.267 3381.08    268.399 605.277 25.383  616.890 24.918  -11.61230      35.56992 
1 1 1 9   1  17 o 337.233  11.917  996.903    70.171  979.435    99.209  1014.39    99.265  333.124 17.114  339.511 16.745  -6.386902      23.94324 
1 1 1 9   1  18 o 115.951  9.6281  118.497    19.317  113.178    27.279  123.845    27.357  112.659 14.182  118.034 13.518  -5.374786      19.59221 
1 1 1 9   1  19 o 206.241  9.9070  372.415    35.676  443.530    50.901  303.742    50.019  224.464 13.043  185.222 15.611  39.24210       20.34326 
1 1 1 9   1  20 f 595.912  20.570  3139.25    214.037 3041.68    370.817 3188.00    262.107 577.605 36.961  598.718 25.072  -21.11279      44.66280 
1 1 1 9   1  21 o 386.710  15.675  1315.30    105.841 1342.22    183.222 1301.81    129.663 386.859 27.300  383.490 19.428  3.369385       33.50682 
1 1 1 9   1  22 o 249.285  12.916  546.774    56.028  643.403    98.443  500.477    68.141  268.819 21.144  237.868 16.508  30.95120       26.82498 
1 1 1 9   1  23 o 498.709  21.463  2203.11    186.895 2580.50    265.163 1830.54    263.464 536.136 28.427  448.657 33.881  87.47906       44.22702 
1 1 1 9   1  24 o 161.046  15.464  230.245    42.949  305.451    63.735  167.688    58.129  184.793 20.076  135.049 25.588  49.74332       32.52330 
1 1 1 9   1  25 o 402.252  15.418  1423.93    108.293 1580.28    133.283 1120.21    185.768 423.141 18.040  351.520 30.571  71.62082       35.49624 
1 1 1 9   1  26 f 380.603  15.357  1275.00    102.058 1350.61    125.466 1127.14    175.461 391.042 18.376  353.246 28.695  37.79654       34.07468 
1 1 1 9   1  27 o 257.647  11.333  582.199    50.982  648.153    73.661  521.553    70.634  270.851 15.642  242.640 16.775  28.21124       22.93645 
1 1 1 9   1  28 o 592.703  17.339  3101.04    179.447 3465.71    254.243 2739.04    253.311 623.806 23.342  553.134 26.228  70.67255       35.11039 
1 1 1 9   1  29 o 370.581  12.943  1206.65    83.748  1368.50    119.186 1048.80    117.702 393.656 17.340  343.513 19.706  50.14304       26.24882 
1 1 1 9   1  30 o 349.611  12.719  1073.98    77.642  1183.10    110.662 968.190    108.962 365.942 17.319  330.128 18.983  35.81400       25.69634 
1 1 1 9   1  31 o 238.499  11.519  499.335    47.968  551.310    69.065  450.899    66.673  249.488 15.937  225.276 17.077  24.21251       23.35863 
1 1 1 9   1  32 o 199.733  11.244  351.286    39.055  392.314    56.648  314.118    53.918  210.327 15.535  187.854 16.609  22.47313       22.74194 
1 1 1 9   1  33 o 140.533  11.987  174.786    29.132  185.202    41.791  164.940    40.630  143.750 16.978  135.413 17.600  8.337036       24.45419 
1 1 1 9   1  34 o 303.379  14.421  811.541    76.389  802.056    93.848  830.161    131.497 300.269 17.983  302.886 25.090  -2.616791      30.86901 
1 1 1 9   1  35 o 173.880  16.963  270.223    50.844  309.464    71.379  229.804    72.441  184.631 22.614  157.258 27.377  27.37344       35.50878 
1 1 1 9   1  36 o 103.581  21.821  99.476     38.221  92.830     52.898  106.734    55.285  99.686  28.784  106.410 28.974  -6.724792      40.84144 
1 1 1 9   1  37 o 169.618  17.794  258.354    51.914  261.133    72.464  255.423    74.408  168.178 25.475  165.908 26.583  2.270706       36.81878 
1 1 1 9   1  38 f 45.208   19.322  -0.0777    27.051  49.413     46.523  -25.3566   33.250  77.736  27.471  42.037  19.403  35.69928       33.63261 
1 1 1 9   1  39 o 358.876  13.860  1138.58    86.847  1167.00    123.314 1110.60    122.333 360.571 19.661  351.552 20.012  9.019165       28.05406 
1 1 1 9   1  40 o ?        ?       -305.6914  17.750  -363.6192  24.723  -244.0663  25.499  ?       ?       ?       ?       0.000000       ?        
1 1 1 9   1  41 o 87.256   19.035  70.828     28.186  61.264     42.083  78.607     37.957  81.978  26.105  91.257  23.633  -9.278969      35.21388 
1 1 1 9   1  42 o 330.437  13.406  967.701    77.347  863.359    109.423 1071.90    109.346 308.483 20.431  345.165 18.208  -36.68161      27.36653 
1 1 1 9   1  43 o 457.249  15.291  1864.87    122.079 1847.86    172.693 1881.85    172.599 450.103 21.974  454.419 21.753  -4.315735      30.91970 
1 1 1 9   1  44 o 197.155  12.482  346.098    42.748  283.948    60.548  407.865    60.361  175.735 20.093  212.648 16.383  -36.91304      25.92579 
1 1 1 9   1  45 o 128.753  14.035  149.628    31.041  144.123    43.723  155.222    44.075  123.933 20.952  129.003 20.233  -5.069862      29.12639 
1 1 1 9   1  46 o 176.393  14.786  281.081    45.121  241.587    53.858  374.056    82.635  161.442 19.501  198.394 24.367  -36.95244      31.20962 
1 1 1 9   1  47 o 146.290  20.111  200.750    50.011  106.975    71.309  291.521    70.157  102.243 34.085  174.618 23.616  -72.37453      41.46682 
1 1 1 9   1  48 o 52.461   22.180  6.8100     34.982  6.1395     50.282  7.4391     48.700  60.701  26.151  60.298  25.852  0.4030266      36.77265 
1 1 1 9   1  49 o 124.669  31.067  164.832    67.383  164.832    67.383  0.0000     0.0000  124.669 31.067  ?       ?       0.000000       31.06706 
1 1 1 9   1  50 o 85.094   18.058  69.606     25.999  60.300     35.129  80.879     38.662  77.870  23.709  89.408  24.182  -11.53828      33.86546 
1 1 1 9   1  51 o 251.054  12.638  571.656    55.222  510.538    77.638  634.240    78.563  231.458 19.389  260.206 17.392  -28.74767      26.04636 
1 1 1 9   1  52 o 122.507  14.517  139.688    30.448  116.120    43.038  163.305    43.083  106.255 23.790  129.453 19.680  -23.19808      30.87467 
1 1 1 9   1  53 f 144.641  15.350  196.698    38.174  200.116    64.557  194.860    47.337  135.299 28.239  140.774 19.806  -5.474899      34.49221 
1 1 1 9   1  54 o 60.739   21.851  34.862     29.560  35.926     56.476  34.460     34.692  68.092  28.447  61.773  23.405  6.319019       36.83803 
1 1 1 9   1  55 o 174.713  15.557  291.213    46.963  180.065    84.543  340.815    56.478  113.134 37.084  187.046 17.496  -73.91215      41.00436 
1 1 1 9   1  56 o 122.339  15.315  144.422    31.999  106.405    44.547  184.949    45.993  96.314  25.919  134.195 20.260  -37.88184      32.89732 
1 1 1 9   1  57 o 132.931  16.855  175.335    38.244  232.420    63.058  142.121    48.099  142.061 26.393  111.412 25.302  30.64885       36.56238 
1 1 1 9   1  58 o 39.767   18.178  -8.4304    28.219  -19.5634   40.785  1.7931     39.084  44.395  20.823  48.820  21.945  -4.424812      30.25144 
1 1 1 9   1  59 o 73.189   23.719  63.783     34.625  59.667     49.578  67.702     48.379  69.239  27.485  72.424  27.591  -3.184929      38.94460 
1 1 1 9   1  60 o 50.521   22.638  9.6119     41.245  0.0000     0.0000  9.6119     41.245  ?       ?       50.521  22.638  0.000000       22.63808 
1 1 1 9   1  61 o 53.662   20.057  30.634     25.291  12.685     30.938  66.792     43.909  46.968  20.373  69.967  26.374  -22.99884      33.32630 
1 1 1 9   1  62 o 66.436   19.889  51.505     24.876  68.636     33.050  29.117     37.782  73.408  23.108  54.081  22.968  19.32693       32.58063 
1 1 1 9   1  63 o 41.907   17.619  12.234     21.876  21.430     29.517  1.0284     32.584  48.637  20.458  42.749  19.538  5.888771       28.28896 
1 1 1 9   1  64 o 45.040   18.680  18.139     24.101  5.6642     29.198  44.813     42.696  42.075  18.935  57.635  24.443  -15.56014      30.91889 
1 1 1 9   1  65 o 50.435   19.661  29.913     24.971  37.173     30.249  14.379     44.244  53.914  21.447  48.130  22.274  5.784309       30.92114 
1 1 1 9   1  66 o 62.555   19.707  50.592     24.031  31.872     32.174  74.212     36.141  50.494  21.305  68.731  24.221  -18.23713      32.25774 
1 1 1 9   2  0  o 449.735  16.949  1779.62    133.095 1762.35    163.036 1814.12    230.444 446.646 20.905  449.649 29.515  -3.003082      36.16891 
1 1 1 9   2  1  o 193.969  11.737  330.902    39.564  329.670    48.556  333.334    68.246  193.234 14.497  193.237 20.542  -0.3128052E-02 25.14198 
1 1 1 9   2  2  o 253.287  12.640  562.545    55.900  570.583    68.537  546.571    96.613  254.348 15.507  247.498 22.606  6.850586       27.41308 
1 1 1 9   2  3  o 460.226  17.208  1864.18    138.277 1876.47    169.393 1839.64    239.396 460.819 21.052  452.360 30.487  8.458313       37.04919 
1 1 1 9   2  4  o 268.288  10.875  630.443    50.944  581.421    71.928  679.787    72.164  256.651 16.133  277.797 14.932  -21.14566      21.98276 
1 1 1 9   2  5  o 139.429  9.4981  170.929    22.986  165.713    32.255  176.311    32.764  136.745 13.693  141.124 13.460  -4.379486      19.20046 
1 1 1 9   2  6  o 487.785  15.539  2091.08    132.350 2080.92    187.152 2101.25    187.191 484.962 22.102  487.355 21.998  -2.393127      31.18295 
1 1 1 9   2  7  o 180.797  9.9793  287.023    31.381  283.251    44.403  290.786    44.356  179.054 14.322  181.466 14.110  -2.412521      20.10525 
1 1 1 9   2  8  f 875.606  27.831  6836.98    425.496 7868.77    737.063 6321.25    521.095 923.028 45.733  836.299 35.686  86.72833       58.00811 
1 1 1 9   2  9  o 227.234  21.774  460.728    85.335  0.0000     0.0000  460.728    85.335  ?       ?       227.234 21.774  0.000000       21.77424 
1 1 1 9   2  10 o 466.447  16.993  1914.71    138.403 1974.69    239.693 1884.71    169.518 469.140 29.410  461.806 21.023  7.334595       36.15106 
1 1 1 9   2  11 o 616.301  25.712  3376.96    276.687 3070.29    391.038 3684.44    391.552 579.849 38.847  637.810 35.296  -57.96069      52.48738 
1 1 1 9   2  12 o 290.180  15.824  742.414    79.874  626.649    112.151 861.573    113.783 264.625 24.552  311.546 21.040  -46.92090      32.33388 
1 1 1 9   2  13 f 253.382  15.706  566.487    69.145  533.693    96.993  600.378    98.599  244.417 22.998  259.608 21.958  -15.19099      31.79656 
1 1 1 9   2  14 o 310.911  13.652  848.360    74.114  864.946    90.603  814.815    128.848 313.110 16.632  301.975 24.652  11.13504       29.73774 
1 1 1 9   2  15 o 118.727  9.8804  124.251    20.297  154.649    29.563  97.148     27.915  132.152 12.979  103.951 15.884  28.20193       20.51273 
1 1 1 9   2  16 o 197.097  9.4612  340.020    32.560  428.307    46.962  258.288    45.185  220.687 12.235  170.758 15.317  49.92819       19.60418 
1 1 1 9   2  17 o 521.268  15.483  2388.62    140.922 2680.53    199.497 2097.90    199.090 550.700 20.747  486.364 23.444  64.33636       31.30575 
1 1 1 9   2  18 o 251.247  12.005  553.436    52.665  626.505    92.623  518.527    64.021  265.576 20.124  242.420 15.202  23.15605       25.22009 
1 1 1 9   2  19 o 225.581  11.802  447.312    46.325  509.464    81.992  418.170    56.145  239.385 19.794  217.644 14.863  21.74049       24.75275 
1 1 1 9   2  20 o 598.971  19.331  3167.78    202.172 3686.36    350.930 2910.16    247.343 640.278 31.390  572.042 24.763  68.23608       39.98182 
1 1 1 9   2  21 o 390.355  15.177  1339.85    103.443 1730.22    180.350 1148.45    126.280 440.805 23.517  359.876 20.178  80.92953       30.98686 
1 1 1 9   2  22 o 210.093  12.678  388.719    46.288  395.768    81.047  385.306    56.390  210.095 22.440  208.704 15.587  1.391205       27.32238 
1 1 1 9   2  23 o 112.813  13.854  113.457    26.716  101.861    31.463  143.424    50.577  106.110 17.598  124.986 24.049  -18.87625      29.80001 
1 1 1 9   2  24 o 389.168  15.295  1332.68    103.934 1376.15    127.322 1245.88    179.937 394.754 18.472  371.937 27.910  22.81754       33.46951 
1 1 1 9   2  25 o 489.466  17.412  2113.62    148.808 2198.33    182.333 1944.65    257.516 498.010 20.968  462.776 32.067  35.23441       38.31387 
1 1 1 9   2  26 o 430.829  16.503  1636.28    124.145 1532.33    151.758 1846.58    215.846 415.174 21.003  453.086 27.413  -37.91196      34.53343 
1 1 1 9   2  27 o 302.781  12.217  804.796    64.589  786.736    91.450  822.771    91.235  297.971 17.656  304.851 17.210  -6.880371      24.65603 
1 1 1 9   2  28 o 92.128   14.078  76.341     21.927  55.246     31.679  95.742     30.380  77.844  22.213  102.723 17.569  -24.87935      28.32180 
1 1 1 9   2  29 o 263.339  11.529  608.639    53.012  651.046    75.697  567.823    74.263  271.227 16.055  253.044 16.905  18.18265       23.31444 
1 1 1 9   2  30 o 515.421  16.117  2344.34    145.044 2353.80    205.200 2334.89    205.047 513.684 22.878  511.580 22.955  2.103973       32.40889 
1 1 1 9   2  31 o 103.154  13.156  95.076     23.156  108.959    34.641  83.862     31.134  109.401 18.813  95.583  19.319  13.81775       26.96600 
1 1 1 9   2  32 o 307.650  12.147  831.854    65.251  903.549    93.272  763.132    91.317  319.242 16.792  292.995 17.936  26.24796       24.56967 
1 1 1 9   2  33 o 298.407  14.424  785.133    75.157  762.038    92.403  830.274    129.188 292.605 18.176  303.117 24.622  -10.51196      30.60369 
1 1 1 9   2  34 o 120.756  16.457  131.316    33.795  144.262    42.330  108.557    56.125  125.846 19.928  107.418 29.171  18.42786       35.32758 
1 1 1 9   2  35 o 83.073   23.686  63.655     36.033  50.411     51.353  76.500     50.572  79.965  28.797  91.613  28.544  -11.64819      40.54641 
1 1 1 9   2  36 o 250.345  17.424  559.112    75.690  555.730    107.221 562.471    106.863 246.736 25.243  248.352 24.982  -1.615433      35.51504 
1 1 1 9   2  37 o ?        ?       -82.4772   19.442  -175.0795  41.468  -56.3876   22.011  ?       ?       25.186  12.548  0.000000       12.54783 
1 1 1 9   2  38 o 286.511  14.967  728.957    74.615  681.688    91.185  824.748    129.807 275.592 19.067  300.436 24.971  -24.84409      31.41803 
1 1 1 9   2  39 o 326.047  13.112  939.240    74.644  1009.33    105.720 869.562    105.406 335.743 18.101  310.927 19.514  24.81589       26.61662 
1 1 1 9   2  40 f 99.796   16.824  91.080     28.272  94.168     40.422  88.122     39.559  99.882  23.559  96.597  23.645  3.285706       33.37861 
1 1 1 9   2  41 o 88.734   17.065  72.613     25.479  68.273     36.539  76.721     35.547  85.152  23.703  90.144  22.621  -4.992294      32.76503 
1 1 1 9   2  42 o 65.171   20.771  38.069     26.637  21.961     32.334  72.086     46.987  58.383  22.480  87.765  27.541  -29.38184      35.55098 
1 1 1 9   2  43 o 265.583  14.097  629.695    65.138  547.061    79.013  804.998    115.084 245.493 18.570  295.552 22.469  -50.05925      29.14987 
1 1 1 9   2  44 o 230.470  13.827  475.201    55.383  410.296    67.656  607.039    96.425  212.082 18.454  256.228 21.758  -44.14624      28.53031 
1 1 1 9   2  45 o 114.342  14.005  118.536    27.377  135.810    39.811  103.037    37.709  120.546 19.586  104.009 21.476  16.53719       29.06589 
1 1 1 9   2  46 o 330.593  28.003  1063.87    160.127 0.0000     0.0000  1063.87    160.127 ?       ?       330.593 28.003  0.000000       28.00328 
1 1 1 9   2  47 o 74.212   22.364  52.806     31.376  40.196     45.665  64.083     43.182  70.892  26.854  81.436  26.494  -10.54335      37.72400 
1 1 1 9   2  48 o 120.981  19.768  139.318    40.316  127.195    56.509  151.884    57.536  110.778 28.908  122.014 27.646  -11.23612      39.99989 
1 1 1 9   2  49 f 51.449   19.152  20.410     23.014  14.516     41.228  23.078     27.738  58.213  24.312  55.250  20.929  2.962864       32.07940 
1 1 1 9   2  50 o 45.206   17.434  13.822     19.472  35.865     27.772  -7.4915    27.309  62.311  21.270  41.348  18.482  20.96354       28.17757 
1 1 1 9   2  51 o 168.059  12.166  256.747    35.459  242.621    49.757  271.324    50.545  159.553 18.185  169.445 17.327  -9.892136      25.11859 
1 1 1 9   2  52 o 37.352   16.061  0.9985     18.892  6.3039     26.910  -4.1576    26.529  45.900  19.432  41.515  18.407  4.385220       26.76584 
1 1 1 9   2  53 o 77.766   16.913  59.249     22.311  31.528     32.857  82.966     30.392  60.050  22.771  90.821  19.729  -30.77074      30.12947 
1 1 1 9   2  54 o 74.925   17.643  56.063     22.700  46.716     32.353  65.127     31.858  67.431  22.957  78.496  22.233  -11.06566      31.95883 
1 1 1 9   2  55 o 74.582   18.727  56.967     24.353  84.244     33.118  24.854     35.934  89.175  21.517  56.897  23.116  32.27821       31.58075 
1 1 1 9   2  56 o 53.518   19.050  27.425     22.411  23.144     29.640  33.140     34.245  53.353  21.228  59.376  23.059  -6.022652      31.34218 
1 1 1 9   2  57 o 54.848   20.762  28.570     27.285  8.1533     43.020  42.310     35.292  52.552  23.363  63.118  23.674  -10.56577      33.26061 
1 1 1 9   2  58 o 89.943   23.150  93.260     36.570  98.746     51.495  87.678     51.945  85.616  28.964  80.637  28.971  4.979538       40.96609 
1 1 1 9   2  59 o 66.855   23.112  52.746     32.825  42.263     46.594  63.077     46.252  62.240  25.907  69.981  26.902  -7.741081      37.34806 
1 1 1 9   2  60 o 53.599   20.055  30.079     25.299  12.339     31.018  65.332     43.725  47.119  20.419  69.952  26.328  -22.83282      33.31848 
1 1 1 9   2  61 o 52.441   19.965  29.081     25.319  3.1601     31.071  80.314     43.683  43.480  19.553  75.302  26.618  -31.82233      33.02819 
1 1 1 9   2  62 o 33.479   15.410  -7.0414    20.767  -22.6271   28.019  11.957     30.935  34.387  16.454  45.777  20.103  -11.38999      25.97834 
1 1 1 9   2  63 o 70.937   18.654  58.349     23.412  62.849     32.791  53.669     33.437  68.324  23.113  63.132  23.161  5.191887       32.72059 
1 1 1 9   2  64 o 40.434   17.414  10.275     22.279  13.718     28.708  5.0616     35.328  44.300  19.413  43.879  20.161  0.4210854      27.98777 
1 1 1 9   2  65 o 69.124   20.176  61.237     25.866  59.859     33.707  63.211     40.338  63.492  23.260  62.470  24.793  1.022579       33.99609 
1 1 1 9   2  66 o 45.276   18.504  22.664     23.196  30.606     30.025  10.909     36.531  49.336  20.686  43.978  20.313  5.358181       28.99207 
1 1 1 9   3  0  o 236.020  12.337  489.547    50.664  469.531    61.896  530.186    88.196  230.693 15.455  244.206 20.885  -13.51318      25.98141 
1 1 1 9   3  1  o 546.100  16.202  2621.31    154.495 2435.09    218.447 2807.67    218.531 524.280 23.863  563.510 22.210  -39.22974      32.59933 
1 1 1 9   3  2  o 188.435  9.4110  310.712    30.964  298.490    43.732  322.999    43.848  183.951 13.714  191.463 13.196  -7.511917      19.03223 
1 1 1 9   3  3  o 212.132  10.318  393.963    38.217  409.628    54.011  378.257    54.082  215.545 14.434  206.995 15.067  8.550018       20.86524 
1 1 1 9   3  4  o 210.527  10.064  387.978    36.994  349.212    52.233  426.995    52.402  198.828 15.160  220.189 13.698  -21.36122      20.43135 
1 1 1 9   3  5  o 347.443  12.020  1057.96    72.923  1009.00    103.051 1107.06    103.206 338.139 17.514  354.790 16.660  -16.65018      24.17212 
1 1 1 9   3  6  o 217.149  10.074  412.787    38.198  381.059    53.823  444.983    54.219  207.774 14.935  224.764 13.883  -16.98936      20.39157 
1 1 1 9   3  7  o 112.765  9.2967  112.024    18.142  114.332    25.452  109.642    25.866  113.433 13.091  110.967 13.637  2.466469       18.90293 
1 1 1 9   3  8  o 348.512  12.273  1064.70    74.684  1060.73    105.738 1068.66    105.502 346.703 17.523  348.457 17.340  -1.754486      24.65248 
1 1 1 9   3  9  o 543.726  15.975  2598.94    151.668 2686.61    214.602 2511.45    214.380 551.021 22.305  532.512 23.056  18.50891       32.07981 
1 1 1 9   3  10 o 397.253  13.264  1384.40    92.001  1487.03    130.334 1282.46    129.886 410.851 18.168  380.779 19.602  30.07224       26.72682 
1 1 1 9   3  11 o 440.325  16.569  1705.54    127.386 1857.77    220.734 1629.53    155.982 455.630 27.880  429.470 20.801  26.15930       34.78433 
1 1 1 9   3  12 o 374.282  15.056  1230.74    98.393  1302.43    170.418 1194.89    120.508 381.925 25.704  367.672 18.834  14.25320       31.86619 
1 1 1 9   3  13 o 170.491  11.059  255.701    32.745  337.378    58.678  218.763    39.460  194.995 17.418  157.170 14.544  37.82491       22.69125 
1 1 1 9   3  14 o 74.752   11.602  50.118     14.653  86.246     30.498  39.276     16.707  97.327  18.625  65.574  14.927  31.75331       23.86841 
1 1 1 9   3  15 o 584.067  23.670  3026.45    241.395 0.0000     0.0000  3026.45    241.395 ?       ?       584.067 23.670  0.000000       23.67029 
1 1 1 9   3  16 o 194.119  13.199  332.164    44.470  0.0000     0.0000  332.164    44.470  ?       ?       194.119 13.199  0.000000       13.19858 
1 1 1 9   3  17 o 420.491  20.221  1562.50    148.468 1566.05    209.972 1558.96    209.959 417.393 28.990  416.414 29.059  0.9785461      41.04707 
1 1 1 9   3  18 o 323.515  17.771  925.242    99.999  900.035    141.564 950.348    141.277 316.888 25.809  325.930 25.016  -9.042053      35.94289 
1 1 1 9   3  19 o 520.272  23.337  2403.33    212.000 2355.70    299.852 2450.94    299.775 509.385 33.907  520.035 33.187  -10.65039      47.44538 
1 1 1 9   3  20 o 180.030  10.682  284.979    33.429  336.270    62.533  264.456    39.556  194.315 18.660  173.069 13.189  21.24579       22.85059 
1 1 1 9   3  21 o 383.273  13.473  1290.12    90.164  1250.06    127.535 1330.16    127.487 375.567 19.515  388.084 18.814  -12.51721      27.10738 
1 1 1 9   3  22 o 505.785  16.004  2252.70    141.334 2309.13    199.959 2196.36    199.795 509.968 22.456  497.150 23.016  12.81870       32.15630 
1 1 1 9   3  23 o 274.664  13.446  662.752    64.486  640.096    78.928  708.242    111.838 268.931 16.894  281.378 22.964  -12.44635      28.50861 
1 1 1 9   3  24 o 380.125  15.576  1272.41    103.379 1313.12    126.718 1191.40    178.761 385.395 18.831  363.205 28.414  22.18961       34.08752 
1 1 1 9   3  25 o 204.257  12.723  367.802    45.152  351.466    55.219  400.761    78.433  199.079 16.021  211.413 21.549  -12.33415      26.85177 
1 1 1 9   3  26 o 267.685  11.653  628.814    54.466  633.616    76.765  623.946    77.290  267.518 16.515  265.406 16.764  2.111969       23.53276 
1 1 1 9   3  27 o 463.582  15.194  1893.35    122.985 1824.91    173.859 1961.91    173.995 452.890 21.986  469.889 21.207  -16.99857      30.54681 
1 1 1 9   3  28 f 320.925  12.191  904.659    68.315  774.264    96.101  1037.87    97.132  295.109 18.747  342.941 16.221  -47.83176      24.79090 
1 1 1 9   3  29 o 153.108  11.099  206.799    29.470  166.147    40.353  253.261    43.141  136.014 17.390  168.906 14.776  -32.89215      22.81972 
1 1 1 9   3  30 o 90.900   14.261  74.499     21.889  88.459     30.048  58.713     31.952  98.441  18.150  79.919  22.137  18.52193       28.62634 
1 1 1 9   3  31 o 136.463  12.034  164.923    28.380  200.085    39.739  128.325    40.543  149.792 15.414  118.523 20.322  31.26948       25.50621 
1 1 1 9   3  32 o 244.705  13.561  529.083    57.717  508.472    70.556  570.772    100.346 239.058 17.014  251.429 23.116  -12.37155      28.70256 
1 1 1 9   3  33 o 184.644  13.658  302.121    43.720  268.998    53.305  370.197    76.418  173.226 17.881  202.298 21.988  -29.07138      28.34094 
1 1 1 9   3  34 o 297.410  17.869  788.446    92.365  709.997    130.627 866.888    130.621 278.398 27.220  309.229 24.390  -30.83115      36.54881 
1 1 1 9   3  35 o 303.283  25.702  839.208    134.828 839.208    134.828 0.0000     0.0000  303.283 25.702  ?       ?       0.000000       25.70241 
1 1 1 9   3  36 o ?        ?       -201.8170  14.289  -140.1729  15.048  -767.4322  45.581  ?       ?       ?       ?       0.000000       ?        
1 1 1 9   3  37 o 554.243  20.033  2753.66    193.872 3055.59    336.215 2603.25    237.296 569.297 33.978  534.659 25.419  34.63837       42.43373 
1 1 1 9   3  38 o 213.474  12.657  403.797    46.966  399.345    67.574  407.958    65.324  210.521 18.574  213.090 17.717  -2.569458      25.66874 
1 1 1 9   3  39 o 32.450   15.144  -19.6338   21.126  -27.1081   31.886  -13.7855   28.206  40.317  18.745  41.039  18.526  -0.7221947     26.35522 
1 1 1 9   3  40 o 116.074  14.624  121.536    28.981  141.393    41.568  102.756    40.425  123.798 19.905  104.341 22.824  19.45760       30.28414 
1 1 1 9   3  41 o 286.981  12.298  729.131    61.624  729.886    87.739  728.396    86.572  284.498 17.751  284.320 17.524  0.1776733      24.94360 
1 1 1 9   3  42 o 229.636  11.820  468.168    47.232  441.582    67.468  493.721    66.145  220.754 17.651  234.117 16.282  -13.36354      24.01408 
1 1 1 9   3  43 o 91.612   15.556  77.209     23.994  97.577     35.127  59.392     32.853  101.680 20.493  79.090  22.639  22.59044       30.53708 
1 1 1 9   3  44 o 26.021   12.526  -24.8164   16.810  -30.0055   23.000  -18.8668   24.628  31.267  14.946  35.913  16.620  -4.646526      22.35171 
1 1 1 9   3  45 o 226.246  16.897  467.371    66.269  436.994    93.131  498.526    94.316  212.910 25.563  228.810 23.963  -15.89992      35.03808 
1 1 1 9   3  46 o 60.390   20.797  31.986     26.568  31.382     36.875  32.638     38.311  63.826  24.143  64.959  24.599  -1.132435      34.46720 
1 1 1 9   3  47 o 89.636   20.243  77.860     30.933  70.952     42.989  85.278     44.545  84.345  26.323  91.768  26.390  -7.422691      37.27319 
1 1 1 9   3  48 o 188.834  16.741  330.882    54.626  343.343    74.882  316.707    79.864  187.335 23.403  177.150 26.644  10.18396       35.46306 
1 1 1 9   3  49 o 156.572  11.677  221.632    31.693  212.271    43.866  231.854    45.840  150.388 17.004  157.262 16.962  -6.874588      24.01765 
1 1 1 9   3  50 o 120.692  12.726  133.561    26.415  142.631    36.115  123.128    38.735  122.358 17.394  111.712 20.618  10.64614       26.97491 
1 1 1 9   3  51 o 141.953  12.192  184.346    29.925  209.342    41.179  156.371    43.563  148.910 16.093  125.572 20.582  23.33842       26.12674 
1 1 1 9   3  52 o 67.871   17.644  45.660     21.103  50.837     27.662  38.452     32.640  70.599  20.937  63.502  22.945  7.097275       31.06214 
1 1 1 9   3  53 o 80.375   16.229  63.222     21.991  83.671     29.494  37.620     33.001  91.021  19.164  62.569  23.001  28.45264       29.93801 
1 1 1 9   3  54 f 50.141   17.826  22.980     19.617  36.339     25.169  2.3040     31.313  60.149  20.250  46.122  20.241  14.02694       28.63144 
1 1 1 9   3  55 o 133.600  12.720  167.721    29.314  163.782    39.589  172.502    43.615  127.424 18.320  129.261 19.968  -1.837234      27.09873 
1 1 1 9   3  56 o 162.127  14.522  253.668    40.675  291.491    68.810  233.354    50.428  159.441 25.582  149.678 19.780  9.763000       32.33678 
1 1 1 9   3  57 f 62.285   20.664  42.254     26.221  54.527     43.142  35.065     33.020  67.907  26.011  58.602  22.674  9.304886       34.50645 
1 1 1 9   3  58 o 42.441   19.100  -0.9043    29.715  -25.5120   37.276  41.991     49.215  40.498  19.266  62.450  26.350  -21.95248      32.64226 
1 1 1 9   3  59 o 40.249   17.192  7.2536     21.390  3.6496     23.613  23.736     50.497  40.059  17.579  56.347  25.163  -16.28777      30.69491 
1 1 1 9   3  60 o 37.519   16.500  2.5268     20.903  -8.0836    22.916  55.098     51.008  35.035  16.149  64.124  26.929  -29.08949      31.39983 
1 1 1 9   3  61 o 56.494   18.655  36.205     21.380  41.057     27.074  28.165     34.849  58.631  20.931  52.796  22.219  5.835072       30.52561 
1 1 1 9   3  62 o 39.740   17.290  7.3473     22.417  12.433     30.994  1.7695     32.460  45.355  20.013  42.607  19.484  2.748486       27.93080 
1 1 1 9   3  63 o 39.494   17.289  7.4842     22.718  -3.7676    31.146  20.276     33.209  39.914  18.547  47.913  20.940  -7.998749      27.97325 
1 1 1 9   3  64 o 68.156   22.531  65.544     31.183  75.843     36.748  39.051     58.939  70.219  24.444  54.171  25.286  16.04779       35.16914 
1 1 1 9   3  65 o 74.505   19.887  71.386     26.354  83.063     37.366  59.826     37.176  71.577  24.664  60.587  23.879  10.99002       34.32929 
1 1 1 9   4  0  o 306.627  13.341  824.511    71.425  767.784    87.338  939.065    124.110 294.996 17.028  325.277 21.981  -30.28134      27.80522 
1 1 1 9   4  1  o 506.647  17.893  2259.27    158.286 2143.61    193.769 2491.26    274.415 492.341 22.540  527.420 29.921  -35.07858      37.46122 
1 1 1 9   4  2  o 353.962  11.956  1097.84    73.891  1056.80    104.402 1139.02    104.595 346.598 17.251  359.924 16.643  -13.32574      23.97081 
1 1 1 9   4  3  o 325.179  12.159  926.700    69.038  855.860    97.574  997.717    97.696  311.285 18.029  336.853 16.610  -25.56857      24.51421 
1 1 1 9   4  4  o 455.067  13.815  1816.98    109.773 1790.73    155.300 1843.19    155.186 450.602 19.739  457.225 19.438  -6.622894      27.70308 
1 1 1 9   4  5  o 324.967  10.543  924.677    59.822  906.979    84.680  942.310    84.521  321.347 15.092  327.587 14.777  -6.239929      21.12141 
1 1 1 9   4  6  o 641.261  17.557  3619.69    196.587 3488.24    278.013 3751.15    278.019 626.710 25.406  650.292 24.485  -23.58167      35.28435 
1 1 1 9   4  7  o 196.135  8.4698  336.499    29.006  335.957    41.201  337.033    40.843  195.406 12.135  195.735 12.009  -0.3293610     17.07269 
1 1 1 9   4  8  o 71.287   11.585  45.666     13.925  56.374     21.889  38.385     18.048  78.617  16.473  64.811  16.036  13.80676       22.98964 
1 1 1 9   4  9  o 174.406  10.771  267.418    32.641  287.985    58.002  257.885    39.487  179.802 18.751  170.937 13.336  8.865311       23.00953 
1 1 1 9   4  10 o 378.834  17.572  1263.81    116.236 0.0000     0.0000  1263.81    116.236 ?       ?       378.834 17.572  0.000000       17.57233 
1 1 1 9   4  11 o 176.846  12.868  275.758    39.464  0.0000     0.0000  275.758    39.464  ?       ?       176.846 12.868  0.000000       12.86845 
1 1 1 9   4  12 o 527.656  23.052  2468.11    212.381 0.0000     0.0000  2468.11    212.381 ?       ?       527.656 23.052  0.000000       23.05163 
1 1 1 9   4  13 o 414.847  19.079  1518.58    138.203 0.0000     0.0000  1518.58    138.203 ?       ?       414.847 19.079  0.000000       19.07949 
1 1 1 9   4  14 o 125.632  11.581  139.510    25.117  159.515    45.319  130.641    30.176  132.917 20.160  121.087 14.565  11.82919       24.87050 
1 1 1 9   4  15 o 623.844  20.995  3443.60    228.699 3850.27    396.490 3240.84    279.966 651.144 35.002  602.773 26.600  48.37109       43.96253 
1 1 1 9   4  16 o 322.547  13.518  913.477    76.131  1074.87    132.926 834.691    92.872  347.588 22.016  307.277 17.381  40.31116       28.04975 
1 1 1 9   4  17 o 100.062  10.658  88.714     18.335  98.135     27.760  81.425     24.419  104.478 15.703  95.060  15.226  9.417221       21.87250 
1 1 1 9   4  18 o 313.371  11.895  861.322    65.086  912.289    92.529  811.408    91.569  321.401 16.544  302.876 17.388  18.52512       24.00089 
1 1 1 9   4  19 o 147.445  11.022  191.628    28.170  276.798    51.174  154.598    33.743  176.443 16.814  131.753 14.931  44.69083       22.48663 
1 1 1 9   4  20 o 360.740  15.063  1145.02    94.879  1102.93    164.116 1166.16    116.280 350.065 27.060  362.908 18.411  -12.84344      32.72903 
1 1 1 9   4  21 o 124.155  13.086  136.866    27.942  166.861    47.466  120.959    34.566  135.747 20.679  115.791 17.655  19.95683       27.19071 
1 1 1 9   4  22 o 187.525  12.429  310.075    40.467  291.895    49.484  346.782    70.313  181.359 15.784  196.712 20.786  -15.35283      26.09970 
1 1 1 9   4  23 o 148.239  12.718  194.411    32.600  178.491    39.541  228.199    57.604  141.367 16.319  158.984 21.285  -17.61745      26.82093 
1 1 1 9   4  24 o 316.361  14.162  880.611    78.232  832.020    95.488  979.811    136.437 306.289 17.933  330.578 23.796  -24.28827      29.79695 
1 1 1 9   4  25 o 280.371  13.509  691.337    66.135  654.080    80.828  766.805    115.037 271.589 17.132  292.508 22.701  -20.91925      28.44073 
1 1 1 9   4  26 o 283.164  11.815  704.115    58.417  708.404    82.101  699.717    83.136  282.729 16.705  280.903 17.030  1.825989       23.85567 
1 1 1 9   4  27 o 185.949  10.616  304.328    34.325  279.478    47.594  331.262    49.549  177.332 15.528  193.321 14.791  -15.98904      21.44499 
1 1 1 9   4  28 o 474.192  15.271  1983.93    126.439 1901.99    178.480 2066.48    179.147 461.632 22.143  481.570 21.305  -19.93784      30.72808 
1 1 1 9   4  29 o 244.912  11.171  526.773    47.771  467.591    66.627  589.385    68.531  229.313 16.756  257.958 15.283  -28.64520      22.67928 
1 1 1 9   4  30 o 340.124  14.607  1020.74    86.749  965.678    105.799 1133.69    151.542 329.294 18.475  354.237 24.654  -24.94281      30.80856 
1 1 1 9   4  31 o 130.800  13.522  152.361    30.438  121.548    35.944  230.465    57.226  115.611 18.424  159.337 21.087  -43.72591      28.00191 
1 1 1 9   4  32 o 106.308  15.447  101.969    27.834  124.106    32.657  43.190     53.214  117.273 16.397  77.605  29.077  39.66791       33.38160 
1 1 1 9   4  33 o 53.534   18.739  22.806     21.610  13.300     24.579  55.181     45.359  49.618  19.461  80.153  27.184  -30.53513      33.43167 
1 1 1 9   4  34 o ?        ?       -340.3816  14.291  0.0000     0.0000  -340.3816  14.291  ?       ?       ?       ?       0.000000       ?        
1 1 1 9   4  35 o 470.026  17.781  1969.55    145.929 1673.87    250.956 2120.60    179.372 420.378 34.494  485.633 21.154  -65.25421      40.46341 
1 1 1 9   4  36 o ?        ?       -115.0861  22.801  -48.6216   30.918  -194.3345  33.761  34.685  16.769  ?       ?       0.000000       16.76945 
1 1 1 9   4  37 o 28.606   13.639  -24.5087   18.898  -46.0003   26.439  -2.0605    27.021  31.198  15.182  44.243  19.115  -13.04524      24.41092 
1 1 1 9   4  38 o 86.908   16.311  69.478     23.842  67.383     30.782  72.619     37.694  84.681  20.937  87.648  23.949  -2.966858      31.81081 
1 1 1 9   4  39 o 48.585   18.042  16.760     20.399  6.7314     25.826  33.397     33.264  46.945  19.393  64.594  23.186  -17.64846      30.22660 
1 1 1 9   4  40 o 384.845  13.564  1317.03    91.147  1204.10    127.550 1434.88    130.298 363.491 20.176  398.413 18.730  -34.92261      27.52970 
1 1 1 9   4  41 o 134.913  12.446  162.951    28.989  141.949    38.523  190.372    44.018  124.019 18.343  144.138 17.873  -20.11860      25.61129 
1 1 1 9   4  42 o 230.813  11.382  472.591    45.871  414.674    63.184  537.137    66.702  213.491 17.093  243.853 15.750  -30.36194      23.24299 
1 1 1 9   4  43 o 153.256  11.903  210.257    31.601  142.278    42.377  295.412    47.430  122.769 20.491  180.508 15.190  -57.73898      25.50704 
1 1 1 9   4  44 o 227.350  16.081  471.305    63.424  372.048    85.967  589.864    93.954  195.461 25.821  250.240 21.718  -54.77936      33.74019 
1 1 1 9   4  45 o 31.850   14.842  -17.2591   20.174  -20.9324   23.417  -6.6848    39.731  33.938  15.873  50.831  22.532  -16.89348      27.56174 
1 1 1 9   4  46 o 44.606   18.082  9.4739     21.932  -3.1339    28.435  27.987     34.458  43.991  19.298  60.716  23.249  -16.72454      30.21412 
1 1 1 9   4  47 o 29.953   13.909  -13.8878   17.464  -0.9571    23.736  -29.1513   25.788  40.974  17.809  33.733  16.041  7.240723       23.96830 
1 1 1 9   4  48 o 252.972  11.591  576.508    51.197  600.056    71.283  551.419    73.579  253.999 16.157  242.158 17.520  11.84164       23.83266 
1 1 1 9   4  49 o 61.017   18.367  36.119     21.170  38.423     27.036  32.467     34.037  63.171  20.984  61.546  23.215  1.625526       31.29358 
1 1 1 9   4  50 o 50.205   17.549  22.433     18.950  29.587     24.375  11.502     30.130  56.695  19.898  49.882  20.804  6.812824       28.78767 
1 1 1 9   4  51 o 105.503  13.643  104.443    24.544  75.816     32.426  142.846    37.557  85.297  21.715  120.467 18.442  -35.17070      28.48949 
1 1 1 9   4  52 o 31.317   14.303  -8.8002    17.425  -7.2673    22.456  -11.1194   27.623  36.577  16.519  39.401  18.001  -2.824440      24.43191 
1 1 1 9   4  53 o 131.069  12.820  161.077    28.963  170.206    38.824  149.620    43.494  131.170 17.379  119.152 21.705  12.01873       27.80566 
1 1 1 9   4  54 o 204.878  11.919  390.687    42.455  410.750    57.812  367.203    62.548  204.694 16.311  189.679 19.148  15.01443       25.15295 
1 1 1 9   4  55 o 57.924   20.432  34.738     25.723  79.919     41.972  7.5593     32.553  80.790  26.107  47.526  20.753  33.26452       33.35070 
1 1 1 9   4  56 o 50.999   19.688  24.023     24.852  48.338     40.613  9.4688     31.421  64.840  25.130  47.144  20.491  17.69551       32.42526 
1 1 1 9   4  57 o 118.600  22.708  161.842    45.311  154.378    57.662  173.891    73.263  104.705 30.000  101.541 34.547  3.163780       45.75439 
1 1 1 9   4  58 o 34.097   15.497  -5.1274    20.144  -7.9305    21.996  9.4433     50.149  34.567  15.892  52.485  24.081  -17.91794      28.85204 
1 1 1 9   4  59 f 65.139   20.034  49.583     25.006  34.060     28.051  109.669    55.187  55.149  21.009  82.201  29.815  -27.05174      36.47405 
1 1 1 9   4  60 o 31.909   14.813  -9.1820    19.792  -13.5699   21.635  13.329     49.003  32.020  15.066  51.204  23.607  -19.18336      28.00441 
1 1 1 9   4  61 o 79.393   19.311  74.066     26.513  70.708     36.518  77.809     38.556  70.419  24.376  73.005  25.059  -2.586021      34.95900 
1 1 1 9   4  62 o 65.157   20.138  53.508     25.230  51.224     34.679  56.077     36.773  60.074  23.239  61.749  23.918  -1.674374      33.34868 
1 1 1 9   4  63 o 48.081   20.040  26.007     27.932  45.329     32.712  -25.9921   53.664  56.504  22.358  42.882  21.029  13.62233       30.69412 
1 1 1 9   4  64 o 39.171   17.669  6.6469     25.600  14.843     30.442  -13.1522   47.314  43.452  19.461  41.995  20.407  1.456947       28.19901 
1 1 1 9   5  0  o 241.560  15.655  514.818    65.674  511.404    92.510  518.286    93.248  239.451 22.386  241.066 22.410  -1.615356      31.67557 
1 1 1 9   5  1  o 511.784  20.987  2313.50    187.542 1861.27    264.845 2768.32    265.604 453.800 33.664  557.612 27.280  -103.8123      43.32986 
1 1 1 9   5  2  o 252.698  11.644  559.527    51.375  389.387    88.179  646.960    63.212  208.087 24.755  271.572 13.331  -63.48512      28.11617 
1 1 1 9   5  3  o 107.686  10.555  102.514    19.591  54.589     32.955  128.708    24.364  77.822  22.791  120.631 11.715  -42.80885      25.62553 
1 1 1 9   5  4  o 619.122  19.758  3382.61    213.590 2538.20    369.605 3806.00    261.716 526.007 40.555  655.539 22.865  -129.5319      46.55679 
1 1 1 9   5  5  o 536.630  18.638  2538.62    174.637 2089.60    302.229 2763.69    213.975 479.174 36.395  558.877 21.927  -79.70258      42.48969 
1 1 1 9   5  6  o 393.954  14.809  1363.42    101.870 1090.32    176.083 1500.81    124.893 348.041 29.246  412.855 17.325  -64.81418      33.99269 
1 1 1 9   5  7  o 193.015  11.269  327.546    37.814  250.593    64.704  367.459    46.599  166.693 22.831  204.232 13.137  -37.53969      26.34056 
1 1 1 9   5  8  o 283.355  13.176  704.543    65.190  632.075    113.006 740.687    79.809  265.632 24.645  289.784 15.833  -24.15244      29.29287 
1 1 1 9   5  9  o 134.119  11.596  158.838    26.888  141.618    47.891  166.764    32.493  124.514 22.871  137.145 13.754  -12.63142      26.68830 
1 1 1 9   5  10 f 156.483  11.491  215.783    31.176  214.960    55.988  216.153    37.534  154.452 21.330  156.283 13.900  -1.830765      25.45903 
1 1 1 9   5  11 o 187.425  11.198  308.965    36.479  307.916    64.928  309.448    44.097  185.537 20.377  187.249 13.580  -1.712051      24.48780 
1 1 1 9   5  12 o 531.164  18.397  2489.59    170.620 2575.36    295.909 2446.87    208.829 533.722 31.899  525.103 22.776  8.618286       39.19553 
1 1 1 9   5  13 o 549.682  15.432  2658.23    148.112 2646.33    209.516 2670.11    209.409 546.309 21.964  548.801 21.853  -2.491821      30.98375 
1 1 1 9   5  14 o 279.583  10.655  684.986    52.017  723.778    73.879  646.850    73.252  286.516 14.818  270.679 15.564  15.83719       21.49026 
1 1 1 9   5  15 o 127.422  10.034  143.106    22.143  141.212    31.420  144.976    31.210  125.908 14.561  127.651 14.246  -1.742439      20.37039 
1 1 1 9   5  16 o 139.562  9.6722  171.407    23.424  180.575    33.305  162.431    32.952  142.740 13.524  135.209 14.168  7.530945       19.58675 
1 1 1 9   5  17 o 249.615  10.784  546.215    47.003  576.829    66.484  515.624    66.460  255.602 14.962  241.444 15.853  14.15868       21.79819 
1 1 1 9   5  18 o 378.081  12.933  1255.57    85.378  1234.24    120.653 1276.96    120.832 373.676 18.492  380.161 18.203  -6.484558      25.94819 
1 1 1 9   5  19 o 156.317  10.232  215.069    27.774  193.569    38.574  238.214    40.022  147.504 15.195  163.979 14.116  -16.47472      20.73945 
1 1 1 9   5  20 o 242.434  12.847  517.809    54.188  534.602    66.449  484.474    93.624  245.831 15.561  232.018 23.431  13.81270       28.12765 
1 1 1 9   5  21 f 144.477  12.002  184.523    30.003  179.059    36.930  195.131    51.460  141.781 15.152  146.902 20.631  -5.120956      25.59719 
1 1 1 9   5  22 f 356.586  14.896  1120.25    92.748  1138.92    113.663 1083.04    160.449 358.296 18.228  346.205 26.750  12.09109       32.37031 
1 1 1 9   5  23 f 209.910  12.384  388.519    45.189  364.465    55.480  435.934    77.892  202.648 15.804  220.603 20.454  -17.95483      25.84895 
1 1 1 9   5  24 o 53.344   17.935  23.639     19.743  21.486     30.310  25.225     26.019  57.683  21.872  57.441  20.518  0.2416649      29.98904 
1 1 1 9   5  25 o 241.317  13.012  513.822    54.624  461.342    93.379  541.123    67.350  225.710 24.065  247.081 15.693  -21.37097      28.72930 
1 1 1 9   5  26 o 57.235   20.894  23.942     27.164  -3.0342    34.592  67.335     43.872  50.069  21.630  86.210  26.541  -36.14085      34.23852 
1 1 1 9   5  27 o 309.845  17.253  853.213    92.970  752.257    129.165 961.743    133.923 287.636 25.999  326.560 23.647  -38.92340      35.14455 
1 1 1 9   5  28 o 108.294  17.556  106.576    32.061  106.576    32.061  0.0000     0.0000  108.294 17.556  ?       ?       0.000000       17.55644 
1 1 1 9   5  29 o 258.341  16.576  593.869    74.378  593.869    74.378  0.0000     0.0000  258.341 16.576  ?       ?       0.000000       16.57617 
1 1 1 9   5  30 o 359.717  18.905  1156.32    118.326 1156.32    118.326 0.0000     0.0000  359.717 18.905  ?       ?       0.000000       18.90520 
1 1 1 9   5  31 o 125.207  17.469  141.975    37.151  259.928    42.205  -263.8942  78.290  170.898 14.275  42.317  21.417  128.5811       25.73808 
1 1 1 9   5  32 f 414.362  20.978  1546.04    151.285 1645.76    212.768 1444.07    215.150 421.748 29.070  392.931 31.627  28.81708       42.95749 
1 1 1 9   5  33 o 194.033  14.475  335.296    48.687  275.315    78.320  373.072    62.155  171.458 27.058  203.786 17.642  -32.32787      32.30157 
1 1 1 9   5  34 o ?        ?       -96.6434   14.831  -120.8585  19.116  -60.0322   23.505  ?       ?       26.009  12.959  0.000000       12.95942 
1 1 1 9   5  35 o 50.499   19.400  15.938     24.043  10.388     33.596  21.765     34.423  54.073  22.203  59.549  23.120  -5.475925      32.05527 
1 1 1 9   5  36 o 117.941  13.279  124.806    26.871  113.558    35.058  140.823    41.834  110.950 18.766  123.402 20.108  -12.45226      27.50446 
1 1 1 9   5  37 o 223.920  11.333  444.224    44.164  397.062    60.592  497.677    64.506  209.874 16.672  235.471 15.780  -25.59659      22.95588 
1 1 1 9   5  38 o 152.281  11.843  206.623    31.241  207.344    41.397  205.670    47.616  151.343 15.903  149.761 18.610  1.581680       24.47989 
1 1 1 9   5  39 o 45.891   17.129  14.853     18.433  12.993     22.808  18.357     31.298  47.722  18.737  55.735  21.928  -8.013680      28.84289 
1 1 1 9   5  40 o 254.287  11.588  574.281    51.453  518.738    71.130  635.245    74.520  238.718 17.180  264.869 16.191  -26.15097      23.60699 
1 1 1 9   5  41 f 183.932  11.338  301.847    36.235  283.991    49.447  322.558    53.253  176.409 16.235  188.015 16.385  -11.60651      23.06654 
1 1 1 9   5  42 o 142.805  14.220  185.353    34.986  124.097    53.128  232.259    46.490  110.746 27.579  158.718 17.042  -47.97182      32.41986 
1 1 1 9   5  43 o 93.754   21.357  85.701     34.180  69.609     40.838  123.338    62.457  83.714  25.579  107.958 31.307  -24.24401      40.42756 
1 1 1 9   5  44 o 53.015   20.457  19.691     26.820  8.2018     30.601  57.759     55.702  49.870  20.896  79.362  29.746  -29.49186      36.35209 
1 1 1 9   5  45 o 144.636  17.717  197.274    43.808  189.917    57.023  207.870    68.435  137.354 24.684  140.554 28.852  -3.200256      37.96976 
1 1 1 9   5  46 o 114.935  16.428  124.708    32.031  142.055    48.035  110.818    42.982  118.100 24.110  103.953 24.143  14.14658       34.11979 
1 1 1 9   5  47 o 43.677   17.359  11.418     19.799  7.8297     23.945  19.174     35.203  44.658  18.579  56.012  22.832  -11.35342      29.43609 
1 1 1 9   5  48 o 160.435  12.237  235.782    34.022  183.091    44.605  309.075    52.607  136.685 19.220  180.120 16.926  -43.43539      25.61059 
1 1 1 9   5  49 o 101.389  15.165  98.061     26.022  105.195    33.277  86.834     41.750  102.557 19.291  88.929  25.541  13.62749       32.00755 
1 1 1 9   5  50 o 23.857   11.696  -30.4430   16.561  -36.3497   19.094  -12.5055   33.273  25.249  12.415  42.966  19.677  -17.71630      23.26589 
1 1 1 9   5  51 o 179.242  12.088  297.928    37.611  299.358    50.861  296.202    55.870  174.984 16.855  171.704 18.951  3.279770       25.36196 
1 1 1 9   5  52 o 86.137   16.773  74.479     24.319  48.047     31.288  114.821    38.653  66.586  22.577  102.871 22.173  -36.28419      31.64385 
1 1 1 9   5  53 o 45.676   17.793  16.735     20.441  -0.1752    25.422  47.662     34.380  40.694  18.032  65.521  23.566  -24.82761      29.67304 
1 1 1 9   5  54 o 68.118   22.079  52.847     30.002  34.411     46.066  66.427     39.536  60.381  25.486  73.550  25.368  -13.16894      35.95959 
1 1 1 9   5  55 o 154.241  15.319  237.491    40.710  209.707    66.242  254.352    51.605  122.565 30.947  153.758 19.673  -31.19290      36.67104 
1 1 1 9   5  56 o 72.074   23.434  64.511     33.785  43.779     44.930  91.485     51.249  61.311  25.473  78.720  28.704  -17.40903      38.37754 
1 1 1 9   5  57 o 63.107   19.750  45.979     24.182  50.480     27.876  32.291     48.610  64.855  21.296  57.044  25.122  7.811329       32.93390 
1 1 1 9   5  58 o 108.182  16.547  124.278    30.263  124.003    35.502  125.010    57.883  103.519 20.367  85.107  30.581  18.41209       36.74269 
1 1 1 9   5  59 o 32.083   14.567  -3.5599    17.736  -1.1062    19.435  -15.7847   43.381  34.368  15.459  43.015  20.552  -8.647224      25.71735 
1 1 1 9   5  60 o 55.489   19.438  37.408     23.257  50.664     25.644  -23.9928   55.193  63.299  20.402  44.761  21.816  18.53848       29.86924 
1 1 1 9   5  61 f 98.352   17.849  111.319    29.523  107.732    43.758  114.317    39.999  81.000  26.686  88.288  24.880  -7.288689      36.48473 
1 1 1 9   5  62 o 26.241   12.565  -15.1623   16.404  -13.2358   20.848  -18.2936   26.580  30.443  14.461  32.960  15.838  -2.516699      21.44690 
1 1 1 9   6  0  o 423.581  15.920  1578.12    117.747 1462.72    144.085 1810.12    204.300 406.861 20.282  450.128 26.106  -43.26733      33.05870 
1 1 1 9   6  1  o 511.906  16.045  2305.36    143.416 2301.12    202.860 2309.60    202.781 509.457 22.805  510.413 22.753  -0.9559937     32.21441 
1 1 1 9   6  2  o 353.669  12.559  1097.22    77.555  1112.68    109.804 1081.83    109.555 355.322 17.698  349.858 17.995  5.463898       25.23988 
1 1 1 9   6  3  o 640.467  19.024  3620.90    212.751 3418.68    300.866 3823.15    300.883 618.453 27.861  654.838 26.315  -36.38464      38.32406 
1 1 1 9   6  4  o 478.680  15.176  2014.77    126.846 2012.45    179.407 2017.07    179.369 476.684 21.555  477.240 21.525  -0.5560608     30.46226 
1 1 1 9   6  5  o 310.920  11.412  847.448    61.954  866.551    87.718  828.434    87.515  313.371 16.086  306.313 16.422  7.057587       22.98786 
1 1 1 9   6  6  o 401.594  13.464  1416.20    94.413  1486.69    133.596 1345.88    133.444 410.378 18.644  389.741 19.673  20.63696       27.10398 
1 1 1 9   6  7  o 583.838  17.565  3005.85    179.062 2822.06    253.158 3189.85    253.306 562.484 25.776  598.755 24.229  -36.27057      35.37588 
1 1 1 9   6  8  o 74.480   10.774  49.614     13.604  43.033     19.325  56.078     19.153  68.546  16.371  78.652  14.480  -10.10672      21.85632 
1 1 1 9   6  9  o 498.705  17.812  2194.63    155.101 2400.94    269.162 2092.08    189.777 515.807 30.015  485.418 22.391  30.38879       37.44681 
1 1 1 9   6  10 o 66.765   17.768  40.718     21.078  48.673     33.133  35.310     27.319  74.170  23.103  64.348  21.080  9.821609       31.27495 
1 1 1 9   6  11 o 261.092  11.612  597.971    52.936  777.842    93.282  512.533    64.290  296.244 18.121  240.817 15.370  55.42722       23.76116 
1 1 1 9   6  12 o 240.716  10.173  507.762    42.756  557.457    60.791  459.115    60.146  251.439 13.901  227.878 15.204  23.56104       20.60034 
1 1 1 9   6  13 o 289.493  11.080  734.979    56.005  761.116    79.522  709.256    78.889  293.549 15.570  283.247 16.017  10.30176       22.33751 
1 1 1 9   6  14 o 179.157  9.8178  282.078    30.595  295.181    43.743  269.530    42.808  182.708 13.814  174.481 14.174  8.227219       19.79171 
1 1 1 9   6  15 o 151.609  9.8125  202.254    25.836  188.698    37.234  214.840    35.879  145.658 14.848  155.777 13.319  -10.11847      19.94635 
1 1 1 9   6  16 o 667.639  19.242  3949.02    224.308 4217.25    317.321 3681.14    317.118 685.468 26.512  639.122 28.417  46.34656       38.86410 
1 1 1 9   6  17 o 352.460  11.321  1090.27    69.673  1203.26    98.889  978.890    98.181  369.468 15.329  332.471 16.969  36.99722       22.86748 
1 1 1 9   6  18 o 247.750  11.195  538.715    48.427  519.960    67.645  558.432    69.359  242.204 16.087  251.083 15.903  -8.878525      22.62034 
1 1 1 9   6  19 o 208.400  10.702  382.051    38.811  340.169    53.722  427.775    56.133  195.698 15.858  219.840 14.708  -24.14183      21.62895 
1 1 1 9   6  20 o 312.986  13.902  862.711    75.973  818.198    92.629  954.197    132.795 303.540 17.552  325.770 23.504  -22.23004      29.33417 
1 1 1 9   6  21 o 126.614  12.677  142.388    27.650  138.917    32.930  150.685    50.910  124.520 15.480  127.809 23.685  -3.289330      28.29467 
1 1 1 9   6  22 o 167.679  15.186  250.184    43.978  250.184    43.978  0.0000     0.0000  167.679 15.186  ?       ?       0.000000       15.18560 
1 1 1 9   6  23 o 197.756  13.072  345.851    44.882  342.756    53.716  353.009    81.691  196.289 15.807  196.807 24.288  -0.5180817     28.97824 
1 1 1 9   6  24 o 500.355  18.362  2224.80    160.419 2189.37    196.014 2296.68    279.167 494.053 22.722  498.461 32.248  -4.407867      39.44909 
1 1 1 9   6  25 o 408.338  15.845  1476.01    112.973 1440.30    137.496 1550.20    198.197 401.908 19.593  411.870 27.721  -9.961884      33.94606 
1 1 1 9   6  26 o 77.437   18.776  55.514     25.124  53.693     28.676  61.532     52.118  76.238  20.913  84.838  29.134  -8.599808      35.86290 
1 1 1 9   6  27 o 138.193  15.856  171.402    37.566  208.141    43.165  56.711     76.269  152.293 16.497  90.010  34.559  62.28265       38.29439 
1 1 1 9   6  28 o 112.933  17.117  115.860    32.695  12.093     37.503  444.475    66.739  57.458  23.511  222.856 17.286  -165.3982      29.18159 
1 1 1 9   6  29 o 552.714  17.128  2720.81    165.303 2881.25    233.552 2559.76    233.997 563.682 23.729  529.968 25.287  33.71417       34.67728 
1 1 1 9   6  30 o ?        ?       -692.6418  13.960  -708.7579  14.773  -558.1447  42.676  ?       ?       ?       ?       0.000000       ?        
1 1 1 9   6  31 o 162.532  14.453  236.139    40.590  195.102    67.428  259.460    50.831  143.074 27.993  169.570 17.415  -26.49608      32.96849 
1 1 1 9   6  32 o 69.578   21.132  44.274     27.934  9.9261     42.173  71.122     37.285  59.103  24.628  86.789  23.862  -27.68559      34.29217 
1 1 1 9   6  33 o 109.695  16.318  109.739    30.303  140.983    49.835  91.410     38.170  121.998 24.249  98.228  22.709  23.76979       33.22200 
1 1 1 9   6  34 o 75.079   17.966  52.712     23.238  45.494     27.252  71.947     44.487  70.084  20.780  87.230  26.704  -17.14671      33.83715 
1 1 1 9   6  35 o 63.319   18.835  36.927     22.361  45.284     25.366  7.7926     47.361  69.632  19.880  60.859  25.773  8.772552       32.54940 
1 1 1 9   6  36 o 174.940  13.103  273.990    39.733  265.690    47.014  294.735    74.329  171.258 15.904  176.120 24.862  -4.862152      29.51342 
1 1 1 9   6  37 o 143.055  11.747  182.990    29.084  161.894    38.416  211.317    44.516  132.788 16.956  151.906 17.080  -19.11810      24.06678 
1 1 1 9   6  38 o 247.207  11.369  543.318    49.075  473.733    67.729  620.233    71.207  227.665 17.164  261.603 15.661  -33.93808      23.23513 
1 1 1 9   6  39 o 175.104  11.393  274.205    34.645  251.478    46.732  301.940    51.625  165.572 16.379  181.505 16.469  -15.93318      23.22713 
1 1 1 9   6  40 f 138.648  13.902  174.961    33.202  144.727    53.185  194.266    42.500  120.054 26.115  144.688 17.157  -24.63432      31.24666 
1 1 1 9   6  41 o 182.075  16.174  305.848    50.885  261.218    69.638  356.977    74.537  162.018 25.456  192.096 22.658  -30.07840      34.07911 
1 1 1 9   6  42 o 112.230  18.109  119.848    34.278  121.887    46.762  117.479    50.395  109.410 25.022  106.163 27.095  3.246445       36.88150 
1 1 1 9   6  43 o 63.747   20.780  38.757     26.559  5.0684     33.699  93.991     43.150  50.173  21.508  95.087  25.476  -44.91329      33.34083 
1 1 1 9   6  44 o 120.753  18.389  140.537    37.548  142.332    49.784  138.169    57.183  117.033 25.114  112.293 28.972  4.740631       38.34178 
1 1 1 9   6  45 o 41.567   16.326  10.943     17.320  5.7633     22.381  18.676     27.346  42.438  17.830  51.823  20.463  -9.385487      27.14117 
1 1 1 9   6  46 o 141.809  12.256  184.921    30.049  190.019    40.858  178.914    44.348  140.620 16.984  134.578 19.436  6.042053       25.81154 
1 1 1 9   6  47 o 94.892   14.827  86.053     23.763  89.354     30.975  81.331     37.044  93.937  19.522  86.799  23.752  7.137756       30.74546 
1 1 1 9   6  48 o 58.144   17.918  33.730     19.991  44.926     25.453  15.707     32.295  65.930  20.202  51.762  21.559  14.16809       29.54499 
1 1 1 9   6  49 o 75.398   16.846  57.175     21.619  48.897     27.905  69.604     34.192  67.769  21.217  79.218  23.219  -11.44952      31.45280 
1 1 1 9   6  50 o 34.410   15.311  -2.9088    18.515  -0.9992    22.975  -6.4467    31.272  38.827  17.176  42.600  19.342  -3.772171      25.86750 
1 1 1 9   6  51 o 96.616   16.120  93.595     26.236  70.413     34.281  126.367    40.760  77.959  23.351  106.326 22.649  -28.36609      32.53007 
1 1 1 9   6  52 o 58.944   23.008  36.381     34.230  67.706     50.161  9.0818     46.828  72.049  27.927  52.982  23.899  19.06665       36.75699 
1 1 1 9   6  53 o 46.293   20.311  8.6101     31.515  31.046     47.093  -9.5866    42.411  58.214  25.193  46.181  21.520  12.03302       33.13343 
1 1 1 9   6  54 o 56.990   22.799  35.467     34.373  20.438     50.667  48.281     46.785  55.098  24.855  62.621  26.004  -7.522923      35.97191 
1 1 1 9   6  55 o 121.369  19.477  164.097    39.880  128.060    52.439  213.528    61.416  91.894  29.128  122.827 29.086  -30.93304      41.16324 
1 1 1 9   6  56 o 65.941   22.032  55.097     29.791  36.115     37.771  86.343     48.460  55.839  23.291  73.883  27.735  -18.04409      36.21719 
1 1 1 9   6  57 o 47.612   19.653  21.936     26.496  27.317     32.748  11.735     45.087  51.062  21.517  49.041  22.622  2.020882       31.22059 
1 1 1 9   6  58 o 41.794   17.867  12.627     23.138  10.413     27.055  18.656     44.645  42.436  18.712  49.606  22.745  -7.170509      29.45344 
1 1 1 9   6  59 o 43.674   17.231  19.590     19.378  19.118     22.867  20.791     36.498  44.182  18.249  47.699  21.340  -3.516800      28.07909 
1 1 1 9   6  60 o 43.118   17.113  19.654     19.217  25.536     22.752  5.0132     35.895  46.808  18.607  42.435  19.782  4.372906       27.15792 
1 1 1 9   7  0  f 242.859  10.625  516.938    45.055  535.320    63.830  498.685    63.607  246.233 14.916  237.534 15.419  8.698944       21.45369 
1 1 1 9   7  1  o 519.325  16.158  2376.15    146.521 2347.35    207.223 2404.95    207.200 513.736 23.101  520.120 22.815  -6.383484      32.46843 
1 1 1 9   7  2  f 455.197  14.861  1823.19    118.119 1715.56    167.031 1930.87    167.061 439.599 21.761  466.805 20.496  -27.20691      29.89377 
1 1 1 9   7  3  o 205.719  10.777  372.027    38.576  345.914    54.453  398.335    54.656  197.527 15.924  212.254 14.841  -14.72710      21.76730 
1 1 1 9   7  4  o 61.078   12.920  33.999     13.348  48.815     18.706  18.627     19.053  73.142  15.145  49.437  17.568  23.70508       23.19562 
1 1 1 9   7  5  f 186.811  10.518  306.894    34.170  285.113    48.471  328.411    48.177  179.234 15.645  192.677 14.425  -13.44342      21.27998 
1 1 1 9   7  6  o 185.022  10.127  300.920    32.593  257.319    45.684  346.121    46.514  170.212 15.543  197.971 13.537  -27.75925      20.61148 
1 1 1 9   7  7  o 177.195  9.9719  276.035    30.727  243.389    43.112  309.740    43.806  165.575 15.078  187.223 13.490  -21.64835      20.23178 
1 1 1 9   7  8  o 274.619  13.351  663.041    64.019  633.310    110.485 678.069    78.549  265.287 24.115  276.769 16.326  -11.48160      29.12224 
1 1 1 9   7  9  o 283.041  13.473  704.537    66.584  725.324    115.170 694.101    81.604  284.208 23.416  279.894 16.775  4.314240       28.80503 
1 1 1 9   7  10 o 211.154  12.449  393.078    45.694  405.179    78.865  386.962    56.063  212.372 21.567  208.945 15.477  3.426895       26.54581 
1 1 1 9   7  11 o 253.556  11.063  564.188    48.978  581.548    69.591  547.150    68.943  256.312 15.624  248.510 15.973  7.801834       22.34416 
1 1 1 9   7  12 o 277.835  11.479  677.771    55.688  672.536    78.908  682.966    78.603  275.456 16.482  277.640 16.285  -2.184174      23.17033 
1 1 1 9   7  13 o 331.298  12.468  964.868    72.122  955.785    102.214 973.873    101.779 328.070 17.911  331.245 17.661  -3.175354      25.15399 
1 1 1 9   7  14 o 385.779  13.365  1309.94    90.030  1269.59    127.463 1350.12    127.180 377.627 19.397  390.146 18.669  -12.51883      26.92158 
1 1 1 9   7  15 o 507.760  18.639  2287.82    165.249 2355.87    202.540 2152.32    285.794 513.311 22.598  482.394 34.151  30.91772       40.95073 
1 1 1 9   7  16 o 259.854  12.875  594.279    58.416  624.490    71.976  535.973    99.990  265.439 15.598  243.357 23.838  22.08221       28.48757 
1 1 1 9   7  17 o 294.574  13.304  764.335    68.427  699.538    83.265  899.134    120.095 280.512 17.081  316.421 21.871  -35.90985      27.75093 
1 1 1 9   7  18 o 49.693   18.887  15.678     22.636  15.678     22.636  0.0000     0.0000  49.693  18.887  ?       ?       0.000000       18.88702 
1 1 1 9   7  19 o 215.581  15.367  412.945    57.465  412.945    57.465  0.0000     0.0000  215.581 15.367  ?       ?       0.000000       15.36674 
1 1 1 9   7  20 o 148.823  16.080  198.365    41.120  198.365    41.120  0.0000     0.0000  148.823 16.080  ?       ?       0.000000       16.07975 
1 1 1 9   7  21 o 65.738   20.533  38.482     26.151  38.482     26.151  0.0000     0.0000  65.738  20.533  ?       ?       0.000000       20.53268 
1 1 1 9   7  22 o 87.622   17.744  70.682     26.217  99.755     29.132  -53.1359   60.120  104.822 16.459  54.590  25.500  50.23244       30.35064 
1 1 1 9   7  23 o 177.174  14.663  279.676    44.955  406.705    53.567  -22.8884   82.671  213.935 14.424  72.216  32.227  141.7194       35.30748 
1 1 1 9   7  24 o 424.304  13.769  1592.01    102.011 1267.99    143.024 1927.54    145.541 374.426 21.973  464.827 17.932  -90.40094      28.36134 
1 1 1 9   7  25 o 111.036  18.628  113.074    34.836  174.945    49.904  54.273     48.650  137.841 21.431  80.250  28.114  57.59023       35.35103 
1 1 1 9   7  26 o 170.784  11.560  258.364    34.270  235.408    45.526  288.382    52.059  161.804 16.338  179.088 16.846  -17.28416      23.46741 
1 1 1 9   7  27 o 129.803  12.658  150.355    28.324  124.429    37.371  185.350    43.418  116.305 19.063  142.878 17.789  -26.57269      26.07401 
1 1 1 9   7  28 o 179.547  11.516  285.782    35.912  270.010    49.186  303.790    52.555  173.125 16.470  183.688 16.564  -10.56349      23.35850 
1 1 1 9   7  29 o 115.760  15.432  121.508    30.414  122.903    52.089  120.787    37.463  112.878 26.824  114.208 19.486  -1.329918      33.15467 
1 1 1 9   7  30 o 222.309  13.012  440.116    50.288  430.306    86.275  445.164    61.888  215.232 23.330  222.461 16.040  -7.228317      28.31262 
1 1 1 9   7  31 o 187.168  13.149  312.949    42.700  340.597    72.239  298.102    52.939  191.555 21.997  181.309 16.917  10.24628       27.75023 
1 1 1 9   7  32 o 193.605  12.966  335.056    43.578  284.558    74.165  361.684    53.856  172.776 25.337  200.191 15.529  -27.41458      29.71696 
1 1 1 9   7  33 o 346.937  12.381  1071.31    74.999  1023.65    105.436 1120.12    106.704 335.095 18.087  351.504 17.386  -16.40948      25.08787 
1 1 1 9   7  34 o 90.113   13.777  74.288     20.989  71.537     27.351  78.229     32.737  86.958  18.577  90.232  21.147  -3.273979      28.14829 
1 1 1 9   7  35 o 224.016  12.738  450.258    49.620  453.298    83.689  448.610    61.618  218.942 22.198  221.890 16.012  -2.948318      27.37055 
1 1 1 9   7  36 o 158.983  13.008  228.236    35.794  230.119    59.298  227.156    44.896  154.713 22.619  156.984 16.632  -2.271667      28.07565 
1 1 1 9   7  37 o 56.721   22.230  21.500     32.053  0.0000     0.0000  21.500     32.053  ?       ?       56.721  22.230  0.000000       22.22986 
1 1 1 9   7  38 o 58.892   22.637  25.920     32.745  0.0000     0.0000  25.920     32.745  ?       ?       58.892  22.637  0.000000       22.63651 
1 1 1 9   7  39 o 68.276   20.622  45.368     26.654  45.781     32.181  44.465     47.570  69.008  22.892  71.613  27.341  -2.604912      35.65928 
1 1 1 9   7  40 o 34.091   15.373  -7.8787    19.359  -23.1257   21.865  47.433     41.646  31.542  14.933  71.055  25.881  -39.51284      29.87986 
1 1 1 9   7  41 f 76.749   20.711  59.201     28.398  49.040     34.656  79.968     49.544  70.340  23.761  86.106  28.397  -15.76584      37.02665 
1 1 1 9   7  42 o 42.987   16.761  12.334     18.151  13.843     19.833  4.5534     45.034  44.991  17.527  55.316  24.275  -10.32512      29.94090 
1 1 1 9   7  43 o 156.966  12.054  226.090    32.784  228.384    43.284  223.001    50.212  154.773 16.260  150.157 19.621  4.615768       25.48207 
1 1 1 9   7  44 o 57.339   17.195  32.367     18.581  30.476     22.541  36.376     32.823  56.324  19.163  61.870  22.904  -5.546375      29.86305 
1 1 1 9   7  45 o 154.368  12.309  221.132    32.902  234.860    43.323  202.424    50.575  155.895 16.150  139.818 21.397  16.07750       26.80732 
1 1 1 9   7  46 o 101.500  15.910  100.980    27.271  101.327    30.595  99.642     60.154  100.079 18.178  87.418  31.200  12.66183       36.10952 
1 1 1 9   7  47 o 91.253   17.916  85.126     27.527  74.354     30.639  130.213    62.682  82.769  21.129  97.319  31.933  -14.54964      38.29039 
1 1 1 9   7  48 o 98.438   17.175  98.615     28.446  90.034     32.431  127.232    59.227  90.892  20.875  95.710  31.022  -4.818436      37.39126 
1 1 1 9   7  49 o 98.181   16.869  98.641     27.877  85.754     30.963  153.807    64.062  88.313  20.478  102.261 32.169  -13.94736      38.13374 
1 1 1 9   7  50 o 62.233   23.702  44.738     35.696  0.0000     0.0000  44.738     35.696  ?       ?       62.233  23.702  0.000000       23.70221 
1 1 1 9   7  51 o 59.264   23.510  39.989     36.253  0.0000     0.0000  39.989     36.253  ?       ?       59.264  23.510  0.000000       23.50976 
1 1 1 9   7  52 o 47.743   20.781  14.513     32.415  0.0000     0.0000  14.513     32.415  ?       ?       47.743  20.781  0.000000       20.78143 
1 1 1 9   7  53 o 61.057   20.265  44.411     25.217  57.282     27.820  -14.8693   59.704  68.413  21.147  49.089  23.626  19.32384       31.70753 
1 1 1 9   7  54 o 46.461   18.110  21.669     21.183  30.267     23.262  -20.0872   51.265  51.793  19.260  45.095  21.751  6.698143       29.05286 
1 1 1 9   7  55 o 29.095   13.752  -13.2075   18.403  -12.2576   19.584  -20.3767   53.802  30.379  14.306  45.036  21.856  -14.65728      26.12186 
1 1 1 9   7  56 o 62.655   19.843  49.734     24.340  47.223     27.286  59.516     53.856  59.665  21.043  59.249  26.250  0.4159927      33.64334 
1 1 1 9   7  57 o 44.650   18.348  20.760     22.963  22.099     29.877  18.826     35.894  46.453  20.085  46.466  20.945  -0.1230240E-01 29.01880 
1 1 1 9   7  58 o 54.962   19.946  41.092     24.704  47.578     33.879  33.727     36.099  55.506  22.483  50.051  21.855  5.455544       31.35476 
1 1 1 9   8  0  o 385.005  15.540  1307.73    104.468 1353.19    128.171 1217.75    180.312 390.701 18.788  366.089 28.431  24.61157       34.07825 
1 1 1 9   8  1  o 341.722  14.571  1029.05    86.938  1107.92    106.749 873.703    149.821 353.908 17.275  309.894 27.990  44.01413       32.89193 
1 1 1 9   8  2  o 309.731  17.620  851.828    94.897  813.622    134.867 889.292    133.552 299.728 26.028  314.058 24.550  -14.32986      35.77949 
1 1 1 9   8  3  o 470.475  22.047  1975.30    181.110 1814.97    256.338 2135.09    255.919 443.786 33.324  483.560 30.466  -39.77310      45.15169 
1 1 1 9   8  4  o 401.655  15.733  1424.63    110.337 1331.42    135.006 1612.12    191.475 386.426 20.078  422.364 26.091  -35.93842      32.92237 
1 1 1 9   8  5  o 114.603  12.793  116.951    25.163  123.908    30.365  101.699    44.959  117.559 15.145  104.379 24.998  13.17995       29.22830 
1 1 1 9   8  6  o 277.266  16.953  682.897    81.679  608.627    115.913 756.146    115.114 258.669 26.017  289.804 22.936  -31.13553      34.68364 
1 1 1 9   8  7  o 172.398  15.535  264.611    46.261  290.048    65.213  238.843    65.635  179.114 21.267  161.520 24.002  17.59328       32.06888 
1 1 1 9   8  8  o 84.655   19.094  66.167     27.551  77.726     38.797  54.407     39.132  91.381  24.004  78.437  25.194  12.94442       34.79865 
1 1 1 9   8  9  o 212.771  12.780  399.974    47.258  352.247    57.590  498.371    82.691  198.754 16.751  235.610 20.298  -36.85585      26.31760 
1 1 1 9   8  10 o 417.368  16.458  1542.68    119.937 1548.62    146.861 1530.77    207.829 416.685 20.185  408.598 29.325  8.086945       35.60098 
1 1 1 9   8  11 o 367.934  15.388  1197.16    98.857  1178.94    121.088 1233.57    171.187 363.380 19.152  367.866 26.836  -4.485809      32.96956 
1 1 1 9   8  12 o 362.267  15.284  1160.80    96.676  1169.92    118.456 1142.62    167.303 362.026 18.804  353.507 27.316  8.519196       33.16296 
1 1 1 9   8  13 o 67.786   19.007  42.115     23.406  32.618     29.617  57.914     38.198  63.242  21.948  79.985  24.788  -16.74341      33.10874 
1 1 1 9   8  14 o 74.492   19.820  51.325     26.231  -171.0495  47.914  146.499    31.346  32.572  16.514  127.997 14.268  -95.42470      21.82455 
1 1 1 9   8  15 o 185.450  16.991  308.045    54.407  193.875    75.860  428.974    78.073  142.251 31.384  217.855 20.776  -75.60481      37.63757 
1 1 1 9   8  16 o 535.104  19.127  2558.75    178.708 3143.67    219.122 1396.88    308.829 591.553 21.214  370.744 48.900  220.8090       53.30370 
1 1 1 9   8  17 o 540.495  19.322  2614.33    182.351 2966.68    223.599 1914.63    315.091 573.419 22.332  442.438 41.263  130.9806       46.91880 
1 1 1 9   8  18 o ?        ?       -99.5957   18.961  -95.4297   25.366  -104.8716  28.545  ?       ?       24.920  12.647  0.000000       12.64671 
1 1 1 9   8  19 o 52.428   20.212  16.841     26.165  47.713     33.953  -28.2991   41.056  73.068  23.467  47.162  21.693  25.90660       31.95815 
1 1 1 9   8  20 o 164.837  12.156  241.162    34.741  215.140    49.425  266.573    48.842  153.865 18.787  172.228 16.441  -18.36348      24.96546 
1 1 1 9   8  21 o 240.632  11.744  511.161    49.343  507.784    69.926  514.510    69.639  237.861 16.947  239.510 16.758  -1.648346      23.83335 
1 1 1 9   8  22 o 255.073  11.816  574.781    52.624  584.162    74.852  565.612    73.998  255.064 16.903  250.929 16.989  4.135132       23.96537 
1 1 1 9   8  23 o 311.086  12.209  856.247    66.316  828.279    93.101  885.052    94.484  303.305 17.656  313.739 17.315  -10.43420      24.72920 
1 1 1 9   8  24 o 420.153  14.139  1570.64    103.725 1509.75    146.215 1632.33    147.169 407.176 20.633  424.468 19.857  -17.29166      28.63601 
1 1 1 9   8  25 o 220.044  13.056  431.511    49.937  381.016    60.092  544.216    89.777  205.291 16.915  243.262 21.352  -37.97086      27.24006 
1 1 1 9   8  26 o 39.232   15.598  7.5814     15.991  9.9965     20.075  3.3884     26.452  44.086  17.493  45.774  19.316  -1.688282      26.05973 
1 1 1 9   8  27 o 99.328   16.082  90.799     26.938  101.599    39.528  81.433     36.810  103.029 22.595  92.026  22.978  11.00365       32.22582 
1 1 1 9   8  28 o 186.518  13.213  311.896    42.752  262.382    69.132  342.559    54.403  165.711 24.643  194.274 16.185  -28.56297      29.48237 
1 1 1 9   8  29 o 262.850  13.704  620.281    62.679  561.727    104.980 652.715    78.133  242.365 25.174  267.825 16.793  -25.46075      30.26135 
1 1 1 9   8  30 o 416.457  16.820  1577.80    122.311 1568.88    211.241 1582.30    150.016 396.249 30.773  412.113 20.916  -15.86459      37.20837 
1 1 1 9   8  31 o 145.208  12.276  189.779    30.834  183.291    42.719  196.834    44.549  140.410 17.826  145.529 17.910  -5.118881      25.26942 
1 1 1 9   8  32 o 497.479  16.309  2260.83    141.665 2217.49    200.103 2304.39    200.586 480.728 23.839  490.859 23.404  -10.13034      33.40706 
1 1 1 9   8  33 o 162.445  14.000  240.490    39.322  223.708    66.833  249.375    48.630  148.891 26.688  163.689 17.276  -14.79819      31.79136 
1 1 1 9   8  34 f 168.527  13.607  258.870    39.698  188.590    67.754  295.608    48.987  133.384 29.838  178.848 15.851  -45.46341      33.78729 
1 1 1 9   8  35 o 169.805  13.091  262.732    38.513  252.872    64.288  268.251    48.099  159.272 23.851  169.579 16.451  -10.30673      28.97418 
1 1 1 9   8  36 o 48.930   17.901  19.421     19.954  9.3409     31.933  25.879     25.559  50.615  21.284  55.381  20.259  -4.766407      29.38442 
1 1 1 9   8  37 o 40.190   16.568  6.5478     18.799  16.154     31.369  1.1645     23.483  52.887  21.555  41.326  17.838  11.56047       27.97878 
1 1 1 9   8  38 o 80.224   18.935  64.076     26.098  71.851     35.373  54.790     38.661  82.896  23.410  73.166  25.094  9.730667       34.31838 
1 1 1 9   8  39 o 145.281  12.959  195.222    32.528  200.905    39.930  184.011    56.084  145.321 16.002  131.365 25.369  13.95673       29.99430 
1 1 1 9   8  40 o 62.969   17.565  39.523     20.042  36.203     24.557  46.146     34.686  60.494  19.994  67.310  23.727  -6.815346      31.02823 
1 1 1 9   8  41 o 62.301   21.713  38.991     28.999  42.538     34.907  31.090     52.097  64.933  23.688  64.190  27.099  0.7437134      35.99264 
1 1 1 9   8  42 o 60.761   22.196  36.698     30.664  44.722     38.445  22.667     50.838  65.788  24.702  60.574  26.195  5.214798       36.00533 
1 1 1 9   8  43 o 98.809   20.714  103.580    34.595  68.081     43.494  164.716    57.078  75.882  26.583  116.638 28.312  -40.75633      38.83572 
1 1 1 9   8  44 o 59.573   22.108  36.495     30.619  45.429     38.126  20.268     51.386  64.642  24.525  58.507  25.795  6.135223       35.59283 
1 1 1 9   8  45 o 116.844  25.815  163.131    51.264  163.131    51.264  0.0000     0.0000  116.844 25.815  ?       ?       0.000000       25.81519 
1 1 1 9   8  46 o 48.335   19.396  19.345     24.961  40.888     29.135  -40.1036   48.398  60.702  21.708  43.574  21.046  17.12716       30.23592 
1 1 1 9   8  47 o 94.407   21.703  102.475    35.027  125.100    43.838  62.525     58.253  100.348 25.087  68.030  28.684  32.31746       38.10689 
1 1 1 9   8  48 o 39.051   17.185  3.0847     22.708  -14.3452   32.369  19.976     31.866  39.526  18.543  49.959  21.148  -10.43315      28.12578 
1 1 1 9   8  49 o 35.832   16.379  -5.2201    22.911  0.6044     31.199  -12.0368   33.752  42.531  19.314  40.446  18.962  2.084404       27.06597 
1 1 1 9   8  50 o 53.266   20.832  31.806     28.105  37.209     33.250  18.289     52.595  56.042  22.423  53.011  24.446  3.031536       33.17183 
1 1 1 9   8  51 o 39.983   16.617  11.545     19.129  5.8240     21.255  35.932     43.885  38.381  16.764  55.279  24.118  -16.89820      29.37209 
1 1 1 9   8  52 o 59.940   19.884  44.656     24.278  43.269     28.077  48.764     48.333  57.906  21.226  57.965  25.300  -0.5919647E-01 33.02480 
1 1 1 9   8  53 o 42.081   17.426  15.723     20.929  1.1299     23.256  77.873     47.994  36.940  16.736  65.842  26.728  -28.90207      31.53525 
1 1 1 9   8  54 o 50.305   18.587  30.962     21.595  30.375     25.003  32.686     42.851  49.672  19.581  51.033  22.955  -1.361115      30.17200 
1 1 1 9   8  55 o 30.420   13.879  -2.3992    16.354  1.0737     19.632  -10.2739   29.563  34.035  15.402  36.031  17.146  -1.995750      23.04765 
1 1 1 9   9  0  o 137.323  15.214  168.878    35.867  191.590    52.914  149.572    48.784  144.669 21.610  127.152 22.811  17.51693       31.42199 
1 1 1 9   9  1  o ?        ?       -148.9638  5.7120  0.0000     0.0000  -148.9638  5.7120  ?       ?       ?       ?       0.000000       ?        
1 1 1 9   9  2  o 233.607  11.100  480.084    45.277  474.859    65.585  484.842    62.582  230.752 16.384  233.448 15.440  -2.696350      22.51342 
1 1 1 9   9  3  o 18.297   8.9625  -19.0054   9.6628  -99.8369   41.868  -14.4576   9.9309  35.432  17.595  20.230  9.7103  15.20207       20.09642 
1 1 1 9   9  4  f ?        ?       -425.6316  10.033  -437.2932  13.300  -410.2322  15.284  ?       ?       ?       ?       0.000000       ?        
1 1 1 9   9  5  o ?        ?       -144.6021  5.4057  0.0000     0.0000  -144.6021  5.4057  ?       ?       ?       ?       0.000000       ?        
1 1 1 9   9  6  o 79.483   20.335  58.816     28.336  0.0000     0.0000  58.816     28.336  ?       ?       79.483  20.335  0.000000       20.33472 
1 1 1 9   9  7  o ?        ?       -202.7781  6.4835  -198.7086  8.1576  -209.7569  10.683  ?       ?       ?       ?       0.000000       ?        
1 1 1 9   9  8  o 251.616  11.827  558.212    51.961  558.731    74.208  557.713    72.782  249.847 17.113  249.734 16.789  0.1135101      23.97343 
1 1 1 9   9  9  o 90.211   13.502  73.513     20.614  58.763     31.605  84.435     27.194  79.417  22.023  96.034  16.831  -16.61704      27.71832 
1 1 1 9   9  10 o 261.672  11.712  603.968    53.512  617.716    76.025  590.468    75.334  262.769 16.656  256.797 16.895  5.972626       23.72508 
1 1 1 9   9  11 f 106.467  11.911  101.257    21.763  119.057    32.425  86.665     29.358  114.415 16.724  96.969  18.002  17.44624       24.57149 
1 1 1 9   9  12 o 111.073  11.867  110.125    22.659  95.776     33.016  122.903    31.155  101.671 19.304  116.508 15.716  -14.83754      24.89233 
1 1 1 9   9  13 o 133.757  12.368  159.486    28.558  131.846    38.146  194.736    43.078  119.801 18.859  146.635 17.149  -26.83440      25.49016 
1 1 1 9   9  14 o 195.746  13.021  340.883    44.249  322.039    54.171  378.665    76.706  189.140 16.570  202.995 21.993  -13.85532      27.53652 
1 1 1 9   9  15 o 301.900  14.272  810.436    75.236  819.452    92.359  792.652    129.714 301.680 17.610  291.751 25.726  9.929077       31.17631 
1 1 1 9   9  16 o 403.880  16.387  1460.39    115.561 1553.62    141.736 1275.52    199.586 414.368 19.590  364.270 31.695  50.09842       37.26052 
1 1 1 9   9  17 o 450.586  17.612  1827.40    138.560 1898.50    169.803 1685.71    239.704 456.089 21.322  416.126 33.269  39.96283       39.51503 
1 1 1 9   9  18 o 173.525  11.517  267.661    34.696  256.119    49.052  279.217    49.084  167.987 16.955  175.755 16.176  -7.768433      23.43376 
1 1 1 9   9  19 o 207.204  11.437  381.373    41.216  357.357    58.429  405.160    58.150  198.490 17.024  211.956 15.826  -13.46617      23.24389 
1 1 1 9   9  20 o 147.979  11.775  195.459    30.174  211.698    43.965  180.999    41.487  152.376 16.804  140.602 17.261  11.77435       24.08996 
1 1 1 9   9  21 o 420.243  14.346  1581.42    105.268 1656.55    149.175 1506.91    148.569 425.012 20.102  403.884 21.141  21.12796       29.17212 
1 1 1 9   9  22 o 161.426  11.529  232.622    32.282  280.370    46.086  186.629    45.232  175.953 15.148  141.900 18.712  34.05284       24.07512 
1 1 1 9   9  23 o 97.041   13.813  85.970     22.745  105.392    32.872  68.131     31.504  106.034 18.423  84.083  21.404  21.95141       28.24052 
1 1 1 9   9  24 o 102.846  13.524  96.374     23.697  121.010    34.937  75.381     32.251  113.709 18.211  88.334  21.183  25.37492       27.93502 
1 1 1 9   9  25 o 116.091  18.605  126.758    36.439  135.447    53.354  119.162    49.886  116.036 26.864  108.882 26.492  7.153824       37.72914 
1 1 1 9   9  26 o 79.131   17.925  59.758     24.193  120.313    44.502  34.354     28.824  110.386 23.790  62.339  21.652  48.04709       32.16766 
1 1 1 9   9  27 o 52.323   19.812  20.112     24.848  0.0000     0.0000  20.112     24.848  ?       ?       52.323  19.812  0.000000       19.81174 
1 1 1 9   9  28 f 105.954  19.156  107.709    34.136  0.0000     0.0000  107.709    34.136  ?       ?       105.954 19.156  0.000000       19.15630 
1 1 1 9   9  29 o 190.434  13.380  330.155    44.209  293.526    76.924  348.220    54.022  169.572 26.877  193.847 16.106  -24.27498      31.33341 
1 1 1 9   9  30 o 215.307  13.466  423.020    50.368  458.779    87.656  405.393    61.543  214.906 23.757  208.046 17.093  6.859024       29.26726 
1 1 1 9   9  31 o 209.885  13.568  403.510    49.458  349.685    86.005  430.103    60.453  182.448 27.883  214.563 16.257  -32.11513      32.27591 
1 1 1 9   9  32 o 133.350  14.870  166.018    34.033  171.894    61.277  163.397    40.926  125.591 28.586  130.036 18.551  -4.444275      34.07730 
1 1 1 9   9  33 o 133.034  14.618  165.570    33.397  182.693    58.161  157.146    40.792  130.821 26.373  126.773 19.015  4.048485       32.51273 
1 1 1 9   9  34 o 120.888  13.211  135.798    27.431  116.427    39.198  154.389    38.401  106.553 21.803  125.941 17.973  -19.38814      28.25599 
1 1 1 9   9  35 o 95.178   15.107  86.697     24.267  64.147     34.922  107.754    33.745  77.470  23.650  103.638 19.360  -26.16779      30.56364 
1 1 1 9   9  36 o 65.507   22.495  44.002     31.070  44.002     31.070  0.0000     0.0000  65.507  22.495  ?       ?       0.000000       22.49462 
1 1 1 9   9  37 o 71.828   22.096  55.279     30.414  55.279     30.414  0.0000     0.0000  71.828  22.096  ?       ?       0.000000       22.09574 
1 1 1 9   9  38 o 30.698   14.682  -25.1276   22.254  -25.1276   22.254  0.0000     0.0000  30.698  14.682  ?       ?       0.000000       14.68198 
1 1 1 9   9  39 o 99.511   16.663  99.021     27.928  117.340    34.653  65.069     47.177  106.226 19.398  73.758  27.428  32.46764       33.59462 
1 1 1 9   9  40 o 103.054  21.551  116.149    37.532  116.145    53.155  116.152    53.003  93.859  29.267  93.938  29.214  -0.7836151E-01 41.35201 
1 1 1 9   9  41 o 78.332   18.864  65.653     25.493  77.343     46.997  60.779     30.345  77.024  27.569  72.935  21.997  4.088219       35.26890 
1 1 1 9   9  42 o 33.397   15.146  -5.4861    19.102  24.884     37.148  -16.4033   22.273  54.423  22.924  32.485  15.285  21.93795       27.55255 
1 1 1 9   9  43 o 60.527   17.782  39.597     20.032  17.426     29.289  59.087     27.460  48.531  20.394  71.659  20.752  -23.12826      29.09613 
1 1 1 9   9  44 o 47.322   17.109  22.366     18.152  28.109     25.691  16.642     25.650  52.164  20.051  46.396  19.259  5.768646       27.80186 
1 1 1 9   9  45 o 31.110   14.076  -3.9543    16.391  1.0169     24.443  -8.0158    22.094  39.013  17.458  34.308  15.829  4.704208       23.56595 
1 1 1 9   9  46 o 36.291   15.703  4.6115     18.290  30.473     29.066  -12.3418   23.534  52.715  21.007  33.814  15.846  18.90084       26.31330 
1 1 1 9   9  47 o 62.248   22.198  50.461     30.442  89.496     40.989  2.4442     45.460  77.895  25.836  47.251  22.105  30.64316       34.00187 
1 1 1 9   9  48 o 42.511   18.577  11.093     26.128  22.700     34.807  -3.8914    39.547  49.173  21.466  43.373  20.395  5.800262       29.60985 
1 1 1 9   9  49 o 50.605   19.706  30.418     25.064  11.242     33.599  54.476     37.635  44.579  20.163  60.296  23.943  -15.71770      31.30184 
1 1 1 9   9  50 o 28.891   13.936  -20.4374   21.056  -35.5269   29.159  -3.9967    30.436  31.376  15.410  38.639  18.080  -7.263138      23.75592 
1 1 1 9   9  51 o 64.646   22.030  61.256     29.793  61.256     29.793  0.0000     0.0000  64.646  22.030  ?       ?       0.000000       22.03049 
1 1 1 9   9  52 o 41.516   17.874  16.128     23.459  23.499     26.660  -9.1597    49.379  45.199  19.246  42.224  20.592  2.975170       28.18590 
1 1 1 9   10 0  o 195.368  12.661  339.644    42.957  331.776    53.408  354.059    72.294  191.976 16.081  196.128 21.461  -4.152405      26.81727 
1 1 1 9   10 1  o 194.007  15.023  337.618    50.494  388.877    73.342  291.427    69.623  205.946 20.675  176.960 23.082  28.98558       30.98777 
1 1 1 9   10 2  o 91.918   16.624  77.907     25.698  134.883    42.629  45.380     32.209  120.159 21.087  70.868  22.867  49.29108       31.10584 
1 1 1 9   10 3  o 192.952  13.067  332.027    43.763  268.384    77.629  361.675    52.985  167.393 27.516  200.678 15.235  -33.28516      31.45241 
1 1 1 9   10 4  o 203.179  10.481  365.391    37.055  413.941    52.798  318.267    52.017  215.122 14.135  187.854 16.011  27.26761       21.35786 
1 1 1 9   10 5  o 112.555  11.822  113.399    22.886  95.856     33.120  129.431    31.661  101.262 19.438  119.322 15.567  -18.05989      24.90349 
1 1 1 9   10 6  o 290.053  11.669  745.292    59.096  787.204    84.013  704.243    83.143  295.637 16.339  279.148 17.141  16.48959       23.68038 
1 1 1 9   10 7  o 203.430  10.660  366.817    37.735  367.378    53.880  366.276    52.864  201.953 15.396  201.760 15.116  0.1932983      21.57575 
1 1 1 9   10 8  o 165.769  10.788  244.084    31.055  261.348    44.868  228.208    43.027  170.137 15.266  158.735 15.731  11.40172       21.92076 
1 1 1 9   10 9  o 94.992   11.909  81.281     19.319  79.261     28.561  82.985     26.229  91.971  18.427  94.753  16.450  -2.781525      24.70182 
1 1 1 9   10 10 f 145.680  13.206  190.680    33.227  133.985    54.877  223.496    41.750  116.563 27.422  157.040 15.425  -40.47653      31.46232 
1 1 1 9   10 11 o 104.587  14.982  100.020    26.577  46.879     42.798  133.376    33.907  73.729  26.317  120.518 16.550  -46.78855      31.08819 
1 1 1 9   10 12 o 89.074   14.943  73.071     22.418  80.854     26.364  52.752     42.598  93.223  16.815  76.349  26.332  16.87362       31.24333 
1 1 1 9   10 13 o 81.697   15.427  61.979     21.200  57.535     25.748  71.335     37.359  77.768  19.100  85.665  24.011  -7.896828      30.68154 
1 1 1 9   10 14 o 108.901  13.858  107.954    25.754  124.204    31.701  76.409     44.167  116.163 16.059  88.172  26.526  27.99142       31.00832 
1 1 1 9   10 15 o 255.402  11.259  580.391    50.208  507.721    70.136  656.778    71.907  235.418 17.181  269.127 15.366  -33.70963      23.04989 
1 1 1 9   10 16 o 91.599   17.064  78.758     26.288  82.748     42.489  76.284     33.462  91.208  25.622  88.564  21.788  2.643822       33.63312 
1 1 1 9   10 17 o 303.032  13.456  825.828    71.196  739.345    121.431 871.130    87.887  275.670 25.517  308.709 16.363  -33.03891      30.31298 
1 1 1 9   10 18 o 193.628  13.184  338.676    44.307  272.446    73.552  376.397    55.509  165.591 26.319  202.719 15.807  -37.12842      30.70140 
1 1 1 9   10 19 o 285.826  12.906  735.184    64.413  587.375    109.317 813.795    79.722  243.636 26.103  298.544 15.345  -54.90778      30.27994 
1 1 1 9   10 20 o 243.256  13.366  536.047    56.554  398.560    95.854  609.463    70.045  197.367 28.652  257.728 15.639  -60.36111      32.64219 
1 1 1 9   10 21 o 157.524  13.487  226.200    36.738  215.772    59.683  232.562    46.617  147.445 24.008  157.706 17.208  -10.26016      29.53873 
1 1 1 9   10 22 o 121.231  15.139  136.451    31.347  123.577    50.973  144.281    39.753  108.750 26.975  122.608 19.199  -13.85833      33.10964 
1 1 1 9   10 23 o 51.254   20.594  15.485     28.177  0.0000     0.0000  15.485     28.177  ?       ?       51.254  20.594  0.000000       20.59380 
1 1 1 9   10 24 o 207.575  16.210  402.292    58.286  0.0000     0.0000  402.292    58.286  ?       ?       207.575 16.210  0.000000       16.21000 
1 1 1 9   10 25 o 164.156  16.379  253.619    46.321  0.0000     0.0000  253.619    46.321  ?       ?       164.156 16.379  0.000000       16.37949 
1 1 1 9   10 26 o 307.400  13.987  869.807    75.075  757.022    128.349 928.466    92.562  266.298 28.024  313.455 16.975  -47.15656      32.76422 
1 1 1 9   10 27 o 125.441  12.852  145.341    27.751  137.383    37.626  154.836    41.096  118.382 18.834  125.403 19.394  -7.021439      27.03415 
1 1 1 9   10 28 o 144.402  12.215  191.757    30.509  185.061    41.410  199.708    45.123  138.260 17.548  142.920 18.517  -4.659378      25.51121 
1 1 1 9   10 29 o 31.105   14.276  -10.1843   17.647  -17.8019   22.538  1.8864     28.371  33.307  15.576  44.562  19.419  -11.25558      24.89386 
1 1 1 9   10 30 o 177.651  11.336  289.288    34.980  234.240    46.489  361.129    53.108  154.813 17.505  194.367 15.785  -39.55435      23.57128 
1 1 1 9   10 31 o 64.311   19.196  42.404     23.197  31.544     25.040  108.149    61.608  57.074  20.155  91.801  31.667  -34.72723      37.53725 
1 1 1 9   10 32 o 65.187   18.907  43.941     22.778  47.829     24.437  18.175     62.905  67.667  19.571  62.645  28.022  5.022091       34.17984 
1 1 1 9   10 33 o 147.169  16.690  213.992    42.130  213.992    42.130  0.0000     0.0000  147.169 16.690  ?       ?       0.000000       16.69020 
1 1 1 9   10 34 o 89.113   27.132  98.158     46.007  98.158     46.007  0.0000     0.0000  89.113  27.132  ?       ?       0.000000       27.13218 
1 1 1 9   10 35 o 44.158   20.057  -4.4365    33.669  -4.4365    33.669  0.0000     0.0000  44.158  20.057  ?       ?       0.000000       20.05694 
1 1 1 9   10 36 o 144.142  14.966  204.762    37.117  207.769    64.997  203.306    45.215  125.085 30.120  138.860 19.159  -13.77554      35.69676 
1 1 1 9   10 37 o 47.418   19.073  18.374     24.199  -19.6325   39.771  40.717     30.494  42.974  20.282  60.378  22.123  -17.40405      30.01293 
1 1 1 9   10 38 o 38.375   16.422  5.6539     19.586  24.215     25.789  -19.6412   30.106  50.564  19.901  37.149  17.567  13.41545       26.54583 
1 1 1 9   10 39 o 52.261   18.539  29.016     21.208  30.564     28.275  27.026     32.066  53.846  20.941  52.859  21.697  0.9869232      30.15416 
1 1 1 9   10 40 o 35.450   15.828  -0.5953    19.968  15.947     27.098  -20.2508   29.537  46.254  19.536  36.124  17.175  10.12992       26.01269 
1 1 1 9   10 41 o 53.958   18.716  32.731     21.535  41.216     28.547  21.527     32.805  58.394  21.404  49.748  21.271  8.646183       30.17527 
1 1 1 9   10 42 o 46.148   17.936  21.225     20.735  46.500     27.597  -11.5348   31.419  61.005  21.186  38.680  18.185  22.32493       27.92025 
1 1 1 9   10 43 o 27.484   13.347  -25.2174   20.154  -9.3201    22.461  -90.8909   45.653  33.532  15.638  33.905  17.059  -0.3732910     23.14207 
1 1 1 9   10 44 o 54.083   21.380  36.990     29.887  36.719     36.159  37.572     53.097  53.840  22.645  54.716  24.982  -0.8761368     33.71731 
1 1 1 9   10 45 o 86.642   24.460  108.966    38.624  109.460    49.756  108.217    61.268  76.700  28.235  69.786  29.420  6.914070       40.77724 
1 1 1 9   10 46 o 28.746   13.941  -23.0285   21.783  -7.9730    24.547  -78.8332   47.258  34.396  16.140  34.612  17.407  -0.2160568     23.73802 
1 1 1 9   10 47 o 41.485   17.573  15.993     22.028  16.225     24.561  15.038     49.796  42.254  18.240  46.779  22.258  -4.524448      28.77757 
1 1 1 9   10 48 o 36.418   16.249  6.2511     21.011  -2.2284    24.076  33.337     43.029  35.010  16.281  48.935  22.398  -13.92579      27.69004 
1 1 1 9   11 0  o 143.282  14.941  187.654    36.830  0.0000     0.0000  187.654    36.830  ?       ?       143.282 14.941  0.000000       14.94120 
1 1 1 9   11 1  o 224.942  13.043  455.839    51.009  608.355    88.959  381.129    62.262  254.725 20.166  202.952 17.748  51.77328       26.86387 
1 1 1 9   11 2  o 155.986  16.035  223.808    43.051  216.741    60.241  231.184    61.546  149.047 23.959  154.242 23.604  -5.195297      33.63285 
1 1 1 9   11 3  o 206.153  16.203  390.154    57.856  482.271    81.875  298.280    81.766  225.697 21.018  171.868 28.227  53.82964       35.19242 
1 1 1 9   11 4  o 70.907   14.752  47.143     17.670  99.741     34.455  28.372     20.583  101.794 20.098  55.964  18.296  45.82975       27.17849 
1 1 1 9   11 5  o 267.980  13.904  650.720    64.835  751.084    113.251 601.790    79.075  278.863 23.477  254.655 17.898  24.20715       29.52128 
1 1 1 9   11 6  o 295.340  13.862  789.037    71.482  981.840    124.760 694.811    87.217  319.928 22.476  273.045 18.401  46.88300       29.04808 
1 1 1 9   11 7  o 170.984  13.214  265.241    39.144  250.260    66.299  273.258    48.499  158.996 24.682  171.875 16.358  -12.87872      29.61014 
1 1 1 9   11 8  o 85.591   17.681  70.053     25.549  84.767     43.099  62.081     31.724  91.078  25.882  79.228  22.098  11.84985       34.03228 
1 1 1 9   11 9  o 129.583  17.236  157.683    38.031  175.509    53.207  139.063    54.380  132.892 23.805  115.746 27.342  17.14556       36.25271 
1 1 1 9   11 10 f 58.146   20.771  29.280     26.665  70.942     35.193  -26.8679   40.856  83.992  23.220  45.782  21.263  38.20954       31.48529 
1 1 1 9   11 11 o 101.221  18.685  98.654     31.808  106.712    45.711  91.089     44.289  101.594 25.739  93.678  26.103  7.916313       36.65874 
1 1 1 9   11 12 o 51.561   18.408  22.505     20.940  -16.6926   34.813  44.728     26.213  44.076  20.164  67.722  20.449  -23.64682      28.71816 
1 1 1 9   11 13 o 79.834   18.667  62.307     25.557  42.325     40.696  75.320     32.840  68.571  25.480  86.594  21.749  -18.02315      33.49984 
1 1 1 9   11 14 o 179.963  13.204  296.207    41.201  281.792    68.384  304.422    51.623  167.127 24.133  180.130 16.600  -13.00366      29.29094 
1 1 1 9   11 15 o 431.620  14.413  1712.98    108.626 1515.48    152.871 1914.40    154.381 391.727 22.444  446.383 19.807  -54.65573      29.93389 
1 1 1 9   11 16 o 203.855  11.305  376.248    40.083  311.849    55.488  446.524    57.965  180.826 17.805  219.001 15.254  -38.17476      23.44575 
1 1 1 9   11 17 o 76.672   15.376  56.333     19.869  21.189     25.397  111.780    31.899  52.238  19.969  107.544 17.596  -55.30624      26.61588 
1 1 1 9   11 18 o 276.778  11.327  693.971    54.742  592.495    76.379  801.150    78.496  248.877 17.692  292.573 15.420  -43.69618      23.46856 
1 1 1 9   11 19 o 123.539  12.605  140.962    26.808  132.700    36.573  150.556    39.411  116.230 18.652  123.804 18.825  -7.574112      26.50002 
1 1 1 9   11 20 o 50.351   18.976  20.701     22.729  -9.7929    42.175  33.182     26.982  49.400  22.442  59.189  20.920  -9.788658      30.68072 
1 1 1 9   11 21 o 110.969  16.306  118.974    30.653  136.598    52.987  110.109    37.580  109.726 27.664  103.120 21.565  6.606659       35.07588 
1 1 1 9   11 22 o 53.558   19.643  25.753     24.050  -15.7554   41.901  46.146     29.369  47.330  21.824  66.792  21.855  -19.46144      30.88588 
1 1 1 9   11 23 o 209.789  11.577  404.715    42.243  370.783    59.273  439.740    60.220  194.434 17.651  213.564 16.272  -19.12938      24.00712 
1 1 1 9   11 24 o 168.551  11.697  262.599    34.211  230.444    47.629  296.869    49.170  151.953 18.321  174.850 16.293  -22.89703      24.51764 
1 1 1 9   11 25 o 168.057  11.929  262.434    34.778  238.551    48.735  287.217    49.644  153.928 18.503  170.887 16.857  -16.95839      25.03078 
1 1 1 9   11 26 o 102.352  21.122  111.887    36.495  111.887    36.495  0.0000     0.0000  102.352 21.122  ?       ?       0.000000       21.12178 
1 1 1 9   11 27 o 97.067   17.960  96.533     29.319  87.567     34.155  121.640    57.156  88.927  22.094  95.324  30.430  -6.396935      37.60559 
1 1 1 9   11 28 o 80.302   19.548  69.133     27.150  73.631     31.450  55.976     53.792  81.140  21.754  69.101  28.202  12.03894       35.61745 
1 1 1 9   11 29 o 133.054  19.973  188.734    44.969  170.276    60.401  211.690    67.359  112.755 30.112  125.395 30.952  -12.63988      43.18257 
1 1 1 9   11 30 f 48.233   18.575  20.977     22.079  52.160     35.144  0.6439     28.378  66.423  23.833  42.268  18.870  24.15517       30.39896 
1 1 1 9   11 31 o 45.723   18.841  15.151     24.296  18.920     33.827  11.133     34.920  50.953  21.688  48.627  21.357  2.325478       30.43802 
1 1 1 9   11 32 o 30.597   13.832  -4.4418    15.786  -8.0679    18.229  6.4358     31.572  31.444  14.460  45.273  20.076  -13.82825      24.74162 
1 1 1 9   11 33 o 142.338  13.994  201.190    34.331  189.132    42.203  224.779    59.029  131.898 18.862  132.157 26.503  -0.2584534     32.52964 
1 1 1 9   11 34 o 85.067   15.852  75.673     22.679  56.564     29.248  104.488    35.915  67.925  21.777  92.846  22.409  -24.92128      31.24790 
1 1 1 9   11 35 o 82.763   16.151  72.758     22.502  55.716     28.866  99.152     35.924  66.935  21.653  88.797  22.990  -21.86223      31.58111 
1 1 1 9   11 36 o 68.249   17.255  51.869     20.574  45.077     25.589  64.287     34.600  60.857  20.419  68.718  23.730  -7.861012      31.30548 
1 1 1 9   11 37 o 34.093   14.847  3.2604     16.559  6.3680     19.740  -4.1203    30.421  37.671  16.307  39.826  18.445  -2.154305      24.61961 
1 1 1 9   11 38 o 96.238   18.002  105.122    29.138  98.721     32.132  134.752    69.132  89.294  20.967  76.730  31.715  12.56401       38.01915 
1 1 1 9   11 39 o 44.206   18.437  18.155     23.667  17.449     25.603  22.303     62.044  44.415  18.886  52.046  24.787  -7.631222      31.16177 
1 1 1 9   11 40 o 44.995   18.401  21.011     22.959  19.432     24.703  31.023     62.204  44.594  18.734  52.405  24.918  -7.810726      31.17523 
1 1 1 9   11 41 o 50.092   21.447  32.026     33.432  -3.0395    45.167  74.518     49.721  43.351  20.782  61.738  26.286  -18.38667      33.50909 
1 1 1 9   11 42 o 39.246   18.091  3.8731     28.763  -12.9945   36.183  32.831     47.409  38.175  18.378  49.869  23.071  -11.69483      29.49627 
1 1 1 9   11 43 o 57.604   23.194  57.227     35.826  27.617     48.309  93.410     53.403  47.784  22.491  62.602  26.960  -14.81819      35.11029 
1 1 1 9   11 44 o 44.644   19.518  24.202     28.872  56.460     39.210  -14.0046   42.673  54.832  23.345  38.870  18.996  15.96254       30.09711 
1 1 1 9   12 0  o 37.361   13.523  11.063     11.344  0.1370     19.690  16.492     13.880  37.584  16.278  43.540  15.030  -5.956192      22.15556 
1 1 1 9   12 1  o 133.891  11.251  163.331    26.058  177.536    37.770  150.427    35.998  136.747 16.129  125.284 16.886  11.46269       23.35123 
1 1 1 9   12 2  o 289.530  12.283  764.849    62.094  839.745    88.528  692.321    87.117  296.999 17.144  267.409 18.777  29.59067       25.42625 
1 1 1 9   12 3  o 232.697  10.675  489.143    43.375  565.846    62.285  416.922    60.438  246.425 14.540  209.350 16.672  37.07565       22.12178 
1 1 1 9   12 4  o 110.129  12.687  112.396    23.950  124.736    33.678  99.770     34.065  113.254 17.602  99.408  20.312  13.84607       26.87767 
1 1 1 9   12 5  o 155.115  11.626  220.124    31.259  235.682    43.584  203.645    44.856  157.348 16.090  144.570 18.171  12.77817       24.27107 
1 1 1 9   12 6  o 76.282   18.043  58.068     23.655  76.121     29.350  24.599     39.962  86.594  19.837  59.169  24.247  27.42524       31.32747 
1 1 1 9   12 7  o 92.537   16.877  83.695     26.265  72.503     32.001  106.797    45.976  83.249  21.769  97.957  26.318  -14.70821      34.15458 
1 1 1 9   12 8  o 72.278   18.300  52.622     23.118  51.204     27.628  55.931     42.215  70.372  20.937  72.657  26.115  -2.284782      33.47179 
1 1 1 9   12 9  o 113.571  12.868  120.390    25.067  111.033    34.020  131.503    37.078  105.035 19.260  114.528 19.222  -9.492897      27.21086 
1 1 1 9   12 10 o 141.370  11.910  184.538    29.125  159.436    39.773  213.562    42.768  126.644 18.535  148.330 16.810  -21.68633      25.02217 
1 1 1 9   12 11 o 87.198   14.939  73.419     21.927  51.217     29.535  100.685    32.729  69.675  21.830  99.347  19.564  -29.67256      29.31385 
1 1 1 9   12 12 o 114.656  12.915  123.390    25.405  123.545    34.369  123.203    37.719  110.999 18.376  109.136 20.548  1.862907       27.56620 
1 1 1 9   12 13 o 133.033  12.304  165.007    28.257  134.632    38.142  201.954    42.067  114.582 19.780  143.206 17.166  -28.62337      26.18959 
1 1 1 9   12 14 o 30.870   13.814  -4.2212    15.302  -10.6007   19.510  5.9768     24.667  32.508  14.953  43.155  18.448  -10.64684      23.74723 
1 1 1 9   12 15 f 57.638   16.810  33.509     17.961  23.635     22.450  51.072     29.941  51.063  18.934  68.634  22.037  -17.57113      29.05377 
1 1 1 9   12 16 o 97.580   13.521  91.187     22.418  77.607     29.929  108.544    33.836  85.293  20.376  101.927 19.725  -16.63365      28.35897 
1 1 1 9   12 17 o 128.738  14.191  159.641    31.369  145.701    50.961  168.144    39.803  110.502 26.708  128.437 18.263  -17.93578      32.35522 
1 1 1 9   12 18 o 120.011  15.278  141.452    31.289  140.200    49.620  142.278    40.315  107.952 26.517  115.266 20.796  -7.313499      33.69865 
1 1 1 9   12 19 o 44.154   17.410  14.987     19.769  27.363     29.638  5.0673     26.534  54.366  21.355  43.214  18.806  11.15238       28.45530 
1 1 1 9   12 20 o 95.045   20.917  99.328     33.772  83.081     42.361  127.671    55.948  81.238  26.225  96.241  30.028  -15.00301      39.86811 
1 1 1 9   12 21 o 135.825  18.962  194.631    43.745  194.631    43.745  0.0000     0.0000  135.825 18.962  ?       ?       0.000000       18.96243 
1 1 1 9   12 22 o 109.659  16.629  123.196    30.841  100.992    36.277  181.085    58.575  93.321  22.521  116.875 28.872  -23.55327      36.61697 
1 1 1 9   12 23 o 24.233   11.968  -35.5716   18.419  -45.4361   20.410  7.7207     42.758  24.316  12.109  50.386  22.772  -26.07037      25.79144 
1 1 1 9   12 24 o 93.554   17.861  93.403     28.113  132.678    48.428  73.441     34.525  99.849  27.089  76.935  23.521  22.91411       35.87553 
1 1 1 9   12 25 o 114.450  16.106  135.337    31.295  71.471     53.996  167.643    38.403  69.630  28.318  125.087 18.110  -55.45713      33.61397 
1 1 1 9   12 26 o 31.245   14.591  -11.6305   19.658  28.824     35.972  -28.8570   23.474  53.855  22.615  29.892  14.491  23.96285       26.85922 
1 1 1 9   12 27 o 31.318   14.340  -6.1192    17.661  7.0147     26.618  -16.4495   23.606  42.272  18.604  32.868  15.547  9.404087       24.24513 
1 1 1 9   12 28 o 33.036   14.968  -3.3878    18.606  10.303     25.285  -19.5555   27.477  42.668  18.463  34.637  16.496  8.030422       24.75866 
1 1 1 9   12 29 o 34.864   15.481  1.0198     18.835  -5.6675    25.207  9.4722     28.339  36.712  16.927  43.375  19.138  -6.662907      25.54978 
1 1 1 9   12 30 o 50.840   20.563  28.550     28.294  28.550     28.294  0.0000     0.0000  50.840  20.563  ?       ?       0.000000       20.56284 
1 1 1 9   12 31 o 45.468   18.911  19.262     24.800  14.489     28.938  32.462     48.125  44.716  19.545  53.644  24.210  -8.928513      31.11457 
1 1 1 9   12 32 o 52.200   20.019  33.214     25.572  34.553     29.784  29.456     49.884  52.705  21.174  52.346  24.017  0.3584480      32.01791 
1 1 1 9   12 33 o 40.804   17.818  10.792     23.998  15.551     27.787  -3.1765    47.606  43.940  19.181  44.829  21.449  -0.8889427     28.77443 
1 1 1 9   12 34 o 34.840   15.720  1.1480     20.276  -6.5128    22.373  36.356     47.964  33.535  15.628  52.173  23.791  -18.63808      28.46456 
1 1 1 9   12 35 o 24.324   11.800  -19.2047   15.644  -19.7406   16.432  -14.0159   51.132  24.935  12.096  42.809  20.894  -17.87407      24.14284 
1 1 1 9   12 36 o 37.665   16.476  9.1258     20.597  0.7253     22.240  59.768     54.606  35.223  16.115  55.031  25.204  -19.80804      29.91530 
1 1 1 9   12 37 o 115.107  16.576  154.947    32.354  138.377    37.228  206.093    65.406  99.326  22.042  88.870  32.424  10.45590       39.20674 
1 1 1 9   12 38 o 65.425   18.230  55.889     21.601  50.769     28.016  63.394     33.922  56.877  21.140  59.868  23.033  -2.991196      31.26356 
1 1 1 9   13 0  o 37.490   15.669  6.0982     17.145  -10.5455   20.335  47.014     31.884  32.978  15.205  65.125  22.763  -32.14705      27.37437 
1 1 1 9   13 1  o 134.827  13.847  175.160    32.136  153.910    39.082  219.523    56.468  121.523 19.044  139.130 24.118  -17.60730      30.73092 
1 1 1 9   13 2  o 202.920  16.589  411.234    58.263  411.234    58.263  0.0000     0.0000  202.920 16.589  ?       ?       0.000000       16.58916 
1 1 1 9   13 3  o 51.934   18.836  26.384     22.024  24.341     27.920  29.751     35.835  52.323  20.671  56.855  23.090  -4.532280      30.99102 
1 1 1 9   13 4  o 57.468   19.359  34.767     23.002  22.674     29.271  54.291     37.194  51.840  20.933  67.987  24.505  -16.14687      32.22874 
1 1 1 9   13 5  o 72.822   19.324  57.514     24.977  55.691     31.417  60.644     41.176  69.462  22.599  70.398  25.720  -0.9361420     34.23785 
1 1 1 9   13 6  o 131.682  12.207  164.767    27.749  171.810    40.105  158.299    38.433  128.260 18.438  123.045 18.458  5.215538       26.08953 
1 1 1 9   13 7  o 124.589  13.137  149.740    28.148  132.156    40.782  165.737    38.898  107.914 22.378  125.987 18.211  -18.07279      28.85123 
1 1 1 9   13 8  f 144.045  12.041  197.212    30.006  208.579    44.057  187.377    40.979  141.074 18.318  134.089 17.954  6.985550       25.64934 
1 1 1 9   13 9  o 71.239   16.394  52.813     19.969  65.987     30.552  42.987     26.386  75.206  21.921  61.872  20.734  13.33446       30.17362 
1 1 1 9   13 10 o 61.868   18.114  41.466     20.820  24.955     29.285  58.343     29.607  52.010  20.960  70.523  21.818  -18.51290      30.25511 
1 1 1 9   13 11 o 93.770   18.080  93.854     28.529  92.997     34.020  95.885     52.372  89.310  21.967  80.676  29.078  8.634468       36.44316 
1 1 1 9   13 12 o 78.716   19.390  69.081     26.476  57.997     31.636  94.995     48.372  69.041  22.688  81.408  28.061  -12.36752      36.08565 
1 1 1 9   13 13 o 143.444  14.362  205.174    35.488  158.669    42.666  309.581    63.929  117.500 21.592  161.543 23.341  -44.04322      31.79642 
1 1 1 9   13 14 o 134.666  18.798  197.321    42.996  158.246    58.138  244.490    63.876  102.343 30.354  135.066 28.004  -32.72247      41.29856 
1 1 1 9   13 15 f 137.188  18.613  205.161    43.435  151.270    58.717  270.294    64.551  97.760  30.805  143.958 26.662  -46.19791      40.74067 
1 1 1 9   13 16 o 104.924  21.328  129.126    37.742  155.132    49.670  93.596     58.056  107.067 26.669  74.470  29.685  32.59693       39.90494 
1 1 1 9   13 17 o 105.198  16.000  116.170    28.463  91.658     33.158  184.799    55.483  86.661  21.903  114.428 27.998  -27.76649      35.54771 
1 1 1 9   13 18 o 151.374  18.421  253.371    47.684  141.299    65.062  383.427    70.089  85.902  32.158  175.812 23.414  -89.90964      39.77875 
1 1 1 9   13 19 o 51.275   20.889  28.142     29.446  63.681     38.145  -24.2628   46.320  66.917  24.707  42.826  20.661  24.09064       32.20785 
1 1 1 9   13 20 o 45.878   19.645  16.900     28.058  -8.1148    36.223  54.421     44.363  41.577  19.540  61.210  25.362  -19.63284      32.01619 
1 1 1 9   13 21 o 52.338   20.412  32.117     26.926  28.220     32.830  40.124     47.061  51.052  21.530  56.036  24.696  -4.983829      32.76344 
1 1 1 9   13 22 o 45.715   17.493  21.954     19.499  13.341     21.898  54.923     42.846  41.676  17.580  60.324  24.954  -18.64853      30.52461 
1 1 1 9   13 23 o 38.073   17.017  3.9717     23.147  9.2179     26.965  -10.7177   45.121  41.742  18.530  43.376  20.788  -1.634121      27.84752 
1 1 1 9   13 24 o 36.612   16.574  1.1443     22.760  -16.3282   26.826  46.048     43.004  33.983  16.216  55.968  24.148  -21.98466      29.08762 
1 1 1 9   13 25 o 53.727   21.470  38.939     30.444  38.939     30.444  0.0000     0.0000  53.727  21.470  ?       ?       0.000000       21.47002 
1 1 1 9   13 26 o 53.687   21.630  40.295     31.178  40.295     31.178  0.0000     0.0000  53.687  21.630  ?       ?       0.000000       21.63041 
1 1 1 9   13 27 o 56.442   22.523  49.028     33.457  49.028     33.457  0.0000     0.0000  56.442  22.523  ?       ?       0.000000       22.52338 
1 1 1 9   13 28 o 52.209   20.174  37.736     26.112  30.034     31.188  55.790     47.751  48.255  20.689  55.012  24.525  -6.756702      32.08580 
1 1 1 9   13 29 o 44.589   17.556  23.663     20.075  30.195     28.022  16.775     28.774  47.754  20.002  42.687  19.034  5.066559       27.61070 
1 1 1 9   13 30 o 50.382   18.641  34.394     21.735  51.685     29.366  13.448     32.322  56.963  21.545  41.896  19.263  15.06728       28.90063 
1 1 1 9   14 0  o 79.807   19.467  74.131     26.885  74.131     26.885  0.0000     0.0000  79.807  19.467  ?       ?       0.000000       19.46674 
1 1 1 9   14 1  o 39.623   17.122  7.7611     21.686  7.7611     21.686  0.0000     0.0000  39.623  17.122  ?       ?       0.000000       17.12202 
1 1 1 9   14 2  o 109.516  11.598  116.943    21.840  97.374     24.546  191.317    47.851  96.596  15.043  123.853 22.973  -27.25684      27.45956 
1 1 1 9   14 3  o 37.953   16.574  5.4516     20.767  -17.7474   26.134  45.196     34.207  33.917  16.135  58.789  22.985  -24.87119      28.08311 
1 1 1 9   14 4  o 64.611   20.088  51.195     25.063  26.643     31.404  94.266     41.594  50.512  21.167  79.495  26.009  -28.98333      33.53379 
1 1 1 9   14 5  o 85.227   22.616  94.210     34.213  65.040     50.951  118.162    46.169  63.343  26.773  87.478  27.276  -24.13439      38.22017 
1 1 1 9   14 6  o 38.884   16.400  9.9625     19.051  16.507     28.664  4.7839     25.498  45.558  19.686  39.954  17.859  5.604313       26.57943 
1 1 1 9   14 7  o 67.965   18.341  54.267     22.271  55.309     32.753  53.371     30.372  63.069  22.955  62.900  22.200  0.1697044      31.93363 
1 1 1 9   14 8  o 89.514   15.128  85.388     22.802  115.541    33.025  57.918     31.521  98.183  19.944  64.662  22.632  33.52186       30.16533 
1 1 1 9   14 9  o 107.219  13.892  119.182    25.397  153.852    37.672  90.298     34.385  113.717 19.686  81.174  23.136  32.54260       30.37729 
1 1 1 9   14 10 o 73.104   21.479  70.626     29.227  73.298     44.595  68.615     38.697  65.617  26.060  66.050  24.786  -0.4332504     35.96527 
1 1 1 9   14 11 o 59.125   20.854  46.551     26.798  -4.2496    40.394  86.487     35.815  42.662  20.226  76.670  24.042  -34.00834      31.41837 
1 1 1 9   14 12 o 68.742   21.712  64.943     29.157  18.297     42.194  107.574    40.338  47.795  21.988  83.431  25.406  -35.63531      33.59967 
1 1 1 9   14 13 o 63.279   21.548  56.040     28.504  0.0000     0.0000  56.040     28.504  ?       ?       63.279  21.548  0.000000       21.54843 
1 1 1 9   14 14 o 32.071   14.792  -4.3390    19.274  49.132     41.032  -19.4766   21.832  55.685  23.798  29.561  14.242  26.12390       27.73444 
1 1 1 9   14 15 o 78.718   19.504  78.545     26.671  51.419     51.943  88.258     31.081  54.638  24.854  80.176  21.681  -25.53783      32.98130 
1 1 1 9   14 16 o 45.483   17.252  24.129     18.861  34.582     28.075  15.530     25.464  50.625  20.481  42.148  18.381  8.477272       27.51928 
1 1 1 9   14 17 o 66.664   18.294  56.109     21.938  39.947     30.772  72.813     31.284  52.254  21.329  69.137  22.554  -16.88247      31.04194 
1 1 1 9   14 18 o 57.491   20.904  48.931     27.153  74.475     49.592  37.995     32.449  58.787  25.644  50.715  21.397  8.071766       33.39839 
1 1 1 9   14 19 o 110.532  18.712  153.196    34.826  146.378    62.100  156.325    42.062  71.579  29.861  101.059 24.164  -29.48011      38.41307 
1 1 1 9   14 20 o 89.389   16.742  95.672     25.171  75.423     34.222  119.537    37.152  65.717  23.525  86.937  23.785  -21.21977      33.45369 
1 1 1 10  0  0  o 82.170   24.767  73.262     30.983  73.262     30.983  73.262     30.983  82.170  24.767  82.170  24.767  0.000000       0.000000 
1 1 1 10  0  1  o 289.660  24.042  751.993    119.669 751.993    119.669 751.993    119.669 289.660 24.042  289.660 24.042  0.000000       0.000000 
1 1 1 10  0  2  o 853.282  50.096  6592.72    740.494 6592.72    740.494 6592.72    740.494 853.282 50.096  853.282 50.096  0.000000       0.000000 
1 1 1 10  0  3  o 755.154  44.925  5138.61    587.564 5138.61    587.564 5138.61    587.564 755.154 44.925  755.154 44.925  0.000000       0.000000 
1 1 1 10  0  4  f 816.925  48.159  6031.04    681.479 6031.04    681.479 6031.04    681.479 816.925 48.159  816.925 48.159  0.000000       0.000000 
1 1 1 10  0  5  o 288.226  24.021  744.672    118.956 744.672    118.956 744.672    118.956 288.226 24.021  288.226 24.021  0.000000       0.000000 
1 1 1 10  0  6  o 71.980   27.962  62.207     33.469  62.207     33.469  62.207     33.469  71.980  27.962  71.980  27.962  0.000000       0.000000 
1 1 1 10  0  7  o 417.025  28.886  1553.55    208.015 1553.55    208.015 1553.55    208.015 417.025 28.886  417.025 28.886  0.000000       0.000000 
1 1 1 10  0  8  o 354.639  26.470  1124.44    161.810 1124.44    161.810 1124.44    161.810 354.639 26.470  354.639 26.470  0.000000       0.000000 
1 1 1 10  0  9  o 348.901  17.901  1074.82    108.397 1074.82    108.397 1074.82    108.397 348.901 17.901  348.901 17.901  0.000000       0.000000 
1 1 1 10  0  10 o 308.761  17.174  842.667    91.933  842.667    91.933  842.667    91.933  308.761 17.174  308.761 17.174  0.000000       0.000000 
1 1 1 10  0  11 o 615.125  26.349  3346.78    281.820 3346.78    281.820 3346.78    281.820 615.125 26.349  615.125 26.349  0.000000       0.000000 
1 1 1 10  0  12 o 47.336   20.947  28.268     18.237  28.268     18.237  28.268     18.237  47.336  20.947  47.336  20.947  0.000000       0.000000 
1 1 1 10  0  13 o 864.037  33.950  6632.15    510.394 6632.15    510.394 6632.15    510.394 864.037 33.950  864.037 33.950  0.000000       0.000000 
1 1 1 10  0  14 f 659.634  24.622  3840.77    282.689 3840.77    282.689 3840.77    282.689 659.634 24.622  659.634 24.622  0.000000       0.000000 
1 1 1 10  0  15 o 692.003  29.033  4243.24    349.402 4243.24    349.402 4243.24    349.402 692.003 29.033  692.003 29.033  0.000000       0.000000 
1 1 1 10  0  16 o 326.252  17.824  940.986    100.842 940.986    100.842 940.986    100.842 326.252 17.824  326.252 17.824  0.000000       0.000000 
1 1 1 10  0  17 o 250.454  23.939  566.096    102.492 566.096    102.492 566.096    102.492 250.454 23.939  250.454 23.939  0.000000       0.000000 
1 1 1 10  0  18 o 718.915  43.209  4661.94    537.902 4661.94    537.902 4661.94    537.902 718.915 43.209  718.915 43.209  0.000000       0.000000 
1 1 1 10  0  19 o 187.072  23.532  321.675    73.563  321.675    73.563  321.675    73.563  187.072 23.532  187.072 23.532  0.000000       0.000000 
1 1 1 10  0  20 o 182.524  22.950  306.159    70.004  306.159    70.004  306.159    70.004  182.524 22.950  182.524 22.950  0.000000       0.000000 
1 1 1 10  0  21 f 41.146   24.072  17.578     28.903  17.578     28.903  17.578     28.903  41.146  24.072  41.146  24.072  0.000000       0.000000 
1 1 1 10  0  22 o 141.337  17.176  182.620    40.719  182.620    40.719  182.620    40.719  141.337 17.176  141.337 17.176  0.000000       0.000000 
1 1 1 10  0  23 o 25.412   17.067  -8.7066    21.411  -8.7066    21.411  -8.7066    21.411  25.412  17.067  25.412  17.067  0.000000       0.000000 
1 1 1 10  0  24 o 468.648  21.851  1942.67    177.917 1942.67    177.917 1942.67    177.917 468.648 21.851  468.648 21.851  0.000000       0.000000 
1 1 1 10  0  25 o 217.143  16.069  419.873    60.158  419.873    60.158  419.873    60.158  217.143 16.069  217.143 16.069  0.000000       0.000000 
1 1 1 10  0  26 o 190.477  15.801  324.389    51.719  324.389    51.719  324.389    51.719  190.477 15.801  190.477 15.801  0.000000       0.000000 
1 1 1 10  0  27 o 44.215   23.709  24.577     25.152  24.577     25.152  24.577     25.152  44.215  23.709  44.215  23.709  0.000000       0.000000 
1 1 1 10  0  28 o 363.894  18.884  1171.95    119.248 1171.95    119.248 1171.95    119.248 363.894 18.884  363.894 18.884  0.000000       0.000000 
1 1 1 10  0  29 f 31.648   20.237  1.5546     25.039  1.5546     25.039  1.5546     25.039  31.648  20.237  31.648  20.237  0.000000       0.000000 
1 1 1 10  0  30 o 141.759  17.880  184.555    42.343  184.555    42.343  184.555    42.343  141.759 17.880  141.759 17.880  0.000000       0.000000 
1 1 1 10  0  31 o 111.949  33.590  136.952    57.212  136.952    57.212  136.952    57.212  111.949 33.590  111.949 33.590  0.000000       0.000000 
1 1 1 10  0  32 o 86.484   35.805  93.296     53.739  93.296     53.739  93.296     53.739  86.484  35.805  86.484  35.805  0.000000       0.000000 
1 1 1 10  0  33 o 168.264  28.096  270.316    75.626  270.316    75.626  270.316    75.626  168.264 28.096  168.264 28.096  0.000000       0.000000 
1 1 1 10  0  34 o 69.117   36.463  62.300     58.665  62.300     58.665  62.300     58.665  69.117  36.463  69.117  36.463  0.000000       0.000000 
1 1 1 10  0  35 o 558.692  25.155  2781.47    244.258 2781.47    244.258 2781.47    244.258 558.692 25.155  558.692 25.155  0.000000       0.000000 
1 1 1 10  0  36 o 148.786  21.682  207.204    52.836  207.204    52.836  207.204    52.836  148.786 21.682  148.786 21.682  0.000000       0.000000 
1 1 1 10  0  37 o 174.654  19.324  278.475    57.087  278.475    57.087  278.475    57.087  174.654 19.324  174.654 19.324  0.000000       0.000000 
1 1 1 10  0  38 o 240.350  17.594  516.859    72.926  516.859    72.926  516.859    72.926  240.350 17.594  240.350 17.594  0.000000       0.000000 
1 1 1 10  0  39 o 135.114  22.901  174.704    49.367  174.704    49.367  174.704    49.367  135.114 22.901  135.114 22.901  0.000000       0.000000 
1 1 1 10  0  40 o 50.405   27.480  32.218     34.312  32.218     34.312  32.218     34.312  50.405  27.480  50.405  27.480  0.000000       0.000000 
1 1 1 10  0  41 o 284.801  25.486  742.223    124.401 742.223    124.401 742.223    124.401 284.801 25.486  284.801 25.486  0.000000       0.000000 
1 1 1 10  0  42 o 277.820  17.933  691.411    86.163  691.411    86.163  691.411    86.163  277.820 17.933  277.820 17.933  0.000000       0.000000 
1 1 1 10  0  43 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 10  0  44 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 10  0  45 o 55.772   32.627  36.570     53.092  36.570     53.092  36.570     53.092  55.772  32.627  55.772  32.627  0.000000       0.000000 
1 1 1 10  0  46 o 168.208  29.531  280.606    78.742  280.606    78.742  280.606    78.742  168.208 29.531  168.208 29.531  0.000000       0.000000 
1 1 1 10  0  47 o 198.446  18.001  360.231    61.194  360.231    61.194  360.231    61.194  198.446 18.001  198.446 18.001  0.000000       0.000000 
1 1 1 10  0  48 o 22.863   16.311  -41.1860   29.028  -41.1860   29.028  -41.1860   29.028  22.863  16.311  22.863  16.311  0.000000       0.000000 
1 1 1 10  0  49 f 34.696   22.516  0.4996     32.513  0.4996     32.513  0.4996     32.513  34.696  22.516  34.696  22.516  0.000000       0.000000 
1 1 1 10  0  50 o 95.155   27.765  101.515    40.056  101.515    40.056  101.515    40.056  95.155  27.765  95.155  27.765  0.000000       0.000000 
1 1 1 10  0  51 o 32.069   21.180  -4.0864    30.696  -4.0864    30.696  -4.0864    30.696  32.069  21.180  32.069  21.180  0.000000       0.000000 
1 1 1 10  0  52 o 34.199   21.678  6.1412     27.993  6.1412     27.993  6.1412     27.993  34.199  21.678  34.199  21.678  0.000000       0.000000 
1 1 1 10  0  53 o 41.899   25.476  18.546     34.837  18.546     34.837  18.546     34.837  41.899  25.476  41.899  25.476  0.000000       0.000000 
1 1 1 10  0  54 o 166.881  28.580  289.657    75.945  289.657    75.945  289.657    75.945  166.881 28.580  166.881 28.580  0.000000       0.000000 
1 1 1 10  0  55 o 28.355   19.884  -33.1328   37.337  -33.1328   37.337  -33.1328   37.337  28.355  19.884  28.355  19.884  0.000000       0.000000 
1 1 1 10  0  56 o 34.969   23.431  -6.6498    39.925  -6.6498    39.925  -6.6498    39.925  34.969  23.431  34.969  23.431  0.000000       0.000000 
1 1 1 10  0  57 o 30.024   20.412  -11.9958   32.506  -11.9958   32.506  -11.9958   32.506  30.024  20.412  30.024  20.412  0.000000       0.000000 
1 1 1 10  0  58 o 113.888  26.015  143.051    45.072  143.051    45.072  143.051    45.072  113.888 26.015  113.888 26.015  0.000000       0.000000 
1 1 1 10  0  59 o 65.449   30.922  66.482     39.979  66.482     39.979  66.482     39.979  65.449  30.922  65.449  30.922  0.000000       0.000000 
1 1 1 10  0  60 o 41.304   25.156  22.244     34.097  22.244     34.097  22.244     34.097  41.304  25.156  41.304  25.156  0.000000       0.000000 
1 1 1 10  0  61 o 81.281   27.193  84.553     34.424  84.553     34.424  84.553     34.424  81.281  27.193  81.281  27.193  0.000000       0.000000 
1 1 1 10  0  62 o 27.679   18.865  -9.2725    28.118  -9.2725    28.118  -9.2725    28.118  27.679  18.865  27.679  18.865  0.000000       0.000000 
1 1 1 10  0  63 o 38.291   25.229  10.592     43.141  10.592     43.141  10.592     43.141  38.291  25.229  38.291  25.229  0.000000       0.000000 
1 1 1 10  0  64 o 55.416   28.540  53.671     35.310  53.671     35.310  53.671     35.310  55.416  28.540  55.416  28.540  0.000000       0.000000 
1 1 1 10  1  0  o 273.823  16.007  661.101    76.201  704.317    108.237 618.631    107.299 281.415 22.208  263.314 23.588  18.10175       32.39707 
1 1 1 10  1  1  o 391.830  19.186  1353.17    131.265 1370.95    185.921 1335.49    185.352 391.592 27.363  386.373 27.657  5.218445       38.90614 
1 1 1 10  1  2  o 462.416  16.976  1880.89    137.065 1971.54    237.695 1835.74    167.767 469.171 29.160  455.909 21.075  13.26187       35.97824 
1 1 1 10  1  3  o 167.318  11.604  246.447    33.691  245.511    59.078  246.898    41.013  165.471 20.915  167.130 14.188  -1.658707      25.27304 
1 1 1 10  1  4  o 550.860  19.407  2676.01    186.667 2921.58    323.388 2553.31    228.594 569.528 32.656  536.524 24.401  33.00360       40.76564 
1 1 1 10  1  5  o 413.878  15.958  1505.82    115.319 1597.75    199.816 1459.90    141.209 422.742 27.215  406.748 19.883  15.99396       33.70413 
1 1 1 10  1  6  o 325.043  17.498  932.764    98.946  916.482    139.917 949.053    139.945 320.275 25.224  326.082 24.764  -5.807037      35.34852 
1 1 1 10  1  7  o 447.804  16.693  1764.24    130.526 1835.33    225.932 1728.62    159.913 452.487 28.745  442.348 20.704  10.13992       35.42539 
1 1 1 10  1  8  o 382.671  14.317  1285.83    95.661  1165.14    165.322 1346.58    117.290 360.882 26.420  391.114 17.175  -30.23190      31.51178 
1 1 1 10  1  9  o 194.145  11.721  331.552    39.546  353.001    67.985  320.583    48.618  199.013 19.829  190.476 14.733  8.536865       24.70271 
1 1 1 10  1  10 f 373.319  17.619  1227.69    114.848 0.0000     0.0000  1227.69    114.848 ?       ?       373.319 17.619  0.000000       17.61891 
1 1 1 10  1  11 o 750.460  24.800  5006.01    324.965 5000.35    398.011 5017.34    562.823 746.615 30.531  736.292 43.979  10.32245       53.53779 
1 1 1 10  1  12 o 151.270  12.011  201.885    31.463  179.222    38.319  248.783    55.122  141.901 15.730  166.807 19.281  -24.90607      24.88348 
1 1 1 10  1  13 o 311.072  13.896  849.791    75.477  810.542    92.291  929.053    131.154 302.786 17.532  322.707 23.436  -19.92078      29.26780 
1 1 1 10  1  14 o 137.641  12.101  167.419    28.787  157.988    35.006  187.121    50.595  133.174 15.334  144.027 20.715  -10.85266      25.77290 
1 1 1 10  1  15 o 543.768  19.269  2612.04    182.948 2623.28    316.906 2606.42    224.053 537.405 33.947  541.561 23.694  -4.156128      41.39840 
1 1 1 10  1  16 o 203.333  12.604  364.197    44.530  306.261    76.491  393.896    54.767  184.003 24.411  211.122 14.953  -27.11893      28.62668 
1 1 1 10  1  17 o 556.898  19.545  2742.28    190.053 2433.81    328.626 2897.29    232.964 515.314 36.764  570.873 23.371  -55.55933      43.56425 
1 1 1 10  1  18 o 191.135  15.290  323.511    50.601  220.768    70.161  434.882    73.047  155.035 26.893  221.008 19.117  -65.97266      32.99561 
1 1 1 10  1  19 f 248.140  15.941  544.552    68.701  482.659    95.601  610.649    98.794  231.626 23.986  261.415 21.844  -29.78877      32.44194 
1 1 1 10  1  20 o 473.534  17.122  1978.46    141.573 1779.37    172.908 2383.38    246.593 447.503 22.129  514.792 27.534  -67.28815      35.32397 
1 1 1 10  1  21 o 349.913  14.656  1077.51    89.545  1033.40    109.366 1167.21    155.965 341.415 18.414  360.689 24.917  -19.27396      30.98306 
1 1 1 10  1  22 o 225.825  11.088  447.329    43.720  416.880    61.261  478.934    62.414  216.819 16.301  232.654 15.452  -15.83467      22.46076 
1 1 1 10  1  23 o 65.765   16.527  39.649     18.956  33.476     26.213  46.417     27.444  62.723  20.654  71.555  20.753  -8.831585      29.27938 
1 1 1 10  1  24 o 131.742  11.489  153.486    26.164  158.361    36.787  148.495    37.221  133.020 16.171  128.580 16.995  4.439545       23.45939 
1 1 1 10  1  25 o 245.928  11.296  530.899    48.507  535.889    68.591  525.906    68.607  245.893 16.064  243.546 16.226  2.347534       22.83294 
1 1 1 10  1  26 o 322.397  12.425  913.664    69.947  936.777    99.193  890.803    98.648  324.896 17.550  316.694 17.913  8.202759       25.07777 
1 1 1 10  1  27 o 70.840   16.854  46.145     20.545  53.701     29.299  38.835     28.818  76.479  21.203  66.870  21.635  9.608719       30.29255 
1 1 1 10  1  28 o 409.934  14.021  1481.07    100.359 1586.80    142.393 1376.71    141.468 422.534 19.300  392.534 20.714  29.99991       28.31187 
1 1 1 10  1  29 o 31.214   14.247  -11.2676   17.251  -25.7399   28.320  -2.7296    21.752  37.774  17.597  39.497  17.108  -1.722263      24.54235 
1 1 1 10  1  30 o 147.696  14.897  194.582    37.892  238.694    48.164  122.928    61.385  163.217 17.157  113.875 30.330  49.34167       34.84621 
1 1 1 10  1  31 o 246.499  17.186  541.770    73.506  575.650    105.076 509.301    102.866 251.614 24.216  236.089 25.350  15.52509       35.05789 
1 1 1 10  1  32 o 380.943  28.840  1336.10    190.409 1336.10    190.409 0.0000     0.0000  380.943 28.840  ?       ?       0.000000       28.84006 
1 1 1 10  1  33 f 94.227   24.742  83.415     41.229  89.076     61.002  78.656     55.939  98.347  31.442  93.048  30.147  5.299622       43.55957 
1 1 1 10  1  34 o 24.883   12.547  -81.4962   25.454  -15.8274   43.712  -115.1885  31.310  52.313  23.383  26.075  13.234  26.23814       26.86798 
1 1 1 10  1  35 o 428.496  17.152  1637.05    128.329 2158.46    222.362 1376.65    157.139 484.582 26.380  388.962 23.244  95.62009       35.15903 
1 1 1 10  1  36 o 58.530   21.506  25.392     28.846  -70.2088   44.048  97.175     38.169  41.001  19.870  101.755 22.114  -60.75439      29.72954 
1 1 1 10  1  37 o 51.290   19.820  16.062     25.204  33.899     38.969  3.2327     33.047  67.296  24.948  50.817  21.525  16.47921       32.95024 
1 1 1 10  1  38 o 238.530  12.073  504.599    50.119  557.543    72.291  455.597    69.547  249.020 16.723  224.523 17.888  24.49771       24.48776 
1 1 1 10  1  39 o 208.531  12.004  386.336    43.522  434.632    63.614  343.837    59.674  219.486 16.725  194.676 17.750  24.80942       24.38852 
1 1 1 10  1  40 o 142.558  12.899  182.072    31.761  211.343    46.485  156.443    43.497  152.007 17.854  129.789 19.823  22.21869       26.67780 
1 1 1 10  1  41 o 124.426  13.854  139.917    29.588  177.077    42.485  104.920    41.231  138.685 17.967  104.409 23.217  34.27621       29.35703 
1 1 1 10  1  42 f 204.256  12.018  372.622    42.674  397.695    61.943  349.974    58.874  208.661 17.153  195.525 17.428  13.13588       24.45326 
1 1 1 10  1  43 o 80.351   23.277  62.677     34.544  86.705     56.289  48.161     43.751  93.087  30.247  73.942  26.585  19.14485       40.27005 
1 1 1 10  1  44 o 54.060   22.667  9.6196     36.052  0.0000     0.0000  9.6196     36.052  ?       ?       54.060  22.667  0.000000       22.66740 
1 1 1 10  1  45 o 57.370   21.970  24.290     30.774  18.767     51.699  27.321     38.297  64.583  27.115  62.029  24.302  2.554409       36.41197 
1 1 1 10  1  46 o 108.246  17.023  110.663    31.113  124.202    39.428  88.319     50.652  112.871 20.771  91.704  28.565  21.16716       35.31856 
1 1 1 10  1  47 o 116.035  16.349  126.881    32.205  167.942    53.998  104.211    40.123  128.096 25.040  101.375 23.172  26.72112       34.11659 
1 1 1 10  1  48 o 147.289  15.238  202.635    38.622  170.117    47.609  265.225    66.050  130.689 21.619  161.388 24.184  -30.69853      32.43855 
1 1 1 10  1  49 o 61.784   20.843  36.883     26.665  45.332     33.109  21.285     44.984  67.584  23.220  60.454  25.333  7.129742       34.36477 
1 1 1 10  1  50 o 55.205   19.639  27.988     23.814  26.781     32.377  29.411     35.151  57.343  22.378  59.488  23.289  -2.144382      32.29821 
1 1 1 10  1  51 o 122.244  14.654  142.095    30.654  143.574    43.410  140.625    43.294  117.271 22.008  115.865 22.209  1.406876       31.26623 
1 1 1 10  1  52 o 125.524  14.597  150.782    31.396  137.457    44.402  164.106    44.400  112.555 23.358  125.565 20.992  -13.00993      31.40490 
1 1 1 10  1  53 o 91.763   17.735  85.629     27.387  100.759    38.627  70.334     38.836  94.848  23.455  77.728  25.113  17.12061       34.36250 
1 1 1 10  1  54 f 35.417   16.372  -11.9997   23.806  -16.8844   38.509  -8.9782    30.287  43.741  20.424  40.938  18.757  2.803040       27.73051 
1 1 1 10  1  55 o 136.005  19.142  195.244    44.200  194.637    60.120  195.959    65.205  123.300 28.496  119.545 30.983  3.755356       42.09529 
1 1 1 10  1  56 o 165.258  19.080  291.946    54.045  271.880    76.213  312.242    76.651  137.517 32.291  152.833 29.794  -15.31583      43.93660 
1 1 1 10  1  57 o 51.159   23.011  13.033     43.055  0.0000     0.0000  13.033     43.055  ?       ?       51.159  23.011  0.000000       23.01085 
1 1 1 10  1  58 o 50.870   20.802  25.314     29.336  20.035     53.375  27.599     35.115  54.328  24.895  52.943  22.294  1.385178       33.41838 
1 1 1 10  1  59 o 33.759   15.705  -9.5335    22.432  -19.2394   31.304  0.7109     32.160  36.954  17.601  42.404  19.392  -5.449650      26.18892 
1 1 1 10  1  60 o 54.965   19.693  36.255     23.986  28.291     31.952  46.537     36.305  51.038  21.366  58.625  23.439  -7.587509      31.71621 
1 1 1 10  1  61 o 43.580   17.933  17.679     21.974  2.1172     28.544  40.321     34.430  40.060  18.300  55.029  22.523  -14.96892      29.02043 
1 1 1 10  1  62 o 34.266   15.631  -1.3612    20.728  7.2244     26.656  -14.4917   32.965  40.285  18.114  37.334  17.859  2.951321       25.43768 
1 1 1 10  1  63 o 33.989   15.612  -1.6746    21.157  14.373     26.683  -28.8437   34.719  42.120  18.578  34.915  17.079  7.205173       25.23522 
1 1 1 10  2  0  o 328.331  11.978  944.629    68.667  840.628    97.005  1049.08    97.215  308.486 18.088  345.492 16.115  -37.00577      24.22558 
1 1 1 10  2  1  o 163.889  9.8411  235.928    28.031  217.736    39.535  254.318    39.749  156.820 14.607  169.740 13.524  -12.92012      19.90600 
1 1 1 10  2  2  o 396.478  13.109  1378.60    90.753  1294.08    128.258 1463.36    128.430 382.661 19.257  407.660 18.043  -24.99841      26.38934 
1 1 1 10  2  3  o 395.549  13.043  1372.16    90.082  1339.56    127.485 1404.67    127.305 389.886 18.727  399.340 18.257  -9.453888      26.15382 
1 1 1 10  2  4  o 465.175  16.723  1903.48    135.827 2028.28    235.730 1841.45    166.187 475.990 28.494  456.582 20.846  19.40802       35.30519 
1 1 1 10  2  5  o 559.179  22.970  2769.46    224.275 0.0000     0.0000  2769.46    224.275 ?       ?       559.179 22.970  0.000000       22.97037 
1 1 1 10  2  6  o 369.467  17.775  1202.25    114.668 0.0000     0.0000  1202.25    114.668 ?       ?       369.467 17.775  0.000000       17.77471 
1 1 1 10  2  7  o 285.010  13.008  712.570    64.733  818.271    112.257 659.913    79.233  303.483 21.320  273.361 16.680  30.12222       27.06928 
1 1 1 10  2  8  o 765.781  25.237  5213.33    337.448 5359.13    584.492 5140.43    413.282 761.389 44.155  756.775 31.276  4.614014       54.10975 
1 1 1 10  2  9  o 225.385  11.021  445.060    43.371  577.110    76.290  382.003    52.719  255.441 17.205  208.029 14.606  47.41212       22.56878 
1 1 1 10  2  10 o 324.711  11.810  924.321    66.959  991.211    95.010  858.310    94.383  335.643 16.212  311.675 17.413  23.96841       23.79128 
1 1 1 10  2  11 o 361.129  12.581  1144.02    79.329  1141.11    112.312 1146.92    112.065 359.795 17.878  360.727 17.792  -0.9324036     25.22235 
1 1 1 10  2  12 o 811.708  25.771  5870.06    365.250 6350.97    632.731 5629.71    447.303 827.650 43.941  790.312 32.415  37.33838       54.60313 
1 1 1 10  2  13 o 540.542  21.465  2587.95    202.596 0.0000     0.0000  2587.95    202.596 ?       ?       540.542 21.465  0.000000       21.46538 
1 1 1 10  2  14 o 460.749  19.678  1876.48    158.308 0.0000     0.0000  1876.48    158.308 ?       ?       460.749 19.678  0.000000       19.67777 
1 1 1 10  2  15 o 49.542   15.460  21.419     14.829  0.0000     0.0000  21.419     14.829  ?       ?       49.542  15.460  0.000000       15.45974 
1 1 1 10  2  16 o 185.213  12.080  302.223    38.851  302.320    67.180  302.175    47.623  183.495 21.368  184.766 14.888  -1.270813      26.04288 
1 1 1 10  2  17 o 608.818  21.356  3287.15    227.027 3226.47    278.058 3408.48    393.200 600.649 26.513  609.474 37.125  -8.825256      45.62031 
1 1 1 10  2  18 o 406.887  16.059  1458.62    114.094 1519.83    139.895 1337.03    197.169 414.493 19.329  384.366 29.607  30.12680       35.35785 
1 1 1 10  2  19 o 331.040  13.992  963.573    80.879  1025.78    99.352  841.352    139.260 341.049 16.684  305.540 26.361  35.50934       31.19740 
1 1 1 10  2  20 o 338.599  14.426  1008.76    85.287  989.219    104.441 1047.86    147.760 334.126 17.968  341.630 24.943  -7.504364      30.74080 
1 1 1 10  2  21 o 340.941  14.325  1022.89    85.278  1034.07    104.577 1000.70    147.331 341.682 17.588  333.488 25.495  8.193298       30.97335 
1 1 1 10  2  22 o 386.217  15.082  1314.11    101.709 1379.35    124.814 1185.17    175.475 394.903 18.101  361.833 27.992  33.07047       33.33488 
1 1 1 10  2  23 o 214.358  11.018  404.220    41.101  408.628    57.802  399.711    58.454  214.734 15.521  212.289 15.885  2.444260       22.20860 
1 1 1 10  2  24 o 348.791  12.549  1069.28    76.426  1088.56    107.951 1049.91    108.215 350.329 17.705  343.920 18.084  6.408447       25.30816 
1 1 1 10  2  25 o 383.644  13.329  1295.14    89.287  1381.08    126.522 1209.88    126.022 394.779 18.355  368.608 19.651  26.17157       26.88991 
1 1 1 10  2  26 f 289.319  11.943  735.624    60.331  802.213    85.921  670.861    84.735  300.819 16.420  274.649 17.764  26.17007       24.19080 
1 1 1 10  2  27 o 470.083  15.198  1950.84    124.748 1990.70    176.733 1911.27    176.110 472.281 21.432  462.586 21.804  9.694733       30.57299 
1 1 1 10  2  28 o 37.681   17.401  -21.1381   26.794  -109.0629  48.522  17.435     32.138  38.944  19.268  56.679  22.246  -17.73550      29.43037 
1 1 1 10  2  29 o 305.336  18.218  831.125    96.684  887.292    138.694 778.027    134.852 312.420 25.651  291.918 26.754  20.50162       37.06434 
1 1 1 10  2  30 o 213.350  13.807  403.270    51.157  422.058    63.455  368.385    86.465  217.524 16.838  200.445 25.266  17.07877       30.36276 
1 1 1 10  2  31 o 160.638  18.359  232.582    50.568  216.425    71.734  248.543    71.297  151.810 28.097  163.777 25.785  -11.96625      38.13486 
1 1 1 10  2  32 o 383.663  19.997  1320.76    133.495 1343.10    188.922 1298.49    188.660 381.632 28.558  374.866 29.050  6.765869       40.73670 
1 1 1 10  2  33 o 117.256  19.365  126.040    38.263  121.059    69.672  128.191    45.786  112.367 33.204  117.204 23.194  -4.837654      40.50284 
1 1 1 10  2  34 o 464.104  17.550  1921.98    142.220 2763.64    248.118 1510.14    173.561 549.617 25.854  406.556 24.565  143.0610       35.66346 
1 1 1 10  2  35 o 207.612  13.216  382.841    47.658  359.543    70.042  402.927    65.034  198.804 20.470  211.581 17.768  -12.77681      27.10610 
1 1 1 10  2  36 o 130.253  14.724  152.591    32.899  179.804    49.578  131.180    43.976  139.603 20.989  118.503 22.065  21.10039       30.45305 
1 1 1 10  2  37 f 104.669  16.285  100.070    28.795  95.041     44.143  103.795    37.990  99.625  25.322  105.149 21.419  -5.524147      33.16621 
1 1 1 10  2  38 o 142.631  13.617  182.393    33.500  184.095    49.364  180.940    45.611  140.982 20.667  140.317 19.114  0.6653137      28.15038 
1 1 1 10  2  39 o 55.906   19.601  25.681     23.651  51.978     35.506  4.7072     31.709  75.118  23.985  50.180  21.161  24.93831       31.98497 
1 1 1 10  2  40 o 236.577  12.095  498.417    49.794  502.970    70.898  493.986    69.951  235.230 17.385  233.151 17.306  2.078598       24.53035 
1 1 1 10  2  41 o 229.683  12.091  470.737    48.319  497.626    68.924  444.749    67.759  233.746 17.004  220.509 17.749  13.23663       24.57961 
1 1 1 10  2  42 o 126.904  15.611  147.598    33.862  131.425    66.187  153.332    39.410  112.387 32.121  128.381 18.082  -15.99342      36.86106 
1 1 1 10  2  43 o 66.842   22.812  40.506     31.946  42.271     53.979  39.554     39.631  74.089  28.900  68.503  25.202  5.586029       38.34530 
1 1 1 10  2  44 o 147.751  18.489  205.035    46.655  242.775    71.094  176.488    61.832  155.075 27.250  131.342 27.827  23.73273       38.94759 
1 1 1 10  2  45 o 49.354   20.693  8.0750     30.040  19.431     43.375  -2.3927    41.644  60.842  25.133  52.787  23.250  8.055645       34.23744 
1 1 1 10  2  46 o 57.505   18.805  30.744     21.744  33.555     32.457  28.455     29.287  62.183  22.818  58.407  21.632  3.776516       31.44218 
1 1 1 10  2  47 o 88.232   19.626  76.957     29.456  72.392     36.687  85.239     49.412  83.727  23.909  88.914  28.284  -5.187416      37.03597 
1 1 1 10  2  48 o 154.667  12.609  219.453    33.755  218.303    48.912  220.498    46.643  149.740 19.146  151.382 17.999  -1.642349      26.27781 
1 1 1 10  2  49 o 50.804   18.699  21.927     21.820  22.712     31.278  21.183     30.455  55.173  21.853  54.109  21.521  1.064816       30.67124 
1 1 1 10  2  50 o 59.531   18.813  35.192     21.887  59.454     32.112  14.139     29.912  74.849  22.641  50.281  20.829  24.56845       30.76409 
1 1 1 10  2  51 o 59.922   18.696  36.249     21.687  10.940     31.233  59.813     30.137  49.225  20.893  74.800  21.763  -25.57506      30.16831 
1 1 1 10  2  52 o 114.060  14.582  125.348    28.376  112.500    38.620  140.422    41.832  101.859 22.330  114.808 21.662  -12.94934      31.11060 
1 1 1 10  2  53 o 110.808  14.368  119.042    27.145  134.813    38.352  103.210    38.426  112.948 20.188  95.646  23.238  17.30209       30.78241 
1 1 1 10  2  54 o 73.184   23.320  62.672     33.579  45.892     46.514  80.934     48.525  64.539  26.270  78.458  28.020  -13.91896      38.40868 
1 1 1 10  2  55 o 53.727   21.405  27.552     30.171  2.3268     41.665  55.363     43.748  48.966  22.268  66.916  26.041  -17.94973      34.26391 
1 1 1 10  2  56 o 41.702   18.652  1.5148     27.863  31.622     38.606  -31.2190   40.255  56.284  23.518  40.471  19.458  15.81294       30.52381 
1 1 1 10  2  57 o 44.654   19.491  10.031     28.687  2.9620     39.996  17.520     41.169  47.070  21.563  51.367  22.845  -4.296871      31.41376 
1 1 1 10  2  58 o 39.484   16.830  8.4613     20.424  29.376     28.094  -14.9839   29.745  52.159  20.694  37.203  17.553  14.95525       27.13598 
1 1 1 10  2  59 o 42.024   18.051  11.293     23.824  -6.0990    28.967  47.647     41.880  38.636  17.930  59.117  24.580  -20.48178      30.42519 
1 1 1 10  2  60 o 46.282   18.899  21.455     24.171  20.753     29.085  23.024     43.456  47.054  20.071  50.525  22.885  -3.470787      30.43964 
1 1 1 10  2  61 o 41.350   16.799  15.774     18.977  -3.7882    28.736  30.904     25.272  38.136  17.752  50.495  19.753  -12.35814      26.55792 
1 1 1 10  2  62 o 29.483   13.880  -10.0721   18.416  0.1978     26.741  -19.3367   25.399  37.748  17.416  31.962  15.389  5.786592       23.24090 
1 1 1 10  2  63 o 98.658   16.110  111.390    26.793  139.604    37.878  83.137     37.904  100.266 22.220  68.938  24.749  31.32800       33.26059 
1 1 1 10  3  0  o 543.135  16.143  2593.31    153.091 2461.99    216.463 2724.73    216.544 527.169 23.516  554.976 22.346  -27.80707      32.44053 
1 1 1 10  3  1  o 217.094  9.8941  412.549    37.505  407.269    52.948  417.866    53.133  214.941 14.188  217.752 14.050  -2.811096      19.96705 
1 1 1 10  3  2  o 509.797  17.844  2288.73    158.834 1935.49    274.890 2465.77    194.609 462.318 34.298  528.240 21.099  -65.92230      40.26788 
1 1 1 10  3  3  o 209.405  9.2551  383.741    33.840  394.545    48.064  373.122    47.652  211.686 13.068  205.801 13.333  5.884995       18.66881 
1 1 1 10  3  4  o 179.023  9.4847  281.291    29.542  273.947    42.521  288.144    41.075  176.117 13.941  180.768 13.102  -4.651291      19.13200 
1 1 1 10  3  5  o 261.215  10.805  597.691    49.281  572.213    69.965  622.776    69.425  254.624 15.815  265.813 15.020  -11.18933      21.81064 
1 1 1 10  3  6  o 313.929  11.691  863.807    64.085  891.216    90.934  836.761    90.327  317.842 16.441  307.868 16.867  9.973999       23.55489 
1 1 1 10  3  7  o 716.835  28.402  4592.98    355.488 0.0000     0.0000  4592.98    355.488 ?       ?       716.835 28.402  0.000000       28.40166 
1 1 1 10  3  8  o 51.243   14.439  23.681     13.472  0.0000     0.0000  23.681     13.472  ?       ?       51.243  14.439  0.000000       14.43891 
1 1 1 10  3  9  o 283.372  15.579  708.346    76.786  0.0000     0.0000  708.346    76.786  ?       ?       283.372 15.579  0.000000       15.57877 
1 1 1 10  3  10 o 515.659  21.999  2356.52    198.078 0.0000     0.0000  2356.52    198.078 ?       ?       515.659 21.999  0.000000       21.99940 
1 1 1 10  3  11 o 134.613  11.481  160.005    26.727  193.798    50.071  146.540    31.607  146.745 20.067  128.354 14.348  18.39156       24.66937 
1 1 1 10  3  12 o 468.669  16.943  1935.57    138.650 2195.17    240.997 1807.13    169.513 494.415 28.032  451.578 21.499  42.83716       35.32646 
1 1 1 10  3  13 f 313.565  13.033  863.253    71.357  1019.77    125.538 788.549    86.730  338.570 21.345  298.700 16.696  39.87018       27.09908 
1 1 1 10  3  14 o 465.651  14.304  1906.21    116.301 2133.50    164.927 1681.39    164.027 491.262 19.227  435.413 21.575  55.84903       28.89923 
1 1 1 10  3  15 o 140.505  9.7809  173.756    23.846  201.529    36.703  153.469    31.368  150.766 14.106  131.428 13.879  19.33778       19.78939 
1 1 1 10  3  16 o 243.293  10.378  518.751    44.086  560.015    63.124  479.457    61.598  251.935 14.410  232.898 15.231  19.03642       20.96735 
1 1 1 10  3  17 o 108.783  11.786  105.039    22.028  99.362     31.781  110.288    30.560  104.623 18.049  110.709 16.296  -6.086502      24.31752 
1 1 1 10  3  18 o 145.486  12.331  187.157    31.029  150.177    52.398  207.128    38.507  127.725 24.385  152.734 14.618  -25.00851      28.43041 
1 1 1 10  3  19 o 137.855  15.610  169.561    36.913  157.410    50.538  183.455    54.043  131.152 22.902  141.918 22.565  -10.76587      32.15081 
1 1 1 10  3  20 o 418.520  20.135  1554.05    147.142 1511.37    207.560 1597.16    208.625 408.159 29.319  420.003 28.619  -11.84421      40.97137 
1 1 1 10  3  21 o 91.644   17.747  76.729     27.372  53.343     36.120  108.272    41.950  77.395  24.124  108.238 22.911  -30.84329      33.26973 
1 1 1 10  3  22 o 246.825  13.191  537.334    56.646  549.125    69.684  514.364    97.260  248.910 16.120  238.804 23.636  10.10530       28.60963 
1 1 1 10  3  23 o 86.855   16.139  68.697     23.575  47.790     29.235  107.577    39.868  72.671  21.518  108.008 21.889  -35.33688      30.69457 
1 1 1 10  3  24 f 624.691  21.799  3481.69    237.772 3574.03    291.316 3297.40    411.531 629.703 26.495  591.976 40.050  37.72711       48.02045 
1 1 1 10  3  25 o 263.122  13.445  611.236    61.564  644.830    75.563  544.911    106.174 269.628 16.124  244.953 25.183  24.67480       29.90243 
1 1 1 10  3  26 o 275.178  11.923  665.812    57.289  638.539    81.209  692.831    80.829  267.857 17.459  279.292 16.650  -11.43466      24.12571 
1 1 1 10  3  27 o 354.911  14.825  1112.42    91.873  1124.14    112.480 1088.91    159.248 355.312 18.191  345.892 26.571  9.419708       32.20126 
1 1 1 10  3  28 o 236.996  13.498  496.854    55.624  494.473    68.011  501.665    96.668  235.631 16.637  234.935 23.898  0.6955109      29.11895 
1 1 1 10  3  29 o 141.354  15.046  178.653    36.566  173.294    44.644  189.574    63.734  138.235 18.999  142.395 26.612  -4.159561      32.69809 
1 1 1 10  3  30 o 304.297  14.826  819.346    78.777  840.080    97.085  779.383    134.785 306.575 18.218  291.347 26.796  15.22815       32.40241 
1 1 1 10  3  31 o ?        ?       -237.5958  12.122  -231.8313  13.925  -255.6369  24.634  ?       ?       ?       ?       0.000000       ?        
1 1 1 10  3  32 o 357.140  16.073  1133.54    100.231 749.562    172.402 1329.59    123.190 278.874 36.264  385.794 18.288  -106.9195      40.61393 
1 1 1 10  3  33 o 348.487  15.059  1078.10    91.633  897.037    155.658 1174.12    113.356 309.837 29.114  362.432 17.912  -52.59546      34.18291 
1 1 1 10  3  34 o ?        ?       -269.8164  14.520  -298.6886  21.283  -244.6770  19.860  ?       ?       ?       ?       0.000000       ?        
1 1 1 10  3  35 o 152.549  13.275  207.734    35.006  187.641    47.126  232.469    52.287  143.146 19.351  159.649 19.138  -16.50357      27.21635 
1 1 1 10  3  36 o 130.764  13.589  153.400    30.575  137.263    41.704  172.152    44.957  121.599 20.362  136.845 19.355  -15.24533      28.09321 
1 1 1 10  3  37 o 62.354   19.696  35.041     23.994  44.970     33.580  24.684     34.296  70.880  23.378  60.527  23.190  10.35290       32.92891 
1 1 1 10  3  38 o 232.952  11.926  482.501    48.347  421.258    67.765  545.992    68.997  215.022 18.221  246.031 16.151  -31.00887      24.34828 
1 1 1 10  3  39 o 92.885   16.688  80.045     26.070  60.966     35.036  103.715    39.024  79.933  23.525  104.140 22.143  -24.20715      32.30689 
1 1 1 10  3  40 o 119.959  13.462  130.233    27.711  151.389    39.224  109.150    39.155  127.760 18.088  106.747 21.746  21.01334       28.28570 
1 1 1 10  3  41 o 142.221  14.198  183.633    34.786  162.094    61.266  193.881    42.259  126.688 28.398  145.001 17.014  -18.31331      33.10527 
1 1 1 10  3  42 o 66.089   21.774  40.387     29.132  29.533     43.127  49.497     39.509  65.318  25.727  73.229  25.354  -7.910423      36.12060 
1 1 1 10  3  43 o 49.256   21.740  -4.5824    36.598  -4.5824    36.598  0.0000     0.0000  49.256  21.740  ?       ?       0.000000       21.73969 
1 1 1 10  3  44 f 97.279   20.840  92.876     34.332  92.105     50.068  93.560     47.167  93.674  28.256  94.779  27.126  -1.104813      39.16894 
1 1 1 10  3  45 o 108.597  16.093  111.037    29.591  144.342    37.083  52.653     49.099  123.168 17.756  74.919  27.958  48.24964       33.11951 
1 1 1 10  3  46 f 55.287   18.153  28.493     20.254  20.047     28.793  36.766     28.497  53.483  21.035  62.505  21.538  -9.021782      30.10627 
1 1 1 10  3  47 o 58.015   18.650  32.306     21.440  57.343     29.619  4.7496     31.074  74.964  21.507  47.836  20.584  27.12826       29.77006 
1 1 1 10  3  48 o 170.708  12.055  267.281    35.702  286.672    50.557  247.992    50.423  172.871 16.968  159.420 18.456  13.45088       25.07044 
1 1 1 10  3  49 o 73.026   20.519  55.301     27.248  28.439     46.376  69.462     33.673  62.153  25.856  80.536  22.874  -18.38355      34.52206 
1 1 1 10  3  50 o 123.533  13.367  143.791    28.372  125.044    40.378  162.074    39.876  108.650 22.038  127.235 18.490  -18.58421      28.76727 
1 1 1 10  3  51 o 38.086   16.248  3.8161     19.066  10.886     27.428  -2.7941    26.521  46.751  19.696  40.867  18.244  5.884571       26.84698 
1 1 1 10  3  52 o 62.118   18.079  40.222     20.795  30.670     30.936  48.096     28.087  56.692  21.944  66.346  21.348  -9.653996      30.61483 
1 1 1 10  3  53 o 69.855   20.494  53.988     26.627  90.793     44.699  33.744     33.150  84.330  26.910  57.896  22.630  26.43406       35.16051 
1 1 1 10  3  54 o 56.058   21.732  32.337     30.379  61.151     41.667  -0.3627    44.388  69.575  25.796  49.350  22.647  20.22493       34.32643 
1 1 1 10  3  55 o 33.828   16.050  -19.9683   25.535  -10.2113   34.776  -31.3823   37.613  42.049  19.559  39.045  18.782  3.004642       27.11645 
1 1 1 10  3  56 o 65.823   20.607  51.182     26.322  40.542     31.779  74.431     46.978  58.624  22.355  71.389  27.191  -12.76547      35.20077 
1 1 1 10  3  57 o 80.358   17.400  70.762     23.706  51.103     33.907  89.562     33.158  62.701  23.266  85.182  22.103  -22.48159      32.09084 
1 1 1 10  3  58 o 26.984   12.896  -16.7945   17.106  -22.1315   22.856  -9.9983    25.792  30.507  14.666  35.715  16.690  -5.208048      22.21835 
1 1 1 10  3  59 o 39.675   16.748  10.998     19.896  -0.9146    27.734  23.629     28.559  39.024  17.906  48.160  20.183  -9.136246      26.98095 
1 1 1 10  3  60 o 43.814   17.254  19.762     19.394  27.681     28.725  13.128     26.289  49.114  20.384  42.614  18.628  6.499630       27.61330 
1 1 1 10  3  61 o 37.546   16.289  8.5822     19.783  -10.2153   27.869  27.674     28.087  35.542  16.836  48.155  20.085  -12.61357      26.20758 
1 1 1 10  3  62 o 34.203   15.416  2.2581     19.438  -6.0512    27.104  11.058     27.892  35.651  16.801  40.949  18.460  -5.297825      24.96082 
1 1 1 10  4  0  o 350.971  14.767  1082.09    90.498  1059.20    156.534 1093.59    110.913 344.008 26.259  351.829 18.116  -7.821320      31.90151 
1 1 1 10  4  1  o 140.513  11.393  174.143    27.711  140.863    46.360  192.645    34.566  124.353 22.164  147.541 13.570  -23.18822      25.98806 
1 1 1 10  4  2  o 382.217  14.237  1283.00    95.016  936.922    163.888 1458.22    116.614 322.283 29.449  407.088 16.406  -84.80463      33.71054 
1 1 1 10  4  3  o 322.728  13.602  914.304    76.646  740.133    132.034 1002.83    94.129  286.991 26.653  337.640 15.966  -50.64954      31.06918 
1 1 1 10  4  4  o 244.851  12.002  525.686    51.313  423.245    87.620  579.159    63.304  217.175 23.480  256.396 14.196  -39.22083      27.43758 
1 1 1 10  4  5  o 470.683  16.147  1949.66    132.704 2199.09    230.475 1825.95    162.309 495.796 26.722  454.413 20.456  41.38300       33.65282 
1 1 1 10  4  6  o 336.780  13.564  995.909    79.763  1072.11    139.085 958.566    97.365  346.817 23.100  329.445 16.984  17.37195       28.67140 
1 1 1 10  4  7  o 192.585  12.435  326.730    41.590  0.0000     0.0000  326.730    41.590  ?       ?       192.585 12.435  0.000000       12.43454 
1 1 1 10  4  8  o 79.408   12.317  56.610     16.524  71.824     31.882  51.022     19.322  88.334  20.982  74.822  15.306  13.51167       25.97143 
1 1 1 10  4  9  o 85.005   10.503  64.267     15.258  93.861     30.321  54.233     17.656  101.733 17.713  77.472  13.545  24.26108       22.29860 
1 1 1 10  4  10 o 279.668  12.768  686.595    62.351  704.429    108.770 677.867    76.094  280.850 22.366  277.045 15.796  3.804871       27.38135 
1 1 1 10  4  11 o 129.155  9.2639  146.808    20.753  155.807    30.237  138.793    28.535  132.543 13.242  125.016 13.275  7.526817       18.75083 
1 1 1 10  4  12 o 188.164  9.8258  310.992    32.171  308.763    45.774  313.169    45.224  186.882 14.132  188.262 13.855  -1.380203      19.79073 
1 1 1 10  4  13 o 349.013  11.955  1068.93    72.854  1159.10    103.275 979.606    102.788 362.636 16.310  332.628 17.762  30.00821       24.11465 
1 1 1 10  4  14 o 571.880  16.227  2883.01    162.030 3110.91    229.367 2655.98    228.923 591.573 22.205  545.780 24.022  45.79395       32.71296 
1 1 1 10  4  15 o 137.872  9.0782  167.187    21.732  184.187    32.433  153.335    29.277  144.210 13.021  131.491 12.918  12.71901       18.34191 
1 1 1 10  4  16 o 45.790   13.554  18.694     11.601  5.8828     20.461  24.765     14.084  42.570  17.386  52.346  14.768  -9.776863      22.81143 
1 1 1 10  4  17 o 156.594  10.798  216.095    29.345  230.984    42.722  202.795    40.378  161.184 15.366  150.903 15.547  10.28125       21.85910 
1 1 1 10  4  18 o 78.146   13.838  55.304     18.191  28.149     27.803  75.628     24.053  60.075  21.236  91.367  15.639  -31.29172      26.37352 
1 1 1 10  4  19 o 469.377  21.921  1962.89    179.653 1962.89    179.653 0.0000     0.0000  469.377 21.921  ?       ?       0.000000       21.92051 
1 1 1 10  4  20 o 159.554  12.782  225.259    35.312  190.678    43.861  288.967    59.532  145.783 17.586  179.479 19.300  -33.69522      26.11037 
1 1 1 10  4  21 f 40.958   16.178  8.2506     17.099  3.1666     19.938  22.385     33.245  40.626  16.932  59.754  22.846  -19.12842      28.43649 
1 1 1 10  4  22 o 519.595  18.857  2396.84    171.082 2323.93    209.406 2543.20    296.679 509.269 23.549  525.862 32.470  -16.59256      40.11072 
1 1 1 10  4  23 o 151.659  13.355  204.097    35.003  212.021    42.618  187.670    61.360  154.052 16.081  142.343 25.631  11.70908       30.25774 
1 1 1 10  4  24 o 469.062  21.752  1967.75    178.150 1867.97    251.376 2068.44    252.514 449.695 32.228  474.543 30.639  -24.84766      44.46770 
1 1 1 10  4  25 o 211.303  16.138  397.478    59.092  331.511    80.434  474.835    87.101  190.296 24.797  229.259 22.030  -38.96251      33.16916 
1 1 1 10  4  26 o 224.748  16.303  449.858    63.542  385.953    87.932  519.699    91.925  205.289 25.051  239.718 22.214  -34.42921      33.48163 
1 1 1 10  4  27 o 670.294  23.198  4048.25    271.508 3993.20    332.484 4158.44    470.389 660.146 28.845  656.800 41.226  3.346741       50.31493 
1 1 1 10  4  28 o 234.004  17.231  489.447    69.908  489.447    69.908  0.0000     0.0000  234.004 17.231  ?       ?       0.000000       17.23088 
1 1 1 10  4  29 o 106.536  24.278  106.784    44.155  128.821    62.675  85.066     62.218  115.833 30.550  96.676  31.819  19.15670       44.11065 
1 1 1 10  4  30 o 533.680  20.304  2558.83    189.200 2348.54    231.436 2982.55    328.517 505.890 26.291  561.720 33.650  -55.83029      42.70280 
1 1 1 10  4  31 o 54.595   21.235  17.600     29.078  -32.1274   42.918  59.796     39.535  47.559  21.984  80.826  25.246  -33.26779      33.47674 
1 1 1 10  4  32 o ?        ?       -74.9555   19.834  -110.3343  29.983  -47.4280   26.448  25.490  12.938  30.918  15.076  -5.428118      19.86673 
1 1 1 10  4  33 o 163.333  13.778  238.336    38.927  257.857    64.566  227.188    48.793  166.825 22.760  158.178 17.986  8.647354       29.00859 
1 1 1 10  4  34 o 38.834   16.451  1.3404     19.305  10.932     25.919  -10.6102   28.931  49.016  19.731  42.580  19.028  6.435471       27.41169 
1 1 1 10  4  35 o 250.552  13.930  560.493    60.700  470.983    74.253  740.812    105.389 227.489 18.864  284.059 21.406  -56.57021      28.53131 
1 1 1 10  4  36 o 153.122  14.294  211.033    37.775  217.132    46.500  199.198    64.776  154.179 17.588  143.567 26.826  10.61209       32.07780 
1 1 1 10  4  37 o 48.691   18.660  15.466     22.211  29.109     26.743  -14.8671   39.877  59.159  20.836  49.220  22.141  9.938503       30.40384 
1 1 1 10  4  38 o 125.095  15.080  142.639    32.274  117.630    39.680  191.528    55.479  111.175 21.215  141.579 23.250  -30.40376      31.47404 
1 1 1 10  4  39 o 40.183   17.343  -0.7135    22.194  6.1190     34.429  -5.5718    29.031  52.024  22.000  43.931  19.377  8.093163       29.31674 
1 1 1 10  4  40 o 228.430  16.678  478.713    66.060  335.884    92.841  625.182    94.017  181.345 30.396  257.598 21.087  -76.25285      36.99479 
1 1 1 10  4  41 o 199.370  16.498  366.409    56.917  257.501    74.564  518.476    88.108  159.402 27.801  232.891 21.925  -73.48907      35.40626 
1 1 1 10  4  42 o 298.287  17.278  826.146    89.602  647.660    122.350 1032.60    131.586 251.786 28.321  325.859 23.280  -74.07341      36.66150 
1 1 1 10  4  43 o 201.597  16.492  378.551    57.545  293.005    74.520  504.915    90.570  169.679 25.980  226.346 23.247  -56.66690      34.86193 
1 1 1 10  4  44 o 130.419  15.661  159.333    34.950  163.773    40.031  145.093    71.686  130.881 17.993  111.342 33.861  19.53872       38.34441 
1 1 1 10  4  45 o 72.034   18.237  51.217     22.961  54.063     29.626  46.936     36.333  73.040  21.669  69.159  24.292  3.880981       32.55257 
1 1 1 10  4  46 o 52.288   18.756  24.139     21.764  38.967     28.845  4.5395     33.163  63.211  21.676  48.823  21.135  14.38824       30.27455 
1 1 1 10  4  47 o 63.572   18.616  40.529     21.988  39.493     28.643  42.015     34.309  63.042  21.600  65.188  23.529  -2.146164      31.94078 
1 1 1 10  4  48 o 211.005  11.713  409.656    42.985  364.148    59.172  460.503    62.547  192.629 17.794  218.365 16.527  -25.73621      24.28491 
1 1 1 10  4  49 o 35.828   15.620  0.0980     18.377  5.6922     23.142  -9.4505    30.235  42.050  17.919  41.402  18.883  0.6480904      26.03212 
1 1 1 10  4  50 o 77.903   17.298  61.929     22.917  62.654     29.785  60.876     35.877  75.600  21.528  73.024  24.169  2.576462       32.36601 
1 1 1 10  4  51 o 41.602   16.684  11.806     18.455  24.072     23.380  -8.4692    30.059  50.976  19.238  40.888  18.717  10.08840       26.84040 
1 1 1 10  4  52 o 44.123   18.406  11.772     23.595  53.597     38.141  -14.1579   30.031  67.062  24.716  38.933  18.132  28.12900       30.65337 
1 1 1 10  4  53 o 78.958   24.335  77.778     36.870  59.579     47.348  105.817    58.769  67.761  26.871  82.789  30.648  -15.02813      40.75973 
1 1 1 10  4  54 o 46.340   20.197  11.443     30.704  11.387     38.086  11.547     51.895  49.098  21.895  53.190  24.438  -4.092331      32.81137 
1 1 1 10  4  55 o 42.101   17.587  12.147     21.582  21.998     23.703  -35.6240   52.197  47.952  19.014  44.123  21.440  3.829025       28.65625 
1 1 1 10  4  56 o 61.762   18.695  44.192     21.888  51.642     27.756  31.940     35.595  64.390  21.256  53.821  22.543  10.56908       30.98366 
1 1 1 10  4  57 o 99.180   15.117  103.480    25.351  115.651    33.598  87.392     38.628  98.713  20.174  77.706  25.039  21.00706       32.15505 
1 1 1 10  4  58 o 55.548   19.624  38.205     23.739  48.356     33.555  28.033     33.590  58.832  22.831  50.340  21.524  8.492218       31.37715 
1 1 1 10  4  59 o 30.115   14.368  -15.6926   21.042  -27.5456   28.716  -1.9472    30.923  32.584  15.849  39.448  18.380  -6.864147      24.26964 
1 1 1 10  4  60 o 37.556   16.832  5.5409     22.811  6.4963     30.207  4.2730     34.798  40.811  18.711  41.696  19.451  -0.8852692     26.99010 
1 1 1 10  4  61 o 44.250   18.513  22.314     23.965  18.873     31.868  26.791     36.355  44.093  19.818  46.995  21.141  -2.902580      28.97733 
1 1 1 10  5  0  o 207.294  10.554  377.436    38.074  367.108    53.967  387.669    53.723  203.751 15.281  209.493 14.782  -5.742386      21.26026 
1 1 1 10  5  1  o 167.149  10.203  245.630    29.635  227.769    41.948  263.429    41.873  160.232 15.174  172.607 14.015  -12.37482      20.65595 
1 1 1 10  5  2  o 233.862  10.704  479.253    43.707  445.404    61.708  513.328    61.914  224.412 15.850  241.187 14.773  -16.77510      21.66734 
1 1 1 10  5  3  o 340.819  12.399  1019.24    73.784  978.567    104.293 1060.00    104.398 332.544 18.029  346.751 17.243  -14.20657      24.94721 
1 1 1 10  5  4  o 502.658  16.038  2224.87    140.763 2272.75    199.172 2177.10    198.965 505.932 22.546  494.995 23.020  10.93698       32.22225 
1 1 1 10  5  5  f 221.016  10.213  427.976    39.411  543.402    56.622  319.503    54.890  248.420 13.100  189.681 16.745  58.73824       21.26060 
1 1 1 10  5  6  o 470.899  14.762  1950.56    121.375 2077.98    171.867 1823.78    171.434 484.414 20.320  453.384 21.656  31.03030       29.69590 
1 1 1 10  5  7  o 305.908  12.992  821.862    69.395  1022.06    121.212 724.252    84.638  339.030 20.573  286.071 17.021  52.95926       26.70183 
1 1 1 10  5  8  o 91.017   17.599  75.553     26.957  54.991     39.312  93.800     37.034  79.132  25.235  100.937 21.661  -21.80405      33.25665 
1 1 1 10  5  9  o 333.926  18.043  987.947    104.809 941.413    148.473 1034.17    147.971 323.201 26.544  339.371 25.150  -16.16986      36.56656 
1 1 1 10  5  10 f 132.464  12.008  155.266    27.472  153.461    49.789  156.056    32.941  129.504 22.854  132.405 14.485  -2.900269      27.05734 
1 1 1 10  5  11 o 275.462  11.287  665.712    54.287  689.894    77.151  641.997    76.401  279.312 15.885  269.314 16.324  9.998657       22.77752 
1 1 1 10  5  12 o 272.979  10.362  653.330    49.391  689.540    70.475  618.378    69.241  279.512 14.490  264.539 15.052  14.97229       20.89332 
1 1 1 10  5  13 o 417.870  13.653  1536.00    99.616  1506.98    141.094 1564.84    140.664 412.265 19.601  420.244 19.170  -7.979523      27.41648 
1 1 1 10  5  14 o 243.898  10.746  521.837    45.763  510.575    65.061  532.864    64.380  240.124 15.602  245.440 15.096  -5.315445      21.70969 
1 1 1 10  5  15 o 356.403  12.411  1116.29    77.237  1099.20    109.308 1133.34    109.152 351.999 17.843  357.964 17.463  -5.964905      24.96685 
1 1 1 10  5  16 o 141.053  9.5304  175.183    23.335  215.069    34.087  140.010    32.010  155.904 12.631  125.159 14.943  30.74492       19.56598 
1 1 1 10  5  17 o 387.096  13.282  1318.73    89.770  1284.48    126.785 1353.17    127.123 379.935 19.173  390.608 18.639  -10.67239      26.74003 
1 1 1 10  5  18 o 374.856  15.446  1240.59    101.097 1250.99    123.916 1219.88    174.829 374.902 18.992  366.379 27.530  8.522766       33.44535 
1 1 1 10  5  19 o 220.540  15.990  432.104    61.154  432.104    61.154  0.0000     0.0000  220.540 15.990  ?       ?       0.000000       15.98957 
1 1 1 10  5  20 o 276.719  17.149  680.985    82.451  680.985    82.451  0.0000     0.0000  276.719 17.149  ?       ?       0.000000       17.14901 
1 1 1 10  5  21 o 341.728  18.220  1040.20    108.326 1040.20    108.326 0.0000     0.0000  341.728 18.220  ?       ?       0.000000       18.22041 
1 1 1 10  5  22 o 126.912  14.701  144.125    31.974  127.784    38.885  178.242    56.185  118.286 19.507  138.883 24.039  -20.59674      30.95842 
1 1 1 10  5  23 o 218.389  12.893  421.803    48.945  372.521    58.751  533.598    88.487  204.302 16.613  243.297 21.037  -38.99571      26.80563 
1 1 1 10  5  24 o 343.985  14.722  1046.58    88.424  1045.03    107.856 1049.75    154.425 342.144 18.119  338.842 26.307  3.302643       31.94301 
1 1 1 10  5  25 o 153.435  14.186  209.862    37.574  201.020    45.083  229.976    67.995  149.298 17.634  157.271 25.645  -7.972321      31.12270 
1 1 1 10  5  26 o 70.700   21.101  45.585     28.032  98.375     31.897  -133.4894  58.748  103.556 18.310  42.431  21.031  61.12457       27.88490 
1 1 1 10  5  27 o 457.361  17.563  1866.13    140.258 1810.36    171.270 1979.69    244.394 447.823 21.903  460.370 30.577  -12.54654      37.61282 
1 1 1 10  5  28 o 102.657  16.070  95.899     27.859  58.137     35.405  157.290    45.144  79.320  23.724  130.774 20.439  -51.45387      31.31462 
1 1 1 10  5  29 o 209.688  12.145  389.654    44.275  432.976    60.200  338.610    65.346  219.981 15.778  193.067 19.658  26.91399       25.20691 
1 1 1 10  5  30 o 148.464  14.230  197.468    36.436  185.495    59.691  204.579    46.000  140.123 25.329  150.051 17.911  -9.928360      31.02219 
1 1 1 10  5  31 o 39.172   16.859  -1.0160    20.855  7.3001     30.644  -8.1906    28.463  50.681  21.045  43.032  19.073  7.648914       28.40235 
1 1 1 10  5  32 f 144.307  16.973  189.333    41.950  166.949    56.652  216.507    62.419  132.214 25.464  151.472 24.432  -19.25803      35.28919 
1 1 1 10  5  33 o 175.640  13.285  275.928    40.443  257.683    47.917  321.110    75.407  168.611 16.487  184.916 23.915  -16.30493      29.04725 
1 1 1 10  5  34 o 124.603  13.749  140.125    29.415  121.969    34.278  190.840    57.290  114.926 17.646  141.524 24.044  -26.59793      29.82430 
1 1 1 10  5  35 o 33.466   14.745  -4.0871    16.766  -10.1854   19.619  12.427     32.285  33.920  15.369  53.480  21.840  -19.55994      26.70603 
1 1 1 10  5  36 o 110.322  14.743  111.270    27.688  134.073    32.451  50.231     53.091  120.908 15.745  77.581  29.048  43.32703       33.04073 
1 1 1 10  5  37 o 204.269  13.214  375.655    46.878  261.198    77.715  441.119    58.774  161.354 28.633  220.264 15.378  -58.91049      32.50148 
1 1 1 10  5  38 o 42.408   17.300  7.5193     20.229  -3.8262    27.335  21.254     30.076  43.050  18.902  55.760  21.622  -12.70990      28.71904 
1 1 1 10  5  39 o 137.440  13.977  172.573    33.075  162.764    52.645  178.969    42.512  127.928 24.460  138.011 18.076  -10.08298      30.41412 
1 1 1 10  5  40 o 84.603   20.697  70.520     30.323  87.022     39.107  45.640     48.018  92.696  23.980  72.439  27.514  20.25734       36.49742 
1 1 1 10  5  41 o 67.261   20.449  44.123     26.147  56.248     34.413  27.561     40.218  75.004  23.575  62.143  24.727  12.86093       34.16434 
1 1 1 10  5  42 o 54.481   18.543  27.023     21.107  37.304     25.318  3.5897     38.223  62.343  20.287  52.016  22.604  10.32734       30.37259 
1 1 1 10  5  43 o 40.581   16.898  5.9026     19.835  8.8638     22.700  -3.6564    40.786  44.191  18.211  50.876  22.675  -6.685001      29.08210 
1 1 1 10  5  44 o 34.866   15.492  -4.1477    18.893  -0.9746    22.822  -11.0571   33.678  39.619  17.336  44.111  20.045  -4.492298      26.50181 
1 1 1 10  5  45 o 318.351  12.399  931.096    68.924  767.346    94.553  1116.76    100.683 278.444 19.573  341.469 16.887  -63.02567      25.85030 
1 1 1 10  5  46 o 50.069   18.380  22.040     21.063  9.3158     24.185  61.994     42.857  44.658  18.633  74.712  26.370  -30.05442      32.28908 
1 1 1 10  5  47 o 62.159   19.046  39.759     22.624  46.336     27.249  25.166     40.589  66.232  20.997  58.072  24.176  8.160717       32.02163 
1 1 1 10  5  48 o 47.880   18.075  19.838     20.643  10.819     24.913  39.596     36.872  45.146  18.880  62.317  24.003  -17.17097      30.53859 
1 1 1 10  5  49 o 36.554   15.944  1.1264     19.165  -0.1830    22.788  4.2902     35.422  38.762  17.129  47.749  21.215  -8.986645      27.26681 
1 1 1 10  5  50 o 44.119   17.594  14.847     20.401  3.0752     24.568  40.997     36.617  40.952  17.951  61.304  23.834  -20.35258      29.83780 
1 1 1 10  5  51 o 53.564   22.115  25.934     33.561  11.616     43.414  47.198     52.908  51.761  23.208  63.746  27.128  -11.98454      35.70033 
1 1 1 10  5  52 o 128.153  21.933  189.420    47.314  213.866    64.001  159.960    70.259  122.852 30.078  94.972  33.738  27.87920       45.19883 
1 1 1 10  5  53 o 54.043   22.307  30.534     34.135  35.282     44.909  24.039     52.529  57.112  24.660  55.232  25.074  1.880665       35.16786 
1 1 1 10  5  54 o 65.733   20.467  52.353     26.006  59.348     29.436  27.476     55.512  68.593  21.832  55.330  25.367  13.26305       33.46832 
1 1 1 10  5  55 o 58.047   19.201  40.167     22.646  34.912     28.008  50.089     38.486  54.053  20.892  60.153  24.104  -6.100460      31.89760 
1 1 1 10  5  56 o 60.515   19.064  44.613     22.491  46.183     27.297  41.294     39.687  59.584  21.044  55.574  23.567  4.009308       31.59524 
1 1 1 10  5  57 o 46.321   18.943  22.931     24.329  21.303     31.715  25.260     37.925  46.945  20.492  49.206  21.902  -2.260471      29.99394 
1 1 1 10  5  58 o 46.407   19.487  24.057     26.708  36.316     31.856  -4.9486    49.002  51.737  21.469  43.900  21.197  7.837570       30.17003 
1 1 1 10  5  59 o 41.054   18.123  13.430     25.447  25.230     30.543  -13.3524   46.013  46.352  20.174  40.937  19.945  5.415302       28.36924 
1 1 1 10  6  0  o 358.790  12.435  1130.20    77.899  1196.59    110.285 1064.09    110.048 368.248 17.152  346.556 18.251  21.69202       25.04544 
1 1 1 10  6  1  o 356.911  12.458  1118.50    77.634  1141.09    109.897 1096.00    109.686 359.498 17.508  351.793 17.916  7.705414       25.05001 
1 1 1 10  6  2  f 78.205   10.749  54.620     14.289  61.632     20.591  48.107     19.846  82.449  14.849  72.482  16.100  9.966904       21.90231 
1 1 1 10  6  3  o 254.673  10.843  568.776    48.215  568.472    68.197  569.080    68.175  253.559 15.478  253.698 15.464  -0.1391144     21.87927 
1 1 1 10  6  4  o 125.016  9.8844  137.811    21.400  146.460    30.714  129.650    29.835  128.301 13.934  120.531 14.465  7.770302       20.08481 
1 1 1 10  6  5  o 369.596  13.065  1200.64    84.314  1156.21    119.292 1244.99    119.183 360.869 18.999  375.181 18.193  -14.31216      26.30514 
1 1 1 10  6  6  o 237.838  12.065  498.007    49.939  483.645    86.149  505.276    61.287  232.279 21.485  239.082 14.753  -6.803314      26.06223 
1 1 1 10  6  7  o 193.667  11.073  330.163    37.290  371.265    66.112  310.985    45.159  203.916 18.779  187.489 13.893  16.42720       23.35977 
1 1 1 10  6  8  o 117.779  11.589  122.946    23.525  171.050    45.213  105.089    27.547  137.612 19.352  108.206 14.982  29.40513       24.47333 
1 1 1 10  6  9  o 336.802  14.084  998.803    82.826  1051.62    144.516 972.967    101.074 341.920 24.366  331.201 17.540  10.71918       30.02245 
1 1 1 10  6  10 o 321.254  11.879  906.625    66.634  943.153    94.627  870.695    93.849  326.275 16.665  313.302 17.222  12.97275       23.96501 
1 1 1 10  6  11 o 202.396  10.657  360.454    37.530  353.852    53.703  366.756    52.470  199.652 15.527  203.416 14.876  -3.764206      21.50311 
1 1 1 10  6  12 o 245.143  12.761  530.031    54.432  547.676    67.295  496.639    92.573  248.589 15.582  234.630 22.888  13.95946       27.68865 
1 1 1 10  6  13 o 307.710  13.710  834.098    73.662  828.429    90.589  845.163    126.553 305.462 17.053  306.131 23.864  -0.6694336     29.33082 
1 1 1 10  6  14 o 140.408  12.404  174.743    30.097  172.110    37.808  179.298    49.727  138.669 15.903  140.361 20.930  -1.692291      26.28605 
1 1 1 10  6  15 o 401.841  15.464  1426.98    108.500 1521.36    133.339 1242.02    186.664 413.858 18.452  368.188 29.277  45.67068       34.60682 
1 1 1 10  6  16 o 254.148  12.647  568.680    56.124  616.377    68.860  474.294    96.866  263.728 15.016  228.225 24.702  35.50296       28.90777 
1 1 1 10  6  17 o 28.394   13.552  -24.9354   18.757  -24.9354   18.757  0.0000     0.0000  28.394  13.552  ?       ?       0.000000       13.55182 
1 1 1 10  6  18 o 64.143   19.131  37.156     23.047  37.156     23.047  0.0000     0.0000  64.143  19.131  ?       ?       0.000000       19.13095 
1 1 1 10  6  19 o 136.149  16.019  166.443    37.352  166.443    37.352  0.0000     0.0000  136.149 16.019  ?       ?       0.000000       16.01867 
1 1 1 10  6  20 o 169.355  16.029  256.532    46.835  256.532    46.835  0.0000     0.0000  169.355 16.029  ?       ?       0.000000       16.02896 
1 1 1 10  6  21 o 77.412   18.629  55.577     24.876  112.797    31.156  -45.0544   41.317  111.551 16.493  43.700  20.639  67.85130       26.41960 
1 1 1 10  6  22 o 219.208  16.308  429.304    61.972  429.304    61.972  0.0000     0.0000  219.208 16.308  ?       ?       0.000000       16.30778 
1 1 1 10  6  23 o 422.607  14.079  1581.30    103.892 1167.09    145.420 2013.12    148.479 358.018 23.391  474.786 17.910  -116.7679      29.46052 
1 1 1 10  6  24 o ?        ?       -398.7606  21.249  -447.5142  25.185  -278.3193  39.585  ?       ?       ?       ?       0.000000       ?        
1 1 1 10  6  25 f 168.133  12.082  250.911    35.234  212.005    49.959  289.411    49.698  152.518 19.184  179.572 16.018  -27.05466      24.99261 
1 1 1 10  6  26 o 101.297  14.280  92.823     24.557  86.006     33.777  100.465    35.766  95.789  20.792  103.790 20.463  -8.001709      29.17241 
1 1 1 10  6  27 o 106.034  13.804  101.431    24.951  107.481    33.775  94.164     37.020  107.885 18.601  99.936  21.826  7.949440       28.67763 
1 1 1 10  6  28 o 108.973  13.507  107.021    25.149  96.122     34.053  120.098    37.302  101.397 19.944  113.790 19.474  -12.39314      27.87531 
1 1 1 10  6  29 o 148.826  13.901  198.856    35.706  217.651    62.395  189.704    43.539  151.727 24.377  144.119 17.672  7.607483       30.10916 
1 1 1 10  6  30 o 194.621  16.954  343.678    57.038  360.930    77.073  322.789    84.809  196.534 22.888  183.242 27.343  13.29146       35.65866 
1 1 1 10  6  31 o 180.281  13.608  291.693    42.520  334.689    70.362  266.959    53.367  189.425 21.663  170.601 18.196  18.82327       28.29123 
1 1 1 10  6  32 o 87.307   15.151  70.365     22.259  71.438     27.603  68.369     37.638  86.931  18.737  84.076  24.281  2.854897       30.66980 
1 1 1 10  6  33 o 207.931  11.364  385.632    41.102  354.265    55.083  425.035    61.738  197.152 16.143  215.850 16.506  -18.69841      23.08763 
1 1 1 10  6  34 o 75.045   19.051  53.921     25.008  28.857     34.998  80.066     35.746  61.896  23.494  90.457  22.675  -28.56160      32.65201 
1 1 1 10  6  35 o 225.576  17.478  470.125    68.304  0.0000     0.0000  470.125    68.304  ?       ?       225.576 17.478  0.000000       17.47805 
1 1 1 10  6  36 o 146.592  18.424  202.173    46.116  0.0000     0.0000  202.173    46.116  ?       ?       146.592 18.424  0.000000       18.42384 
1 1 1 10  6  37 o 54.983   22.560  15.350     34.651  0.0000     0.0000  15.350     34.651  ?       ?       54.983  22.560  0.000000       22.56011 
1 1 1 10  6  38 f 135.253  20.151  177.181    46.136  0.0000     0.0000  177.181    46.136  ?       ?       135.253 20.151  0.000000       20.15081 
1 1 1 10  6  39 o 58.299   18.298  32.361     20.739  28.424     23.027  49.270     47.725  56.025  19.358  72.767  27.480  -16.74220      33.61382 
1 1 1 10  6  40 o 170.191  16.073  272.642    47.197  272.642    47.197  0.0000     0.0000  170.191 16.073  ?       ?       0.000000       16.07269 
1 1 1 10  6  41 o 39.089   16.217  5.8200     18.172  19.405     20.054  -56.5273   42.961  48.518  17.914  40.531  19.637  7.987091       26.58114 
1 1 1 10  6  42 o 138.348  12.281  176.571    29.360  192.868    39.443  156.322    43.965  141.929 16.207  124.027 21.055  17.90211       26.56966 
1 1 1 10  6  43 o 150.324  11.870  208.436    30.902  183.632    41.251  240.154    46.648  136.732 17.693  156.901 17.316  -20.16901      24.75653 
1 1 1 10  6  44 o 55.276   17.822  30.203     19.567  14.060     24.811  56.763     31.824  47.116  19.183  72.410  22.656  -25.29361      29.68663 
1 1 1 10  6  45 o 90.244   15.692  80.254     23.828  78.240     31.523  82.938     36.395  85.175  21.262  85.891  23.559  -0.7152863     31.73536 
1 1 1 10  6  46 o 55.968   18.417  31.985     20.843  52.514     26.902  1.1543     32.968  69.476  20.657  45.752  20.389  23.72404       29.02455 
1 1 1 10  6  47 o 89.501   16.212  81.014     24.402  63.769     31.595  106.508    38.416  74.543  22.437  96.417  23.118  -21.87389      32.21635 
1 1 1 10  6  48 o 153.508  12.190  224.174    32.405  203.451    43.607  249.728    48.425  139.317 18.374  154.541 18.301  -15.22346      25.93369 
1 1 1 10  6  49 o 41.163   16.615  12.248     18.432  9.2842     23.041  17.515     30.716  42.163  17.922  49.058  20.765  -6.894043      27.42906 
1 1 1 10  6  50 o 62.808   22.312  47.749     30.727  38.893     40.187  60.213     47.677  58.519  24.184  66.267  26.731  -7.747787      36.04720 
1 1 1 10  6  51 o 45.134   19.563  12.392     28.482  16.029     37.012  7.1107     44.600  49.292  21.803  49.142  22.607  0.1492577      31.40774 
1 1 1 10  6  52 o 50.132   21.302  23.863     32.534  -4.5967    42.105  66.028     51.251  45.010  21.126  65.013  27.125  -20.00299      34.38131 
1 1 1 10  6  53 o 26.118   12.656  -22.3724   17.862  -32.3952   20.031  16.535     39.465  25.834  12.705  48.585  21.925  -22.75158      25.34011 
1 1 1 10  6  54 o 39.372   16.684  10.761     19.864  -1.9764    24.301  36.410     34.484  36.675  16.803  53.559  22.290  -16.88434      27.91383 
1 1 1 10  6  55 o 41.463   17.301  15.083     20.854  40.857     26.434  -27.3965   33.936  55.589  20.559  35.449  17.239  20.14020       26.83043 
1 1 1 10  6  56 f 41.267   16.799  16.711     19.024  24.377     22.909  -0.3233    34.148  46.056  18.546  40.460  19.001  5.596153       26.55225 
1 1 1 10  6  57 o 40.570   17.197  15.402     21.116  24.255     23.170  -27.9956   51.299  45.257  18.494  40.238  19.891  5.019539       27.16054 
1 1 1 10  6  58 o 49.430   19.687  34.653     25.517  34.653     25.517  0.0000     0.0000  49.430  19.687  ?       ?       0.000000       19.68735 
1 1 1 10  7  0  o 261.842  12.513  602.754    57.208  667.864    70.707  479.354    97.342  274.858 14.787  230.026 24.618  44.83244       28.71801 
1 1 1 10  7  1  o 286.334  15.928  726.172    79.317  859.945    113.317 597.674    111.061 310.074 21.055  256.893 25.080  53.18106       32.74579 
1 1 1 10  7  2  o 335.101  25.779  1015.74    149.681 0.0000     0.0000  1015.74    149.681 ?       ?       335.101 25.779  0.000000       25.77946 
1 1 1 10  7  3  o 481.410  21.294  2066.36    178.996 2282.84    253.870 1852.34    252.415 500.712 29.164  448.683 32.438  52.02869       43.62025 
1 1 1 10  7  4  o 289.815  13.479  739.660    68.209  754.332    83.831  710.920    117.328 291.595 16.533  280.511 24.191  11.08350       29.30116 
1 1 1 10  7  5  o 467.108  21.989  1949.82    179.344 1817.45    253.888 2081.65    253.374 443.587 33.016  476.682 30.604  -33.09509      45.01791 
1 1 1 10  7  6  o 69.493   16.788  44.440     20.142  146.558    33.038  -15.9702   25.411  127.990 15.072  37.995  17.322  89.99435       22.96163 
1 1 1 10  7  7  o 314.203  17.589  878.095    96.108  863.708    136.744 892.139    135.105 308.454 25.622  313.870 24.856  -5.416016      35.69688 
1 1 1 10  7  8  o 277.362  16.675  683.733    80.380  667.902    114.161 699.297    113.195 271.429 24.347  278.113 23.531  -6.683990      33.85945 
1 1 1 10  7  9  o 257.827  13.336  587.409    59.833  591.266    73.940  580.090    101.839 257.856 16.509  253.130 23.303  4.726318       28.55842 
1 1 1 10  7  10 o 307.008  13.663  831.352    73.242  846.451    90.168  802.070    125.570 308.544 16.800  297.356 24.400  11.18881       29.62441 
1 1 1 10  7  11 o 254.137  12.546  568.902    55.673  579.381    68.875  549.151    94.562  255.418 15.517  246.453 22.213  8.965149       27.09631 
1 1 1 10  7  12 o 557.776  19.450  2776.39    189.429 2796.72    232.258 2735.99    327.381 556.749 23.892  539.959 34.911  16.78973       42.30353 
1 1 1 10  7  13 f 279.601  11.583  688.059    56.551  685.785    80.715  690.252    79.254  277.446 16.740  278.472 16.372  -1.025879      23.41483 
1 1 1 10  7  14 f ?        ?       -436.0649  8.6628  0.0000     0.0000  -436.0649  8.6628  ?       ?       ?       ?       0.000000       ?        
1 1 1 10  7  15 o 148.113  14.630  195.992    37.341  305.349    45.572  -27.4483   65.141  185.285 14.194  62.491  28.188  122.7932       31.55971 
1 1 1 10  7  16 o 457.733  15.644  1859.47    125.031 2014.08    153.251 1551.70    216.220 474.853 18.483  407.950 30.577  66.90314       35.72944 
1 1 1 10  7  17 o 456.285  21.954  1879.41    174.913 1884.76    248.128 1874.13    246.607 447.911 31.936  446.754 31.822  1.156891       45.08321 
1 1 1 10  7  18 f 68.829   25.346  35.736     40.099  35.736     40.099  0.0000     0.0000  68.829  25.346  ?       ?       0.000000       25.34610 
1 1 1 10  7  19 o 83.041   16.518  63.524     23.108  90.457     30.874  29.219     34.845  98.988  18.544  63.387  23.572  35.60035       29.99249 
1 1 1 10  7  20 o 357.828  13.157  1133.56    82.202  1131.40    116.067 1135.73    116.436 354.473 18.820  355.138 18.845  -0.6642761     26.63293 
1 1 1 10  7  21 o 177.865  11.131  280.182    34.395  259.461    47.416  303.194    49.967  169.777 16.191  183.790 15.722  -14.01270      22.56823 
1 1 1 10  7  22 o 307.712  12.135  837.667    65.201  759.556    90.941  920.290    93.531  290.209 18.036  320.209 16.787  -30.00037      24.63948 
1 1 1 10  7  23 o 189.356  11.079  317.762    36.470  297.579    49.932  340.839    53.393  181.791 15.890  194.658 15.847  -12.86700      22.44156 
1 1 1 10  7  24 o 35.957   14.750  4.1479     14.809  1.7170     17.676  9.8717     27.124  37.422  15.791  49.266  20.057  -11.84398      25.52754 
1 1 1 10  7  25 o 92.061   13.480  76.950     21.027  67.959     26.497  92.242     34.556  85.154  18.361  98.838  20.687  -13.68375      27.66005 
1 1 1 10  7  26 o 129.297  11.433  149.287    25.545  136.373    34.204  165.574    38.412  122.063 16.469  134.605 16.702  -12.54192      23.45599 
1 1 1 10  7  27 o 102.503  16.291  96.886     28.182  129.327    47.292  79.022     35.093  115.673 24.193  90.621  22.324  25.05126       32.91909 
1 1 1 10  7  28 o 86.171   18.358  70.118     26.777  102.461    43.626  50.570     33.917  102.285 24.705  73.506  23.439  28.77810       34.05490 
1 1 1 10  7  29 o 285.050  14.074  730.159    70.048  735.869    120.855 727.270    85.959  276.695 25.295  281.798 17.557  -5.102356      30.79086 
1 1 1 10  7  30 o 347.812  14.664  1092.52    89.057  951.102    153.113 1164.82    109.481 309.522 28.656  356.545 17.586  -47.02292      33.62160 
1 1 1 10  7  31 f 349.659  14.680  1107.28    89.626  968.053    154.053 1178.51    110.195 310.741 28.718  357.887 17.634  -47.14645      33.69968 
1 1 1 10  7  32 o 217.911  12.818  428.722    48.555  341.713    81.493  476.609    60.457  185.389 25.881  228.255 15.257  -42.86589      30.04344 
1 1 1 10  7  33 o 78.110   17.010  58.333     22.542  16.474     35.904  85.568     28.961  56.150  22.993  94.513  18.210  -38.36298      29.33021 
1 1 1 10  7  34 o 66.554   18.356  42.938     22.022  13.282     36.763  59.537     27.503  55.075  22.975  77.712  20.113  -22.63689      30.53552 
1 1 1 10  7  35 o 67.893   17.938  44.915     21.584  37.970     34.401  49.425     27.719  64.776  23.533  70.637  20.961  -5.860870      31.51464 
1 1 1 10  7  36 o 91.865   13.830  78.813     21.495  88.210     29.546  68.248     31.331  95.068  18.465  82.014  21.585  13.05379       28.40517 
1 1 1 10  7  37 o 55.517   17.460  29.448     18.873  41.297     23.069  5.4710     32.817  64.604  19.111  49.146  21.150  15.45798       28.50537 
1 1 1 10  7  38 o 124.008  14.579  144.703    30.965  153.652    36.568  122.025    58.210  126.244 17.023  101.941 30.404  24.30302       34.84513 
1 1 1 10  7  39 o 113.080  15.032  121.795    28.945  124.424    33.354  113.778    58.248  112.714 17.516  96.990  30.694  15.72346       35.34039 
1 1 1 10  7  40 o 39.081   16.521  4.6483     19.404  8.0162     21.462  -10.4244   45.404  42.278  17.589  50.251  23.003  -7.972713      28.95703 
1 1 1 10  7  41 o 29.407   13.900  -18.0808   18.805  -32.9620   24.945  1.5085     28.620  31.290  15.112  43.997  19.329  -12.70681      24.53525 
1 1 1 10  7  42 o 83.327   20.009  73.541     28.746  72.304     43.335  74.513     38.413  77.901  26.570  80.213  24.858  -2.311668      36.38472 
1 1 1 10  7  43 o 68.369   20.152  50.514     25.691  62.730     37.163  39.331     35.555  73.234  24.606  61.549  23.605  11.68517       34.09764 
1 1 1 10  7  44 o 35.329   15.227  2.4067     17.060  2.7593     19.997  1.4638     32.698  37.817  16.392  45.240  20.222  -7.422974      26.03120 
1 1 1 10  7  45 o 80.854   18.319  69.801     25.263  73.478     29.420  59.478     49.301  80.901  20.732  68.448  27.333  12.45334       34.30584 
1 1 1 10  7  46 f 103.248  15.820  108.764    27.611  98.506     32.143  137.640    53.931  94.024  20.183  98.631  29.230  -4.607063      35.52119 
1 1 1 10  7  47 o 45.200   18.333  16.741     22.559  16.741     22.559  0.0000     0.0000  45.200  18.333  ?       ?       0.000000       18.33319 
1 1 1 10  7  48 o 77.360   22.956  75.879     33.248  54.110     43.807  105.455    51.061  63.252  25.585  81.931  28.797  -18.67953      38.52100 
1 1 1 10  7  49 o 58.661   22.606  43.347     32.717  58.113     44.799  26.472     47.893  63.437  25.796  53.835  24.237  9.601395       35.39590 
1 1 1 10  7  50 o 74.039   24.232  77.277     36.103  65.580     49.636  90.416     52.608  63.938  26.687  71.623  28.349  -7.684769      38.93423 
1 1 1 10  7  51 o 29.662   14.057  -14.0156   19.474  -14.9749   21.198  -8.8282    49.294  30.762  14.604  45.175  21.670  -14.41274      26.13196 
1 1 1 10  7  52 o 63.475   20.363  52.562     25.569  49.486     29.342  62.270     52.128  59.792  21.732  59.536  26.122  0.2563934      33.98016 
1 1 1 10  7  53 o 37.585   16.630  6.6308     21.545  14.960     24.077  -26.8448   48.269  42.032  18.102  40.654  19.938  1.378147       26.92985 
1 1 1 10  7  54 o 45.937   18.193  25.112     21.676  23.811     24.015  30.831     50.352  45.371  18.718  49.423  23.167  -4.052402      29.78349 
1 1 1 10  7  55 o 28.980   13.690  -9.4747    18.196  -20.9273   22.273  13.506     31.551  28.944  14.051  42.022  19.214  -13.07798      23.80301 
1 1 1 10  8  0  o 578.113  16.952  2967.45    171.121 3100.16    241.901 2834.52    242.101 586.293 23.630  559.727 24.772  26.56598       34.23463 
1 1 1 10  8  1  o 587.904  17.512  3073.14    179.765 3323.76    254.368 2823.07    254.085 606.589 24.016  557.341 26.109  49.24829       35.47499 
1 1 1 10  8  2  o 351.327  13.132  1088.98    80.560  480.216    137.675 1405.94    99.343  223.363 36.566  398.822 14.266  -175.4585      39.25044 
1 1 1 10  8  3  o 585.982  17.242  3053.38    176.412 2785.46    215.609 3596.01    306.841 556.365 22.194  626.603 28.045  -70.23846      35.76487 
1 1 1 10  8  4  o 323.484  18.068  935.257    101.645 1199.14    144.126 674.127    143.373 363.997 22.792  268.233 31.195  95.76465       38.63381 
1 1 1 10  8  5  o 252.238  13.265  563.325    58.219  806.108    102.502 447.705    70.736  299.498 19.711  223.332 18.300  76.16632       26.89653 
1 1 1 10  8  6  o 214.611  16.209  411.345    60.291  324.681    85.439  497.302    85.090  186.726 26.988  234.381 21.015  -47.65524      34.20527 
1 1 1 10  8  7  o 211.912  13.415  398.411    49.382  332.477    60.318  532.439    85.998  192.181 18.192  242.701 20.485  -50.51970      27.39637 
1 1 1 10  8  8  o ?        ?       -80.1701   5.9448  -77.1362   6.2959  -105.1125  18.052  ?       ?       ?       ?       0.000000       ?        
1 1 1 10  8  9  o 298.238  12.147  784.845    63.255  687.461    89.186  883.421    89.730  276.595 18.574  314.648 16.389  -38.05341      24.77125 
1 1 1 10  8  10 o 94.162   12.495  79.632     20.037  76.030     27.439  83.748     29.327  90.735  17.955  95.256  18.298  -4.520271      25.63557 
1 1 1 10  8  11 o 152.026  10.905  204.653    28.756  183.468    39.504  228.531    41.938  142.676 16.141  159.676 15.227  -16.99959      22.18975 
1 1 1 10  8  12 o 213.935  11.003  404.500    40.961  373.780    58.609  433.831    57.269  204.036 16.595  220.457 14.966  -16.42166      22.34685 
1 1 1 10  8  13 o 267.658  11.627  632.521    54.341  632.615    76.786  632.426    76.913  265.645 16.638  265.592 16.670  0.5276489E-01  23.55250 
1 1 1 10  8  14 o 152.026  13.052  206.201    34.310  226.160    42.531  169.009    58.057  158.575 15.561  133.358 25.866  25.21745       30.18641 
1 1 1 10  8  15 o 195.364  12.912  339.667    43.796  302.062    53.615  415.081    75.926  182.902 16.982  213.066 20.669  -30.16360      26.75020 
1 1 1 10  8  16 o 127.977  16.507  148.902    36.026  148.902    36.026  0.0000     0.0000  127.977 16.507  ?       ?       0.000000       16.50692 
1 1 1 10  8  17 o 221.257  13.120  436.174    50.462  466.810    61.859  375.231    87.246  227.974 15.635  199.577 25.629  28.39671       30.02103 
1 1 1 10  8  18 o 93.556   13.100  79.216     20.813  52.342     29.206  106.945    29.666  74.647  21.338  108.097 16.218  -33.44988      26.80200 
1 1 1 10  8  19 o 185.136  11.317  304.584    36.407  276.736    50.995  333.535    51.994  174.530 16.948  192.281 15.622  -17.75169      23.04901 
1 1 1 10  8  20 o 123.794  12.028  137.287    25.670  152.189    35.045  120.034    37.709  129.246 15.862  113.233 19.793  16.01273       25.36453 
1 1 1 10  8  21 o 235.604  11.348  492.467    46.685  456.411    65.473  529.759    66.585  224.109 16.855  242.073 15.841  -17.96367      23.13042 
1 1 1 10  8  22 o 114.799  12.286  118.627    24.245  115.630    32.932  122.175    35.826  111.660 17.463  114.425 18.568  -2.764893      25.49001 
1 1 1 10  8  23 o 181.064  10.881  292.062    34.241  248.247    47.366  340.022    49.555  164.624 16.710  193.843 14.752  -29.21938      22.28987 
1 1 1 10  8  24 o 117.059  14.087  124.850    28.216  125.413    45.568  124.500    35.933  113.300 23.791  115.229 18.484  -1.929214      30.12790 
1 1 1 10  8  25 o 190.764  16.342  333.692    53.908  0.0000     0.0000  333.692    53.908  ?       ?       190.764 16.342  0.000000       16.34212 
1 1 1 10  8  26 o 133.473  17.611  166.302    40.040  0.0000     0.0000  166.302    40.040  ?       ?       133.473 17.611  0.000000       17.61087 
1 1 1 10  8  27 o 53.402   20.005  21.758     25.188  0.0000     0.0000  21.758     25.188  ?       ?       53.402  20.005  0.000000       20.00548 
1 1 1 10  8  28 o 49.493   20.285  11.337     27.975  0.0000     0.0000  11.337     27.975  ?       ?       49.493  20.285  0.000000       20.28466 
1 1 1 10  8  29 o 174.195  13.401  276.744    40.449  267.799    65.965  282.134    51.205  164.289 23.679  173.609 17.115  -9.319824      29.21671 
1 1 1 10  8  30 o 236.236  13.341  509.056    54.805  428.425    91.627  553.971    68.387  204.672 26.244  244.080 16.137  -39.40854      30.80817 
1 1 1 10  8  31 o 150.622  13.049  207.939    33.978  128.904    52.071  266.550    44.841  109.695 27.296  169.183 15.346  -59.48746      31.31397 
1 1 1 10  8  32 o 69.452   16.590  46.901     19.842  29.061     24.691  79.433     33.341  56.672  20.014  88.257  21.771  -31.58539      29.57268 
1 1 1 10  8  33 o 179.287  11.243  292.143    35.019  252.668    47.165  340.637    52.276  162.770 16.839  190.018 15.902  -27.24823      23.16091 
1 1 1 10  8  34 o 159.607  11.174  232.276    30.944  208.786    42.111  259.845    45.621  147.562 16.634  165.288 16.008  -17.72563      23.08591 
1 1 1 10  8  35 o 63.616   16.256  39.945     18.123  55.584     25.063  22.806     26.238  73.835  19.245  52.786  20.269  21.04942       27.94997 
1 1 1 10  8  36 f 30.661   13.713  -4.3775    15.057  0.1863     18.062  -14.7724   27.259  35.758  15.539  37.951  17.535  -2.192993      23.42929 
1 1 1 10  8  37 o 24.795   11.846  -17.4468   14.408  -8.8206    17.633  -34.7776   24.993  31.372  14.351  30.939  14.987  0.4334068      20.75018 
1 1 1 10  8  38 o 90.922   15.144  80.900     23.197  124.279    29.117  5.5394     38.378  113.063 15.128  50.245  22.215  62.81877       26.87677 
1 1 1 10  8  39 o 54.282   17.212  29.797     18.309  16.633     24.034  48.001     28.262  47.345  19.021  66.282  21.424  -18.93654      28.64893 
1 1 1 10  8  40 o 82.230   14.968  67.214     20.699  61.109     27.459  75.250     31.501  74.514  20.474  81.865  21.691  -7.351006      29.82730 
1 1 1 10  8  41 o 28.768   13.086  -5.8795    14.400  -5.9625    17.799  -5.7221    24.500  32.115  14.585  37.633  17.100  -5.517971      22.47505 
1 1 1 10  8  42 o 84.569   17.913  76.166     25.629  73.221     28.889  87.048     55.532  80.535  20.493  76.787  29.487  3.748352       35.90940 
1 1 1 10  8  43 o 38.508   15.488  10.447     15.954  11.582     20.160  8.5460     26.095  41.540  17.145  43.241  18.733  -1.700840      25.39466 
1 1 1 10  8  44 o 85.450   17.977  79.714     25.973  78.194     28.683  86.633     61.206  82.409  20.111  72.152  29.834  10.25674       35.97936 
1 1 1 10  8  45 o 87.370   17.911  84.160     26.407  70.780     29.792  133.202    57.035  75.937  21.498  88.995  30.481  -13.05721      37.29898 
1 1 1 10  8  46 o 99.624   21.742  121.365    36.759  88.359     46.286  177.732    60.487  74.551  27.265  102.885 31.063  -28.33347      41.33115 
1 1 1 10  8  47 o 70.015   22.968  67.008     32.427  44.289     38.664  120.887    59.542  57.325  23.708  78.293  30.405  -20.96814      38.55548 
1 1 1 10  8  48 o 59.422   21.983  48.115     30.228  61.059     36.775  21.156     53.074  63.690  24.105  51.013  23.872  12.67688       33.92527 
1 1 1 10  8  49 o 47.832   20.318  25.034     29.578  23.287     36.599  28.324     50.220  48.228  21.488  51.066  23.667  -2.837997      31.96690 
1 1 1 10  8  50 o 38.936   17.338  7.7945     23.792  23.050     27.239  -41.3066   48.867  45.975  19.512  38.867  19.249  7.107670       27.40902 
1 1 1 10  8  51 o 34.692   15.987  -1.1166    22.437  -22.1441   25.307  76.140     48.507  30.933  15.007  60.555  25.878  -29.62162      29.91413 
1 1 1 10  8  52 o 47.356   19.661  30.044     26.739  21.202     31.132  54.909     52.209  44.188  19.743  52.544  24.274  -8.356853      31.28981 
1 1 1 10  9  0  o 32.311   12.982  4.3836     11.197  -7.8055    17.502  12.828     14.568  32.776  14.713  41.915  15.301  -9.138470      21.22696 
1 1 1 10  9  1  o 29.378   12.401  0.7754     10.907  10.047     16.956  -5.7682    14.245  41.765  16.224  29.899  13.357  11.86560       21.01484 
1 1 1 10  9  2  o 134.719  12.528  162.031    29.133  192.002    52.128  148.418    35.131  143.971 21.386  127.958 16.079  16.01332       26.75650 
1 1 1 10  9  3  o ?        ?       -29.3013   4.9951  2.5329     24.231  -30.7142   5.1048  43.754  18.477  ?       ?       0.000000       18.47692 
1 1 1 10  9  4  o 237.917  13.761  504.656    56.923  472.166    99.610  520.412    69.366  224.313 25.909  240.484 16.621  -16.17027      30.78215 
1 1 1 10  9  5  o 44.864   14.878  17.130     13.592  9.8940     18.784  25.084     19.693  43.089  16.977  53.950  17.909  -10.86062      24.67641 
1 1 1 10  9  6  o 62.199   14.346  35.806     15.263  28.981     21.146  43.228     22.052  57.289  18.533  68.058  18.203  -10.76896      25.97697 
1 1 1 10  9  7  o 154.225  12.266  212.146    32.759  205.932    39.895  225.007    57.395  151.039 15.340  155.517 21.730  -4.478073      26.59925 
1 1 1 10  9  8  o 39.387   14.734  10.593     13.654  28.348     18.720  -9.5909    19.959  56.058  17.350  34.601  15.605  21.45744       23.33539 
1 1 1 10  9  9  o 150.703  12.558  203.053    32.743  202.929    40.002  203.303    56.998  149.740 15.526  146.931 22.969  2.808563       27.72399 
1 1 1 10  9  10 o 123.425  12.998  136.980    27.591  131.807    33.484  147.923    48.697  120.025 16.407  124.679 23.224  -4.653259      28.43463 
1 1 1 10  9  11 o 55.057   18.705  25.922     21.477  22.774     27.547  30.801     34.297  55.921  20.927  63.216  23.411  -7.295223      31.40049 
1 1 1 10  9  12 o 57.858   17.953  30.446     20.029  30.446     20.029  0.0000     0.0000  57.858  17.953  ?       ?       0.000000       17.95283 
1 1 1 10  9  13 o 302.121  17.636  831.516    92.630  827.145    130.728 835.922    131.272 294.624 25.668  296.226 25.632  -1.602448      36.27502 
1 1 1 10  9  14 o 89.562   15.238  74.053     22.976  88.821     28.682  47.603     38.385  97.547  17.482  72.745  25.002  24.80213       30.50738 
1 1 1 10  9  15 o 237.892  16.325  514.982    67.401  509.993    94.301  520.193    96.371  231.714 23.639  233.796 23.945  -2.082657      33.64761 
1 1 1 10  9  16 o 133.413  13.191  160.865    30.325  138.538    50.376  173.553    37.976  118.669 25.096  137.512 16.123  -18.84303      29.82881 
1 1 1 10  9  17 o 170.077  12.694  260.285    37.426  241.689    62.925  270.464    46.555  158.380 23.464  172.077 15.666  -13.69734      28.21333 
1 1 1 10  9  18 o 54.955   17.549  27.447     19.007  8.0377     29.397  41.390     24.915  49.338  20.561  66.139  19.929  -16.80045      28.63385 
1 1 1 10  9  19 o 349.888  15.270  1112.61    93.289  1127.67    161.014 1105.00    114.457 336.821 27.621  344.452 19.105  -7.631409      33.58487 
1 1 1 10  9  20 o 102.629  14.613  97.264     25.446  86.560     39.612  104.785    33.203  92.926  24.181  104.840 18.830  -11.91415      30.64787 
1 1 1 10  9  21 o 96.686   14.558  86.651     23.814  64.265     37.494  101.788    30.831  80.274  24.506  103.638 17.671  -23.36489      30.21268 
1 1 1 10  9  22 f 66.205   16.926  42.051     19.642  25.416     29.766  54.881     26.141  57.232  21.681  74.920  19.715  -17.68756      29.30440 
1 1 1 10  9  23 o 73.066   16.338  51.103     20.322  0.8256     30.791  89.905     27.050  46.846  20.322  97.462  16.483  -50.61652      26.16645 
1 1 1 10  9  24 o 84.291   20.742  70.751     30.320  0.0000     0.0000  70.751     30.320  ?       ?       84.291  20.742  0.000000       20.74179 
1 1 1 10  9  25 o 96.196   19.933  91.375     32.381  0.0000     0.0000  91.375     32.381  ?       ?       96.196  19.933  0.000000       19.93348 
1 1 1 10  9  26 o 68.190   18.417  45.828     22.444  43.792     37.053  47.008     28.207  67.797  24.455  68.668  21.304  -0.8712921     32.43344 
1 1 1 10  9  27 o 191.264  11.043  331.559    36.723  308.759    50.855  356.403    53.086  180.714 16.292  194.714 15.749  -13.99951      22.65965 
1 1 1 10  9  28 o 108.585  12.467  109.042    23.208  133.266    30.834  77.383     35.249  118.628 15.238  85.787  23.043  32.84017       27.62578 
1 1 1 10  9  29 o 57.012   15.841  31.717     16.335  14.427     20.559  61.322     26.903  45.479  17.809  77.530  19.802  -32.05091      26.63273 
1 1 1 10  9  30 o 47.596   15.982  20.938     15.678  8.1909     19.686  43.045     25.925  41.244  16.973  64.947  20.469  -23.70235      26.59089 
1 1 1 10  9  31 o 85.961   13.727  70.431     19.910  66.976     26.291  75.076     30.488  80.913  18.943  84.600  20.788  -3.686348      28.12437 
1 1 1 10  9  32 o 106.725  12.861  107.303    23.484  116.369    30.794  94.701     36.306  108.569 16.786  93.475  22.512  15.09348       28.08136 
1 1 1 10  9  33 o 74.327   16.290  55.415     20.558  60.405     27.431  49.021     31.051  75.202  20.381  67.224  22.493  7.978622       30.35311 
1 1 1 10  9  34 o 45.567   17.431  17.180     19.359  9.8125     22.158  40.948     39.796  42.963  17.872  63.045  24.751  -20.08278      30.52954 
1 1 1 10  9  35 o 178.261  13.024  302.305    40.258  259.748    48.352  398.465    72.683  159.925 17.607  190.817 22.232  -30.89247      28.35939 
1 1 1 10  9  36 f 72.382   18.507  56.047     23.481  39.605     27.482  100.509    45.194  60.302  21.130  88.619  26.871  -28.31710      34.18406 
1 1 1 10  9  37 o 109.099  13.993  116.916    26.042  143.150    35.833  87.548     37.913  116.717 18.174  84.488  24.360  32.22947       30.39288 
1 1 1 10  9  38 o 38.928   15.758  10.255     16.631  29.300     20.803  -23.4812   27.687  52.783  18.390  34.600  16.500  18.18273       24.70769 
1 1 1 10  9  39 o 51.100   17.169  27.526     18.092  32.170     23.031  20.041     29.237  54.323  19.314  49.102  20.487  5.220924       28.15603 
1 1 1 10  9  40 o 63.631   19.536  46.898     23.790  84.169     37.994  22.863     30.511  79.414  24.740  50.136  20.924  29.27814       32.40230 
1 1 1 10  9  41 o 54.563   20.766  34.317     27.386  38.727     35.600  27.923     42.863  56.763  23.028  53.724  23.627  3.039188       32.99255 
1 1 1 10  9  42 o 62.957   18.402  46.024     21.503  36.887     24.636  75.250     44.061  55.643  19.955  69.641  26.379  -13.99828      33.07666 
1 1 1 10  9  43 o 15.824   8.0324  -40.0316   11.562  -45.8088   12.375  -0.3501    32.432  ?       ?       41.509  19.161  0.000000       19.16100 
1 1 1 10  9  44 o 62.129   25.212  61.691     42.688  0.0000     0.0000  61.691     42.688  ?       ?       62.129  25.212  0.000000       25.21220 
1 1 1 10  9  45 f 44.404   20.311  10.774     35.304  0.0000     0.0000  10.774     35.304  ?       ?       44.404  20.311  0.000000       20.31079 
1 1 1 10  9  46 o 52.127   20.252  35.887     26.425  0.0000     0.0000  35.887     26.425  ?       ?       52.127  20.252  0.000000       20.25186 
1 1 1 10  9  47 o 44.890   16.298  23.269     16.497  -3.5660    22.041  57.446     24.874  33.756  15.657  65.196  19.970  -31.44029      25.37607 
1 1 1 10  9  48 o 58.448   17.311  42.882     18.919  38.741     24.505  48.991     29.767  52.466  19.717  55.965  21.564  -3.498764      29.21923 
1 1 1 10  9  49 o 92.975   18.179  109.000    28.454  105.699    33.740  117.131    52.951  83.115  22.637  67.189  27.763  15.92561       35.82167 
1 1 1 10  10 0  o 213.291  15.511  413.039    57.370  0.0000     0.0000  413.039    57.370  ?       ?       213.291 15.511  0.000000       15.51082 
1 1 1 10  10 1  o 96.044   15.715  85.397     25.443  0.0000     0.0000  85.397     25.443  ?       ?       96.044  15.715  0.000000       15.71541 
1 1 1 10  10 2  o 328.553  16.981  985.835    97.081  0.0000     0.0000  985.835    97.081  ?       ?       328.553 16.981  0.000000       16.98059 
1 1 1 10  10 3  o 260.985  12.867  609.884    58.635  724.316    101.592 552.724    71.801  277.998 21.087  245.786 16.832  32.21161       26.98064 
1 1 1 10  10 4  o 224.552  12.308  452.016    48.072  465.552    83.481  445.301    58.799  221.880 21.831  221.306 15.311  0.5734253      26.66454 
1 1 1 10  10 5  o 33.056   13.497  3.9887     12.327  27.867     29.064  -1.2491    13.612  58.876  21.594  31.260  13.536  27.61604       25.48588 
1 1 1 10  10 6  o 226.045  14.980  464.574    58.788  548.530    85.331  388.726    81.106  241.713 20.409  200.918 23.567  40.79514       31.17578 
1 1 1 10  10 7  o 380.838  18.658  1342.06    124.069 1544.45    176.531 1144.51    174.409 398.334 25.515  336.198 30.027  62.13599       39.40335 
1 1 1 10  10 8  o 206.562  15.194  389.589    54.418  445.147    79.396  340.367    74.732  216.479 21.280  187.587 23.319  28.89174       31.56936 
1 1 1 10  10 9  o 98.981   16.008  91.479     26.722  65.255     44.185  106.602    33.554  81.378  26.816  105.803 18.854  -24.42476      32.78065 
1 1 1 10  10 10 o 271.334  17.202  681.187    81.077  771.855    114.945 591.409    114.379 282.138 23.548  242.511 27.498  39.62691       36.20262 
1 1 1 10  10 11 f 40.720   17.270  2.7610     21.318  13.178     28.216  -11.0930   32.540  50.544  20.502  44.342  19.969  6.201344       28.61998 
1 1 1 10  10 12 o 126.381  17.249  150.118    37.070  164.382    51.371  134.621    53.547  128.535 23.765  113.861 27.290  14.67332       36.18684 
1 1 1 10  10 13 o 249.425  16.782  577.925    72.663  654.297    103.463 503.591    102.074 258.655 23.154  222.846 26.769  35.80922       35.39288 
1 1 1 10  10 14 o 313.297  14.259  895.791    78.002  830.451    133.467 929.685    96.127  285.225 27.126  315.310 17.529  -30.08508      32.29684 
1 1 1 10  10 15 o 208.907  10.845  392.390    39.422  331.245    54.250  460.807    57.385  188.195 16.682  223.721 14.773  -35.52557      22.28344 
1 1 1 10  10 16 o 224.997  11.702  457.787    45.815  405.368    64.280  511.911    65.317  206.906 17.971  234.462 16.051  -27.55525      24.09576 
1 1 1 10  10 17 o 129.620  12.507  153.754    27.955  142.957    39.024  165.136    40.067  121.425 19.031  131.343 17.940  -9.918297      26.15413 
1 1 1 10  10 18 o 174.675  11.644  277.136    35.310  251.890    48.585  305.400    51.407  162.708 17.370  179.951 16.546  -17.24329      23.98944 
1 1 1 10  10 19 o 49.208   17.333  21.172     18.507  17.464     26.040  24.955     26.306  50.543  19.965  54.696  20.454  -4.152458      28.58206 
1 1 1 10  10 20 o 59.590   18.293  34.656     20.859  27.167     27.994  44.004     31.277  56.364  21.095  66.566  22.573  -10.20206      30.89562 
1 1 1 10  10 21 o 55.811   20.018  28.322     24.793  19.052     42.187  33.212     30.642  58.202  24.468  60.200  22.159  -1.998863      33.01046 
1 1 1 10  10 22 o 38.110   16.562  0.2086     20.524  30.990     38.289  -12.2018   24.312  61.062  24.180  36.625  16.790  24.43728       29.43803 
1 1 1 10  10 23 o 90.093   18.298  81.213     27.802  89.972     44.650  75.668     35.530  89.095  26.641  83.776  23.393  5.319221       35.45366 
1 1 1 10  10 24 o 34.845   15.938  -10.2658   21.739  23.889     36.759  -28.6349   26.958  56.969  23.289  34.100  16.267  22.86896       28.40817 
1 1 1 10  10 25 o 42.365   17.130  10.745     19.631  9.5360     26.797  12.146     28.841  46.169  19.460  48.404  20.284  -2.234230      28.10929 
1 1 1 10  10 26 o 84.095   16.598  70.528     23.507  74.120     32.401  66.535     34.157  82.555  22.058  77.372  23.339  5.182869       32.11275 
1 1 1 10  10 27 o 44.016   17.616  13.301     20.528  25.824     29.106  0.9056     28.956  54.248  21.205  43.666  19.302  10.58196       28.67382 
1 1 1 10  10 28 f 62.893   20.061  42.070     24.845  54.484     41.169  34.959     31.158  68.996  25.630  58.956  22.218  10.04029       33.91930 
1 1 1 10  10 29 f 45.681   16.896  18.626     17.855  22.662     22.304  11.426     29.794  49.810  18.792  47.505  20.290  2.305553       27.65553 
1 1 1 10  10 30 o 137.162  12.173  178.285    28.850  193.346    39.530  161.121    42.200  138.302 16.708  122.164 20.511  16.13786       26.45460 
1 1 1 10  10 31 o 46.077   17.147  19.524     18.443  23.911     24.188  13.433     28.506  50.487  19.442  47.065  19.967  3.422493       27.86898 
1 1 1 10  10 32 o 103.759  16.137  110.096    28.285  126.591    34.361  75.425     49.816  108.703 18.783  73.559  28.004  35.14461       33.71963 
1 1 1 10  10 33 o 56.112   18.513  34.295     21.057  32.285     24.843  39.422     39.679  54.695  19.979  59.234  24.204  -4.539673      31.38464 
1 1 1 10  10 34 o 65.062   19.101  48.027     23.122  58.542     27.923  25.086     41.242  70.128  21.090  53.806  23.431  16.32182       31.52431 
1 1 1 10  10 35 o 41.820   16.334  15.208     17.260  9.3610     24.298  21.163     24.521  42.102  18.159  47.668  19.191  -5.565311      26.42008 
1 1 1 10  10 36 o 36.088   16.267  -1.2047    21.653  -3.6976    27.474  2.8828     35.180  38.845  17.823  44.386  20.292  -5.541302      27.00788 
1 1 1 10  10 37 o 122.850  16.242  161.225    33.986  170.782    42.191  143.564    57.357  119.775 20.936  90.480  30.569  29.29472       37.05087 
1 1 1 10  10 38 o 54.872   19.715  36.389     24.056  22.232     29.554  64.187     41.413  48.019  20.349  64.706  25.293  -16.68745      32.46259 
1 1 1 10  10 39 o 54.305   21.401  37.731     29.858  72.182     42.667  4.6700     41.797  66.470  25.759  45.467  21.246  21.00297       33.39068 
1 1 1 10  10 40 o 36.299   16.887  -5.1695    25.938  44.603     37.598  -50.3678   35.829  55.710  23.237  32.992  16.365  22.71821       28.42159 
1 1 1 10  10 41 o 48.926   20.740  28.703     30.715  1.1510     47.406  48.639     40.325  44.809  21.430  55.826  23.719  -11.01686      31.96592 
1 1 1 10  10 42 f 32.953   15.168  -2.8143    20.120  10.670     33.107  -10.7104   25.335  42.691  19.579  33.782  16.016  8.909351       25.29562 
1 1 1 10  10 43 o 47.368   18.656  28.402     22.675  18.735     35.525  35.048     29.456  44.690  20.416  49.995  20.686  -5.305260      29.06421 
1 1 1 10  10 44 o 51.300   21.135  40.670     30.567  0.0000     0.0000  40.670     30.567  ?       ?       51.300  21.135  0.000000       21.13498 
1 1 1 10  10 45 f 43.700   18.126  23.998     22.693  5.7140     41.105  32.014     27.216  41.131  19.746  47.141  19.726  -6.010799      27.91071 
1 1 1 10  11 0  o 323.310  13.117  951.310    74.049  951.638    104.890 950.984    104.552 315.811 19.111  315.786 19.051  0.2459717E-01  26.98490 
1 1 1 10  11 1  o 163.015  11.080  240.133    31.351  235.325    45.115  244.624    43.599  158.131 16.586  161.903 15.616  -3.771851      22.78112 
1 1 1 10  11 2  o 231.745  11.686  486.317    47.136  456.912    67.085  514.990    66.243  219.667 17.639  234.621 16.271  -14.95399      23.99730 
1 1 1 10  11 3  o 53.407   15.726  27.097     15.653  31.304     23.378  23.678     21.074  57.927  19.516  52.116  18.481  5.811226       26.87796 
1 1 1 10  11 4  o 94.861   12.841  83.273     20.723  90.201     30.251  77.148     28.445  95.986  18.722  88.476  18.981  7.509460       26.66122 
1 1 1 10  11 5  o 76.287   14.498  55.208     18.605  44.926     27.018  64.482     25.658  67.254  20.848  80.833  18.569  -13.57902      27.91899 
1 1 1 10  11 6  o 113.957  12.282  119.331    24.052  102.416    31.971  141.388    36.508  102.302 18.583  121.065 17.802  -18.76299      25.73401 
1 1 1 10  11 7  o 143.912  11.712  189.022    29.174  156.672    39.327  228.612    43.507  127.104 18.243  155.356 16.280  -28.25194      24.45129 
1 1 1 10  11 8  o 73.112   17.627  52.741     22.240  59.291     26.549  37.331     40.721  76.705  19.715  65.110  25.184  11.59500       31.98268 
1 1 1 10  11 9  o 122.830  14.114  141.179    29.720  149.267    35.920  123.624    52.917  124.573 16.954  104.827 28.265  19.74624       32.96022 
1 1 1 10  11 10 o 157.951  13.291  231.273    36.316  248.885    44.332  195.343    63.322  161.930 15.884  132.483 28.237  29.44768       32.39764 
1 1 1 10  11 11 o 82.391   14.601  64.871     20.236  53.103     26.421  81.570     31.474  72.062  20.191  89.225  20.617  -17.16318      28.85682 
1 1 1 10  11 12 o 93.101   13.963  82.056     21.998  65.598     29.261  103.451    33.361  79.561  20.821  101.297 19.570  -21.73586      28.57450 
1 1 1 10  11 13 o 89.106   13.978  75.456     21.033  58.386     27.091  101.358    33.372  75.163  20.206  99.854  19.839  -24.69096      28.31755 
1 1 1 10  11 14 o 184.321  10.890  310.398    34.894  262.837    47.910  364.130    50.923  164.516 16.919  195.887 15.002  -31.37090      22.61276 
1 1 1 10  11 15 o 184.931  10.953  313.130    35.209  236.837    47.868  403.068    51.972  154.731 18.057  206.365 14.516  -51.63387      23.16836 
1 1 1 10  11 16 o 78.366   15.080  59.933     19.886  46.231     25.977  79.329     30.907  66.513  20.414  86.822  20.682  -20.30884      29.05981 
1 1 1 10  11 17 o 223.046  11.359  458.559    44.091  399.960    61.189  521.843    63.589  201.015 17.611  232.426 15.762  -31.41071      23.63451 
1 1 1 10  11 18 o 175.648  11.973  287.159    36.503  239.728    50.916  337.317    52.359  152.936 19.511  185.661 16.317  -32.72429      25.43510 
1 1 1 10  11 19 f 85.128   18.631  75.186     26.924  50.309     49.717  85.508     32.026  68.113  27.360  89.129  20.935  -21.01625      34.45044 
1 1 1 10  11 20 o 157.221  13.737  236.458    37.332  215.463    65.205  246.695    45.534  131.727 29.123  157.272 16.843  -25.54561      33.64321 
1 1 1 10  11 21 o 54.966   20.164  30.050     25.344  8.1358     43.723  41.139     31.102  52.400  23.406  61.801  22.388  -9.400475      32.38957 
1 1 1 10  11 22 o 78.066   18.662  64.825     25.092  81.041     31.147  34.842     42.353  85.549  21.006  60.012  24.816  25.53648       32.51281 
1 1 1 10  11 23 o 87.624   18.400  81.307     27.255  84.559     34.367  75.793     44.744  85.388  22.671  76.366  26.945  9.022705       35.21408 
1 1 1 10  11 24 o 140.826  12.666  190.324    30.812  197.166    42.472  182.723    44.768  137.183 18.179  129.226 20.527  7.956879       27.41974 
1 1 1 10  11 25 o 40.956   16.926  10.514     19.684  -15.4618   26.367  43.218     29.585  35.740  16.757  61.366  21.883  -25.62674      27.56180 
1 1 1 10  11 26 o 41.427   16.923  12.032     19.391  5.4767     25.681  20.727     29.576  41.875  18.355  49.774  20.673  -7.898903      27.64526 
1 1 1 10  11 27 f 33.668   15.060  -1.8526    18.170  1.8563     26.036  -5.3743    25.370  40.491  18.076  37.640  17.217  2.850327       24.96349 
1 1 1 10  11 28 f 86.690   20.219  86.709     30.044  59.592     34.248  177.269    62.587  67.786  23.598  105.123 31.565  -37.33691      39.41095 
1 1 1 10  11 29 o 70.074   22.489  62.611     31.184  62.611     31.184  0.0000     0.0000  70.074  22.489  ?       ?       0.000000       22.48872 
1 1 1 10  11 30 o 51.357   21.256  27.524     31.114  27.524     31.114  0.0000     0.0000  51.357  21.256  ?       ?       0.000000       21.25622 
1 1 1 10  11 31 o 68.613   22.127  61.526     30.161  61.526     30.161  0.0000     0.0000  68.613  22.127  ?       ?       0.000000       22.12665 
1 1 1 10  11 32 o 67.757   20.553  57.787     26.437  54.290     29.823  70.617     57.123  63.788  22.031  63.356  27.582  0.4327583      35.30084 
1 1 1 10  11 33 o 48.652   19.006  26.625     23.374  18.687     25.368  71.250     60.149  45.045  18.957  61.894  27.564  -16.84853      33.45393 
1 1 1 10  11 34 o 100.405  25.098  145.334    43.880  124.294    55.571  180.178    71.512  78.356  29.638  85.088  33.244  -6.732079      44.53705 
1 1 1 10  11 35 o 29.481   14.572  -40.3891   27.507  -52.2396   31.628  -3.5959    55.729  30.246  15.064  45.957  22.290  -15.71042      26.90288 
1 1 1 10  11 36 o 68.477   21.426  65.837     28.460  52.209     45.619  74.522     36.417  55.483  24.388  67.384  24.252  -11.90029      34.39385 
1 1 1 10  11 37 o 66.816   18.517  56.721     22.350  64.450     28.271  43.838     36.497  66.786  21.410  53.009  22.544  13.77719       31.09101 
1 1 1 10  11 38 o 44.857   18.143  24.277     22.025  26.550     29.525  21.425     33.073  46.168  19.964  44.752  20.145  1.416168       28.36170 
1 1 1 10  11 39 o 39.029   17.465  11.281     24.456  15.653     38.446  8.3092     31.696  43.240  20.261  40.133  18.669  3.107082       27.55055 
1 1 1 10  11 40 o 49.942   21.723  43.341     35.369  0.0000     0.0000  43.341     35.369  ?       ?       49.942  21.723  0.000000       21.72311 
1 1 1 10  12 0  o 41.688   14.452  15.513     12.840  35.039     21.896  5.2805     15.851  58.792  18.842  36.343  15.117  22.44875       24.15672 
1 1 1 10  12 1  o 64.819   14.988  41.481     16.624  68.578     26.685  24.295     21.252  81.288  19.121  51.229  18.514  30.05891       26.61544 
1 1 1 10  12 2  o 25.189   11.153  -2.2762    9.7079  2.0875     19.793  -3.6584    11.140  37.863  16.360  26.301  11.776  11.56256       20.15742 
1 1 1 10  12 3  o 206.339  11.421  393.774    40.986  333.592    57.244  457.076    58.709  182.210 18.238  217.236 15.581  -35.02666      23.98732 
1 1 1 10  12 4  o 105.879  13.418  106.919    24.249  91.955     33.644  123.097    34.982  92.408  21.290  109.404 19.002  -16.99656      28.53650 
1 1 1 10  12 5  o 68.101   18.255  48.255     22.150  40.964     26.480  65.245     40.420  62.283  20.771  74.609  25.655  -12.32618      33.00913 
1 1 1 10  12 6  o 74.897   17.692  57.859     22.769  79.504     26.621  -1.1113    43.941  87.987  17.936  50.558  22.944  37.42937       29.12318 
1 1 1 10  12 7  o 61.917   18.777  40.247     22.066  26.567     26.151  74.062     41.115  53.411  20.300  78.397  25.869  -24.98531      32.88366 
1 1 1 10  12 8  o 146.038  13.782  204.770    34.728  175.395    41.725  270.990    62.649  130.145 18.915  155.475 23.838  -25.33025      30.43077 
1 1 1 10  12 9  o 30.736   13.877  -5.1467    15.832  -7.9619    20.138  -0.5903    25.620  33.669  15.377  40.546  18.027  -6.876656      23.69474 
1 1 1 10  12 10 o 96.880   13.815  91.255     22.707  66.752     29.706  125.697    35.220  77.239  21.325  109.252 19.161  -32.01215      28.66925 
1 1 1 10  12 11 o 96.320   14.461  91.312     23.570  60.609     30.605  136.066    36.951  72.713  22.128  113.259 19.382  -40.54595      29.41560 
1 1 1 10  12 12 o 65.011   17.373  44.561     20.097  57.254     26.493  27.355     30.844  71.787  20.255  54.127  21.618  17.66047       29.62394 
1 1 1 10  12 13 o 38.677   15.533  10.061     16.021  8.5960     20.240  12.520     26.218  40.529  16.988  45.615  19.239  -5.086353      25.66583 
1 1 1 10  12 14 o 215.955  11.599  440.457    43.577  377.845    60.226  509.260    63.133  189.500 18.435  224.378 16.224  -34.87807      24.55721 
1 1 1 10  12 15 o 84.264   17.768  75.587     25.319  51.949     29.176  147.675    50.951  66.562  21.784  106.178 27.323  -39.61660      34.94416 
1 1 1 10  12 16 o 105.479  20.481  124.528    36.362  106.905    46.847  151.234    57.669  88.047  27.479  101.438 30.264  -13.39149      40.87799 
1 1 1 10  12 17 o 139.255  16.444  200.687    39.212  93.341     49.338  384.762    64.607  79.617  28.273  186.110 20.206  -106.4932      34.75146 
1 1 1 10  12 18 o 134.681  17.749  193.636    40.722  107.017    52.852  320.189    63.883  83.022  29.286  164.267 22.895  -81.24446      37.17367 
1 1 1 10  12 19 o 63.928   19.656  47.406     24.071  25.323     27.454  120.805    50.054  50.583  20.327  90.117  28.446  -39.53354      34.96229 
1 1 1 10  12 20 o 71.657   19.943  60.307     25.868  53.004     29.888  82.109     51.643  65.053  22.066  71.824  28.196  -6.771309      35.80423 
1 1 1 10  12 21 o 42.433   17.823  12.795     22.351  15.852     25.376  2.2170     47.207  45.049  18.960  48.319  22.579  -3.269901      29.48394 
1 1 1 10  12 22 o 66.023   20.706  53.795     26.563  17.571     30.821  158.417    52.379  47.223  20.409  102.918 28.277  -55.69445      34.87288 
1 1 1 10  12 23 o 68.886   20.838  59.356     27.201  38.159     31.619  119.703    53.351  55.536  21.980  82.899  29.405  -27.36265      36.71159 
1 1 1 10  12 24 o 39.877   17.524  7.2090     23.538  15.273     27.888  -12.7581   43.885  44.804  19.389  43.198  20.648  1.606369       28.32448 
1 1 1 10  12 25 o 94.723   18.557  103.926    29.594  72.844     34.362  193.211    58.238  71.346  23.655  107.918 29.884  -36.57283      38.11301 
1 1 1 10  12 26 o 140.566  20.416  240.704    48.644  240.704    48.644  0.0000     0.0000  140.566 20.416  ?       ?       0.000000       20.41619 
1 1 1 10  12 27 o 98.717   21.682  126.197    36.350  126.197    36.350  0.0000     0.0000  98.717  21.682  ?       ?       0.000000       21.68182 
1 1 1 10  12 28 o 34.704   16.180  -5.8177    24.022  -2.9071    34.809  -8.4644    33.193  40.425  19.047  38.551  18.294  1.873806       26.40939 
1 1 1 10  12 29 o 59.538   21.569  51.564     28.869  35.006     39.183  71.227     42.698  50.758  22.444  62.447  25.259  -11.68902      33.78992 
1 1 1 10  12 30 o 75.212   20.558  76.482     27.770  44.461     42.953  99.477     36.400  52.565  23.358  79.630  24.109  -27.06509      33.56863 
1 1 1 10  12 31 o 79.862   17.947  78.701     24.417  71.203     34.913  85.879     34.160  64.492  23.665  73.063  23.547  -8.571159      33.38388 
1 1 1 10  12 32 o 65.329   18.819  56.899     22.635  66.304     30.324  45.066     34.015  64.314  22.215  52.271  21.973  12.04219       31.24615 
1 1 1 10  12 33 o 52.417   18.446  37.990     20.956  34.812     28.059  41.998     31.513  48.404  20.122  50.745  21.229  -2.341648      29.25035 
1 1 1 10  13 0  o 68.028   14.325  47.084     16.478  41.013     19.082  64.888     32.676  61.621  17.121  72.301  23.001  -10.68050      28.67354 
1 1 1 10  13 1  o 56.149   16.931  33.911     17.978  32.501     27.289  34.992     23.897  54.666  20.747  56.072  19.701  -1.405613      28.61036 
1 1 1 10  13 2  o 103.006  16.488  111.013    28.654  125.777    33.952  74.471     53.416  107.168 18.831  70.320  28.319  36.84798       34.00894 
1 1 1 10  13 3  o 46.328   17.846  20.356     20.384  15.191     24.622  31.606     36.340  45.082  18.804  55.043  22.892  -9.961372      29.62535 
1 1 1 10  13 4  o 57.823   18.884  37.741     21.930  47.360     26.444  16.553     39.245  63.132  20.743  50.404  22.366  12.72719       30.50380 
1 1 1 10  13 5  o 67.813   19.575  53.345     24.469  55.812     28.762  46.882     46.556  67.466  21.592  60.720  25.625  6.746761       33.50857 
1 1 1 10  13 6  o 125.854  12.725  155.749    27.580  131.365    37.957  183.021    40.142  105.643 21.312  129.369 18.280  -23.72634      28.07794 
1 1 1 10  13 7  f 94.934   14.803  92.720     23.737  88.584     32.354  97.543     34.933  85.315  21.675  88.624  22.526  -3.308266      31.26120 
1 1 1 10  13 8  o 41.633   17.113  13.298     19.982  18.789     23.596  -0.6255    37.572  45.841  18.690  44.452  20.556  1.389061       27.78241 
1 1 1 10  13 9  o 101.363  14.767  106.146    25.368  88.537     33.821  128.797    38.357  83.377  22.645  102.633 22.061  -19.25521      31.61476 
1 1 1 10  13 10 o 72.369   17.319  58.389     21.592  84.491     28.849  25.143     32.559  84.708  19.852  50.423  21.362  34.28514       29.16215 
1 1 1 10  13 11 o 103.934  14.167  110.999    25.040  78.617     33.581  151.554    37.580  76.751  23.139  114.617 19.475  -37.86575      30.24333 
1 1 1 10  13 12 o 87.703   16.018  82.945     23.626  87.235     32.309  78.015     34.635  82.607  22.005  75.180  23.654  7.426994       32.30703 
1 1 1 10  13 13 o 25.340   12.300  -22.2470   17.066  -40.1434   23.174  -1.0392    25.227  26.919  13.318  37.751  17.229  -10.83231      21.77678 
1 1 1 10  13 14 f 58.401   19.885  42.638     24.272  22.444     36.837  58.133     32.268  49.117  21.738  64.421  22.866  -15.30322      31.54990 
1 1 1 10  13 15 o 126.630  16.152  174.964    34.899  156.449    54.492  187.838    45.441  94.413  29.664  121.240 22.287  -26.82713      37.10328 
1 1 1 10  13 16 o 58.439   18.433  41.591     21.020  27.204     26.539  65.812     34.435  48.783  19.848  66.432  23.617  -17.64872      30.84986 
1 1 1 10  13 17 o 48.557   17.766  27.488     19.655  1.7673     24.787  71.053     32.259  37.727  17.164  70.131  22.904  -32.40368      28.62153 
1 1 1 10  13 18 o 126.805  12.633  164.434    27.598  108.794    36.608  237.692    42.005  87.387  23.487  144.659 16.952  -57.27226      28.96541 
1 1 1 10  13 19 o 114.125  13.976  138.368    27.269  138.162    36.501  138.628    41.021  103.567 20.905  97.720  24.175  5.847031       31.95965 
1 1 1 10  13 20 o 38.218   16.493  10.377     20.070  -10.3065   22.370  95.749     45.448  32.085  15.164  70.233  26.746  -38.14758      30.74540 
1 1 1 10  13 21 o 38.374   16.684  10.579     20.844  -12.3680   23.399  98.776     45.873  32.005  15.237  70.055  26.825  -38.05041      30.84991 
1 1 1 10  13 22 o 71.775   21.033  73.076     28.060  39.337     33.030  160.580    53.193  51.119  21.579  87.499  29.439  -36.37996      36.50043 
1 1 1 10  13 23 o 20.356   10.270  -45.7647   17.183  -5.6519    23.733  -89.9565   24.910  33.561  15.787  21.469  10.976  12.09234       19.22770 
1 1 1 10  13 24 o 60.431   21.861  59.475     29.639  40.915     38.837  85.363     45.866  49.631  22.122  61.470  25.655  -11.83891      33.87577 
1 1 1 10  13 25 o 36.264   16.837  2.8971     25.587  8.3890     34.624  -3.7110    37.980  40.292  18.988  38.662  18.667  1.629894       26.62669 
1 1 1 10  14 0  o 57.521   20.705  44.905     26.544  44.905     26.544  0.0000     0.0000  57.521  20.705  ?       ?       0.000000       20.70482 
1 1 1 10  14 1  o 24.104   11.174  -6.0830    11.205  -6.0830    11.205  0.0000     0.0000  24.104  11.174  ?       ?       0.000000       11.17413 
1 1 1 10  14 2  o 49.391   16.204  28.303     16.140  22.317     17.941  53.698     36.954  44.677  16.854  58.089  23.498  -13.41166      28.91758 
1 1 1 10  14 3  o 51.031   18.797  32.894     22.056  50.864     27.888  2.8808     36.041  59.792  21.254  41.838  19.608  17.95431       28.91715 
1 1 1 10  14 4  o 60.249   17.074  43.662     18.782  69.218     27.778  22.136     25.494  71.096  20.954  45.109  18.995  25.98674       28.28213 
1 1 1 10  14 5  o 44.351   16.510  22.396     17.101  15.834     25.705  27.607     22.905  42.340  18.466  47.463  18.732  -5.122959      26.30349 
1 1 1 10  14 6  o 50.629   17.140  31.414     18.033  19.229     26.940  41.304     24.272  43.756  18.996  54.931  19.796  -11.17452      27.43578 
1 1 1 10  14 7  o 44.671   16.984  23.350     18.307  6.8459     27.317  36.807     24.666  39.333  17.943  51.880  19.716  -12.54702      26.65862 
1 1 1 10  14 8  o 56.417   17.824  40.661     19.649  29.582     28.686  50.453     26.969  47.597  20.102  58.507  20.890  -10.90997      28.99104 
1 1 1 10  14 9  o 78.474   15.986  71.611     21.161  43.340     30.357  98.332     29.514  53.034  21.352  86.172  20.001  -33.13792      29.25634 
1 1 1 10  14 10 o 94.148   17.211  106.857    27.250  97.525     48.263  111.224    33.016  65.366  26.700  88.755  21.526  -23.38912      34.29646 
1 1 1 11  0  0  o 144.781  14.651  189.015    36.169  189.015    36.169  189.015    36.169  144.781 14.651  144.781 14.651  0.000000       0.000000 
1 1 1 11  0  1  o 28.433   16.142  9.2015     12.429  9.2015     12.429  9.2015     12.429  28.433  16.142  28.433  16.142  0.000000       0.000000 
1 1 1 11  0  2  o 269.029  16.304  640.812    75.945  640.812    75.945  640.812    75.945  269.029 16.304  269.029 16.304  0.000000       0.000000 
1 1 1 11  0  3  f 32.872   17.165  13.742     12.900  13.742     12.900  13.742     12.900  32.872  17.165  32.872  17.165  0.000000       0.000000 
1 1 1 11  0  4  o 151.012  14.434  204.983    37.262  204.983    37.262  204.983    37.262  151.012 14.434  151.012 14.434  0.000000       0.000000 
1 1 1 11  0  5  o 34.549   18.502  14.935     15.298  14.935     15.298  14.935     15.298  34.549  18.502  34.549  18.502  0.000000       0.000000 
1 1 1 11  0  6  o 33.101   18.193  13.310     15.175  13.310     15.175  13.310     15.175  33.101  18.193  33.101  18.193  0.000000       0.000000 
1 1 1 11  0  7  o 335.850  25.730  1009.90    148.849 1009.90    148.849 1009.90    148.849 335.850 25.730  335.850 25.730  0.000000       0.000000 
1 1 1 11  0  8  o 158.446  21.964  232.671    57.432  232.671    57.432  232.671    57.432  158.446 21.964  158.446 21.964  0.000000       0.000000 
1 1 1 11  0  9  o 343.498  26.158  1056.65    154.795 1056.65    154.795 1056.65    154.795 343.498 26.158  343.498 26.158  0.000000       0.000000 
1 1 1 11  0  10 o 167.077  22.789  258.428    62.980  258.428    62.980  258.428    62.980  167.077 22.789  167.077 22.789  0.000000       0.000000 
1 1 1 11  0  11 o 239.006  22.955  515.657    93.767  515.657    93.767  515.657    93.767  239.006 22.955  239.006 22.955  0.000000       0.000000 
1 1 1 11  0  12 o 43.306   24.434  21.855     28.242  21.855     28.242  21.855     28.242  43.306  24.434  43.306  24.434  0.000000       0.000000 
1 1 1 11  0  13 o 228.140  23.038  471.236    89.627  471.236    89.627  471.236    89.627  228.140 23.038  228.140 23.038  0.000000       0.000000 
1 1 1 11  0  14 o 292.273  25.045  768.251    125.655 768.251    125.655 768.251    125.655 292.273 25.045  292.273 25.045  0.000000       0.000000 
1 1 1 11  0  15 o 71.771   32.604  66.053     44.195  66.053     44.195  66.053     44.195  71.771  32.604  71.771  32.604  0.000000       0.000000 
1 1 1 11  0  16 o 336.824  26.246  1017.82    152.201 1017.82    152.201 1017.82    152.201 336.824 26.246  336.824 26.246  0.000000       0.000000 
1 1 1 11  0  17 o 377.031  19.140  1257.14    125.261 1257.14    125.261 1257.14    125.261 377.031 19.140  377.031 19.140  0.000000       0.000000 
1 1 1 11  0  18 o 343.535  18.403  1044.29    109.662 1044.29    109.662 1044.29    109.662 343.535 18.403  343.535 18.403  0.000000       0.000000 
1 1 1 11  0  19 o 75.217   25.276  64.025     29.649  64.025     29.649  64.025     29.649  75.217  25.276  75.217  25.276  0.000000       0.000000 
1 1 1 11  0  20 o 360.711  18.705  1151.22    117.084 1151.22    117.084 1151.22    117.084 360.711 18.705  360.711 18.705  0.000000       0.000000 
1 1 1 11  0  21 f 401.221  19.883  1424.61    138.516 1424.61    138.516 1424.61    138.516 401.221 19.883  401.221 19.883  0.000000       0.000000 
1 1 1 11  0  22 f 210.397  16.719  395.489    60.527  395.489    60.527  395.489    60.527  210.397 16.719  210.397 16.719  0.000000       0.000000 
1 1 1 11  0  23 o 182.360  16.818  299.036    52.505  299.036    52.505  299.036    52.505  182.360 16.818  182.360 16.818  0.000000       0.000000 
1 1 1 11  0  24 o 328.037  18.326  953.809    104.216 953.809    104.216 953.809    104.216 328.037 18.326  328.037 18.326  0.000000       0.000000 
1 1 1 11  0  25 o 111.896  23.679  123.785    40.697  123.785    40.697  123.785    40.697  111.896 23.679  111.896 23.679  0.000000       0.000000 
1 1 1 11  0  26 o 202.249  17.122  366.710    59.467  366.710    59.467  366.710    59.467  202.249 17.122  202.249 17.122  0.000000       0.000000 
1 1 1 11  0  27 o 44.788   28.812  1.7503     51.693  1.7503     51.693  1.7503     51.693  44.788  28.812  44.788  28.812  0.000000       0.000000 
1 1 1 11  0  28 f ?        ?       -218.1439  37.230  -218.1439  37.230  -218.1439  37.230  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 11  0  29 o 610.527  38.673  3401.55    408.472 3401.55    408.472 3401.55    408.472 610.527 38.673  610.527 38.673  0.000000       0.000000 
1 1 1 11  0  30 o 419.034  30.384  1590.18    219.620 1590.18    219.620 1590.18    219.620 419.034 30.384  419.034 30.384  0.000000       0.000000 
1 1 1 11  0  31 o ?        ?       -290.4089  16.366  -290.4089  16.366  -290.4089  16.366  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 11  0  32 o 131.629  21.785  164.809    45.946  164.809    45.946  164.809    45.946  131.629 21.785  131.629 21.785  0.000000       0.000000 
1 1 1 11  0  33 o 280.231  17.635  699.849    85.506  699.849    85.506  699.849    85.506  280.231 17.635  280.231 17.635  0.000000       0.000000 
1 1 1 11  0  34 o 211.306  17.170  401.009    62.387  401.009    62.387  401.009    62.387  211.306 17.170  211.306 17.170  0.000000       0.000000 
1 1 1 11  0  35 o 69.021   28.363  59.344     33.794  59.344     33.794  59.344     33.794  69.021  28.363  69.021  28.363  0.000000       0.000000 
1 1 1 11  0  36 o 290.509  17.547  753.216    88.261  753.216    88.261  753.216    88.261  290.509 17.547  290.509 17.547  0.000000       0.000000 
1 1 1 11  0  37 o 126.064  19.765  150.516    40.313  150.516    40.313  150.516    40.313  126.064 19.765  126.064 19.765  0.000000       0.000000 
1 1 1 11  0  38 o 127.987  20.117  155.469    41.638  155.469    41.638  155.469    41.638  127.987 20.117  127.987 20.117  0.000000       0.000000 
1 1 1 11  0  39 o 58.773   31.931  45.428     46.179  45.428     46.179  45.428     46.179  58.773  31.931  58.773  31.931  0.000000       0.000000 
1 1 1 11  0  40 o 43.315   26.359  16.603     37.365  16.603     37.365  16.603     37.365  43.315  26.359  43.315  26.359  0.000000       0.000000 
1 1 1 11  0  41 o 31.493   21.500  -20.5912   36.855  -20.5912   36.855  -20.5912   36.855  31.493  21.500  31.493  21.500  0.000000       0.000000 
1 1 1 11  0  42 o 50.362   28.730  31.396     39.625  31.396     39.625  31.396     39.625  50.362  28.730  50.362  28.730  0.000000       0.000000 
1 1 1 11  0  43 o 35.941   22.545  7.5133     29.399  7.5133     29.399  7.5133     29.399  35.941  22.545  35.941  22.545  0.000000       0.000000 
1 1 1 11  0  44 o 44.251   25.431  23.721     31.380  23.721     31.380  23.721     31.380  44.251  25.431  44.251  25.431  0.000000       0.000000 
1 1 1 11  0  45 o 109.124  24.371  122.555    40.560  122.555    40.560  122.555    40.560  109.124 24.371  109.124 24.371  0.000000       0.000000 
1 1 1 11  0  46 o 56.753   28.740  44.885     35.462  44.885     35.462  44.885     35.462  56.753  28.740  56.753  28.740  0.000000       0.000000 
1 1 1 11  0  47 o 25.998   18.129  -25.9094   29.812  -25.9094   29.812  -25.9094   29.812  25.998  18.129  25.998  18.129  0.000000       0.000000 
1 1 1 11  0  48 o 76.978   29.235  74.909     36.924  74.909     36.924  74.909     36.924  76.978  29.235  76.978  29.235  0.000000       0.000000 
1 1 1 11  0  49 o 35.270   22.609  4.8551     31.492  4.8551     31.492  4.8551     31.492  35.270  22.609  35.270  22.609  0.000000       0.000000 
1 1 1 11  0  50 o 170.562  18.833  275.925    54.341  275.925    54.341  275.925    54.341  170.562 18.833  170.562 18.833  0.000000       0.000000 
1 1 1 11  0  51 o 75.492   35.181  85.403     51.592  85.403     51.592  85.403     51.592  75.492  35.181  75.492  35.181  0.000000       0.000000 
1 1 1 11  0  52 o 31.031   21.364  -20.9215   38.172  -20.9215   38.172  -20.9215   38.172  31.031  21.364  31.031  21.364  0.000000       0.000000 
1 1 1 11  0  53 o 41.131   26.377  11.785     42.917  11.785     42.917  11.785     42.917  41.131  26.377  41.131  26.377  0.000000       0.000000 
1 1 1 11  0  54 o 140.727  32.171  227.556    68.867  227.556    68.867  227.556    68.867  140.727 32.171  140.727 32.171  0.000000       0.000000 
1 1 1 11  0  55 o 47.438   26.974  33.666     34.779  33.666     34.779  33.666     34.779  47.438  26.974  47.438  26.974  0.000000       0.000000 
1 1 1 11  0  56 f 105.374  26.970  127.789    42.897  127.789    42.897  127.789    42.897  105.374 26.970  105.374 26.970  0.000000       0.000000 
1 1 1 11  0  57 o 77.162   31.250  86.113     41.196  86.113     41.196  86.113     41.196  77.162  31.250  77.162  31.250  0.000000       0.000000 
1 1 1 11  0  58 o 36.038   23.524  7.1723     36.227  7.1723     36.227  7.1723     36.227  36.038  23.524  36.038  23.524  0.000000       0.000000 
1 1 1 11  0  59 o 64.584   31.501  70.520     41.872  70.520     41.872  70.520     41.872  64.584  31.501  64.584  31.501  0.000000       0.000000 
1 1 1 11  0  60 o 106.610  28.639  140.880    46.071  140.880    46.071  140.880    46.071  106.610 28.639  106.610 28.639  0.000000       0.000000 
1 1 1 11  0  61 o 23.823   16.994  -35.1883   31.476  -35.1883   31.476  -35.1883   31.476  23.823  16.994  23.823  16.994  0.000000       0.000000 
1 1 1 11  1  0  o 221.085  11.744  429.672    45.173  475.151    78.285  406.972    55.310  231.178 19.578  214.701 14.845  16.47713       24.56973 
1 1 1 11  1  1  o 187.751  11.894  310.288    38.791  257.838    66.852  336.912    47.630  168.972 23.277  195.367 14.056  -26.39528      27.19174 
1 1 1 11  1  2  f 248.520  15.558  545.288    67.172  615.284    95.170  475.803    94.822  262.921 20.903  230.264 23.934  32.65770       31.77702 
1 1 1 11  1  3  o 176.348  11.808  273.889    36.149  287.206    44.614  248.435    61.680  180.248 14.293  166.110 21.792  14.13828       26.06068 
1 1 1 11  1  4  o 295.459  13.560  766.569    69.954  784.003    85.810  732.028    120.786 297.927 16.561  285.889 24.431  12.03870       29.51526 
1 1 1 11  1  5  o 340.406  12.537  1016.78    74.514  994.592    105.465 1038.89    105.294 335.287 18.082  342.798 17.651  -7.511230      25.26888 
1 1 1 11  1  6  o 175.697  11.595  271.857    35.372  270.035    62.284  272.725    42.975  173.410 20.998  175.612 14.135  -2.201996      25.31236 
1 1 1 11  1  7  o 432.268  16.443  1646.08    124.106 1670.44    215.162 1633.94    151.926 430.608 28.783  429.677 20.250  0.9309082      35.19242 
1 1 1 11  1  8  o 189.874  11.615  317.368    38.321  333.923    66.970  309.308    46.727  193.234 20.145  187.018 14.421  6.215729       24.77456 
1 1 1 11  1  9  o 312.573  13.537  858.423    73.882  900.511    128.665 837.718    90.243  317.341 23.385  307.796 16.856  9.544189       28.82667 
1 1 1 11  1  10 o 155.902  11.949  214.507    32.280  250.986    59.441  199.249    38.443  167.036 20.833  149.758 14.899  17.27870       25.61266 
1 1 1 11  1  11 o 449.353  17.022  1781.45    133.553 1916.32    232.054 1714.66    163.312 460.666 28.998  439.556 21.278  21.11053       35.96714 
1 1 1 11  1  12 o 547.167  19.729  2651.82    188.492 2478.67    326.520 2738.36    230.840 519.160 36.248  554.191 23.856  -35.03070      43.39334 
1 1 1 11  1  13 o 349.766  18.464  1084.88    112.362 0.0000     0.0000  1084.88    112.362 ?       ?       349.766 18.464  0.000000       18.46373 
1 1 1 11  1  14 o 246.714  15.965  538.901    68.406  519.960    96.638  557.923    96.843  240.430 23.312  249.375 22.483  -8.944473      32.38742 
1 1 1 11  1  15 o 180.777  15.212  289.962    47.570  297.523    67.681  282.579    66.876  181.648 21.773  176.868 22.140  4.779984       31.05209 
1 1 1 11  1  16 o 202.775  12.569  362.698    44.282  359.020    54.404  369.920    76.226  201.181 15.610  202.723 21.882  -1.541489      26.87892 
1 1 1 11  1  17 o 201.904  12.529  359.649    43.952  347.473    53.574  384.713    76.866  197.865 15.634  206.796 21.607  -8.931854      26.66974 
1 1 1 11  1  18 o 193.333  12.508  329.931    41.999  315.073    51.130  360.752    73.639  188.313 15.693  200.182 21.399  -11.86951      26.53694 
1 1 1 11  1  19 o 401.363  16.090  1423.14    112.757 1459.29    137.996 1350.52    195.591 405.313 19.499  384.783 29.333  20.53009       35.22269 
1 1 1 11  1  20 o 365.923  13.112  1178.57    83.775  1109.33    117.828 1249.36    119.135 352.882 19.195  375.348 18.178  -22.46579      26.43655 
1 1 1 11  1  21 o 510.525  16.255  2305.22    144.901 2278.48    204.796 2332.02    205.045 504.153 23.265  510.184 23.018  -6.030273      32.72695 
1 1 1 11  1  22 o 92.307   14.938  77.094     23.253  98.445     32.664  55.155     33.110  103.745 18.721  77.728  22.868  26.01707       29.55333 
1 1 1 11  1  23 o 167.366  11.587  247.467    33.652  226.033    46.542  270.949    48.714  158.798 17.053  174.223 16.199  -15.42474      23.52021 
1 1 1 11  1  24 o 297.615  12.194  779.762    63.367  727.419    89.195  833.102    90.040  285.530 17.982  306.009 16.917  -20.47906      24.68928 
1 1 1 11  1  25 o 108.391  16.987  106.687    31.093  118.015    38.181  84.384     53.573  113.366 20.021  95.519  29.315  17.84686       35.49974 
1 1 1 11  1  26 o 230.162  16.883  473.055    67.377  404.901    94.584  543.266    96.002  209.418 26.457  244.605 22.738  -35.18735      34.88531 
1 1 1 11  1  27 o 328.421  18.965  966.811    108.292 928.738    155.190 1002.94    151.184 316.859 28.350  330.557 26.414  -13.69757      38.74818 
1 1 1 11  1  28 o ?        ?       -124.8710  31.240  -204.5356  48.178  -67.0701   41.038  ?       ?       39.416  19.119  0.000000       19.11948 
1 1 1 11  1  29 o 427.494  21.372  1649.06    159.527 1661.81    226.248 1636.45    224.969 420.761 31.014  417.460 31.086  3.301514       43.91159 
1 1 1 11  1  30 o 430.119  17.027  1651.84    127.876 2071.17    223.027 1446.47    156.079 472.986 27.118  398.639 22.516  74.34671       35.24707 
1 1 1 11  1  31 o 61.104   21.213  30.915     27.667  42.598     39.300  19.435     38.958  71.616  25.255  60.929  24.307  10.68703       35.05222 
1 1 1 11  1  32 f 39.593   17.487  -6.3509    23.719  -16.9213   35.074  2.5572     32.198  45.545  20.601  49.884  21.194  -4.338959      29.55628 
1 1 1 11  1  33 f 211.783  12.100  398.395    44.560  502.662    65.832  310.232    60.535  236.502 16.037  184.387 19.078  52.11481       24.92288 
1 1 1 11  1  34 o 80.583   18.996  61.078     26.291  70.485     42.078  55.053     33.673  86.070  25.891  76.700  23.181  9.370323       34.75174 
1 1 1 11  1  35 o 120.841  13.849  131.882    28.694  124.919    42.792  137.571    38.679  114.738 22.162  121.831 18.786  -7.092468      29.05287 
1 1 1 11  1  36 o 172.125  12.070  264.645    36.047  273.809    52.411  256.418    49.658  172.945 17.601  167.476 17.227  5.469467       24.62881 
1 1 1 11  1  37 f 232.229  11.886  481.311    48.036  524.142    69.649  442.455    66.339  239.854 16.735  219.902 17.420  19.95201       24.15635 
1 1 1 11  1  38 o 74.048   20.131  52.583     26.712  65.974     55.195  48.488     30.525  83.981  29.896  71.508  22.159  12.47295       37.21241 
1 1 1 11  1  39 o 125.517  32.134  167.351    70.727  167.351    70.727  0.0000     0.0000  125.517 32.134  ?       ?       0.000000       32.13422 
1 1 1 11  1  40 o 67.415   27.516  27.985     51.209  27.985     51.209  0.0000     0.0000  67.415  27.516  ?       ?       0.000000       27.51574 
1 1 1 11  1  41 o 105.827  23.056  111.916    41.398  183.821    65.282  63.556     53.539  132.021 29.103  80.809  29.358  51.21194       41.33891 
1 1 1 11  1  42 o 76.943   20.073  58.547     27.252  85.103     35.428  20.066     42.647  91.916  22.302  60.225  24.903  31.69152       33.42933 
1 1 1 11  1  43 o 43.205   17.074  11.393     19.054  17.560     26.590  4.8830     27.319  51.132  20.181  45.737  19.480  5.394299       28.04895 
1 1 1 11  1  44 o 137.829  12.739  174.754    30.312  204.539    44.032  147.924    41.791  145.972 17.633  122.116 20.313  23.85615       26.89875 
1 1 1 11  1  45 o 49.277   18.433  19.821     21.368  48.662     32.561  -1.9962    28.319  69.021  23.033  43.289  19.114  25.73240       29.93120 
1 1 1 11  1  46 o 118.567  14.174  132.761    28.761  160.269    42.872  110.248    38.784  125.909 20.182  102.442 22.314  23.46711       30.08767 
1 1 1 11  1  47 o 93.368   16.519  85.845     25.945  100.524    38.949  74.136     34.786  96.012  23.438  82.330  23.202  13.68182       32.98018 
1 1 1 11  1  48 o 39.813   16.989  4.5302     20.854  11.423     31.750  -0.6997    27.656  49.235  20.985  42.411  18.799  6.824360       28.17432 
1 1 1 11  1  49 o 53.409   19.038  27.941     22.391  45.982     34.228  14.446     29.604  64.882  23.489  48.938  20.531  15.94457       31.19711 
1 1 1 11  1  50 o 53.372   19.024  28.594     22.357  43.924     34.471  17.463     29.373  63.015  23.443  49.603  20.601  13.41208       31.20922 
1 1 1 11  1  51 o 157.207  18.894  261.364    50.823  248.885    70.883  274.566    72.910  135.305 30.706  143.723 30.022  -8.418762      42.94390 
1 1 1 11  1  52 o 97.781   23.283  114.585    39.182  114.455    54.501  114.723    56.368  87.273  29.796  86.412  30.263  0.8612518      42.46973 
1 1 1 11  1  53 o 37.153   17.336  -11.7889   27.666  3.4565     38.352  -28.3305   39.949  46.631  21.267  40.379  19.406  6.251659       28.79082 
1 1 1 11  1  54 o 34.547   15.639  -2.9142    20.261  13.871     30.508  -16.1592   27.101  46.233  20.142  35.286  16.681  10.94695       26.15261 
1 1 1 11  1  55 o 78.143   18.763  70.504     25.278  74.605     37.462  67.076     34.251  72.243  24.703  69.881  23.622  2.362396       34.17971 
1 1 1 11  1  56 o 69.015   20.295  59.600     26.085  89.561     38.681  34.612     35.325  77.841  25.053  53.321  22.402  24.52030       33.60799 
1 1 1 11  1  57 o 50.497   18.906  30.468     22.489  36.760     29.581  21.853     34.617  53.321  21.210  47.823  21.123  5.498123       29.93407 
1 1 1 11  1  58 o 44.249   18.103  20.584     22.231  18.955     28.703  23.027     35.146  44.821  19.532  47.327  21.074  -2.505753      28.73319 
1 1 1 11  1  59 o 56.390   20.057  44.050     24.839  40.619     33.226  48.398     37.399  52.358  21.842  54.633  23.006  -2.274666      31.72354 
1 1 1 11  1  60 o 58.463   22.344  56.555     31.792  28.975     49.887  75.416     41.254  47.535  22.519  61.631  24.864  -14.09574      33.54563 
1 1 1 11  2  0  o 250.094  15.292  551.991    66.458  0.0000     0.0000  551.991    66.458  ?       ?       250.094 15.292  0.000000       15.29241 
1 1 1 11  2  1  o 352.348  17.156  1093.81    105.547 0.0000     0.0000  1093.81    105.547 ?       ?       352.348 17.156  0.000000       17.15579 
1 1 1 11  2  2  o 415.835  18.997  1526.89    137.936 0.0000     0.0000  1526.89    137.936 ?       ?       415.835 18.997  0.000000       18.99740 
1 1 1 11  2  3  o 309.052  16.395  843.377    88.155  0.0000     0.0000  843.377    88.155  ?       ?       309.052 16.395  0.000000       16.39489 
1 1 1 11  2  4  o 277.047  15.870  677.781    76.449  0.0000     0.0000  677.781    76.449  ?       ?       277.047 15.870  0.000000       15.86964 
1 1 1 11  2  5  o 521.992  17.505  2403.12    159.550 2882.26    276.966 2165.14    195.191 567.233 27.964  493.797 22.639  73.43692       35.97915 
1 1 1 11  2  6  o 397.257  14.551  1387.68    100.933 1656.20    175.855 1255.76    123.256 430.940 23.459  377.023 18.723  53.91730       30.01480 
1 1 1 11  2  7  o 112.044  11.384  111.212    21.961  121.181    41.560  107.349    25.868  115.123 21.465  109.677 13.814  5.445831       25.52589 
1 1 1 11  2  8  o 340.505  14.201  1019.45    84.430  1124.28    147.674 968.547    102.908 354.499 23.999  330.743 17.886  23.75650       29.93091 
1 1 1 11  2  9  o 389.001  15.237  1332.19    103.497 1462.98    179.773 1267.34    126.577 403.836 25.628  378.013 19.241  25.82291       32.04682 
1 1 1 11  2  10 o 76.112   12.073  52.082     15.509  79.311     30.677  42.732     17.976  92.968  19.519  68.326  15.432  24.64142       24.88267 
1 1 1 11  2  11 o 262.366  10.779  603.609    49.381  675.516    70.631  534.855    69.065  276.659 14.674  245.782 16.184  30.87685       21.84573 
1 1 1 11  2  12 o 426.117  13.488  1596.43    100.359 1634.20    142.089 1558.83    141.769 429.666 18.939  419.514 19.354  10.15173       27.07914 
1 1 1 11  2  13 o 158.247  10.925  220.699    30.001  207.678    41.502  234.950    43.419  152.685 15.796  162.557 15.484  -9.872681      22.11926 
1 1 1 11  2  14 o 332.826  14.209  975.101    82.577  889.608    100.785 1149.71    144.033 316.538 18.313  358.279 23.148  -41.74167      29.51590 
1 1 1 11  2  15 o 466.145  17.446  1921.40    141.997 1828.26    173.735 2108.82    246.442 453.028 21.963  481.948 29.426  -28.92026      36.71928 
1 1 1 11  2  16 f 292.889  13.713  755.050    70.130  748.664    85.538  768.143    122.487 290.556 16.934  291.986 24.244  -1.430481      29.57274 
1 1 1 11  2  17 o 292.454  13.654  752.950    69.724  705.708    85.019  849.992    121.851 281.900 17.357  307.655 22.846  -25.75430      28.69166 
1 1 1 11  2  18 o 353.683  18.577  1112.50    114.320 1111.13    161.758 1113.86    161.587 350.105 26.661  350.569 26.596  -0.4642944     37.65870 
1 1 1 11  2  19 o 345.250  14.750  1051.53    88.917  914.649    153.422 1120.76    109.110 316.645 28.039  355.664 17.570  -39.01880      33.08913 
1 1 1 11  2  20 o 125.353  13.706  140.069    29.510  140.815    50.228  139.676    36.468  123.225 24.208  124.436 17.248  -1.211235      29.72423 
1 1 1 11  2  21 o 315.318  14.277  877.214    78.603  819.929    136.172 905.839    96.258  300.111 26.250  319.181 17.337  -19.07056      31.45852 
1 1 1 11  2  22 o 154.063  13.470  210.803    35.872  214.280    43.392  203.296    63.753  154.736 16.306  148.100 25.579  6.636124       30.33416 
1 1 1 11  2  23 o 189.765  16.362  321.399    53.683  321.399    53.683  0.0000     0.0000  189.765 16.362  ?       ?       0.000000       16.36168 
1 1 1 11  2  24 o 242.884  17.073  526.373    71.947  526.373    71.947  0.0000     0.0000  242.884 17.073  ?       ?       0.000000       17.07333 
1 1 1 11  2  25 o 37.774   17.226  -15.6776   25.154  -6.4886    33.226  -28.0136   38.498  47.689  20.891  45.463  20.947  2.226685       29.58433 
1 1 1 11  2  26 o 63.086   21.949  32.535     29.627  31.278     38.111  34.455     47.099  66.070  24.636  71.377  27.216  -5.306801      36.71049 
1 1 1 11  2  27 o 116.785  20.148  125.601    39.601  60.259     50.221  233.017    64.391  83.425  28.602  158.674 23.990  -75.24881      37.33075 
1 1 1 11  2  28 o 580.087  20.971  3032.77    212.407 2662.86    366.061 3220.53    260.801 520.621 40.589  593.704 25.158  -73.08282      47.75389 
1 1 1 11  2  29 o 437.896  16.950  1711.71    129.602 1347.90    221.645 1900.72    159.759 374.980 34.230  459.525 19.911  -84.54468      39.59946 
1 1 1 11  2  30 o ?        ?       -197.5620  29.448  0.0000     0.0000  -197.5620  29.448  ?       ?       ?       ?       0.000000       ?        
1 1 1 11  2  31 o 213.236  14.520  406.241    53.738  388.740    88.323  416.527    67.714  203.925 25.352  214.535 18.250  -10.60980      31.23767 
1 1 1 11  2  32 o 224.639  12.585  448.641    49.164  432.953    70.001  463.912    69.066  218.385 18.533  226.524 17.600  -8.138733      25.55804 
1 1 1 11  2  33 o 157.733  13.146  222.577    35.877  246.085    51.497  200.406    50.010  164.141 18.279  147.304 19.958  16.83681       27.06331 
1 1 1 11  2  34 o 45.122   18.631  6.5176     23.822  -7.6173    35.262  18.385     32.310  48.252  21.316  56.353  22.245  -8.100563      30.80913 
1 1 1 11  2  35 o 71.379   21.895  47.619     29.889  51.842     39.034  41.635     46.470  75.333  25.219  72.574  27.176  2.759567       37.07458 
1 1 1 11  2  36 o 137.297  16.255  172.643    38.213  184.886    49.102  153.841    60.850  140.226 20.675  123.810 28.706  16.41576       35.37638 
1 1 1 11  2  37 o 135.079  15.239  166.748    35.314  132.555    67.112  179.840    41.528  112.568 32.397  139.415 17.441  -26.84712      36.79381 
1 1 1 11  2  38 o 129.392  20.432  159.322    44.630  102.222    66.746  205.493    60.020  99.110  32.973  144.806 24.619  -45.69579      41.15034 
1 1 1 11  2  39 o 87.193   24.270  76.054     38.307  93.818     61.145  64.577     49.147  94.840  31.560  81.495  28.274  13.34545       42.37269 
1 1 1 11  2  40 o 68.578   23.518  44.089     33.956  71.701     52.312  23.985     44.638  84.306  29.175  63.046  25.706  21.26023       38.88437 
1 1 1 11  2  41 o 98.064   22.085  96.167     36.906  118.057    58.600  81.778     47.512  103.854 30.385  88.254  27.694  15.59972       41.11208 
1 1 1 11  2  42 o 122.859  15.843  141.890    33.195  151.921    41.967  125.124    54.255  124.746 19.939  107.257 28.489  17.48940       34.77319 
1 1 1 11  2  43 o 104.852  14.782  103.367    26.312  80.829     38.600  122.930    35.961  87.656  24.349  112.050 19.063  -24.39400      30.92399 
1 1 1 11  2  44 o 50.536   18.636  21.486     21.690  24.058     31.100  19.050     30.266  55.830  21.892  53.129  21.345  2.700703       30.57568 
1 1 1 11  2  45 o 71.010   18.436  50.824     23.061  43.124     34.200  57.243     31.228  65.723  23.518  73.805  22.328  -8.081764      32.42874 
1 1 1 11  2  46 o 127.331  13.535  152.561    29.631  165.378    43.289  141.261    40.645  127.451 20.120  117.240 20.607  10.21053       28.80014 
1 1 1 11  2  47 o 47.182   18.310  17.483     21.581  13.082     31.273  21.485     29.820  49.802  21.009  52.780  21.193  -2.977211      29.84139 
1 1 1 11  2  48 o 43.244   17.526  11.991     20.598  12.816     30.912  11.331     27.626  49.049  20.800  46.820  19.748  2.228668       28.68097 
1 1 1 11  2  49 o 76.193   18.943  61.778     25.094  46.900     36.218  75.515     34.801  64.814  24.046  80.735  23.357  -15.92117      33.52263 
1 1 1 11  2  50 o 108.978  18.758  125.452    34.406  90.958     42.993  186.882    57.375  84.403  26.321  121.735 27.626  -37.33185      38.15741 
1 1 1 11  2  51 o 60.725   22.498  42.196     31.681  60.838     43.580  21.302     46.137  68.514  26.167  55.033  24.343  13.48179       35.73902 
1 1 1 11  2  52 o 71.556   23.479  64.663     33.884  95.324     46.642  30.394     49.309  81.524  27.566  57.110  25.219  24.41372       37.36109 
1 1 1 11  2  53 o 106.922  23.268  140.971    42.205  143.998    56.548  137.163    63.414  95.046  30.260  87.273  31.914  7.773338       43.97929 
1 1 1 11  2  54 o 44.028   18.674  14.370     24.925  10.658     32.293  19.840     39.200  45.384  20.205  50.220  22.315  -4.836227      30.10341 
1 1 1 11  2  55 f 51.140   20.018  29.912     25.968  32.494     33.406  25.970     41.280  52.773  21.949  51.477  22.885  1.296280       31.70926 
1 1 1 11  2  56 o 53.905   19.086  35.400     22.467  52.595     30.737  15.675     32.921  61.584  22.264  45.806  20.396  15.77872       30.19445 
1 1 1 11  2  57 o 43.566   17.558  19.415     20.549  -19.4535   27.965  65.035     30.296  33.718  16.213  67.716  22.200  -33.99776      27.49007 
1 1 1 11  2  58 o 59.199   18.538  44.648     21.301  52.308     28.164  34.409     32.561  60.182  21.363  50.490  21.375  9.691151       30.22037 
1 1 1 11  2  59 f 59.449   19.128  47.591     22.550  47.193     30.929  48.042     32.948  54.975  21.744  54.723  22.170  0.2524338      31.05362 
1 1 1 11  2  60 o 33.339   15.025  3.1005     18.461  19.550     23.862  -21.4278   29.138  42.077  18.070  32.519  15.850  9.558037       24.03605 
1 1 1 11  3  0  o 140.879  12.031  175.340    29.310  168.443    51.299  178.682    35.714  136.104 22.363  141.831 14.631  -5.727066      26.72411 
1 1 1 11  3  1  o 415.270  16.222  1518.64    117.625 1570.52    204.306 1492.92    143.859 417.821 28.169  410.804 20.056  7.016998       34.57922 
1 1 1 11  3  2  o 181.524  14.948  291.751    46.958  0.0000     0.0000  291.751    46.958  ?       ?       181.524 14.948  0.000000       14.94840 
1 1 1 11  3  3  o 242.151  15.651  518.299    65.820  0.0000     0.0000  518.299    65.820  ?       ?       242.151 15.651  0.000000       15.65090 
1 1 1 11  3  4  o 110.733  22.348  112.661    41.720  0.0000     0.0000  112.661    41.720  ?       ?       110.733 22.348  0.000000       22.34839 
1 1 1 11  3  5  o 72.910   15.295  48.526     18.850  0.0000     0.0000  48.526     18.850  ?       ?       72.910  15.295  0.000000       15.29529 
1 1 1 11  3  6  o 161.338  9.8045  228.872    27.489  225.269    39.230  232.347    38.530  159.429 14.242  162.014 13.750  -2.584351      19.79682 
1 1 1 11  3  7  o 139.986  10.147  172.623    24.633  166.048    34.941  179.118    34.732  136.564 14.895  142.018 14.196  -5.453278      20.57655 
1 1 1 11  3  8  o 401.352  13.468  1415.94    94.380  1424.78    133.520 1407.12    133.427 401.239 19.058  398.714 19.165  2.524689       27.02832 
1 1 1 11  3  9  o 361.737  12.167  1148.92    76.846  1156.26    108.762 1141.60    108.592 361.864 17.213  359.542 17.298  2.321350       24.40308 
1 1 1 11  3  10 o 133.626  9.6995  157.284    22.477  179.361    32.300  136.556    31.297  142.254 13.153  123.675 14.786  18.57849       19.78973 
1 1 1 11  3  11 o 558.478  16.879  2754.41    164.599 2765.86    232.820 2742.96    232.736 556.424 23.964  554.066 24.057  2.357910       33.95561 
1 1 1 11  3  12 o 180.166  9.4567  285.215    29.645  330.263    43.464  246.027    40.538  193.400 12.946  166.608 14.066  26.79218       19.11686 
1 1 1 11  3  13 o 302.950  11.958  806.154    63.253  824.566    89.652  787.904    89.256  305.018 16.899  298.052 17.224  6.965393       24.13005 
1 1 1 11  3  14 o 268.274  11.475  631.969    53.753  670.992    76.453  593.823    75.590  275.243 15.977  258.670 16.828  16.57220       23.20409 
1 1 1 11  3  15 o 120.121  16.763  129.937    34.200  129.937    34.200  0.0000     0.0000  120.121 16.763  ?       ?       0.000000       16.76257 
1 1 1 11  3  16 o 505.856  18.135  2268.41    160.177 2397.47    196.442 2012.37    276.686 518.351 21.704  466.452 34.210  51.89941       40.51456 
1 1 1 11  3  17 o 303.447  14.212  811.755    75.302  793.473    92.316  848.105    130.171 298.691 17.781  306.349 24.541  -7.657867      30.30593 
1 1 1 11  3  18 o 175.701  13.405  273.482    40.814  251.071    50.090  317.754    70.402  167.459 17.384  187.348 21.937  -19.88879      27.98989 
1 1 1 11  3  19 o 387.384  13.525  1322.62    91.486  1410.02    129.536 1235.65    129.226 398.295 18.626  371.861 19.976  26.43442       27.31225 
1 1 1 11  3  20 o 132.012  14.613  155.718    33.117  171.962    40.147  121.127    58.585  138.281 16.985  113.085 29.398  25.19637       33.95165 
1 1 1 11  3  21 o 184.389  13.332  301.322    42.633  291.917    52.605  319.321    72.776  180.661 16.871  187.287 22.719  -6.626266      28.29871 
1 1 1 11  3  22 o 79.870   19.332  59.141     26.671  52.594     32.435  72.812     46.867  75.937  22.706  89.101  27.432  -13.16399      35.60992 
1 1 1 11  3  23 o 289.143  14.587  741.314    73.406  696.093    89.854  832.057    127.285 278.831 18.562  302.359 24.315  -23.52875      30.59050 
1 1 1 11  3  24 o 318.075  18.272  905.221    101.056 889.089    142.252 921.657    143.586 311.157 26.433  316.987 26.177  -5.829620      37.20097 
1 1 1 11  3  25 o 286.268  17.702  733.407    88.049  683.240    122.151 787.662    127.031 272.449 25.993  293.196 25.054  -20.74655      36.10167 
1 1 1 11  3  26 o 437.939  16.796  1708.59    128.432 1747.64    221.005 1688.68    157.815 433.263 29.388  433.028 20.872  0.2346802      36.04563 
1 1 1 11  3  27 o 401.384  20.523  1455.39    143.355 1429.74    202.841 1481.00    202.630 390.524 29.976  398.041 29.362  -7.517059      41.96068 
1 1 1 11  3  28 o ?        ?       -228.3159  10.704  -254.2677  12.913  -171.3271  19.135  ?       ?       ?       ?       0.000000       ?        
1 1 1 11  3  29 o 205.974  17.302  382.508    61.648  382.714    85.613  382.286    88.845  202.802 24.686  202.151 25.756  0.6504974      35.67598 
1 1 1 11  3  30 o 202.325  17.121  369.590    59.916  395.599    82.524  340.597    87.131  206.576 23.285  189.593 27.090  16.98282       35.72229 
1 1 1 11  3  31 o 293.420  12.504  763.515    64.062  774.799    91.537  752.682    89.685  292.655 18.001  288.493 17.892  4.161774       25.38047 
1 1 1 11  3  32 o 45.708   18.482  9.0816     22.849  -10.5368   31.918  29.702     32.724  44.873  20.025  62.161  22.896  -17.28754      30.41731 
1 1 1 11  3  33 o 45.504   18.121  10.566     21.615  6.2634     29.814  15.333     31.381  49.372  20.651  54.349  21.770  -4.977463      30.00677 
1 1 1 11  3  34 o 123.643  14.210  138.617    30.120  167.078    43.079  111.397    42.130  134.117 18.921  107.485 23.133  26.63143       29.88598 
1 1 1 11  3  35 o 159.655  12.939  229.242    35.760  206.260    51.313  250.943    49.862  148.243 20.362  165.128 17.563  -16.88499      26.88995 
1 1 1 11  3  36 o 41.921   18.650  -7.5268    27.462  -23.2013   47.552  0.3167     33.638  51.545  23.575  49.287  21.311  2.257217       31.77988 
1 1 1 11  3  37 o 92.577   19.809  82.507     31.053  32.547     57.088  103.501    37.006  71.495  29.102  103.343 21.219  -31.84787      36.01637 
1 1 1 11  3  38 o 111.575  17.839  117.593    33.583  121.139    61.232  116.068    40.163  106.407 31.039  108.878 21.885  -2.471123      37.97883 
1 1 1 11  3  39 o 230.943  18.131  500.336    72.524  441.671    102.742 558.598    102.389 205.943 29.407  236.819 25.146  -30.87579      38.69234 
1 1 1 11  3  40 o 194.119  14.605  346.976    49.140  319.884    59.666  404.096    86.636  183.187 18.927  199.744 25.416  -16.55740      31.68923 
1 1 1 11  3  41 o 141.888  15.890  188.983    38.692  187.239    46.707  192.798    69.077  138.619 19.865  131.758 30.610  6.860794       36.49113 
1 1 1 11  3  42 o 58.935   20.879  31.944     26.892  46.602     34.134  7.9578     43.663  68.575  23.576  55.769  24.197  12.80562       33.78334 
1 1 1 11  3  43 o 269.544  14.922  680.068    69.955  579.805    85.560  882.247    121.497 241.835 20.454  292.120 24.033  -50.28496      31.55883 
1 1 1 11  3  44 o 40.156   16.990  4.7085     20.552  25.294     31.685  -10.2433   27.003  56.129  22.069  39.329  17.902  16.79935       28.41714 
1 1 1 11  3  45 o 42.771   17.428  10.305     20.499  10.958     30.848  9.7885     27.431  49.111  20.799  46.765  19.699  2.346592       28.64711 
1 1 1 11  3  46 o 70.832   19.321  52.440     24.558  56.240     34.270  48.428     35.209  71.378  23.621  67.116  23.879  4.262413       33.58829 
1 1 1 11  3  47 o 84.826   16.621  72.467     23.738  89.400     33.176  54.705     33.979  90.765  21.300  69.757  23.529  21.00793       31.73757 
1 1 1 11  3  48 o 99.938   15.096  98.650     25.521  111.210    35.931  85.862     36.256  100.999 21.057  86.055  23.477  14.94325       31.53668 
1 1 1 11  3  49 o 43.586   17.547  13.941     20.499  -8.1207    28.051  39.228     30.030  39.289  18.020  59.872  21.951  -20.58384      28.40040 
1 1 1 11  3  50 o 87.465   23.017  91.501     35.629  61.854     49.423  123.579    51.409  68.236  27.325  93.969  28.697  -25.73335      39.62494 
1 1 1 11  3  51 o 96.606   22.706  112.039    37.655  118.204    52.335  105.422    54.218  88.750  29.182  82.136  29.588  6.613869       41.55766 
1 1 1 11  3  52 o 65.115   22.957  54.289     32.472  90.704     44.702  13.607     47.249  78.517  26.981  51.373  23.498  27.14371       35.77861 
1 1 1 11  3  53 o 37.492   15.966  7.2831     18.348  12.162     24.473  1.0206     27.728  42.878  18.354  40.287  18.261  2.590958       25.89048 
1 1 1 11  3  54 o 65.852   18.699  51.325     22.504  42.284     32.050  60.117     31.607  57.062  22.266  66.538  22.691  -9.476089      31.79087 
1 1 1 11  3  55 f 36.163   15.897  4.5547     19.385  -2.0211    27.532  11.020     27.300  38.321  17.677  42.480  18.761  -4.158657      25.77691 
1 1 1 11  3  56 o 36.732   16.201  5.5869     20.289  1.0361     26.662  11.847     31.270  38.312  17.571  43.400  19.557  -5.088268      26.29099 
1 1 1 11  3  57 o 57.725   19.491  44.197     23.318  58.093     30.477  24.580     36.213  62.230  22.208  47.373  21.221  14.85760       30.71706 
1 1 1 11  3  58 o 35.012   15.805  3.2466     20.524  2.2800     26.529  4.6879     32.393  37.470  17.308  40.196  18.757  -2.725296      25.52222 
1 1 1 11  3  59 o 28.951   13.689  -9.0665    18.270  13.295     25.416  -32.9798   26.283  39.979  17.853  28.968  14.305  11.01097       22.87664 
1 1 1 11  4  0  o 177.156  10.450  276.009    32.181  299.061    45.864  253.653    45.166  183.852 14.402  169.044 15.474  14.80830       21.13915 
1 1 1 11  4  1  o 423.617  13.468  1576.96    99.618  1428.72    140.816 1725.48    140.947 401.615 20.081  441.908 18.267  -40.29263      27.14611 
1 1 1 11  4  2  o 439.357  13.859  1697.18    106.318 1593.12    150.242 1801.56    150.471 423.975 20.295  451.244 19.098  -27.26898      27.86757 
1 1 1 11  4  3  o 139.344  12.273  171.769    29.556  291.801    53.569  119.240    35.438  181.043 17.151  114.781 18.296  66.26164       25.07772 
1 1 1 11  4  4  o 254.902  13.105  572.450    58.131  605.916    101.341 556.040    70.966  260.016 22.545  250.586 16.308  9.429932       27.82473 
1 1 1 11  4  5  o 131.117  12.682  152.412    28.671  164.137    50.434  146.814    34.851  134.133 22.318  128.092 15.926  6.041183       27.41786 
1 1 1 11  4  6  o 145.627  12.544  187.656    31.586  196.364    55.459  183.476    38.427  146.965 22.313  143.457 15.592  3.508652       27.22130 
1 1 1 11  4  7  f 297.935  12.003  779.482    62.440  768.087    88.358  790.848    88.248  294.349 17.267  298.764 16.987  -4.415955      24.22215 
1 1 1 11  4  8  o 166.265  10.600  243.438    30.613  260.552    43.856  227.175    42.753  171.356 14.803  159.784 15.520  11.57236       21.44743 
1 1 1 11  4  9  o 66.381   15.202  40.381     17.241  42.434     25.137  38.557     23.693  68.436  19.866  65.439  19.370  2.997612       27.74580 
1 1 1 11  4  10 o 154.647  10.769  210.850    28.898  196.771    41.446  224.171    40.314  148.420 16.259  158.834 14.703  -10.41420      21.92100 
1 1 1 11  4  11 o 386.177  12.459  1311.04    84.013  1463.59    119.154 1160.22    118.475 406.887 16.771  361.215 18.850  45.67273       25.23083 
1 1 1 11  4  12 o ?        ?       -20.5267   3.0291  -12.4006   14.943  -20.8749   3.0933  28.014  12.958  ?       ?       0.000000       12.95755 
1 1 1 11  4  13 o 151.597  10.418  202.608    27.408  203.931    40.246  201.464    37.429  151.220 15.460  150.499 14.420  0.7210541      21.14067 
1 1 1 11  4  14 o ?        ?       -45.8038   6.0766  -42.4022   6.9121  -57.3789   12.750  ?       ?       ?       ?       0.000000       ?        
1 1 1 11  4  15 o 15.398   7.8038  -38.2497   10.622  -32.6290   16.132  -42.5519   14.114  23.411  11.491  19.032  9.5637  4.378756       14.94999 
1 1 1 11  4  16 o 182.424  16.445  296.931    51.818  296.931    51.818  0.0000     0.0000  182.424 16.445  ?       ?       0.000000       16.44480 
1 1 1 11  4  17 o 393.715  19.332  1380.80    132.899 1380.80    132.899 0.0000     0.0000  393.715 19.332  ?       ?       0.000000       19.33200 
1 1 1 11  4  18 o 279.497  17.423  696.235    84.605  696.235    84.605  0.0000     0.0000  279.497 17.423  ?       ?       0.000000       17.42306 
1 1 1 11  4  19 o 157.545  14.581  221.199    39.655  251.402    49.974  169.848    65.162  167.369 17.352  133.951 28.722  33.41806       33.55704 
1 1 1 11  4  20 o 184.074  14.236  301.214    45.400  329.212    56.900  252.163    75.314  191.732 17.179  164.378 27.191  27.35400       32.16307 
1 1 1 11  4  21 o 201.761  14.259  361.753    49.908  408.212    62.213  277.878    83.592  213.679 16.810  171.889 28.876  41.78999       33.41274 
1 1 1 11  4  22 o 143.800  19.638  188.340    48.019  78.904     67.189  302.591    68.652  95.063  33.055  182.020 22.051  -86.95711      39.73473 
1 1 1 11  4  23 o 328.699  15.055  958.404    86.406  765.273    106.478 1330.83    147.862 290.818 21.113  383.228 22.192  -92.41000      30.63082 
1 1 1 11  4  24 f 556.122  17.380  2760.99    168.763 3157.00    238.423 2363.35    238.913 589.644 23.158  505.944 27.143  83.70016       35.67958 
1 1 1 11  4  25 o ?        ?       -209.7863  11.537  -221.3974  12.935  -164.5976  25.518  ?       ?       ?       ?       0.000000       ?        
1 1 1 11  4  26 o ?        ?       -155.5621  11.610  -180.7932  13.248  -72.0568   24.102  ?       ?       24.833  12.481  0.000000       12.48096 
1 1 1 11  4  27 o 306.220  17.732  844.281    94.405  764.172    132.172 927.714    134.886 285.784 26.800  316.712 24.584  -30.92746      36.36818 
1 1 1 11  4  28 o 95.084   19.401  84.488     31.120  75.481     48.602  90.746     40.513  89.434  28.001  97.460  23.973  -8.026031      36.86146 
1 1 1 11  4  29 o 152.543  14.359  209.165    37.795  237.692    61.271  191.642    48.020  159.528 22.631  144.186 19.580  15.34122       29.92564 
1 1 1 11  4  30 o 90.858   17.640  76.867     26.975  100.260    42.260  60.781     35.043  102.043 24.103  80.093  23.515  21.94923       33.67340 
1 1 1 11  4  31 o 260.099  13.710  605.558    62.042  553.715    104.618 633.682    77.055  241.787 25.149  264.487 16.772  -22.69965      30.22831 
1 1 1 11  4  32 o 260.351  13.649  607.828    61.831  571.662    105.344 626.837    76.371  245.065 24.967  262.673 16.738  -17.60870      30.05910 
1 1 1 11  4  33 o 167.310  13.569  252.358    39.297  249.126    47.366  259.497    70.389  164.919 16.678  163.543 25.480  1.375259       30.45267 
1 1 1 11  4  34 o 165.146  17.726  252.303    50.314  193.472    71.961  308.569    70.374  136.852 30.852  179.584 22.969  -42.73187      38.46361 
1 1 1 11  4  35 o 108.352  21.135  113.424    38.550  98.959     55.652  126.766    53.450  97.804  29.855  111.374 27.620  -13.57027      40.67214 
1 1 1 11  4  36 o 105.043  16.620  103.426    29.469  77.325     54.340  114.301    35.074  87.434  29.753  109.441 19.046  -22.00738      35.32692 
1 1 1 11  4  37 o 50.588   19.375  18.301     23.935  3.2655     44.087  24.584     28.501  55.788  24.260  56.260  21.238  -0.4726563     32.24282 
1 1 1 11  4  38 o 146.863  17.679  204.005    44.424  167.552    63.556  238.828    62.118  124.586 29.646  154.568 23.778  -29.98163      38.00386 
1 1 1 11  4  39 o 74.314   19.591  54.750     25.783  73.620     30.559  8.1340     48.030  85.808  20.647  58.399  25.358  27.40826       32.70029 
1 1 1 11  4  40 o 167.294  14.281  259.634    41.315  246.195    48.984  292.758    76.903  160.334 17.797  165.630 27.560  -5.295593      32.80701 
1 1 1 11  4  41 o 93.191   19.058  86.431     29.964  86.473     33.710  86.273     65.408  91.815  21.419  86.560  32.275  5.255005       38.73581 
1 1 1 11  4  42 o 68.133   18.737  46.833     22.985  40.749     29.717  55.892     36.263  63.939  21.997  72.715  24.307  -8.775574      32.78271 
1 1 1 11  4  43 o 77.457   18.448  60.873     24.593  62.318     32.470  58.927     37.664  76.183  22.705  73.586  24.772  2.596893       33.60264 
1 1 1 11  4  44 o 46.235   18.333  15.301     22.037  15.057     28.965  15.637     33.955  49.606  20.518  52.140  21.937  -2.534706      30.03755 
1 1 1 11  4  45 o 185.700  12.402  322.765    39.981  222.801    55.364  431.713    57.798  143.297 22.898  210.535 15.839  -67.23801      27.84212 
1 1 1 11  4  46 o 66.666   19.520  47.621     24.177  48.077     32.765  47.076     35.823  65.732  23.070  65.166  23.963  0.5665359      33.26310 
1 1 1 11  4  47 o 107.220  15.580  114.789    28.314  112.126    38.891  117.793    41.300  98.923  22.958  100.411 23.901  -1.487366      33.14156 
1 1 1 11  4  48 o 60.026   20.700  40.013     26.324  24.908     32.255  70.143     45.555  52.965  21.753  72.706  26.970  -19.74181      34.64884 
1 1 1 11  4  49 o 90.104   23.478  99.113     37.309  109.628    53.310  89.020     52.232  85.387  29.457  77.227  28.832  8.159660       41.21949 
1 1 1 11  4  50 f 37.282   17.355  -10.6504   27.467  17.050     39.605  -36.3189   38.125  50.739  22.494  37.976  18.423  12.76342       29.07505 
1 1 1 11  4  51 o 46.697   20.288  15.087     30.778  13.628     44.430  16.434     42.676  50.252  22.908  50.532  22.802  -0.2797241     32.32208 
1 1 1 11  4  52 o 59.724   21.392  45.162     28.303  -8.4316    45.244  79.621     36.279  44.938  21.334  75.554  24.257  -30.61582      32.30392 
1 1 1 11  4  53 o 51.605   18.778  31.115     21.915  28.330     29.895  34.349     32.219  50.365  20.840  53.084  21.764  -2.719254      30.13278 
1 1 1 11  4  54 o 55.189   20.261  39.158     25.596  27.542     30.866  64.736     45.802  49.330  20.844  61.727  25.689  -12.39716      33.08143 
1 1 1 11  4  55 o 40.130   17.582  10.659     23.540  12.033     27.449  6.8377     45.768  42.015  18.671  45.456  21.544  -3.441414      28.50900 
1 1 1 11  4  56 o 33.872   15.518  -0.9619    20.722  -7.9271    26.200  10.675     33.865  34.848  16.452  42.673  19.656  -7.824532      25.63222 
1 1 1 11  4  57 o 35.317   16.038  3.1975     21.515  -0.6719    26.630  10.469     36.508  36.448  17.007  42.331  19.805  -5.882717      26.10569 
1 1 1 11  4  58 o 30.040   14.281  -9.9832    20.413  -6.6805    25.629  -15.7139   33.760  33.824  16.057  35.370  17.200  -1.546425      23.53012 
1 1 1 11  5  0  o 376.678  13.029  1247.26    85.693  1172.00    121.229 1322.41    121.147 363.206 19.184  386.675 17.943  -23.46954      26.26753 
1 1 1 11  5  1  o 329.864  12.306  955.888    70.879  869.688    100.178 1042.29    100.297 312.918 18.416  343.548 16.720  -30.62994      24.87398 
1 1 1 11  5  2  o 190.773  10.760  320.281    35.695  314.332    50.740  326.111    50.224  188.166 15.584  191.774 15.122  -3.607727      21.71451 
1 1 1 11  5  3  o 202.629  10.891  361.299    38.391  351.636    55.088  370.424    53.532  198.987 15.990  204.448 15.103  -5.461105      21.99502 
1 1 1 11  5  4  o 382.583  15.244  1290.81    101.832 1373.69    177.469 1250.12    124.337 390.071 26.209  374.992 19.052  15.07922       32.40194 
1 1 1 11  5  5  o 288.385  13.005  731.534    65.487  809.653    114.950 693.997    79.683  300.539 22.059  279.815 16.381  20.72394       27.47603 
1 1 1 11  5  6  o 528.435  19.214  2478.84    177.281 2364.79    307.588 2535.57    216.938 505.490 35.066  532.362 23.338  -26.87119      42.12244 
1 1 1 11  5  7  o 507.137  15.901  2271.79    140.801 2407.34    199.434 2137.08    198.813 519.295 21.995  488.619 23.303  30.67661       32.04377 
1 1 1 11  5  8  o 396.047  13.606  1381.49    94.093  1473.70    133.480 1290.42    132.658 407.445 18.762  380.328 20.047  27.11707       27.45730 
1 1 1 11  5  9  o 583.908  17.345  3020.49    176.838 3257.05    250.385 2785.05    249.789 602.490 23.801  555.858 25.736  46.63202       35.05498 
1 1 1 11  5  10 o 350.702  14.311  1084.84    87.636  1223.77    107.854 814.894    150.344 371.822 16.613  297.905 29.282  73.91629       33.66577 
1 1 1 11  5  11 o 259.783  12.806  594.198    58.088  685.842    72.223  426.320    97.751  278.295 14.917  215.645 26.520  62.64989       30.42742 
1 1 1 11  5  12 o 294.288  13.828  763.830    71.056  795.645    87.885  703.777    120.743 299.156 16.894  278.249 25.123  20.90762       30.27534 
1 1 1 11  5  13 o 245.306  13.560  532.255    57.855  513.058    71.391  568.987    98.750  239.893 17.157  250.770 22.802  -10.87750      28.53556 
1 1 1 11  5  14 o 191.423  13.217  324.588    43.904  323.420    54.014  326.864    75.373  190.338 16.413  189.293 23.296  1.045578       28.49723 
1 1 1 11  5  15 o 129.402  17.549  151.407    38.629  151.407    38.629  0.0000     0.0000  129.402 17.549  ?       ?       0.000000       17.54936 
1 1 1 11  5  16 o 168.878  16.888  255.736    49.131  255.736    49.131  0.0000     0.0000  168.878 16.888  ?       ?       0.000000       16.88825 
1 1 1 11  5  17 o 122.275  20.264  137.217    41.748  137.217    41.748  0.0000     0.0000  122.275 20.264  ?       ?       0.000000       20.26355 
1 1 1 11  5  18 o ?        ?       -635.4146  12.658  -557.2222  24.706  -663.2421  14.739  ?       ?       ?       ?       0.000000       ?        
1 1 1 11  5  19 o 254.481  13.580  574.223    60.122  791.215    74.352  164.314    102.191 298.934 14.245  129.129 40.631  169.8054       43.05587 
1 1 1 11  5  20 o 515.381  16.679  2366.18    150.090 2483.40    212.391 2249.24    212.129 523.089 23.254  496.817 24.454  26.27252       33.74497 
1 1 1 11  5  21 o ?        ?       -186.3346  9.7807  -121.8315  18.308  -212.0953  11.570  ?       ?       ?       ?       0.000000       ?        
1 1 1 11  5  22 o ?        ?       -162.7336  16.280  -176.3889  18.836  -122.3996  32.372  ?       ?       ?       ?       0.000000       ?        
1 1 1 11  5  23 o 83.688   19.319  65.491     27.658  50.251     33.681  97.050     48.468  74.243  23.321  100.559 27.024  -26.31567      35.69540 
1 1 1 11  5  24 o 59.186   18.105  31.677     20.453  23.000     29.553  39.652     28.334  57.425  21.639  66.593  21.443  -9.168282      30.46392 
1 1 1 11  5  25 o 168.770  11.576  253.038    33.906  260.759    48.485  245.648    47.433  169.836 16.560  164.743 16.721  5.093216       23.53395 
1 1 1 11  5  26 o 99.379   16.936  91.031     28.334  88.362     34.457  96.604     49.794  96.706  21.007  99.658  27.646  -2.951324      34.72150 
1 1 1 11  5  27 o 161.985  14.050  235.738    39.345  268.526    66.022  217.681    48.995  169.236 22.933  153.985 18.600  15.25166       29.52740 
1 1 1 11  5  28 o 58.728   19.265  30.551     22.815  8.2583     34.388  48.080     30.493  53.205  22.210  71.825  22.129  -18.61975      31.35288 
1 1 1 11  5  29 o 154.948  13.876  216.443    37.143  209.592    60.701  220.543    46.962  147.821 24.367  154.936 17.676  -7.114136      30.10277 
1 1 1 11  5  30 o 66.423   17.487  41.622     20.559  43.951     28.236  38.995     29.994  68.576  21.322  65.861  22.106  2.715050       30.71352 
1 1 1 11  5  31 o 108.415  16.346  108.894    29.981  110.622    50.290  107.942    37.343  104.794 27.235  106.124 20.896  -1.330643      34.32738 
1 1 1 11  5  32 o 75.133   19.583  54.346     25.953  51.161     43.087  56.160     32.513  74.796  26.436  76.111  22.728  -1.314827      34.86301 
1 1 1 11  5  33 o 45.444   18.361  10.108     22.534  -15.7168   36.926  25.432     28.445  46.259  21.009  57.018  21.279  -10.75875      29.90283 
1 1 1 11  5  34 o 149.421  14.099  204.228    36.350  125.477    62.424  244.630    44.712  107.706 31.317  162.646 15.949  -54.94064      35.14463 
1 1 1 11  5  35 o 112.911  21.017  124.909    39.911  0.0000     0.0000  124.909    39.911  ?       ?       112.911 21.017  0.000000       21.01749 
1 1 1 11  5  36 o 49.865   19.817  15.563     25.803  2.0930     34.247  33.251     39.244  49.359  21.423  64.029  24.735  -14.66997      32.72191 
1 1 1 11  5  37 f 68.788   20.950  47.023     27.426  43.830     35.502  51.747     43.190  67.689  23.989  72.775  26.379  -5.085464      35.65614 
1 1 1 11  5  38 o 67.540   20.165  45.579     25.597  45.579     25.597  0.0000     0.0000  67.540  20.165  ?       ?       0.000000       20.16547 
1 1 1 11  5  39 o 45.134   17.532  14.399     19.800  4.6711     22.568  46.921     41.265  41.848  17.760  69.075  25.659  -27.22734      31.20631 
1 1 1 11  5  40 o 47.436   18.145  17.488     20.976  22.082     24.153  3.3840     42.316  51.581  19.532  52.801  23.337  -1.219788      30.43190 
1 1 1 11  5  41 o 58.947   18.433  34.770     21.069  29.389     24.844  48.552     39.759  55.810  20.037  68.295  25.223  -12.48475      32.21298 
1 1 1 11  5  42 o 66.689   19.108  46.155     23.394  22.407     34.394  66.599     31.912  54.924  22.499  78.158  22.292  -23.23349      31.67275 
1 1 1 11  5  43 o 58.975   19.240  35.839     22.766  13.724     32.873  56.220     31.559  50.367  21.408  71.200  22.600  -20.83305      31.12934 
1 1 1 11  5  44 o 47.954   17.652  21.063     19.446  28.198     23.930  7.1918     33.366  53.662  19.607  47.772  20.931  5.889919       28.68046 
1 1 1 11  5  45 o 54.447   17.868  30.666     19.625  29.751     24.904  32.166     31.879  54.289  19.977  56.760  22.190  -2.470634      29.85800 
1 1 1 11  5  46 o 38.826   16.055  8.5977     17.728  14.311     22.163  -1.5503    29.538  44.384  18.107  42.002  18.960  2.381508       26.21748 
1 1 1 11  5  47 o 41.535   17.222  11.141     20.478  0.1154     22.533  63.456     49.082  37.876  16.869  68.110  27.246  -30.23338      32.04530 
1 1 1 11  5  48 o 52.553   20.489  29.119     27.120  6.5153     32.115  85.312     50.636  44.902  20.058  74.555  28.269  -29.65296      34.66236 
1 1 1 11  5  49 o 39.245   18.289  -8.8722    30.641  -15.2058   39.444  0.7672     48.661  42.078  19.960  48.601  22.779  -6.523399      30.28677 
1 1 1 11  5  50 o 44.363   20.232  5.1403     34.702  10.172     47.957  -0.3900    50.276  49.488  23.002  47.978  22.693  1.510468       32.31195 
1 1 1 11  5  51 o 53.293   21.582  34.657     31.209  34.709     51.887  34.627     39.065  54.469  24.801  53.576  23.066  0.8926582      33.86976 
1 1 1 11  5  52 o 42.084   17.409  15.759     20.853  10.757     24.994  27.217     37.829  41.351  18.117  50.118  22.112  -8.767178      28.58611 
1 1 1 11  5  53 o 37.485   16.356  7.6800     20.187  -6.4618    24.013  41.758     37.275  34.555  16.133  53.903  22.848  -19.34787      27.96963 
1 1 1 11  5  54 o 48.020   20.179  28.637     28.672  19.142     33.969  52.162     53.469  45.253  20.389  54.160  24.855  -8.907005      32.14738 
1 1 1 11  5  55 o 61.924   21.405  57.792     28.154  40.401     36.958  81.842     43.461  50.953  22.185  63.649  25.576  -12.69577      33.85651 
1 1 1 11  5  56 o 32.171   15.320  -9.7744    23.689  -1.9257    30.912  -20.9425   36.873  37.278  17.679  35.813  17.536  1.464382       24.90063 
1 1 1 11  6  0  o 371.527  19.111  1229.63    123.558 1200.48    175.314 1258.40    174.166 363.047 27.869  372.223 26.981  -9.176331      38.78962 
1 1 1 11  6  1  o 570.685  25.533  2935.40    254.427 2751.15    360.056 3119.15    359.572 540.858 38.375  578.730 35.759  -37.87250      52.45321 
1 1 1 11  6  2  o 142.365  11.575  179.296    28.523  243.006    36.594  80.674     45.530  165.679 12.748  93.248  26.638  72.43155       29.53105 
1 1 1 11  6  3  o 202.024  15.456  362.731    54.108  354.150    78.097  370.653    75.037  197.485 23.084  202.579 21.544  -5.093826      31.57564 
1 1 1 11  6  4  o 195.790  15.000  340.541    50.889  376.391    73.524  307.572    70.507  204.309 20.905  184.035 22.404  20.27327       30.64214 
1 1 1 11  6  5  o 363.938  17.741  1175.94    112.738 1339.18    161.426 1020.51    157.517 384.979 24.137  334.317 27.220  50.66208       36.38028 
1 1 1 11  6  6  o 81.660   18.460  61.592     25.703  123.208    47.972  36.781     30.441  114.834 24.661  66.024  22.270  48.80996       33.22821 
1 1 1 11  6  7  o 213.758  13.004  404.167    48.305  415.673    61.254  385.243    78.558  215.982 16.364  206.130 22.175  9.852325       27.55967 
1 1 1 11  6  8  o 79.765   17.143  58.588     23.164  38.916     33.127  77.410     32.404  68.120  23.230  91.279  20.795  -23.15871      31.17847 
1 1 1 11  6  9  o 311.063  14.168  854.880    76.951  854.639    95.188  855.335    130.732 309.523 17.686  306.622 24.626  2.901306       30.31906 
1 1 1 11  6  10 o 76.500   18.365  54.190     24.220  110.441    35.856  6.9889     32.846  109.681 19.434  52.439  21.783  57.24233       29.19218 
1 1 1 11  6  11 o ?        ?       -135.9036  6.4695  -184.0151  11.049  -110.8043  7.9805  ?       ?       ?       ?       0.000000       ?        
1 1 1 11  6  12 f 184.348  12.501  301.075    40.000  388.524    58.355  223.569    54.937  208.583 16.148  156.632 20.586  51.95096       26.16404 
1 1 1 11  6  13 o 501.453  15.136  2229.54    132.528 1784.62    187.415 2674.54    187.430 442.691 24.339  546.354 19.647  -103.6629      31.27982 
1 1 1 11  6  14 o 503.483  18.721  2268.00    164.579 2184.09    285.255 2309.87    201.498 479.695 34.283  505.128 22.846  -25.43335      41.19763 
1 1 1 11  6  15 o 171.323  13.337  261.111    39.583  180.706    47.688  439.218    70.976  140.538 19.998  220.783 18.584  -80.24522      27.29994 
1 1 1 11  6  16 o 117.938  20.973  128.909    41.608  128.909    41.608  0.0000     0.0000  117.938 20.973  ?       ?       0.000000       20.97337 
1 1 1 11  6  17 o ?        ?       -68.0734   13.604  -68.0734   13.604  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 11  6  18 o 143.786  13.532  184.825    33.575  155.762    41.475  240.078    57.187  130.441 18.749  161.751 20.725  -31.30995      27.94727 
1 1 1 11  6  19 o 274.009  11.927  663.776    57.061  613.671    80.464  714.465    80.932  260.935 17.766  282.230 16.495  -21.29501      24.24304 
1 1 1 11  6  20 o 147.335  11.325  192.880    28.912  170.463    40.313  216.622    41.488  136.852 17.254  155.056 15.533  -18.20404      23.21576 
1 1 1 11  6  21 o 36.463   14.933  4.3951     15.147  25.204     19.767  -25.2055   23.575  54.053  17.942  33.210  15.656  20.84356       23.81224 
1 1 1 11  6  22 o 167.654  11.018  249.547    32.074  239.565    43.727  261.173    47.190  162.908 15.562  169.969 16.092  -7.060165      22.38598 
1 1 1 11  6  23 o 75.193   16.118  52.619     20.525  56.615     26.693  46.840     32.104  77.404  19.701  71.466  22.806  5.937576       30.13652 
1 1 1 11  6  24 o 152.656  11.300  207.645    29.907  173.842    40.665  247.464    44.136  137.702 17.294  165.343 15.468  -27.64101      23.20222 
1 1 1 11  6  25 o 38.470   15.163  7.9084     14.990  14.299     20.457  0.5000     22.026  46.791  17.914  40.707  17.418  6.083630       24.98600 
1 1 1 11  6  26 o 53.283   18.324  24.124     20.621  42.502     41.377  18.051     23.785  70.998  25.807  51.015  19.367  19.98295       32.26579 
1 1 1 11  6  27 o 165.100  16.315  249.543    46.416  0.0000     0.0000  249.543    46.416  ?       ?       165.100 16.315  0.000000       16.31458 
1 1 1 11  6  28 o 99.147   19.910  94.050     33.270  0.0000     0.0000  94.050     33.270  ?       ?       99.147  19.910  0.000000       19.90958 
1 1 1 11  6  29 o 83.817   16.500  66.212     23.288  56.983     36.000  72.855     30.539  76.608  24.118  86.627  20.508  -10.01874      31.65824 
1 1 1 11  6  30 o 185.563  12.968  311.577    41.754  325.234    69.263  303.780    52.331  183.787 22.022  181.131 16.736  2.655716       27.65976 
1 1 1 11  6  31 o 98.175   15.461  90.082     25.627  73.792     40.074  101.354    33.334  85.241  25.180  102.517 19.331  -17.27659      31.74494 
1 1 1 11  6  32 o 69.538   22.386  47.079     30.882  61.611     36.656  11.537     57.327  78.202  24.291  63.967  27.740  14.23541       36.87154 
1 1 1 11  6  33 o 35.439   15.031  1.9581     16.150  4.0371     18.880  -3.7116    31.178  39.030  16.386  45.317  20.030  -6.286758      25.87894 
1 1 1 11  6  34 f 44.013   16.624  14.351     17.467  4.2587     20.296  43.175     34.300  40.208  16.941  67.085  23.601  -26.87634      29.05140 
1 1 1 11  6  35 o 36.237   15.436  2.0086     17.158  6.1335     20.320  -8.2400    32.029  41.036  17.097  44.037  19.823  -3.001171      26.17761 
1 1 1 11  6  36 o 127.749  14.283  153.049    31.314  159.797    36.313  133.473    61.849  129.145 16.479  105.872 31.284  23.27241       35.35911 
1 1 1 11  6  37 o 103.619  15.715  103.269    27.540  118.682    32.407  63.195     52.254  110.097 17.439  76.329  28.771  33.76768       33.64352 
1 1 1 11  6  38 o 68.104   18.848  47.398     23.173  51.206     26.149  33.468     50.013  70.210  20.227  64.427  26.831  5.783127       33.60095 
1 1 1 11  6  39 o 57.768   18.722  33.518     21.573  37.255     24.827  21.998     43.588  60.477  20.109  58.086  24.669  2.390701       31.82682 
1 1 1 11  6  40 o 77.490   19.619  63.368     26.571  83.067     39.060  46.401     36.251  84.794  24.807  65.735  24.115  19.05923       34.59656 
1 1 1 11  6  41 o 51.736   19.937  23.951     25.447  47.170     36.645  2.3273     35.364  65.385  24.202  47.331  21.103  18.05365       32.11002 
1 1 1 11  6  42 o 57.449   22.003  33.462     30.870  44.742     38.038  11.697     52.838  63.509  24.401  55.935  25.294  7.574116       35.14507 
1 1 1 11  6  43 o 37.858   16.622  1.4903     21.136  -41.7163   28.684  52.821     31.265  31.841  15.564  67.257  22.570  -35.41574      27.41593 
1 1 1 11  6  44 f 99.426   19.929  109.173    33.393  109.173    33.393  0.0000     0.0000  99.426  19.929  ?       ?       0.000000       19.92939 
1 1 1 11  6  45 o 97.518   20.831  108.978    34.392  108.978    34.392  0.0000     0.0000  97.518  20.831  ?       ?       0.000000       20.83087 
1 1 1 11  6  46 o 68.773   21.228  57.510     28.046  57.510     28.046  0.0000     0.0000  68.773  21.228  ?       ?       0.000000       21.22826 
1 1 1 11  6  47 f 65.052   25.651  61.673     42.918  61.673     42.918  0.0000     0.0000  65.052  25.651  ?       ?       0.000000       25.65102 
1 1 1 11  6  48 o 87.322   23.901  102.854    37.505  93.250     48.224  117.555    59.666  74.571  27.731  77.730  30.367  -3.158646      41.12345 
1 1 1 11  6  49 o 39.975   17.402  9.0169     22.733  24.023     35.031  -1.8994    29.878  49.242  21.515  39.645  18.332  9.597137       28.26569 
1 1 1 11  6  50 o 60.352   18.549  44.689     21.440  40.975     28.198  49.777     33.009  55.452  21.079  58.707  22.683  -3.255348      30.96540 
1 1 1 11  6  51 o 31.580   14.398  -2.2970    17.558  -4.2155    21.330  1.7353     30.922  33.488  15.486  40.000  18.550  -6.512253      24.16488 
1 1 1 11  6  52 o 29.458   13.834  -8.6391    18.097  -2.7170    21.887  -21.4370   32.175  33.938  15.692  34.845  16.908  -0.9069290     23.06806 
1 1 1 11  6  53 o 56.332   19.807  45.018     24.158  8.1273     38.157  69.697     31.209  42.148  19.884  66.120  22.548  -23.97172      30.06300 
1 1 1 11  6  54 o 42.091   17.798  20.357     22.530  -18.9380   33.288  53.576     30.606  34.661  16.904  56.342  21.822  -21.68065      27.60317 
1 1 1 11  7  0  o 235.348  10.594  486.981    43.536  521.999    62.069  453.069    61.081  242.444 14.732  225.571 15.604  16.87305       21.45988 
1 1 1 11  7  1  o 32.057   14.098  -3.9792    15.260  12.659     22.810  -17.4584   20.530  47.973  18.766  32.572  15.109  15.40139       24.09255 
1 1 1 11  7  2  o ?        ?       -181.5344  6.0741  -185.8632  7.0810  -169.4771  11.818  ?       ?       ?       ?       0.000000       ?        
1 1 1 11  7  3  o ?        ?       -445.5795  8.9958  -462.1395  11.879  -423.3118  13.775  ?       ?       ?       ?       0.000000       ?        
1 1 1 11  7  4  o 245.958  13.910  536.750    59.495  400.627    102.636 605.635    73.013  206.593 29.272  260.611 16.124  -54.01837      33.41888 
1 1 1 11  7  5  o 202.293  14.038  363.847    49.279  179.736    86.789  451.447    59.865  135.029 36.110  225.063 15.325  -90.03438      39.22731 
1 1 1 11  7  6  o 272.949  12.248  657.416    58.373  624.313    82.895  689.976    82.213  263.754 18.109  277.762 17.034  -14.00800      24.86151 
1 1 1 11  7  7  o 133.258  11.257  157.561    25.948  162.333    36.182  152.507    37.232  134.275 15.731  129.809 16.822  4.466095       23.03104 
1 1 1 11  7  8  o 19.193   9.2299  -13.5490   9.0686  -64.1766   19.044  1.2988     10.313  21.112  10.671  29.000  12.139  -7.888033      16.16261 
1 1 1 11  7  9  f 60.123   16.639  33.227     18.061  18.004     27.757  44.403     23.784  53.964  20.814  69.242  19.067  -15.27815      28.22755 
1 1 1 11  7  10 o 223.222  11.042  439.329    43.037  435.483    61.174  443.097    60.557  220.516 15.997  222.553 15.684  -2.035919      22.40265 
1 1 1 11  7  11 o 179.705  10.876  285.755    33.965  273.995    49.098  296.549    47.037  174.504 16.302  182.025 14.931  -7.521011      22.10664 
1 1 1 11  7  12 o 107.147  12.906  103.085    23.660  107.859    33.465  98.315     33.456  108.195 18.371  102.917 19.327  5.277794       26.66545 
1 1 1 11  7  13 o 61.852   16.846  35.383     18.686  45.765     26.473  25.075     26.378  70.271  20.384  56.981  20.622  13.29039       28.99541 
1 1 1 11  7  14 o 95.078   15.618  82.706     25.027  83.429     30.408  81.189     44.063  94.573  19.073  92.122  26.167  2.450424       32.38021 
1 1 1 11  7  15 o 99.634   15.075  90.466     25.407  58.608     31.266  152.393    43.591  78.836  21.920  128.204 20.137  -49.36768      29.76534 
1 1 1 11  7  16 o 328.021  14.658  960.446    83.952  956.732    102.572 967.985    146.118 325.043 18.145  320.732 26.324  4.311066       31.97158 
1 1 1 11  7  17 o 135.068  11.383  162.637    26.595  187.629    37.557  137.501    37.666  144.054 15.159  122.096 18.226  21.95778       23.70613 
1 1 1 11  7  18 o 61.664   16.369  35.439     17.919  24.792     25.426  45.945     25.257  56.071  20.253  69.963  19.790  -13.89244      28.31627 
1 1 1 11  7  19 o 117.541  11.774  123.840    23.840  108.182    33.507  139.892    33.927  107.736 18.477  123.688 16.090  -15.95197      24.50108 
1 1 1 11  7  20 o 71.704   14.613  47.708     17.675  36.742     23.752  61.313     26.458  63.153  19.543  80.374  19.129  -17.22107      27.34656 
1 1 1 11  7  21 o 100.674  12.343  91.622     21.243  99.803     28.930  82.050     31.292  103.827 16.511  92.827  19.904  10.99995       25.86057 
1 1 1 11  7  22 o 76.002   16.885  54.467     21.826  42.825     34.417  62.298     28.227  69.005  23.676  80.556  20.126  -11.55049      31.07469 
1 1 1 11  7  23 o 49.542   17.282  20.507     18.374  28.931     27.033  13.274     25.050  58.713  20.920  48.991  19.508  9.722622       28.60442 
1 1 1 11  7  24 o 41.640   16.548  9.2542     17.993  26.638     25.151  -8.9666    25.750  56.468  20.172  39.899  17.882  16.56906       26.95741 
1 1 1 11  7  25 o 129.408  17.651  156.819    38.842  0.0000     0.0000  156.819    38.842  ?       ?       129.408 17.651  0.000000       17.65056 
1 1 1 11  7  26 o 65.980   21.243  41.219     27.808  0.0000     0.0000  41.219     27.808  ?       ?       65.980  21.243  0.000000       21.24292 
1 1 1 11  7  27 o 146.460  25.205  215.993    62.133  0.0000     0.0000  215.993    62.133  ?       ?       146.460 25.205  0.000000       25.20530 
1 1 1 11  7  28 o 51.256   17.858  22.851     19.615  18.834     28.541  26.447     27.003  53.106  20.925  56.433  20.797  -3.326637      29.50203 
1 1 1 11  7  29 o 124.771  12.079  141.927    25.985  122.567    36.153  162.618    37.375  112.405 19.104  131.246 16.686  -18.84125      25.36529 
1 1 1 11  7  30 o 117.382  11.935  125.934    24.120  120.548    33.679  131.607    34.561  111.864 17.842  117.216 17.416  -5.352577      24.93306 
1 1 1 11  7  31 o 55.917   16.931  30.043     17.951  26.231     25.304  33.905     25.470  55.037  20.155  59.795  20.369  -4.758259      28.65510 
1 1 1 11  7  32 o 204.518  11.196  380.259    39.830  409.534    55.649  349.508    57.034  208.671 15.382  190.913 17.297  17.75807       23.14720 
1 1 1 11  7  33 o 105.601  13.330  104.410    24.031  107.176    33.080  101.320    34.969  103.645 18.978  99.487  20.800  4.158218       28.15689 
1 1 1 11  7  34 o 101.265  13.062  96.261     22.557  91.956     30.628  101.364    33.345  95.393  19.055  99.719  19.849  -4.326027      27.51494 
1 1 1 11  7  35 o 71.551   17.521  51.757     21.715  62.499     26.895  31.641     36.806  77.476  19.805  59.904  23.712  17.57199       30.89515 
1 1 1 11  7  36 o 48.044   17.197  21.015     18.287  11.955     22.317  39.526     31.901  44.472  18.160  62.181  22.651  -17.70876      29.03180 
1 1 1 11  7  37 o 44.001   18.055  11.675     22.194  11.675     22.194  0.0000     0.0000  44.001  18.055  ?       ?       0.000000       18.05471 
1 1 1 11  7  38 o 51.130   16.891  26.019     17.527  39.953     22.882  6.2366     27.265  61.391  19.212  44.205  19.150  17.18557       27.12607 
1 1 1 11  7  39 o 42.245   16.607  13.681     17.936  23.065     22.766  -1.6740    29.122  49.893  18.946  42.131  18.940  7.761700       26.78963 
1 1 1 11  7  40 o 130.777  12.731  164.446    28.702  149.070    37.890  185.148    43.965  118.252 18.994  130.885 19.861  -12.63293      27.48139 
1 1 1 11  7  41 o 59.293   18.105  38.258     20.464  55.031     24.848  2.9036     36.076  69.964  19.572  46.234  20.904  23.72959       28.63689 
1 1 1 11  7  42 o 34.223   15.143  0.0152     17.866  -1.9948    19.805  8.7970     41.397  34.898  15.659  49.265  22.323  -14.36727      27.26763 
1 1 1 11  7  43 o 72.363   19.334  60.299     24.894  74.087     28.712  18.553     49.960  79.194  20.577  53.136  24.249  26.05811       31.80306 
1 1 1 11  7  44 o 67.019   19.622  53.343     24.430  52.728     27.424  55.707     53.769  65.123  21.109  61.772  26.826  3.350819       34.13599 
1 1 1 11  7  45 o 36.101   15.682  4.8835     18.382  -6.8343    20.374  56.160     42.621  32.843  15.170  61.727  25.138  -28.88388      29.36046 
1 1 1 11  7  46 o 32.689   15.116  -6.4282    20.315  -8.1365    27.034  -4.2122    30.790  36.493  17.064  39.476  18.376  -2.982857      25.07701 
1 1 1 11  7  47 o 31.942   14.943  -8.9691    20.773  -15.4868   26.471  1.4785     33.514  33.941  16.171  41.571  19.291  -7.630512      25.17234 
1 1 1 11  7  48 o 28.081   13.646  -23.8278   21.160  -22.6821   29.785  -24.9953   30.066  33.920  16.414  33.626  16.323  0.2940865      23.14887 
1 1 1 11  7  49 o 32.910   15.453  -7.6701    22.568  -29.7110   32.699  12.379     31.187  33.746  16.521  42.564  19.322  -8.817406      25.42200 
1 1 1 11  7  50 o 37.772   16.412  10.510     20.145  24.201     23.081  -33.2677   41.272  44.941  18.423  36.288  17.920  8.652317       25.70092 
1 1 1 11  7  51 o 69.114   19.737  66.317     24.999  75.408     29.462  42.944     47.241  70.100  21.777  49.511  22.949  20.58915       31.63754 
1 1 1 11  7  52 o 44.206   17.317  25.336     19.443  25.409     23.014  25.154     36.339  43.957  18.245  44.158  20.348  -0.2010918     27.32948 
1 1 1 11  8  0  o 277.179  11.667  678.887    56.466  612.857    79.555  745.922    80.158  260.839 17.570  288.625 15.968  -27.78525      23.74166 
1 1 1 11  8  1  o 27.235   12.179  -4.9910    11.873  -2.3283    16.558  -7.8086    17.033  34.238  14.878  32.239  14.490  1.998554       20.76779 
1 1 1 11  8  2  o 76.765   15.878  54.490     20.580  77.609     37.852  44.788     24.520  90.311  23.704  69.396  19.453  20.91592       30.66464 
1 1 1 11  8  3  o 67.261   19.025  41.982     23.343  30.239     36.295  50.266     30.483  64.220  24.023  73.604  22.013  -9.384026      32.58360 
1 1 1 11  8  4  o 248.005  16.436  553.315    70.772  453.102    100.474 651.998    99.704  218.979 26.840  266.525 21.611  -47.54674      34.45853 
1 1 1 11  8  5  o 107.522  13.139  104.114    24.153  102.287    29.896  107.547    40.986  105.574 16.779  106.449 22.742  -0.8743973     28.26197 
1 1 1 11  8  6  o 205.407  10.850  373.819    38.778  368.497    54.732  379.184    54.948  202.365 15.610  205.361 15.437  -2.996017      21.95404 
1 1 1 11  8  7  o 94.778   11.860  80.777     19.197  82.605     27.272  78.981     27.027  94.463  17.167  92.248  17.418  2.214256       24.45608 
1 1 1 11  8  8  o 112.239  11.056  112.492    21.385  119.091    30.616  106.205    29.884  114.257 15.766  107.588 16.429  6.668564       22.77045 
1 1 1 11  8  9  o 168.137  10.680  250.990    31.191  239.486    44.115  262.490    44.107  162.646 15.730  170.625 14.956  -7.979019      21.70520 
1 1 1 11  8  10 o 55.497   14.565  28.563     14.292  14.680     21.921  38.826     18.848  48.067  18.509  64.437  16.637  -16.36984      24.88763 
1 1 1 11  8  11 o 94.698   15.691  82.607     25.036  85.727     44.727  81.183     30.213  93.650  26.280  92.769  19.282  0.8816299      32.59510 
1 1 1 11  8  12 o 192.728  12.109  331.640    40.543  323.641    49.062  348.864    71.995  189.281 14.967  193.112 21.729  -3.831070      26.38479 
1 1 1 11  8  13 o 138.492  12.466  172.248    29.821  187.935    36.502  140.760    51.714  143.941 14.731  119.946 25.479  23.99517       29.43069 
1 1 1 11  8  14 o 69.886   16.760  46.019     20.188  25.843     25.244  81.811     33.623  56.341  20.201  92.203  21.312  -35.86115      29.36439 
1 1 1 11  8  15 o 98.856   15.935  90.500     26.571  70.428     33.862  122.661    42.863  85.128  22.457  112.680 22.573  -27.55196      31.84090 
1 1 1 11  8  16 o 109.076  13.029  108.011    24.324  100.665    37.802  113.201    31.775  101.950 21.890  110.272 17.053  -8.322624      27.74851 
1 1 1 11  8  17 o 215.803  12.263  417.926    46.016  332.807    76.541  466.101    57.584  185.354 24.230  226.662 14.628  -41.30827      28.30319 
1 1 1 11  8  18 o 55.887   16.534  29.117     17.266  26.755     23.524  31.876     25.422  55.869  19.551  59.793  20.350  -3.924332      28.22039 
1 1 1 11  8  19 o 117.251  13.390  125.420    26.921  118.576    41.389  130.439    35.442  110.017 22.309  117.759 17.792  -7.742065      28.53495 
1 1 1 11  8  20 o 85.458   15.267  68.396     21.945  70.932     33.475  66.485     29.060  84.552  22.339  82.470  20.314  2.082581       30.19458 
1 1 1 11  8  21 o 36.980   15.098  5.5308     15.424  9.6661     20.290  -0.1304    23.741  43.405  17.463  41.364  17.894  2.041992       25.00336 
1 1 1 11  8  22 o 36.899   14.832  6.6322     14.622  7.3210     18.415  5.4570     24.054  40.553  16.520  43.970  18.480  -3.417374      24.78782 
1 1 1 11  8  23 o 106.062  13.882  104.136    25.092  89.387     41.113  112.892    31.675  92.926  24.854  108.921 17.228  -15.99492      30.24141 
1 1 1 11  8  24 o 35.985   15.347  1.5054     17.000  7.7583     26.278  -2.9953    22.294  46.328  19.384  38.695  17.028  7.633038       25.80095 
1 1 1 11  8  25 o 46.497   17.230  17.096     18.585  -1.5054    29.211  29.747     24.089  44.500  19.539  57.013  19.794  -12.51304      27.81310 
1 1 1 11  8  26 o 82.929   13.167  64.307     18.428  51.986     23.285  84.961     30.147  72.413  18.384  92.512  19.288  -20.09959      26.64559 
1 1 1 11  8  27 o 68.344   14.740  44.914     17.073  26.791     20.824  82.070     29.817  53.780  18.418  90.508  19.447  -36.72837      26.78419 
1 1 1 11  8  28 o 134.793  11.386  166.363    26.547  152.472    35.508  183.969    39.973  125.843 16.562  138.093 16.933  -12.24995      23.68569 
1 1 1 11  8  29 o 103.754  13.553  101.354    23.966  98.684     33.392  104.191    34.417  98.307  20.131  101.022 20.217  -2.714981      28.53045 
1 1 1 11  8  30 o 50.046   17.174  23.393     18.108  5.2480     23.374  50.628     28.636  42.256  18.008  69.369  21.457  -27.11319      28.01215 
1 1 1 11  8  31 o 101.419  14.113  98.389     24.315  98.876     33.043  97.814     35.907  97.585  20.063  95.517  21.985  2.068443       29.76377 
1 1 1 11  8  32 o 113.138  12.991  121.130    25.199  112.875    35.362  129.647    35.917  103.789 20.240  112.523 18.955  -8.734032      27.72961 
1 1 1 11  8  33 f 83.233   15.301  68.550     21.417  80.841     29.042  53.896     31.711  87.528  19.502  69.501  22.709  18.02724       29.93338 
1 1 1 11  8  34 o 78.608   17.851  64.375     23.943  63.142     28.278  67.495     44.997  75.724  20.765  73.815  26.900  1.909096       33.98223 
1 1 1 11  8  35 o 127.723  14.231  159.277    31.197  172.445    37.833  131.300    55.147  130.075 17.070  97.974  29.678  32.10036       34.23656 
1 1 1 11  8  36 f 28.255   13.143  -10.4742   15.708  7.7896     19.016  -49.7089   27.871  39.271  16.464  29.827  14.729  9.444614       22.09100 
1 1 1 11  8  37 o 130.314  12.432  163.602    27.945  146.622    37.817  184.025    41.476  116.174 19.322  131.160 18.634  -14.98598      26.84349 
1 1 1 11  8  38 o 62.182   19.587  44.088     23.741  41.577     26.737  53.446     51.622  59.898  20.850  63.892  26.974  -3.993759      34.09298 
1 1 1 11  8  39 o 40.836   17.087  10.784     20.422  3.1499     22.595  44.860     47.736  38.657  17.071  60.105  25.678  -21.44791      30.83423 
1 1 1 11  8  40 o 35.198   15.559  1.5001     18.815  1.3971     20.209  2.1703     51.547  36.128  16.039  49.452  23.263  -13.32365      28.25675 
1 1 1 11  8  41 o 44.040   17.544  18.113     20.268  16.968     22.273  23.628     48.882  44.062  18.084  52.572  23.990  -8.510681      30.04247 
1 1 1 11  8  42 f 43.705   17.861  17.471     21.613  24.208     23.587  -17.7965   53.965  47.704  18.951  45.339  21.977  2.365261       29.01916 
1 1 1 11  8  43 o 46.450   18.008  23.456     20.858  17.019     22.941  54.158     50.104  43.443  18.138  58.265  25.586  -14.82265      31.36332 
1 1 1 11  8  44 o 59.924   19.782  46.516     24.042  34.815     36.846  55.190     31.725  51.833  22.358  61.457  22.558  -9.624096      31.76091 
1 1 1 11  8  45 o 46.300   18.483  24.828     22.538  32.964     33.296  17.948     30.618  50.234  21.453  44.616  19.778  5.618141       29.17872 
1 1 1 11  8  46 o 93.420   20.300  113.665    32.167  129.141    50.560  103.142    41.694  78.609  28.534  75.682  26.054  2.927010       38.63972 
1 1 1 11  8  47 o 63.653   20.129  57.254     25.055  52.532     28.362  74.038     53.467  58.342  21.342  56.743  25.571  1.598446       33.30693 
1 1 1 11  8  48 o 41.941   17.876  19.851     23.039  31.561     25.928  -24.0909   50.226  47.312  19.476  39.030  19.363  8.281422       27.46286 
1 1 1 11  8  49 o 42.238   17.182  22.262     19.883  28.652     24.485  9.8897     34.072  45.202  18.795  39.960  18.833  5.242363       26.60675 
1 1 1 11  9  0  o 100.545  23.535  98.494     40.588  0.0000     0.0000  98.494     40.588  ?       ?       100.545 23.535  0.000000       23.53535 
1 1 1 11  9  1  o 67.795   22.685  41.697     31.584  0.0000     0.0000  41.697     31.584  ?       ?       67.795  22.685  0.000000       22.68504 
1 1 1 11  9  2  o 56.468   19.100  27.853     22.393  0.0000     0.0000  27.853     22.393  ?       ?       56.468  19.100  0.000000       19.10028 
1 1 1 11  9  3  o 114.204  12.528  117.832    24.572  102.720    39.179  127.629    31.547  102.934 22.433  117.823 15.727  -14.88891      27.39631 
1 1 1 11  9  4  o 134.226  12.288  162.187    28.479  138.285    46.636  176.401    35.965  119.372 23.210  139.016 15.057  -19.64370      27.66652 
1 1 1 11  9  5  o 208.635  12.580  390.832    45.615  359.169    77.024  407.936    56.610  193.705 23.237  211.719 15.419  -18.01384      27.88747 
1 1 1 11  9  6  o 142.019  12.062  181.456    29.629  134.003    48.719  209.307    37.325  116.454 24.724  151.745 14.254  -35.29093      28.53864 
1 1 1 11  9  7  o 143.511  12.355  185.662    30.657  166.398    49.549  197.611    39.024  131.225 22.431  146.821 15.454  -15.59541      27.23930 
1 1 1 11  9  8  o 124.224  12.608  139.734    26.968  134.199    43.207  143.266    34.517  117.734 21.821  124.362 16.288  -6.627174      27.22965 
1 1 1 11  9  9  o 254.917  13.175  586.457    58.443  536.846    99.511  612.578    72.208  234.592 24.663  258.511 16.077  -23.91908      29.44031 
1 1 1 11  9  10 o 21.735   10.296  -12.1163   10.425  -26.7381   12.839  16.176     17.859  20.545  10.117  45.980  16.918  -25.43485      19.71206 
1 1 1 11  9  11 f 103.450  16.718  100.561    29.168  97.678     37.712  104.855    46.018  99.431  22.274  101.319 25.910  -1.887459      34.16825 
1 1 1 11  9  12 o 134.349  15.339  166.885    35.338  156.524    47.824  179.344    52.445  126.195 22.531  134.903 23.095  -8.708359      32.26490 
1 1 1 11  9  13 o 102.613  16.467  99.169     28.507  100.061    37.878  98.004     43.292  100.337 22.208  97.793  25.197  2.544022       33.58670 
1 1 1 11  9  14 o 75.328   14.673  53.445     18.605  47.898     25.026  60.300     27.818  70.005  19.663  78.204  20.222  -8.199127      28.20552 
1 1 1 11  9  15 o 88.957   15.919  74.951     23.818  64.289     28.324  100.696    44.014  80.616  20.171  98.479  25.423  -17.86231      32.45284 
1 1 1 11  9  16 o 151.178  12.978  208.986    33.925  173.396    40.885  287.655    60.785  134.971 17.781  172.010 20.651  -37.03885      27.25159 
1 1 1 11  9  17 o 62.362   16.528  37.591     18.287  36.218     24.579  39.292     27.367  61.512  19.987  63.904  21.107  -2.392220      29.06876 
1 1 1 11  9  18 o 70.676   15.411  47.934     18.482  65.095     25.398  28.619     26.945  81.397  18.313  57.186  20.819  24.21079       27.72763 
1 1 1 11  9  19 o 57.051   17.008  31.395     18.218  10.108     24.842  56.166     26.798  46.201  19.046  74.703  20.102  -28.50208      27.69218 
1 1 1 11  9  20 o 62.817   17.763  38.865     20.353  54.950     24.347  1.5441     37.086  74.164  18.781  50.137  22.015  24.02676       28.93783 
1 1 1 11  9  21 o 149.808  11.458  205.059    29.745  184.405    41.169  227.616    43.024  138.082 17.466  154.589 16.179  -16.50720      23.80797 
1 1 1 11  9  22 o 155.637  13.832  226.365    37.196  307.282    66.189  189.016    44.968  172.917 22.452  138.100 19.165  34.81659       29.51969 
1 1 1 11  9  23 o 137.339  14.299  178.013    33.787  214.367    61.055  161.965    40.565  140.013 25.929  127.653 18.759  12.35948       32.00316 
1 1 1 11  9  24 o 66.841   19.908  46.129     24.970  45.621     45.021  46.354     30.009  67.694  26.397  66.658  22.106  1.035583       34.43052 
1 1 1 11  9  25 o 96.781   13.284  88.765     21.855  75.119     28.525  108.166    34.011  85.132  19.596  102.563 19.708  -17.43036      27.79172 
1 1 1 11  9  26 o 75.071   15.163  55.454     19.191  55.176     24.256  55.920     31.381  72.834  18.907  71.514  22.518  1.320122       29.40293 
1 1 1 11  9  27 o 114.601  12.833  124.328    25.239  137.533    33.795  107.675    37.952  117.372 16.984  99.036  22.463  18.33529       28.16136 
1 1 1 11  9  28 o 60.097   16.797  37.020     18.309  16.025     24.092  65.718     28.167  47.028  18.991  77.830  20.458  -30.80165      27.91368 
1 1 1 11  9  29 o 84.431   14.351  70.083     20.399  82.175     26.561  52.694     31.853  89.136  17.690  68.024  22.781  21.11191       28.84292 
1 1 1 11  9  30 o 64.964   16.375  43.683     18.569  47.439     24.090  38.186     29.147  65.876  19.539  59.445  21.652  6.430412       29.16456 
1 1 1 11  9  31 o 69.427   15.870  49.688     18.819  59.769     24.248  34.420     29.841  74.206  18.717  57.002  21.681  17.20432       28.64210 
1 1 1 11  9  32 o 139.161  14.390  192.023    34.460  192.490    41.332  190.959    62.408  135.062 17.973  115.940 30.440  19.12197       35.34962 
1 1 1 11  9  33 o 78.962   20.908  72.646     29.281  72.646     29.281  0.0000     0.0000  78.962  20.908  ?       ?       0.000000       20.90809 
1 1 1 11  9  34 o 50.028   19.673  25.049     25.180  25.049     25.180  0.0000     0.0000  50.028  19.673  ?       ?       0.000000       19.67287 
1 1 1 11  9  35 o 67.348   18.458  51.613     22.351  42.001     25.967  79.103     43.911  59.298  20.553  72.968  26.576  -13.66917      33.59607 
1 1 1 11  9  36 o 43.212   17.314  16.601     19.855  23.652     22.854  -5.1001    40.093  47.979  18.780  44.066  20.661  3.913162       27.92049 
1 1 1 11  9  37 o 44.704   17.562  19.653     20.047  14.698     22.383  39.738     45.067  42.793  17.896  56.005  24.438  -13.21235      30.28984 
1 1 1 11  9  38 o 58.456   19.487  42.169     23.309  40.779     26.552  46.837     48.669  56.622  20.659  57.077  25.137  -0.4548759     32.53689 
1 1 1 11  9  39 o 35.022   15.001  6.3062     16.367  11.550     20.322  -3.3764    27.613  39.740  16.859  37.801  17.530  1.938816       24.32124 
1 1 1 11  9  40 o 27.831   12.933  -7.0869    15.146  -3.0377    17.943  -17.1225   28.247  31.703  14.493  34.349  16.458  -2.645662      21.92980 
1 1 1 11  9  41 o 18.634   9.3170  -29.9307   12.616  -28.2293   14.869  -34.3022   23.834  21.411  10.607  27.840  13.724  -6.429432      17.34477 
1 1 1 11  9  42 o 34.116   15.430  1.7083     19.674  -14.8941   30.780  13.177     25.581  35.350  17.001  40.994  18.130  -5.643688      24.85419 
1 1 1 11  9  43 o 48.417   20.412  32.732     29.492  25.201     35.324  50.057     53.579  45.908  20.728  51.562  24.081  -5.653812      31.77343 
1 1 1 11  9  44 f 42.984   18.714  21.357     26.294  17.062     38.533  25.101     35.969  43.277  20.280  45.000  20.552  -1.723122      28.87285 
1 1 1 11  9  45 o 33.685   14.841  6.7272     16.982  -4.6260    21.502  25.551     27.686  31.917  15.017  43.882  19.151  -11.96512      24.33675 
1 1 1 11  10 0  o 95.627   14.609  85.320     23.619  46.239     43.214  101.968    28.205  71.095  26.288  104.071 16.036  -32.97632      30.79328 
1 1 1 11  10 1  o 150.052  11.268  203.389    29.306  180.446    41.500  226.210    41.390  138.010 17.624  156.107 15.385  -18.09720      23.39447 
1 1 1 11  10 2  o 105.530  11.509  101.338    20.863  100.884    29.766  101.776    29.250  102.858 17.180  103.527 16.753  -0.6686630     23.99638 
1 1 1 11  10 3  o 100.014  11.823  91.393     20.247  63.740     28.676  118.882    28.591  80.014  20.449  112.901 14.865  -32.88770      25.28061 
1 1 1 11  10 4  o 67.816   13.815  43.396     15.804  32.587     23.192  52.765     21.592  58.890  19.429  73.789  17.094  -14.89812      25.87873 
1 1 1 11  10 5  o 185.143  12.920  313.271    41.505  293.695    51.613  349.101    69.826  176.434 16.963  188.280 21.633  -11.84532      27.49024 
1 1 1 11  10 6  o 45.440   15.322  18.293     14.410  29.631     19.372  4.2499     21.559  55.936  17.701  41.225  17.420  14.71175       24.83499 
1 1 1 11  10 7  o 260.831  11.160  613.903    50.825  514.075    70.238  723.628    73.638  232.842 17.402  279.031 15.171  -46.18846      23.08663 
1 1 1 11  10 8  f 149.798  11.225  203.774    29.147  172.367    38.628  245.303    44.417  134.533 16.811  161.375 15.973  -26.84233      23.18951 
1 1 1 11  10 9  o 162.591  12.921  243.139    36.379  258.796    44.069  209.645    64.456  166.064 15.373  139.345 27.468  26.71941       31.47719 
1 1 1 11  10 10 o 42.782   16.220  13.550     16.668  13.477     18.849  13.812     35.698  44.096  17.112  53.678  22.534  -9.582687      28.29499 
1 1 1 11  10 11 f 105.284  13.650  103.703    24.502  96.945     29.168  119.905    45.161  99.766  17.376  105.908 24.850  -6.142097      30.32195 
1 1 1 11  10 12 o 138.176  11.421  174.667    27.309  165.197    35.990  187.520    41.928  131.550 15.998  138.998 17.675  -7.448181      23.84030 
1 1 1 11  10 13 o 164.743  11.118  247.677    31.795  228.373    43.945  268.884    46.060  154.180 16.585  168.007 15.890  -13.82739      22.96824 
1 1 1 11  10 14 o 147.436  11.607  199.696    29.638  192.956    41.234  206.900    42.630  140.964 17.103  146.071 17.034  -5.107117      24.13881 
1 1 1 11  10 15 o 82.731   14.542  65.783     20.240  84.226     28.641  47.383     28.607  91.463  18.568  67.518  21.526  23.94536       28.42767 
1 1 1 11  10 16 o 85.417   16.064  71.585     23.079  34.933     36.104  96.912     30.012  61.365  23.719  98.337  18.148  -36.97241      29.86522 
1 1 1 11  10 17 o 45.085   16.847  16.805     17.841  -4.4454    27.121  33.016     23.688  40.967  18.357  57.681  19.644  -16.71403      26.88639 
1 1 1 11  10 18 o 101.144  15.057  99.192     25.781  89.620     32.115  116.540    43.234  92.310  20.462  101.884 24.585  -9.574570      31.98619 
1 1 1 11  10 19 o 33.792   14.225  3.4550     14.288  7.1501     19.155  -1.1793    21.452  39.829  16.597  37.703  16.642  2.126286       23.50383 
1 1 1 11  10 20 o 69.055   19.517  50.634     24.576  70.954     45.488  42.258     29.205  76.477  27.149  62.987  21.799  13.48997       34.81730 
1 1 1 11  10 21 o 55.995   18.851  32.045     21.811  20.609     38.790  37.333     26.376  54.730  23.258  59.653  20.712  -4.923222      31.14375 
1 1 1 11  10 22 o 78.621   21.895  69.656     31.169  11.731     44.310  126.393    43.853  53.469  23.744  104.067 24.534  -50.59819      34.14176 
1 1 1 11  10 23 o 79.458   17.993  66.465     24.383  66.076     29.628  67.280     42.925  76.543  21.358  73.203  26.332  3.340401       33.90424 
1 1 1 11  10 24 o 86.819   14.781  75.216     21.604  71.232     29.976  79.522     31.163  79.223  21.237  83.862  21.255  -4.638908      30.04603 
1 1 1 11  10 25 o 73.852   15.609  55.934     19.499  52.765     26.401  59.736     28.921  68.165  20.509  71.786  21.435  -3.621429      29.66649 
1 1 1 11  10 26 o 65.903   16.602  45.986     19.094  59.641     26.178  30.459     27.913  72.499  20.020  54.127  20.874  18.37191       28.92261 
1 1 1 11  10 27 o 127.048  14.240  161.078    31.045  159.070    37.528  165.432    55.257  121.710 18.219  108.853 28.674  12.85708       33.97227 
1 1 1 11  10 28 o 63.047   17.864  44.097     20.563  52.436     23.975  20.888     39.997  67.626  19.334  51.955  22.837  15.67137       29.92166 
1 1 1 11  10 29 o 80.063   16.830  69.142     22.780  75.286     26.842  53.322     43.070  81.228  19.224  62.659  25.361  18.56856       31.82353 
1 1 1 11  10 30 o 54.546   18.857  34.070     21.851  34.070     21.851  0.0000     0.0000  54.546  18.857  ?       ?       0.000000       18.85698 
1 1 1 11  10 31 f 109.499  19.136  137.297    35.255  137.297    35.255  0.0000     0.0000  109.499 19.136  ?       ?       0.000000       19.13582 
1 1 1 11  10 32 o 77.687   20.547  74.674     28.300  74.674     28.300  0.0000     0.0000  77.687  20.547  ?       ?       0.000000       20.54734 
1 1 1 11  10 33 o 70.841   18.534  59.672     23.189  60.730     27.294  56.926     43.968  68.485  20.909  60.278  25.135  8.206501       32.69426 
1 1 1 11  10 34 o 33.594   14.495  4.7897     15.495  8.7432     19.468  -2.0441    25.596  37.916  16.303  37.066  17.079  0.8507576      23.61118 
1 1 1 11  10 35 o 95.742   14.941  99.260     24.162  107.485    33.496  90.338     34.887  90.387  21.531  78.514  23.565  11.87298       31.92025 
1 1 1 11  10 36 o 64.859   17.371  50.648     20.067  59.186     27.061  40.217     29.912  65.271  20.949  53.371  21.297  11.89973       29.87372 
1 1 1 11  10 37 o 42.509   16.512  19.952     17.562  25.610     23.394  12.646     26.584  46.097  18.679  41.118  18.317  4.979160       26.16158 
1 1 1 11  10 38 o 46.258   17.671  26.637     19.879  26.859     27.212  26.382     29.111  46.141  19.538  46.017  19.861  0.1240730      27.86033 
1 1 1 11  10 39 o 64.871   17.993  54.655     21.095  24.188     29.139  88.205     30.578  44.469  19.520  76.834  21.789  -32.36511      29.25421 
1 1 1 11  10 40 o 36.589   17.016  3.6144     26.299  11.700     37.046  -4.5998    37.340  41.272  19.508  38.150  18.441  3.121887       26.84465 
1 1 1 11  11 0  o 29.738   13.500  -6.8979    15.229  -3.0637    17.537  -18.6579   30.712  33.797  14.976  39.474  18.367  -5.677155      23.69899 
1 1 1 11  11 1  o 89.862   12.413  75.716     18.957  87.375     28.763  66.761     25.207  93.174  18.333  81.233  18.220  11.94153       25.84707 
1 1 1 11  11 2  o 154.821  10.694  219.338    28.731  236.942    41.821  203.603    39.539  157.159 15.440  145.263 15.846  11.89677       22.12383 
1 1 1 11  11 3  o 135.654  11.194  169.503    26.277  188.822    37.721  151.290    36.627  139.827 15.723  123.700 17.442  16.12701       23.48243 
1 1 1 11  11 4  o 109.541  11.934  111.791    22.457  129.004    33.599  97.894     30.190  113.981 17.437  98.506  18.224  15.47480       25.22214 
1 1 1 11  11 5  o 179.131  11.582  296.579    36.033  274.294    50.006  320.645    51.967  166.570 17.453  181.145 16.615  -14.57484      24.09693 
1 1 1 11  11 6  o 137.212  14.161  179.623    33.441  195.092    39.507  140.529    62.804  141.142 16.332  103.284 31.748  37.85764       35.70262 
1 1 1 11  11 7  o 128.686  14.427  158.988    31.859  190.449    38.490  90.541     56.773  139.461 16.103  83.788  30.264  55.67314       34.28093 
1 1 1 11  11 8  f 125.662  14.647  152.432    31.534  155.688    37.618  144.736    57.834  124.284 17.847  106.654 29.868  17.62939       34.79387 
1 1 1 11  11 9  o 165.715  13.407  260.789    38.462  243.043    46.789  297.769    67.544  155.665 17.519  163.211 24.454  -7.546204      30.08203 
1 1 1 11  11 10 o 163.679  11.514  249.584    32.697  197.318    45.178  307.072    47.382  138.034 19.270  177.308 15.459  -39.27443      24.70498 
1 1 1 11  11 11 o 130.319  12.414  160.563    27.906  126.802    37.586  202.033    41.657  108.894 20.520  141.602 17.201  -32.70811      26.77633 
1 1 1 11  11 12 o 67.465   17.192  47.269     20.311  38.725     26.912  58.578     30.961  60.208  20.921  71.799  22.328  -11.59121      30.59733 
1 1 1 11  11 13 o 42.777   16.598  14.587     17.733  22.423     23.143  3.4452     27.596  49.721  19.050  43.082  18.952  6.638443       26.87144 
1 1 1 11  11 14 o 99.292   14.317  96.945     24.104  105.727    31.595  84.713     37.285  99.961  18.791  84.013  24.139  15.94813       30.59074 
1 1 1 11  11 15 o 75.346   18.992  61.647     24.978  46.990     27.834  122.280    56.611  64.430  21.286  91.980  30.356  -27.54945      37.07506 
1 1 1 11  11 16 o 114.542  16.002  133.164    31.130  133.807    35.992  131.254    62.022  111.636 19.154  91.890  31.769  19.74615       37.09654 
1 1 1 11  11 17 o 140.680  20.428  218.205    48.712  191.648    66.855  248.260    71.122  112.506 32.322  132.364 31.270  -19.85800      44.97295 
1 1 1 11  11 18 o 161.115  19.953  285.520    54.931  246.206    74.193  333.216    81.718  126.623 33.163  152.465 31.729  -25.84144      45.89687 
1 1 1 11  11 19 o 130.909  21.670  197.398    47.800  129.858    63.133  288.120    73.170  87.325  31.857  143.069 30.237  -55.74432      43.92160 
1 1 1 11  11 20 o 46.137   20.507  9.0450     33.131  12.526     40.964  2.4610     56.334  49.876  22.438  51.868  24.374  -1.992458      33.12954 
1 1 1 11  11 21 o 92.186   19.533  96.423     30.463  65.320     34.525  205.760    64.732  70.506  23.717  114.579 31.416  -44.07262      39.36357 
1 1 1 11  11 22 o 44.162   19.379  10.248     28.699  -8.5356    34.500  52.447     51.710  41.260  19.288  61.513  26.510  -20.25314      32.78467 
1 1 1 11  11 23 o 46.674   19.053  20.349     24.557  14.198     27.817  42.077     52.282  45.012  19.421  57.965  25.763  -12.95268      32.26350 
1 1 1 11  11 24 o 58.081   20.286  41.326     25.319  29.054     28.327  90.082     56.462  51.199  20.621  70.390  28.830  -19.19022      35.44584 
1 1 1 11  11 25 o 107.308  18.562  131.508    33.520  118.145    38.076  177.538    70.667  94.974  23.167  89.899  33.542  5.074623       40.76514 
1 1 1 11  11 26 o 149.005  13.041  224.842    33.587  197.673    45.848  256.311    49.342  126.058 21.607  147.221 19.688  -21.16296      29.23178 
1 1 1 11  11 27 o 48.750   19.009  27.318     23.347  35.412     29.243  13.086     38.775  52.838  21.066  46.316  21.222  6.521545       29.90235 
1 1 1 11  11 28 o 79.250   19.871  78.680     27.447  95.392     34.386  49.336     45.564  82.647  22.990  56.183  24.542  26.46430       33.62839 
1 1 1 11  11 29 o 61.302   21.651  53.679     28.895  80.192     43.862  33.350     38.407  66.300  25.999  50.791  22.350  15.50902       34.28527 
1 1 1 11  11 30 o 78.124   19.517  77.841     26.545  92.049     32.583  49.794     45.778  80.507  22.374  54.472  24.164  26.03559       32.93142 
1 1 1 11  11 31 o 72.358   18.231  65.306     23.024  67.645     29.472  61.643     36.881  67.547  21.882  59.712  23.705  7.834343       32.26040 
1 1 1 11  11 32 o 30.324   14.367  -10.1625   20.313  -10.3987   21.672  -8.4536    58.289  31.158  14.784  43.364  21.392  -12.20606      26.00395 
1 1 1 11  11 33 o 43.892   18.382  23.383     23.664  24.815     25.720  15.487     60.399  44.623  18.950  45.558  22.335  -0.9348183     29.29142 
1 1 1 11  11 34 o 43.411   18.106  23.618     22.825  46.017     27.365  -27.6014   41.381  53.692  20.679  35.999  17.808  17.69253       27.29025 
1 1 1 11  11 35 o 43.442   18.590  25.057     25.096  23.676     27.438  32.127     62.080  42.933  18.892  45.536  22.389  -2.603394      29.29444 
1 1 1 11  12 0  o 54.909   15.945  31.224     16.191  38.061     23.941  25.460     21.980  58.982  19.750  50.718  18.749  8.264397       27.23248 
1 1 1 11  12 1  o 107.481  14.869  115.383    27.157  104.039    35.703  130.958    41.835  95.166  21.936  105.519 23.326  -10.35271      32.02023 
1 1 1 11  12 2  o 44.861   17.792  16.582     20.758  23.912     24.124  -4.3211    40.740  50.112  19.383  46.588  21.495  3.523182       28.94374 
1 1 1 11  12 3  o 55.037   18.803  32.511     21.704  25.243     26.012  49.167     39.379  51.173  20.034  63.660  24.725  -12.48666      31.82302 
1 1 1 11  12 4  f 39.599   17.412  3.1143     23.271  3.1143     23.271  0.0000     0.0000  39.599  17.412  ?       ?       0.000000       17.41193 
1 1 1 11  12 5  o 36.872   16.477  -0.9197    21.688  -0.9197    21.688  0.0000     0.0000  36.872  16.477  ?       ?       0.000000       16.47656 
1 1 1 11  12 6  o 160.517  17.085  269.601    47.148  269.601    47.148  0.0000     0.0000  160.517 17.085  ?       ?       0.000000       17.08459 
1 1 1 11  12 7  o 31.098   14.381  -8.9936    18.388  5.0989     21.127  -53.0152   37.341  38.816  16.836  35.075  17.268  3.740818       24.11757 
1 1 1 11  12 8  o 57.430   18.857  36.990     21.856  32.093     24.938  53.213     45.390  54.044  19.973  63.470  25.905  -9.425774      32.71076 
1 1 1 11  12 9  o 108.991  21.307  138.567    39.095  133.366    52.277  145.167    58.891  94.302  28.961  94.362  30.952  -0.5992889E-01 42.38855 
1 1 1 11  12 10 o 119.646  20.368  163.863    41.026  105.812    55.013  236.600    61.579  79.766  29.628  131.580 27.680  -51.81390      40.54582 
1 1 1 11  12 11 o 166.095  12.258  269.121    35.299  253.293    47.976  287.803    52.121  151.544 18.516  160.860 18.918  -9.315994      26.47167 
1 1 1 11  12 12 o 72.519   17.111  57.900     21.317  40.868     28.421  79.806     32.232  57.915  21.337  79.489  22.311  -21.57404      30.87098 
1 1 1 11  12 13 o 107.599  13.885  117.680    25.478  125.644    34.487  108.110    37.803  104.409 19.638  91.153  23.575  13.25625       30.68284 
1 1 1 11  12 14 o 64.056   17.545  46.624     20.201  56.111     26.996  34.553     30.451  66.981  20.852  53.969  21.503  13.01156       29.95342 
1 1 1 11  12 15 o 71.863   18.798  60.693     23.857  62.950     35.682  58.869     32.082  66.407  23.991  65.754  22.842  0.6529007      33.12643 
1 1 1 11  12 16 o 90.852   17.600  92.910     26.912  79.583     42.421  101.887    34.815  70.666  26.062  88.569  22.475  -17.90297      34.41476 
1 1 1 11  12 17 o 54.855   18.851  36.315     21.821  11.788     30.160  63.256     31.609  43.898  19.536  67.467  22.693  -23.56938      29.94435 
1 1 1 11  12 18 o 130.050  13.513  174.174    30.237  211.738    41.558  131.917    44.078  136.163 17.914  93.746  26.012  42.41715       31.58426 
1 1 1 11  12 19 o 53.253   18.981  35.058     22.255  35.737     31.004  34.337     31.965  52.542  21.424  51.922  21.522  0.6204300      30.36718 
1 1 1 11  12 20 o 71.899   18.959  63.911     24.142  68.541     33.609  58.976     34.701  67.331  23.380  61.846  23.414  5.484844       33.08828 
1 1 1 11  12 21 o 46.532   18.036  25.146     20.921  7.5973     28.356  46.109     30.992  40.694  18.454  56.291  21.915  -15.59661      28.64976 
1 1 1 11  12 22 o 38.639   16.565  11.303     19.992  37.347     27.026  -20.1736   29.711  52.287  20.434  34.045  16.455  18.24186       26.23615 
1 1 1 11  12 23 o 61.757   18.587  49.216     21.683  45.406     31.097  52.822     30.248  54.682  21.748  58.664  21.934  -3.981770      30.88792 
1 1 1 11  12 24 o 64.435   20.482  58.919     25.914  28.848     46.634  72.354     31.170  47.894  22.401  68.142  22.526  -20.24794      31.76816 
1 1 1 11  12 25 o 83.287   18.716  88.754     26.555  127.602    33.475  22.806     43.615  97.813  20.266  45.748  21.482  52.06460       29.53275 
1 1 1 11  12 26 o 66.508   23.196  76.184     33.101  76.184     33.101  0.0000     0.0000  66.508  23.196  ?       ?       0.000000       23.19642 
1 1 1 11  12 27 o 41.533   18.738  17.693     28.807  17.693     28.807  0.0000     0.0000  41.533  18.738  ?       ?       0.000000       18.73839 
1 1 1 11  12 28 o 66.331   19.096  62.233     23.313  67.899     31.801  55.652     34.276  61.005  22.552  53.810  22.294  7.194447       31.71169 
1 1 1 11  13 0  o 65.125   19.133  51.335     23.192  38.644     27.921  79.574     41.651  55.372  20.993  70.927  25.875  -15.55496      33.31977 
1 1 1 11  13 1  o 44.431   17.269  20.090     19.218  23.813     23.430  12.436     33.599  47.288  18.855  45.287  20.353  2.000645       27.74435 
1 1 1 11  13 2  o 55.478   18.721  37.148     21.512  42.911     26.664  26.403     36.409  57.649  20.752  50.135  21.918  7.513882       30.18347 
1 1 1 11  13 3  o 37.739   16.184  8.3622     19.092  34.388     23.635  -40.4991   32.385  53.022  19.469  32.777  16.126  20.24543       25.28044 
1 1 1 11  13 4  o 39.105   15.885  12.974     16.966  31.232     23.173  -8.1182    24.907  50.996  19.172  34.997  16.369  15.99969       25.20950 
1 1 1 11  13 5  o 41.801   16.603  16.962     18.103  15.662     24.192  18.617     27.291  42.953  18.313  45.039  19.333  -2.085789      26.62947 
1 1 1 11  13 6  o 54.861   17.341  35.734     18.597  49.898     25.184  18.749     27.578  61.676  20.241  44.968  19.370  16.70846       28.01630 
1 1 1 11  13 7  o 32.163   14.373  0.6686     16.505  10.552     21.360  -13.9766   26.001  39.365  17.002  33.788  16.079  5.576248       23.40065 
1 1 1 11  13 8  o 58.927   17.736  42.256     19.742  46.188     26.138  37.033     30.124  58.259  20.591  52.431  21.213  5.827377       29.56316 
1 1 1 11  13 9  o 55.906   17.448  38.034     18.887  19.045     24.382  66.526     29.866  43.753  18.508  67.985  22.028  -24.23233      28.77172 
1 1 1 11  13 10 o 45.676   18.291  24.067     22.147  21.481     25.486  32.040     44.755  44.797  18.935  49.975  22.862  -5.178371      29.68554 
1 1 1 11  13 11 o 36.329   16.042  6.4825     19.954  5.2243     22.558  11.010     42.787  37.076  16.668  44.692  21.076  -7.616756      26.87040 
1 1 1 11  13 12 o 35.055   15.786  3.2631     20.332  3.2340     31.372  3.2842     26.697  39.727  18.512  38.023  17.491  1.704807       25.46785 
1 1 1 11  13 13 o 80.871   19.123  83.962     26.578  86.585     42.467  82.274     34.076  66.335  25.701  71.183  23.554  -4.848335      34.86155 
1 1 1 11  13 14 o 67.533   19.343  61.357     23.976  44.126     35.907  75.222     32.208  51.953  22.235  68.256  22.908  -16.30313      31.92386 
1 1 1 11  13 15 o 124.245  12.834  164.184    27.442  99.882     37.130  241.588    40.738  75.934  24.557  142.592 16.677  -66.65889      29.68453 
1 1 1 11  13 16 o 84.319   19.102  93.600     27.472  96.664     41.593  91.229     36.590  68.548  25.702  70.928  24.408  -2.380356      35.44503 
1 1 1 11  13 17 o 60.656   17.868  48.881     20.204  45.593     25.898  53.994     32.295  54.137  20.285  55.154  22.087  -1.016304      29.98857 
1 1 1 12  0  0  o 49.693   20.508  30.364     17.646  30.364     17.646  30.364     17.646  49.693  20.508  49.693  20.508  0.000000       0.000000 
1 1 1 12  0  1  o 614.248  26.326  3345.87    281.173 3345.87    281.173 3345.87    281.173 614.248 26.326  614.248 26.326  0.000000       0.000000 
1 1 1 12  0  2  o 97.511   16.496  90.090     25.673  90.090     25.673  90.090     25.673  97.511  16.496  97.511  16.496  0.000000       0.000000 
1 1 1 12  0  3  o 352.224  18.307  1097.26    111.897 1097.26    111.897 1097.26    111.897 352.224 18.307  352.224 18.307  0.000000       0.000000 
1 1 1 12  0  4  o 47.593   22.033  29.026     20.222  29.026     20.222  29.026     20.222  47.593  22.033  47.593  22.033  0.000000       0.000000 
1 1 1 12  0  5  o 17.626   12.369  -15.6986   14.517  -15.6986   14.517  -15.6986   14.517  17.626  12.369  17.626  12.369  0.000000       0.000000 
1 1 1 12  0  6  o 25.361   17.451  -18.5099   25.392  -18.5099   25.392  -18.5099   25.392  25.361  17.451  25.361  17.451  0.000000       0.000000 
1 1 1 12  0  7  o 41.908   24.502  18.369     29.912  18.369     29.912  18.369     29.912  41.908  24.502  41.908  24.502  0.000000       0.000000 
1 1 1 12  0  8  o 159.075  24.159  237.460    62.517  237.460    62.517  237.460    62.517  159.075 24.159  159.075 24.159  0.000000       0.000000 
1 1 1 12  0  9  o 329.459  25.961  975.136    147.213 975.136    147.213 975.136    147.213 329.459 25.961  329.459 25.961  0.000000       0.000000 
1 1 1 12  0  10 o 161.043  23.771  242.586    62.567  242.586    62.567  242.586    62.567  161.043 23.771  161.043 23.771  0.000000       0.000000 
1 1 1 12  0  11 o 28.406   18.004  2.4500     19.300  2.4500     19.300  2.4500     19.300  28.406  18.004  28.406  18.004  0.000000       0.000000 
1 1 1 12  0  12 o 326.074  25.801  955.741    144.781 955.741    144.781 955.741    144.781 326.074 25.801  326.074 25.801  0.000000       0.000000 
1 1 1 12  0  13 o ?        ?       -60.7607   16.189  -60.7607   16.189  -60.7607   16.189  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 12  0  14 o 130.423  26.687  167.309    53.728  167.309    53.728  167.309    53.728  130.423 26.687  130.423 26.687  0.000000       0.000000 
1 1 1 12  0  15 o 83.246   34.422  86.190     49.684  86.190     49.684  86.190     49.684  83.246  34.422  83.246  34.422  0.000000       0.000000 
1 1 1 12  0  16 o 77.815   36.684  79.113     56.235  79.113     56.235  79.113     56.235  77.815  36.684  77.815  36.684  0.000000       0.000000 
1 1 1 12  0  17 o 462.314  31.752  1927.65    253.539 1927.65    253.539 1927.65    253.539 462.314 31.752  462.314 31.752  0.000000       0.000000 
1 1 1 12  0  18 o 232.237  26.986  495.978    105.575 495.978    105.575 495.978    105.575 232.237 26.986  232.237 26.986  0.000000       0.000000 
1 1 1 12  0  19 o 99.475   37.843  119.344    61.825  119.344    61.825  119.344    61.825  99.475  37.843  99.475  37.843  0.000000       0.000000 
1 1 1 12  0  20 o 247.701  17.857  547.514    76.311  547.514    76.311  547.514    76.311  247.701 17.857  247.701 17.857  0.000000       0.000000 
1 1 1 12  0  21 o ?        ?       -314.8058  25.499  -314.8058  25.499  -314.8058  25.499  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 12  0  22 o 458.224  31.824  1901.42    251.800 1901.42    251.800 1901.42    251.800 458.224 31.824  458.224 31.824  0.000000       0.000000 
1 1 1 12  0  23 o 351.995  28.317  1122.90    171.449 1122.90    171.449 1122.90    171.449 351.995 28.317  351.995 28.317  0.000000       0.000000 
1 1 1 12  0  24 o ?        ?       -392.3937  30.716  -392.3937  30.716  -392.3937  30.716  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 12  0  25 o ?        ?       -142.1823  38.100  -142.1823  38.100  -142.1823  38.100  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 12  0  26 o 26.417   18.452  -30.3297   31.246  -30.3297   31.246  -30.3297   31.246  26.417  18.452  26.417  18.452  0.000000       0.000000 
1 1 1 12  0  27 o 47.446   26.384  27.567     32.341  27.567     32.341  27.567     32.341  47.446  26.384  47.446  26.384  0.000000       0.000000 
1 1 1 12  0  28 o 73.380   29.616  66.582     37.037  66.582     37.037  66.582     37.037  73.380  29.616  73.380  29.616  0.000000       0.000000 
1 1 1 12  0  29 o 49.299   26.400  31.198     31.145  31.198     31.145  31.198     31.145  49.299  26.400  49.299  26.400  0.000000       0.000000 
1 1 1 12  0  30 o 40.310   23.472  17.689     27.280  17.689     27.280  17.689     27.280  40.310  23.472  40.310  23.472  0.000000       0.000000 
1 1 1 12  0  31 o 30.681   20.120  -3.6393    26.960  -3.6393    26.960  -3.6393    26.960  30.681  20.120  30.681  20.120  0.000000       0.000000 
1 1 1 12  0  32 o 104.123  23.764  109.952    37.645  109.952    37.645  109.952    37.645  104.123 23.764  104.123 23.764  0.000000       0.000000 
1 1 1 12  0  33 o 179.676  17.256  293.396    52.990  293.396    52.990  293.396    52.990  179.676 17.256  179.676 17.256  0.000000       0.000000 
1 1 1 12  0  34 o 234.633  17.176  495.489    69.502  495.489    69.502  495.489    69.502  234.633 17.176  234.633 17.176  0.000000       0.000000 
1 1 1 12  0  35 f 56.778   31.424  41.860     45.633  41.860     45.633  41.860     45.633  56.778  31.424  56.778  31.424  0.000000       0.000000 
1 1 1 12  0  36 o 80.263   34.948  85.079     50.790  85.079     50.790  85.079     50.790  80.263  34.948  80.263  34.948  0.000000       0.000000 
1 1 1 12  0  37 o 143.543  29.867  210.006    66.011  210.006    66.011  210.006    66.011  143.543 29.867  143.543 29.867  0.000000       0.000000 
1 1 1 12  0  38 o 54.721   29.881  40.003     40.634  40.003     40.634  40.003     40.634  54.721  29.881  54.721  29.881  0.000000       0.000000 
1 1 1 12  0  39 o 122.917  19.656  145.131    38.952  145.131    38.952  145.131    38.952  122.917 19.656  122.917 19.656  0.000000       0.000000 
1 1 1 12  0  40 o 39.852   23.646  17.076     28.598  17.076     28.598  17.076     28.598  39.852  23.646  39.852  23.646  0.000000       0.000000 
1 1 1 12  0  41 o 31.129   20.143  0.6354     25.774  0.6354     25.774  0.6354     25.774  31.129  20.143  31.129  20.143  0.000000       0.000000 
1 1 1 12  0  42 o 95.137   25.318  98.011     36.339  98.011     36.339  98.011     36.339  95.137  25.318  95.137  25.318  0.000000       0.000000 
1 1 1 12  0  43 o 95.698   24.304  97.983     35.113  97.983     35.113  97.983     35.113  95.698  24.304  95.698  24.304  0.000000       0.000000 
1 1 1 12  0  44 o 29.686   19.737  -5.5320    27.386  -5.5320    27.386  -5.5320    27.386  29.686  19.737  29.686  19.737  0.000000       0.000000 
1 1 1 12  0  45 o 120.890  20.543  144.411    39.603  144.411    39.603  144.411    39.603  120.890 20.543  120.890 20.543  0.000000       0.000000 
1 1 1 12  0  46 o 47.140   25.511  31.149     29.370  31.149     29.370  31.149     29.370  47.140  25.511  47.140  25.511  0.000000       0.000000 
1 1 1 12  0  47 o 23.972   17.088  -41.4826   31.605  -41.4826   31.605  -41.4826   31.605  23.972  17.088  23.972  17.088  0.000000       0.000000 
1 1 1 12  0  48 o 39.581   25.447  8.8245     40.247  8.8245     40.247  8.8245     40.247  39.581  25.447  39.581  25.447  0.000000       0.000000 
1 1 1 12  0  49 f 56.942   31.503  50.754     45.845  50.754     45.845  50.754     45.845  56.942  31.503  56.942  31.503  0.000000       0.000000 
1 1 1 12  0  50 o 56.816   31.626  51.631     46.518  51.631     46.518  51.631     46.518  56.816  31.626  56.816  31.626  0.000000       0.000000 
1 1 1 12  0  51 o 30.934   20.652  -4.3433    30.533  -4.3433    30.533  -4.3433    30.533  30.934  20.652  30.934  20.652  0.000000       0.000000 
1 1 1 12  0  52 o 106.592  26.634  129.361    42.886  129.361    42.886  129.361    42.886  106.592 26.634  106.592 26.634  0.000000       0.000000 
1 1 1 12  0  53 o 69.485   30.358  72.011     38.322  72.011     38.322  72.011     38.322  69.485  30.358  69.485  30.358  0.000000       0.000000 
1 1 1 12  0  54 f 80.923   31.058  92.524     41.494  92.524     41.494  92.524     41.494  80.923  31.058  80.923  31.058  0.000000       0.000000 
1 1 1 12  0  55 o 64.088   30.673  67.128     39.467  67.128     39.467  67.128     39.467  64.088  30.673  64.088  30.673  0.000000       0.000000 
1 1 1 12  0  56 o 26.562   18.580  -22.4200   32.011  -22.4200   32.011  -22.4200   32.011  26.562  18.580  26.562  18.580  0.000000       0.000000 
1 1 1 12  0  57 o 74.303   31.523  87.351     41.470  87.351     41.470  87.351     41.470  74.303  31.523  74.303  31.523  0.000000       0.000000 
1 1 1 12  1  0  o 361.460  12.824  1147.83    80.940  1162.37    114.435 1133.28    114.498 362.626 18.073  357.525 18.404  5.101624       25.79419 
1 1 1 12  1  1  o 250.335  12.353  550.362    53.995  585.011    94.534  533.586    65.781  255.755 21.365  245.617 15.416  10.13748       26.34619 
1 1 1 12  1  2  o 183.872  11.993  298.086    38.293  323.857    67.456  285.832    46.513  189.936 20.674  179.539 14.974  10.39708       25.52709 
1 1 1 12  1  3  o 446.815  16.496  1762.12    128.698 1979.25    223.608 1654.57    157.377 468.323 27.465  431.552 20.886  36.77148       34.50425 
1 1 1 12  1  4  o 368.549  14.894  1196.68    95.845  1333.82    166.790 1129.07    117.112 385.221 24.931  356.531 18.879  28.68936       31.27249 
1 1 1 12  1  5  o 217.084  12.330  415.366    46.542  447.992    81.541  399.601    56.683  223.490 21.147  212.344 15.392  11.14569       26.15574 
1 1 1 12  1  6  o 232.849  12.747  478.059    51.628  477.963    90.113  478.107    62.992  230.399 22.694  232.289 15.622  -1.890076      27.55116 
1 1 1 12  1  7  o 384.810  19.368  1317.32    129.718 1322.82    183.734 1311.85    183.165 381.921 27.741  380.308 27.775  1.612549       39.25622 
1 1 1 12  1  8  o 371.059  18.987  1224.66    122.605 1224.66    122.605 0.0000     0.0000  371.059 18.987  ?       ?       0.000000       18.98724 
1 1 1 12  1  9  o 142.990  15.333  182.445    37.685  182.445    37.685  0.0000     0.0000  142.990 15.333  ?       ?       0.000000       15.33328 
1 1 1 12  1  10 o 23.290   11.274  -23.1674   14.079  -23.1674   14.079  0.0000     0.0000  23.290  11.274  ?       ?       0.000000       11.27369 
1 1 1 12  1  11 o 170.289  16.366  258.760    48.064  307.235    69.453  214.211    66.582  184.195 22.032  152.212 25.985  31.98279       34.06808 
1 1 1 12  1  12 o 200.744  16.508  358.975    57.351  395.121    82.665  325.433    79.632  208.780 23.061  188.702 24.767  20.07854       33.84082 
1 1 1 12  1  13 o 285.648  14.177  719.851    70.711  709.937    124.108 724.617    86.042  279.301 25.738  285.354 17.351  -6.052704      31.04071 
1 1 1 12  1  14 o 697.001  20.810  4340.79    253.263 4372.48    358.126 4309.08    358.211 691.412 29.664  686.133 29.900  5.279785       42.11854 
1 1 1 12  1  15 o 370.892  13.129  1212.58    85.026  1192.37    120.344 1232.72    120.146 365.448 18.925  372.212 18.487  -6.764496      26.45560 
1 1 1 12  1  16 o 383.388  13.501  1296.87    90.376  1207.37    127.612 1386.94    128.012 367.126 19.983  394.628 18.578  -27.50165      27.28452 
1 1 1 12  1  17 o 312.807  12.499  862.347    68.269  827.864    95.919  897.748    97.187  304.411 18.128  317.239 17.614  -12.82767      25.27637 
1 1 1 12  1  18 o 137.376  15.057  169.027    35.526  179.247    59.375  163.328    44.338  138.526 25.487  133.871 19.544  4.655685       32.11771 
1 1 1 12  1  19 o 68.951   20.526  43.295     26.548  47.407     40.387  40.166     35.230  74.760  25.648  69.375  23.946  5.384720       35.08881 
1 1 1 12  1  20 o ?        ?       -125.6743  25.634  -94.2232   33.614  -169.3850  39.628  30.009  15.034  ?       ?       0.000000       15.03441 
1 1 1 12  1  21 o 43.773   20.208  -26.9956   36.087  7.8104     47.022  -76.8747   56.290  61.385  25.821  48.086  23.091  13.29872       34.63938 
1 1 1 12  1  22 o 509.637  22.406  2354.44    199.379 2354.44    199.379 0.0000     0.0000  509.637 22.406  ?       ?       0.000000       22.40554 
1 1 1 12  1  23 o 275.171  26.272  703.000    124.697 703.000    124.697 0.0000     0.0000  275.171 26.272  ?       ?       0.000000       26.27242 
1 1 1 12  1  24 o 41.092   20.087  -86.3654   47.797  -86.3654   47.797  0.0000     0.0000  41.092  20.087  ?       ?       0.000000       20.08725 
1 1 1 12  1  25 o 192.966  14.948  333.532    49.972  415.111    86.589  292.792    61.191  211.530 23.861  178.954 19.921  32.57556       31.08377 
1 1 1 12  1  26 f 410.375  16.743  1510.26    119.974 1429.18    206.109 1551.80    147.548 386.302 30.813  413.302 20.446  -26.99954      36.97936 
1 1 1 12  1  27 o 159.468  12.883  227.224    35.566  241.065    49.086  211.927    51.604  162.737 17.553  151.555 19.988  11.18266       26.60123 
1 1 1 12  1  28 o 108.786  15.028  107.745    27.784  94.102     38.103  123.235    40.600  99.262  22.504  114.435 21.096  -15.17316      30.84583 
1 1 1 12  1  29 o 109.500  14.806  109.218    27.583  74.064     37.966  148.515    40.141  87.619  24.075  126.594 18.725  -38.97502      30.49931 
1 1 1 12  1  30 o 46.190   17.994  12.812     20.903  25.069     28.420  -1.6328    30.853  57.465  21.305  46.908  20.346  10.55706       29.45935 
1 1 1 12  1  31 o 41.259   16.753  7.1430     18.861  -17.9228   27.478  29.474     25.936  38.671  17.773  58.830  20.532  -20.15892      27.15597 
1 1 1 12  1  32 o 88.979   15.477  73.530     23.172  80.976     33.271  66.515     32.292  91.493  21.235  82.733  21.981  8.760269       30.56302 
1 1 1 12  1  33 o 136.073  12.518  167.255    29.408  165.994    41.469  168.529    41.711  133.097 18.330  134.144 18.285  -1.046875      25.89064 
1 1 1 12  1  34 o 119.753  15.364  132.549    31.385  105.496    52.823  147.310    39.019  100.637 28.673  124.898 18.447  -24.26085      34.09432 
1 1 1 12  1  35 o 110.912  16.536  115.431    31.044  77.675     54.761  133.312    37.685  87.031  29.865  118.165 18.902  -31.13394      35.34422 
1 1 1 12  1  36 o 197.143  17.413  364.700    59.325  324.967    84.024  404.196    83.773  176.685 28.183  201.275 24.331  -24.58994      37.23252 
1 1 1 12  1  37 o 150.241  17.877  214.862    45.975  192.067    63.801  239.484    66.310  134.201 28.127  152.345 25.852  -18.14406      38.20307 
1 1 1 12  1  38 o 63.528   20.533  39.331     25.961  64.356     31.866  -10.0634   44.769  79.310  22.157  51.452  23.273  27.85807       32.13335 
1 1 1 12  1  39 o 112.689  13.738  118.497    26.471  135.509    38.840  103.742    36.174  116.913 19.728  101.080 21.174  15.83243       28.94038 
1 1 1 12  1  40 o 80.699   17.129  64.167     23.389  85.363     35.618  48.100     31.011  89.982  22.678  68.455  22.461  21.52642       31.91873 
1 1 1 12  1  41 o 62.830   18.675  39.854     21.989  35.072     33.027  43.661     29.471  61.039  22.900  65.262  21.913  -4.223129      31.69497 
1 1 1 12  1  42 o 112.470  14.826  121.512    28.406  155.191    41.699  92.353     38.801  122.963 20.118  91.221  24.027  31.74136       31.33693 
1 1 1 12  1  43 o 113.422  14.247  123.592    27.593  125.413    40.542  122.021    37.661  107.619 22.308  107.476 20.821  0.1433182      30.51466 
1 1 1 12  1  44 o 27.319   13.136  -23.1332   18.359  -4.8321    27.797  -37.2925   24.450  40.713  18.384  29.698  14.484  11.01496       23.40455 
1 1 1 12  1  45 o 45.938   18.112  16.958     21.394  45.305     32.458  -4.8183    28.449  63.638  22.897  40.791  18.492  22.84676       29.43183 
1 1 1 12  1  46 o 31.993   14.821  -10.7290   19.664  -7.6857    30.261  -12.9533   25.871  40.672  18.677  36.263  16.868  4.409637       25.16692 
1 1 1 12  1  47 o 81.996   23.431  82.520     35.221  75.145     48.343  90.862     51.418  73.014  27.637  78.572  28.736  -5.557617      39.86948 
1 1 1 12  1  48 o 59.940   21.638  42.578     29.015  29.879     36.991  62.886     46.778  54.538  22.919  66.993  26.664  -12.45517      35.16069 
1 1 1 12  1  49 o 108.200  22.384  142.168    40.894  160.617    56.462  121.813    59.308  101.688 29.846  82.927  30.770  18.76109       42.86738 
1 1 1 12  1  50 o 36.497   16.502  -0.8985    22.479  20.659     38.704  -11.8729   27.615  50.018  22.202  36.341  17.074  13.67633       28.00765 
1 1 1 12  1  51 o 72.711   19.791  64.637     25.799  64.564     37.720  64.701     35.364  65.722  24.509  66.786  23.913  -1.064079      34.24238 
1 1 1 12  1  52 o 41.100   17.292  13.711     21.095  31.327     28.824  -6.6075    30.957  50.857  20.688  38.559  18.103  12.29759       27.49016 
1 1 1 12  1  53 o 49.827   19.038  30.543     23.076  21.047     34.905  37.916     30.757  46.800  20.909  52.839  21.415  -6.038292      29.92951 
1 1 1 12  1  54 o 97.904   17.200  112.215    28.330  116.241    43.561  109.264    37.295  81.011  26.623  84.674  24.081  -3.663147      35.89827 
1 1 1 12  1  55 o 99.151   17.214  117.431    28.721  112.053    43.349  121.638    38.345  76.570  26.555  88.037  24.197  -11.46634      35.92523 
1 1 1 12  1  56 o 41.891   17.705  19.843     22.278  -0.4155    34.836  33.860     28.977  38.749  18.487  48.019  20.238  -9.270603      27.41051 
1 1 1 12  1  57 o 44.251   18.317  26.544     23.106  -4.3065    36.322  47.515     29.947  37.550  18.160  52.377  21.165  -14.82748      27.88787 
1 1 1 12  2  0  o 409.137  19.930  1484.61    142.375 0.0000     0.0000  1484.61    142.375 ?       ?       409.137 19.930  0.000000       19.92984 
1 1 1 12  2  1  f 292.118  13.683  750.665    69.791  730.992    121.030 760.466    85.424  284.905 24.569  293.003 16.767  -8.097473      29.74541 
1 1 1 12  2  2  o 371.311  18.943  1224.59    122.404 1213.80    173.055 1235.40    173.156 366.358 27.248  369.729 27.009  -3.371460      38.36583 
1 1 1 12  2  3  o 525.806  19.118  2450.97    175.520 2442.71    214.957 2467.49    304.038 522.870 23.545  518.344 33.777  4.525574       41.17366 
1 1 1 12  2  4  o 361.478  14.810  1151.56    93.477  1113.86    114.407 1227.26    162.131 354.102 18.568  369.071 25.312  -14.96878      31.39236 
1 1 1 12  2  5  o 203.741  11.975  365.927    42.413  424.985    75.307  338.491    51.328  217.847 20.022  195.346 15.167  22.50026       25.11831 
1 1 1 12  2  6  o 266.812  12.390  625.804    57.721  672.623    102.139 603.836    69.964  273.927 21.528  261.156 15.411  12.77100       26.47592 
1 1 1 12  2  7  o 99.145   13.683  88.148     23.055  90.569     46.920  87.378     26.472  98.577  26.631  98.246  15.981  0.3313675      31.05743 
1 1 1 12  2  8  o 250.797  13.079  555.053    57.076  551.376    100.329 556.812    69.400  247.053 23.543  250.549 15.947  -3.496857      28.43534 
1 1 1 12  2  9  o 200.890  11.118  355.515    38.847  336.213    55.392  374.197    54.496  194.290 16.483  205.311 15.312  -11.02086      22.49789 
1 1 1 12  2  10 o 309.774  14.059  846.067    76.046  909.634    93.480  721.692    130.759 320.115 16.783  281.293 26.953  38.82208       31.75064 
1 1 1 12  2  11 o 520.037  18.960  2404.87    172.162 2474.37    211.039 2266.59    297.676 525.239 23.011  493.354 34.779  31.88519       41.70224 
1 1 1 12  2  12 o 154.766  12.704  212.292    34.028  202.869    42.130  229.976    57.715  150.535 16.288  159.080 21.314  -8.544800      26.82539 
1 1 1 12  2  13 o 115.831  14.911  120.445    29.458  113.993    35.587  134.490    52.502  111.718 18.919  119.788 25.859  -8.070015      32.04067 
1 1 1 12  2  14 o 58.106   19.467  28.458     23.258  34.031     27.326  13.806     44.309  63.239  21.100  62.234  25.520  1.004337       33.11365 
1 1 1 12  2  15 o 101.591  14.445  92.968     24.901  110.922    34.194  72.694     36.336  110.220 18.417  88.258  23.253  21.96198       29.66311 
1 1 1 12  2  16 o 165.600  11.675  242.590    33.541  209.531    46.226  279.348    48.743  152.497 17.689  176.811 15.961  -24.31427      23.82517 
1 1 1 12  2  17 o 317.328  14.460  890.902    80.118  873.183    97.774  927.113    139.772 312.542 17.993  318.501 25.343  -5.959869      31.08029 
1 1 1 12  2  18 o 168.553  13.693  252.729    39.952  275.008    48.134  203.386    71.631  175.325 15.896  146.328 29.061  28.99782       33.12402 
1 1 1 12  2  19 o 94.474   18.825  82.495     29.963  33.748     35.667  199.398    55.234  66.133  23.972  147.150 22.186  -81.01740      32.66335 
1 1 1 12  2  20 o 287.060  14.091  729.887    70.626  524.781    86.024  1154.02    123.704 240.628 20.675  357.923 19.872  -117.2947      28.67698 
1 1 1 12  2  21 o 454.854  17.269  1847.78    137.151 1786.66    167.319 1972.94    239.439 444.486 21.559  458.892 30.049  -14.40518      36.98256 
1 1 1 12  2  22 o ?        ?       -107.0929  17.270  -102.3012  23.277  -112.9608  25.758  ?       ?       ?       ?       0.000000       ?        
1 1 1 12  2  23 o 100.993  18.603  94.346     31.597  39.776     55.017  121.203    38.597  75.996  29.306  114.352 20.062  -38.35522      35.51564 
1 1 1 12  2  24 o 429.799  16.908  1654.87    126.887 1630.54    218.593 1667.23    155.828 414.146 30.442  428.593 20.823  -14.44681      36.88238 
1 1 1 12  2  25 o 142.937  14.908  184.063    36.660  189.827    64.526  181.315    44.548  140.471 27.291  140.671 18.592  -0.2006226     33.02257 
1 1 1 12  2  26 o 199.710  13.758  356.635    47.682  438.270    84.168  318.053    57.863  217.427 22.496  186.989 17.943  30.43776       28.77478 
1 1 1 12  2  27 o 66.688   22.194  39.500     30.239  23.650     43.377  54.487     42.177  64.317  25.652  77.652  26.213  -13.33481      36.67669 
1 1 1 12  2  28 o 100.318  18.446  93.995     31.120  78.951     35.922  139.250    62.304  90.614  22.740  117.834 30.156  -27.22012      37.76936 
1 1 1 12  2  29 o 192.652  14.200  334.198    47.429  329.627    57.224  344.228    84.766  189.866 17.457  188.827 26.434  1.038696       31.67817 
1 1 1 12  2  30 o 99.548   19.726  94.031     33.076  96.317     38.453  87.529     64.851  99.719  22.606  94.433  32.495  5.285774       39.58475 
1 1 1 12  2  31 o 166.356  12.234  248.437    35.288  244.153    49.389  252.904    50.436  162.523 17.690  165.413 17.740  -2.889999      25.05239 
1 1 1 12  2  32 o 179.200  12.525  289.077    38.942  304.884    54.576  272.683    55.583  181.560 17.430  170.758 18.962  10.80289       25.75600 
1 1 1 12  2  33 o 152.616  15.204  213.842    39.975  208.888    74.141  215.873    47.465  140.731 31.009  151.736 18.284  -11.00455      35.99771 
1 1 1 12  2  34 f 212.788  14.140  412.875    52.236  384.918    91.878  426.228    63.497  194.177 27.900  214.121 17.127  -19.94400      32.73777 
1 1 1 12  2  35 f 75.301   21.850  56.332     30.415  82.701     57.956  46.309     35.730  88.615  30.706  69.777  24.114  18.83834       39.04245 
1 1 1 12  2  36 o 63.678   23.879  34.957     35.902  -4.8240    50.567  75.395     50.982  56.244  25.144  84.586  28.819  -28.34191      38.24582 
1 1 1 12  2  37 o 90.449   20.703  82.122     31.991  94.630     38.859  55.814     56.355  95.657  23.447  76.350  29.599  19.30791       37.76098 
1 1 1 12  2  38 o 88.070   20.896  78.833     31.650  60.409     39.508  111.839    52.879  75.998  25.372  99.649  28.780  -23.65096      38.36694 
1 1 1 12  2  39 o 37.841   16.470  -0.1975    20.355  27.097     32.847  -17.2134   25.935  57.727  22.537  36.503  16.950  21.22349       28.19920 
1 1 1 12  2  40 o 108.013  15.095  111.570    27.691  97.326     42.009  122.515    36.823  93.849  25.133  109.961 19.911  -16.11193      32.06482 
1 1 1 12  2  41 o 99.641   15.753  96.580     26.496  119.268    39.597  78.187     35.653  106.071 22.097  84.458  23.380  21.61283       32.17028 
1 1 1 12  2  42 o 70.129   19.403  51.549     24.561  51.324     35.791  51.750     33.766  68.513  24.108  68.816  23.453  -0.3029861     33.63393 
1 1 1 12  2  43 o 123.669  13.677  146.409    29.039  157.603    41.948  136.107    40.241  122.315 20.357  112.679 21.232  9.635735       29.41424 
1 1 1 12  2  44 o 81.505   17.970  69.353     24.885  60.944     37.264  76.122     33.433  71.665  24.633  81.561  22.663  -9.896088      33.47254 
1 1 1 12  2  45 o 86.281   18.138  78.697     26.458  127.484    38.649  35.666     36.297  106.979 21.437  58.727  23.452  48.25231       31.77361 
1 1 1 12  2  46 o 111.573  18.496  132.855    34.771  130.529    43.354  137.050    58.214  103.584 24.376  95.578  30.732  8.005806       39.22568 
1 1 1 12  2  47 o 69.672   23.340  61.138     33.436  73.695     45.867  46.898     48.844  72.010  26.992  61.827  26.178  10.18259       37.60136 
1 1 1 12  2  48 o 43.313   19.133  7.5378     28.404  32.332     38.604  -21.7300   41.942  55.056  23.290  42.150  20.158  12.90614       30.80182 
1 1 1 12  2  49 o 32.074   15.428  -23.8478   25.375  -24.4442   34.278  -23.1249   37.741  37.434  17.987  39.432  18.928  -1.998501      26.11129 
1 1 1 12  2  50 o 63.897   20.501  51.314     25.916  31.914     44.479  61.286     31.889  53.517  23.776  67.049  22.792  -13.53194      32.93576 
1 1 1 12  2  51 o 38.343   16.801  6.8832     21.502  15.370     30.941  -1.0436    29.902  45.174  19.961  39.728  18.360  5.445908       27.12028 
1 1 1 12  2  52 o 35.999   16.049  3.5478     20.452  23.847     30.742  -12.5697   27.393  47.415  20.438  34.995  16.610  12.41986       26.33595 
1 1 1 12  2  53 o 40.644   17.569  13.203     22.850  13.362     32.812  13.055     31.839  43.558  19.791  43.222  19.581  0.3365173      27.84062 
1 1 1 12  2  54 o 31.069   14.497  -6.0614    19.342  -9.8546    25.013  -0.4203    30.503  33.482  15.886  38.387  18.006  -4.905411      24.01192 
1 1 1 12  2  55 f 38.615   16.637  13.077     20.353  39.739     26.852  -22.9248   31.203  51.642  20.313  33.370  16.295  18.27252       26.04114 
1 1 1 12  2  56 o 32.445   14.748  1.9835     18.245  0.4201     24.537  3.9169     27.286  34.980  16.323  37.002  17.249  -2.022434      23.74842 
1 1 1 12  2  57 o 39.889   16.770  18.781     19.817  12.254     27.419  25.919     28.673  38.633  17.755  43.193  19.144  -4.560848      26.10988 
1 1 1 12  3  0  o 106.834  16.091  102.926    29.084  0.0000     0.0000  102.926    29.084  ?       ?       106.834 16.091  0.000000       16.09054 
1 1 1 12  3  1  o 222.460  15.741  438.868    60.750  0.0000     0.0000  438.868    60.750  ?       ?       222.460 15.741  0.000000       15.74140 
1 1 1 12  3  2  o ?        ?       -46.5223   7.4207  -10.2668   12.381  -66.8473   9.2703  25.523  11.802  ?       ?       0.000000       11.80155 
1 1 1 12  3  3  o 333.636  14.601  981.273    85.058  885.323    147.463 1029.11    104.126 312.088 27.337  340.503 17.573  -28.41495      32.49798 
1 1 1 12  3  4  o 420.167  14.242  1555.86    104.486 1566.36    147.952 1545.42    147.579 419.598 20.194  416.749 20.281  2.849091       28.62023 
1 1 1 12  3  5  o 376.116  13.433  1245.67    88.215  1230.93    124.769 1260.41    124.742 371.730 19.289  376.256 19.050  -4.526184      27.11004 
1 1 1 12  3  6  o 236.378  11.229  490.813    46.346  477.191    65.494  504.476    65.593  231.743 16.289  238.417 15.847  -6.673019      22.72566 
1 1 1 12  3  7  f 187.809  11.057  310.883    36.100  303.587    50.341  318.608    51.798  184.682 15.762  189.213 15.823  -4.531326      22.33431 
1 1 1 12  3  8  o 184.038  11.112  298.641    35.541  284.342    49.485  313.874    51.078  178.599 16.039  187.785 15.723  -9.185867      22.46021 
1 1 1 12  3  9  o 317.883  12.229  889.195    67.879  767.896    95.384  1013.65    96.618  293.300 18.723  338.354 16.354  -45.05472      24.85959 
1 1 1 12  3  10 o 178.799  11.226  282.104    34.870  271.690    48.601  293.153    50.057  174.460 16.137  181.312 15.975  -6.852066      22.70718 
1 1 1 12  3  11 o 168.183  13.218  250.863    38.504  240.812    47.709  269.638    65.206  163.939 16.910  172.062 22.223  -8.122925      27.92537 
1 1 1 12  3  12 o 115.930  14.370  120.488    28.464  140.440    35.931  86.869     46.641  124.712 16.939  96.271  26.774  28.44102       31.68222 
1 1 1 12  3  13 o 129.370  14.265  149.630    31.686  131.665    39.955  180.080    52.018  119.934 19.768  140.055 21.996  -20.12033      29.57372 
1 1 1 12  3  14 o 263.398  17.047  619.127    77.983  619.127    77.983  0.0000     0.0000  263.398 17.047  ?       ?       0.000000       17.04744 
1 1 1 12  3  15 o 104.004  16.635  98.391     29.191  108.507    35.317  76.577     51.860  108.661 19.322  91.420  28.966  17.24043       34.81891 
1 1 1 12  3  16 o ?        ?       -261.7657  11.995  -222.7161  14.330  -353.1700  21.925  ?       ?       ?       ?       0.000000       ?        
1 1 1 12  3  17 o ?        ?       -153.0796  15.400  -205.1695  17.911  -5.3963    30.158  ?       ?       45.593  19.940  0.000000       19.94008 
1 1 1 12  3  18 o 467.481  17.096  1949.06    139.549 1577.65    170.400 2705.47    243.175 416.085 23.551  543.674 25.616  -127.5890      34.79720 
1 1 1 12  3  19 o 310.884  14.810  858.100    80.393  997.333    98.303  576.919    139.697 333.913 16.916  244.963 33.542  88.94983       37.56559 
1 1 1 12  3  20 o ?        ?       -210.4823  11.291  -210.4823  11.291  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 12  3  21 o 140.681  14.345  177.553    34.745  183.750    49.893  171.718    48.414  141.113 20.879  136.280 21.022  4.833298       29.62885 
1 1 1 12  3  22 o 25.428   12.502  -39.6253   19.349  -48.9398   29.117  -32.2602   25.892  32.974  16.020  33.641  16.019  -0.6677017     22.65498 
1 1 1 12  3  23 o 245.609  11.829  533.763    50.731  555.679    71.331  511.332    72.165  248.524 16.532  237.936 17.493  10.58745       24.06881 
1 1 1 12  3  24 o 152.513  14.524  209.214    38.211  179.345    63.947  225.801    47.654  135.949 27.875  157.439 17.638  -21.48997      32.98651 
1 1 1 12  3  25 o 103.427  16.768  98.480     29.245  102.138    46.274  96.048     37.737  102.556 25.850  100.455 22.113  2.100578       34.01761 
1 1 1 12  3  26 o 190.732  13.594  326.041    44.976  298.100    76.545  340.775    55.584  176.721 25.548  193.811 16.585  -17.09052      30.45913 
1 1 1 12  3  27 o 239.743  13.606  515.122    56.721  494.863    96.020  525.981    70.296  228.565 24.438  240.631 16.837  -12.06622      29.67685 
1 1 1 12  3  28 o 112.630  13.529  115.034    26.075  123.475    37.550  107.174    36.235  114.622 19.458  106.314 20.260  8.308403       28.09008 
1 1 1 12  3  29 o 67.436   19.114  43.064     23.537  45.858     35.799  40.938     31.237  70.970  24.149  67.181  22.560  3.788658       33.04744 
1 1 1 12  3  30 o 141.137  14.192  181.221    34.500  208.999    56.074  164.301    43.763  147.505 22.483  131.964 19.587  15.54077       29.81828 
1 1 1 12  3  31 o 216.206  16.701  430.420    62.558  0.0000     0.0000  430.420    62.558  ?       ?       216.206 16.701  0.000000       16.70071 
1 1 1 12  3  32 o 122.521  15.913  139.370    33.239  127.953    60.129  144.394    39.887  109.605 30.371  123.167 19.171  -13.56177      35.91497 
1 1 1 12  3  33 o 71.023   23.104  48.892     32.838  81.589     55.613  31.390     40.688  88.539  30.099  64.290  25.088  24.24942       39.18367 
1 1 1 12  3  34 o 52.235   21.670  12.269     32.446  17.734     46.949  7.2719     44.891  61.323  25.798  57.047  24.643  4.275368       35.67645 
1 1 1 12  3  35 f 51.776   20.688  16.983     28.261  16.983     28.261  0.0000     0.0000  51.776  20.688  ?       ?       0.000000       20.68751 
1 1 1 12  3  36 o 47.386   20.018  7.4584     28.457  7.4584     28.457  0.0000     0.0000  47.386  20.018  ?       ?       0.000000       20.01767 
1 1 1 12  3  37 o 133.370  15.757  168.617    35.986  138.710    42.797  240.791    66.485  116.780 21.790  150.185 26.312  -33.40572      34.16325 
1 1 1 12  3  38 o 50.759   20.101  18.413     26.461  34.980     29.611  -47.2618   58.957  60.692  21.866  50.340  24.026  10.35287       32.48660 
1 1 1 12  3  39 o 154.042  13.326  221.743    35.489  192.115    49.279  253.664    51.151  136.672 21.348  160.021 18.657  -23.34918      28.35198 
1 1 1 12  3  40 o 59.616   20.181  35.752     25.000  46.191     34.341  23.981     36.465  66.342  23.585  56.535  23.164  9.807011       33.05756 
1 1 1 12  3  41 o 231.337  13.010  502.735    52.337  464.744    73.725  541.330    74.310  212.350 20.124  231.957 18.501  -19.60710      27.33637 
1 1 1 12  3  42 o 89.602   19.637  84.976     29.874  112.799    43.440  60.007     41.151  98.073  25.224  71.501  25.775  26.57214       36.06400 
1 1 1 12  3  43 o 84.562   18.832  75.831     27.092  84.339     38.324  67.333     38.305  83.914  24.578  74.612  24.982  9.301300       35.04547 
1 1 1 12  3  44 o 63.229   20.089  44.300     24.933  21.757     35.159  67.105     35.362  52.785  22.272  74.320  23.958  -21.53510      32.71117 
1 1 1 12  3  45 f 52.070   20.395  26.614     26.968  15.894     34.238  44.135     43.771  49.690  21.493  61.688  25.339  -11.99828      33.22630 
1 1 1 12  3  46 o 82.212   21.334  79.745     30.889  70.704     38.880  95.217     50.861  72.678  25.152  79.170  28.637  -6.492065      38.11446 
1 1 1 12  3  47 o 93.089   24.495  112.852    40.353  77.358     55.325  153.201    58.987  69.328  28.483  96.689  30.919  -27.36084      42.03895 
1 1 1 12  3  48 o 44.988   19.509  13.764     28.356  30.192     38.261  -6.2543    42.235  53.225  22.870  44.592  21.001  8.633671       31.04986 
1 1 1 12  3  49 o 63.313   20.829  51.061     26.661  34.792     43.650  60.741     33.672  54.187  23.836  65.844  23.360  -11.65705      33.37432 
1 1 1 12  3  50 o 34.507   15.569  -0.1861    19.885  1.2520     29.053  -1.4535    27.275  39.974  18.336  38.332  17.650  1.641701       25.45092 
1 1 1 12  3  51 o 38.982   16.954  9.3966     21.541  -13.5699   31.011  30.811     29.944  36.633  17.468  50.097  20.803  -13.46395      27.16438 
1 1 1 12  3  52 o 31.603   14.868  -9.2101    21.060  -10.3596   29.572  -8.0272    29.998  36.167  17.193  36.910  17.479  -0.7425308     24.51736 
1 1 1 12  3  53 o 37.856   16.427  10.370     20.128  10.583     26.276  10.069     31.314  40.118  18.016  41.433  19.017  -1.314674      26.19568 
1 1 1 12  3  54 o 38.105   16.555  11.848     20.491  3.5013     26.964  23.258     31.527  37.468  17.357  44.579  19.897  -7.111221      26.40345 
1 1 1 12  3  55 o 55.865   19.349  45.772     23.011  31.350     30.558  64.661     34.972  46.242  20.152  58.217  23.092  -11.97548      30.64857 
1 1 1 12  3  56 o 43.791   17.927  26.413     21.819  2.6144     28.747  58.759     33.513  36.395  17.197  54.661  22.279  -18.26587      28.14438 
1 1 1 12  4  0  o 384.710  15.712  1307.63    105.541 1368.14    183.745 1277.83    128.931 388.043 27.293  378.589 19.571  9.453125       33.58449 
1 1 1 12  4  1  o 114.175  14.555  116.799    28.356  177.690    55.076  94.837     33.077  139.008 23.531  101.682 19.337  37.32555       30.45693 
1 1 1 12  4  2  o 239.725  13.344  507.753    55.635  495.428    98.096  513.597    67.550  233.575 24.413  240.439 16.184  -6.863815      29.29076 
1 1 1 12  4  3  o 227.863  10.937  456.090    43.513  433.539    61.476  478.730    61.597  220.820 16.054  232.292 15.272  -11.47258      22.15768 
1 1 1 12  4  4  o 166.984  10.451  245.778    30.318  215.471    42.104  278.413    43.691  155.324 15.742  177.079 14.251  -21.75424      21.23481 
1 1 1 12  4  5  o 253.753  11.219  565.972    49.708  529.018    69.835  603.923    70.771  243.842 16.499  260.853 15.610  -17.01091      22.71328 
1 1 1 12  4  6  o 91.960   14.483  76.435     22.486  103.192    31.263  47.757     32.365  106.518 17.411  73.072  22.846  33.44510       28.72362 
1 1 1 12  4  7  o 75.334   15.922  52.106     20.288  61.094     28.520  42.898     28.865  81.152  20.205  69.282  21.561  11.86936       29.54891 
1 1 1 12  4  8  o 341.082  14.802  1028.67    88.156  964.536    107.801 1158.14    153.168 328.475 18.875  357.141 24.714  -28.66559      31.09749 
1 1 1 12  4  9  o 269.764  13.708  644.115    64.358  627.677    78.042  679.055    113.780 265.342 16.933  273.209 24.098  -7.866486      29.45228 
1 1 1 12  4  10 o 176.410  13.054  276.018    39.923  273.015    49.335  281.716    67.956  174.665 16.367  175.536 22.704  -0.8710175     27.98839 
1 1 1 12  4  11 o ?        ?       -179.9922  7.7036  -262.0007  15.480  -152.9988  8.8814  ?       ?       ?       ?       0.000000       ?        
1 1 1 12  4  12 o 129.942  18.406  153.490    40.594  153.490    40.594  0.0000     0.0000  129.942 18.406  ?       ?       0.000000       18.40639 
1 1 1 12  4  13 o 285.987  17.411  731.474    86.526  731.474    86.526  0.0000     0.0000  285.987 17.411  ?       ?       0.000000       17.41052 
1 1 1 12  4  14 o 560.983  21.905  2841.92    214.567 2841.92    214.567 0.0000     0.0000  560.983 21.905  ?       ?       0.000000       21.90535 
1 1 1 12  4  15 o 468.654  16.742  1957.64    136.998 2148.78    168.477 1584.57    235.372 489.056 19.730  408.438 33.294  80.61786       38.70039 
1 1 1 12  4  16 o ?        ?       -351.5461  12.503  -323.0008  14.285  -445.0210  25.850  ?       ?       ?       ?       0.000000       ?        
1 1 1 12  4  17 o 59.588   19.812  30.594     24.097  10.600     37.351  44.850     31.539  56.508  23.331  70.690  22.609  -14.18219      32.48829 
1 1 1 12  4  18 o 50.634   18.286  19.522     20.726  17.024     32.412  21.250     26.959  56.176  22.247  55.163  20.691  1.012802       30.38122 
1 1 1 12  4  19 o 42.481   17.170  7.4820     19.712  2.2023     31.978  10.718     25.035  49.591  21.097  48.312  19.411  1.279125       28.66849 
1 1 1 12  4  20 o 163.802  12.107  238.758    34.381  259.753    51.263  221.595    46.351  169.172 17.613  156.238 17.280  12.93488       24.67404 
1 1 1 12  4  21 o 85.187   16.061  66.983     23.014  58.943     34.947  73.140     30.581  79.209  23.543  88.062  20.304  -8.853302      31.08875 
1 1 1 12  4  22 o 66.734   17.274  41.602     20.285  58.730     29.853  26.910     27.649  78.773  21.226  58.440  21.118  20.33304       29.94164 
1 1 1 12  4  23 o 144.697  12.448  187.320    31.143  192.188    42.971  181.935    45.199  144.986 17.317  140.412 18.917  4.573380       25.64638 
1 1 1 12  4  24 o 64.258   20.453  37.596     25.835  41.770     40.293  34.682     33.667  70.678  25.501  64.902  23.322  5.775925       34.55764 
1 1 1 12  4  25 o 179.464  13.769  289.769    42.817  312.631    70.791  276.582    53.766  181.990 22.776  173.504 18.010  8.486084       29.03646 
1 1 1 12  4  26 o 67.035   19.310  42.375     23.832  30.799     36.001  51.405     31.796  63.513  23.893  73.635  22.582  -10.12220      32.87572 
1 1 1 12  4  27 o 88.742   17.076  73.953     25.498  44.257     40.278  93.813     32.939  71.175  25.517  99.244  19.703  -28.06880      32.23857 
1 1 1 12  4  28 o 207.219  13.785  388.279    49.594  376.287    88.339  393.798    59.929  195.265 26.602  207.035 16.721  -11.77003      31.42062 
1 1 1 12  4  29 o 131.924  19.871  165.543    44.353  161.888    67.814  168.275    58.632  123.396 31.397  128.876 26.923  -5.480797      41.36034 
1 1 1 12  4  30 o 137.095  15.575  173.733    36.622  89.617     65.762  211.547    44.092  92.750  32.673  150.633 17.065  -57.88259      36.86135 
1 1 1 12  4  31 o 185.594  14.139  315.089    45.473  302.551    80.478  320.969    55.114  171.369 27.852  185.321 17.230  -13.95230      32.75063 
1 1 1 12  4  32 o 158.002  14.120  229.576    38.544  246.258    70.409  222.437    46.058  154.021 27.174  153.477 17.500  0.5436096      32.32188 
1 1 1 12  4  33 o 50.660   18.079  21.941     20.197  30.315     28.441  13.423     28.685  58.821  21.393  50.349  20.577  8.472309       29.68319 
1 1 1 12  4  34 o 49.548   18.292  20.067     20.906  1.5875     31.113  35.279     28.229  46.816  20.369  61.330  21.420  -14.51441      29.55848 
1 1 1 12  4  35 o 39.716   17.460  -1.9989    23.388  1.8736     29.270  -8.8378    38.897  45.490  19.774  48.103  21.732  -2.613037      29.38158 
1 1 1 12  4  36 o 143.295  18.383  201.089    44.934  260.427    61.800  134.535    65.449  158.797 22.955  104.452 32.460  54.34572       39.75629 
1 1 1 12  4  37 o 95.083   21.646  94.688     35.131  126.071    51.331  67.035     48.184  104.737 27.659  77.386  27.892  27.35041       39.28030 
1 1 1 12  4  38 o 69.963   21.351  51.802     28.465  32.042     35.618  86.730     47.356  59.785  23.433  85.603  27.738  -25.81769      36.31134 
1 1 1 12  4  39 o 66.224   23.200  47.001     33.128  39.815     46.185  54.616     47.546  64.541  26.213  70.329  27.209  -5.787086      37.78189 
1 1 1 12  4  40 o 45.063   19.129  9.1731     26.190  9.9648     33.039  7.8347     42.960  48.916  21.136  52.563  23.358  -3.647217      31.50135 
1 1 1 12  4  41 o 96.274   19.764  98.858     32.111  75.295     39.839  142.551    54.251  78.688  25.436  105.293 28.715  -26.60450      38.36103 
1 1 1 12  4  42 o 44.622   17.872  15.162     21.146  4.9711     27.917  28.879     32.389  43.619  19.128  55.178  22.111  -11.55878      29.23690 
1 1 1 12  4  43 o 77.009   19.551  65.750     26.336  63.566     31.569  70.747     47.759  73.021  22.519  72.148  27.431  0.8728409      35.49068 
1 1 1 12  4  44 o 56.677   20.205  35.774     25.221  27.131     30.746  53.554     44.099  52.723  21.396  64.496  25.817  -11.77309      33.53043 
1 1 1 12  4  45 o 129.518  16.015  174.363    35.446  137.316    43.299  249.637    61.719  104.403 24.221  137.947 26.588  -33.54372      35.96621 
1 1 1 12  4  46 o 40.803   17.877  6.9211     24.334  -5.9438    30.309  30.255     40.819  39.737  18.406  54.006  23.414  -14.26948      29.78222 
1 1 1 12  4  47 f 74.087   24.051  76.643     35.592  89.781     51.159  64.318     49.550  72.083  28.130  63.626  26.619  8.456276       38.72851 
1 1 1 12  4  48 o 61.370   21.881  50.642     29.578  60.456     47.251  44.319     37.928  61.289  25.837  56.760  23.479  4.529053       34.91162 
1 1 1 12  4  49 o 53.365   20.307  36.302     26.188  43.639     46.386  32.869     31.728  54.996  24.364  51.441  21.392  3.554390       32.42231 
1 1 1 12  4  50 o 44.115   18.146  20.224     22.488  23.221     30.206  16.497     33.682  46.692  20.192  45.085  20.309  1.607105       28.63841 
1 1 1 12  4  51 o 34.873   15.944  0.2504     21.719  -4.2174    28.532  6.4064     33.491  36.940  17.355  41.476  19.260  -4.536026      25.92543 
1 1 1 12  4  52 o 78.233   18.539  77.589     24.936  47.688     34.502  110.290    36.081  53.840  22.342  84.586  23.557  -30.74658      32.46704 
1 1 1 12  4  53 o 35.806   16.160  5.8806     21.446  9.7856     27.349  -0.3545    34.558  39.183  17.905  38.698  18.449  0.4847298      25.70898 
1 1 1 12  4  54 o 57.272   19.673  49.539     23.766  45.476     30.784  55.533     37.390  51.248  21.172  52.819  22.649  -1.570786      31.00370 
1 1 1 12  5  0  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 12  5  1  x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 12  5  2  o ?        ?       -133.2269  8.6671  0.0000     0.0000  -133.2269  8.6671  ?       ?       ?       ?       0.000000       ?        
1 1 1 12  5  3  o 21.449   10.833  -64.6717   19.429  0.0000     0.0000  -64.6717   19.429  ?       ?       21.449  10.833  0.000000       10.83340 
1 1 1 12  5  4  o 301.646  14.024  804.147    73.863  874.523    91.641  673.659    124.786 313.312 16.813  270.651 26.756  42.66129       31.59969 
1 1 1 12  5  5  o 333.875  17.896  995.821    103.949 1139.05    148.507 858.243    145.550 353.906 24.177  305.104 27.621  48.80145       36.70747 
1 1 1 12  5  6  o 469.817  16.324  1960.82    133.908 2243.88    164.610 1407.02    230.246 501.171 18.811  385.389 34.584  115.7823       39.36897 
1 1 1 12  5  7  o 461.192  15.956  1888.92    128.486 2297.88    158.054 1092.06    220.627 507.603 17.833  335.877 38.305  171.7259       42.25243 
1 1 1 12  5  8  o 517.079  23.920  2427.40    215.962 2427.40    215.962 0.0000     0.0000  517.079 23.920  ?       ?       0.000000       23.91986 
1 1 1 12  5  9  f 245.848  11.160  532.408    47.905  628.504    70.152  448.446    65.574  265.700 15.184  223.749 16.909  41.95026       22.72627 
1 1 1 12  5  10 o ?        ?       -726.6174  17.883  0.0000     0.0000  -726.6174  17.883  ?       ?       ?       ?       0.000000       ?        
1 1 1 12  5  11 o ?        ?       -487.5472  10.197  -487.5472  10.197  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 12  5  12 o 219.964  13.355  429.965    51.051  440.927    62.767  408.539    87.749  221.811 16.321  210.171 24.363  11.63988       29.32492 
1 1 1 12  5  13 o 26.579   12.551  -17.2167   15.268  0.1941     17.948  -62.7971   29.041  36.988  15.772  30.521  15.065  6.466612       21.81067 
1 1 1 12  5  14 o 47.274   18.336  13.223     21.634  7.4449     25.519  27.986     40.791  47.091  19.346  65.379  25.228  -18.28734      31.79169 
1 1 1 12  5  15 o 83.144   18.637  64.580     26.387  83.436     31.681  21.876     47.677  94.436  19.844  66.164  26.716  28.27176       33.27972 
1 1 1 12  5  16 o 292.420  12.176  757.133    62.170  800.084    88.117  714.558    87.729  298.186 16.995  281.260 17.957  16.92603       24.72425 
1 1 1 12  5  17 o 323.625  12.680  929.162    71.649  936.212    101.366 922.123    101.287 321.735 18.118  319.219 18.248  2.516052       25.71437 
1 1 1 12  5  18 o 158.715  11.638  224.221    32.028  237.721    45.458  210.913    45.133  162.002 16.291  152.151 17.296  9.850754       23.76035 
1 1 1 12  5  19 o 225.065  11.608  450.062    45.462  442.211    65.291  457.450    63.339  220.881 17.061  225.066 16.226  -4.185287      23.54542 
1 1 1 12  5  20 o 204.928  11.466  373.497    40.864  389.823    58.473  357.912    57.132  207.477 16.271  198.596 16.629  8.880890       23.26521 
1 1 1 12  5  21 o 165.313  11.541  243.751    33.103  259.853    48.936  230.167    44.949  168.759 16.832  158.898 16.438  9.860809       23.52714 
1 1 1 12  5  22 o 96.227   14.499  84.831     23.606  119.150    35.516  57.671     31.594  112.889 18.671  77.599  22.198  35.28912       29.00575 
1 1 1 12  5  23 o 71.484   19.720  48.656     25.415  55.269     31.985  37.328     41.862  75.952  22.511  68.643  25.776  7.308922       34.22186 
1 1 1 12  5  24 o 55.176   23.606  5.0009     40.449  0.0000     0.0000  5.0009     40.449  ?       ?       55.176  23.606  0.000000       23.60588 
1 1 1 12  5  25 o 145.791  16.506  196.174    41.278  0.0000     0.0000  196.174    41.278  ?       ?       145.791 16.506  0.000000       16.50603 
1 1 1 12  5  26 o 167.803  26.094  280.148    73.972  0.0000     0.0000  280.148    73.972  ?       ?       167.803 26.094  0.000000       26.09450 
1 1 1 12  5  27 o 121.977  18.754  141.300    38.663  118.745    54.615  163.959    54.740  106.357 28.731  127.580 25.465  -21.22266      38.39190 
1 1 1 12  5  28 o 123.515  14.701  140.926    31.082  108.026    53.025  158.149    38.365  100.898 28.721  129.586 17.395  -28.68825      33.57749 
1 1 1 12  5  29 o 68.835   20.435  46.411     26.342  21.902     44.050  60.055     32.865  61.559  25.368  77.339  22.791  -15.77988      34.10248 
1 1 1 12  5  30 o 47.222   17.171  18.158     18.319  19.253     23.663  16.519     28.942  50.631  19.294  51.975  20.876  -1.344513      28.42665 
1 1 1 12  5  31 o 39.830   16.362  6.7182     18.255  10.420     24.153  1.7867     27.877  46.031  18.855  44.792  19.384  1.238926       27.04171 
1 1 1 12  5  32 o 84.511   15.761  68.541     22.402  58.353     29.660  82.071     34.179  75.559  21.471  89.294  22.052  -13.73469      30.77833 
1 1 1 12  5  33 o 168.847  11.910  261.091    34.888  253.809    48.702  268.769    50.003  162.238 17.467  167.047 17.399  -4.809174      24.65407 
1 1 1 12  5  34 o 68.703   17.580  47.172     21.176  58.936     27.782  30.862     32.713  75.507  20.531  59.171  22.654  16.33590       30.57324 
1 1 1 12  5  35 f 98.219   16.658  94.631     27.548  85.500     32.639  117.248    51.365  90.371  21.072  99.826  28.216  -9.455414      35.21618 
1 1 1 12  5  36 o 57.680   20.498  32.598     25.937  32.598     25.937  0.0000     0.0000  57.680  20.498  ?       ?       0.000000       20.49777 
1 1 1 12  5  37 o 34.256   15.547  -7.2135    20.177  -7.5630    23.566  -6.2537    39.051  36.973  16.788  47.247  21.514  -10.27419      27.28960 
1 1 1 12  5  38 o 53.410   18.254  28.444     20.455  41.659     27.621  12.397     30.438  62.403  21.212  48.454  20.597  13.94965       29.56703 
1 1 1 12  5  39 o 58.911   18.687  36.608     21.580  46.494     29.955  25.941     31.116  64.564  22.090  53.983  21.659  10.58121       30.93610 
1 1 1 12  5  40 o 109.201  16.854  122.165    31.102  134.298    51.134  115.040    39.184  101.221 27.992  99.693  22.981  1.527451       36.21718 
1 1 1 12  5  41 o 83.819   22.588  83.437     33.805  71.435     46.163  97.316     49.643  72.496  27.098  82.713  28.432  -10.21709      39.27708 
1 1 1 12  5  42 o 77.474   22.736  73.653     32.766  32.398     44.429  122.853    48.518  57.008  24.571  93.900  27.698  -36.89198      37.02567 
1 1 1 12  5  43 o 67.956   22.702  58.467     31.630  24.337     43.110  98.263     46.552  53.436  23.589  81.442  27.539  -28.00635      36.26077 
1 1 1 12  5  44 o 94.602   23.297  113.873    38.227  113.873    38.227  0.0000     0.0000  94.602  23.297  ?       ?       0.000000       23.29659 
1 1 1 12  5  45 o 40.033   19.025  -14.6396   36.159  -14.6396   36.159  0.0000     0.0000  40.033  19.025  ?       ?       0.000000       19.02473 
1 1 1 12  5  46 f 62.353   25.903  63.245     46.451  0.0000     0.0000  63.245     46.451  ?       ?       62.353  25.903  0.000000       25.90316 
1 1 1 12  5  47 o 33.112   15.430  -7.5334    21.806  15.979     33.670  -24.5195   28.618  45.702  20.468  33.251  16.090  12.45050       26.03515 
1 1 1 12  5  48 o 49.060   19.661  29.435     25.610  -21.2193   40.165  64.141     33.246  38.856  18.863  64.795  23.188  -25.93921      29.89128 
1 1 1 12  5  49 o 74.775   18.906  70.506     24.698  74.403     34.438  66.378     35.440  68.029  23.664  63.266  23.724  4.762966       33.50853 
1 1 1 12  5  50 o 24.899   12.284  -29.6417   19.232  -30.5019   25.720  -28.5510   28.963  29.368  14.434  31.592  15.484  -2.223589      21.16792 
1 1 1 12  5  51 o 58.245   20.549  51.385     26.020  39.507     33.319  69.954     41.660  49.826  21.374  58.215  24.386  -8.389503      32.42696 
1 1 1 12  5  52 o 62.003   20.734  60.107     26.385  48.489     33.003  80.686     43.922  51.982  21.734  58.756  24.848  -6.774609      33.01179 
1 1 1 12  5  53 o 41.900   18.071  22.967     24.063  11.129     30.083  43.994     40.093  38.733  18.075  47.407  21.669  -8.673676      28.21788 
1 1 1 12  6  0  o 346.301  14.710  1063.46    88.946  1048.18    154.458 1071.04    108.795 337.147 26.450  345.728 18.085  -8.581146      32.04189 
1 1 1 12  6  1  o 274.047  13.662  664.746    65.372  644.739    113.138 674.774    80.095  264.804 24.756  274.676 16.781  -9.872223      29.90783 
1 1 1 12  6  2  o 135.875  12.886  164.612    30.206  135.940    52.009  179.205    37.105  119.774 25.642  141.245 15.289  -21.47052      29.85423 
1 1 1 12  6  3  o 193.185  12.851  331.392    43.100  334.236    76.779  330.083    52.080  190.334 23.610  192.022 15.670  -1.688385      28.33629 
1 1 1 12  6  4  o 105.138  12.954  99.203     23.278  97.723     36.107  100.256    30.451  102.315 20.917  104.647 17.267  -2.331207      27.12348 
1 1 1 12  6  5  o 248.188  11.520  543.593    49.921  541.843    71.140  545.291    70.069  245.825 16.672  246.731 16.357  -0.9056244     23.35656 
1 1 1 12  6  6  o 248.792  13.615  550.351    58.919  560.033    72.944  532.178    99.936  249.798 16.822  240.045 24.172  9.753098       29.44933 
1 1 1 12  6  7  o 232.126  11.273  475.589    45.692  519.295    66.630  436.792    62.777  240.762 15.940  220.551 16.419  20.21078       22.88382 
1 1 1 12  6  8  o 175.060  11.395  271.760    34.640  301.399    51.356  247.019    46.921  182.988 16.242  165.459 16.459  17.52901       23.12407 
1 1 1 12  6  9  o 148.638  13.907  197.951    35.673  224.637    44.965  152.625    58.601  157.608 16.588  125.770 27.455  31.83862       32.07745 
1 1 1 12  6  10 o 25.288   12.305  -30.3640   17.361  -18.0871   23.860  -44.1770   25.309  35.588  16.430  30.440  14.822  5.148338       22.12807 
1 1 1 12  6  11 f 32.762   14.367  -3.4498    15.752  18.468     26.357  -15.6271   19.646  53.140  20.337  32.106  14.853  21.03386       25.18298 
1 1 1 12  6  12 o 40.722   16.795  5.0453     19.328  7.0085     23.813  1.2547     33.089  45.436  18.679  49.868  21.343  -4.432835      28.36277 
1 1 1 12  6  13 o 39.195   16.665  1.0546     19.933  11.710     25.228  -16.6507   32.519  48.775  19.526  43.462  19.729  5.313782       27.75783 
1 1 1 12  6  14 o 203.486  13.318  370.308    47.058  367.140    58.073  376.365    80.305  201.265 16.675  200.347 23.397  0.9174347      28.73096 
1 1 1 12  6  15 o 142.494  11.717  181.349    28.895  200.184    41.760  164.050    40.022  148.223 16.411  133.597 17.584  14.62639       24.05265 
1 1 1 12  6  16 o 180.384  11.175  289.641    35.025  269.545    49.161  310.356    49.912  172.016 16.573  185.106 15.588  -13.08955      22.75169 
1 1 1 12  6  17 o 189.497  11.061  319.688    36.439  300.783    50.580  340.089    52.542  181.833 16.097  193.622 15.676  -11.78897      22.46886 
1 1 1 12  6  18 o 133.559  13.192  161.015    30.362  160.813    36.552  161.462    54.529  132.418 16.143  128.560 25.193  3.858200       29.92102 
1 1 1 12  6  19 o 147.967  16.035  200.598    40.764  207.593    57.947  193.745    57.356  146.880 23.378  141.410 24.093  5.470078       33.57132 
1 1 1 12  6  20 o 46.182   16.892  16.300     17.768  -8.3652    27.779  33.379     23.115  41.868  18.682  60.343  19.361  -18.47584      26.90537 
1 1 1 12  6  21 o 38.286   16.384  0.7036     19.494  1.5077     28.536  0.0001     26.692  46.006  19.759  44.025  19.010  1.980438       27.41888 
1 1 1 12  6  22 o 81.001   19.030  63.265     26.457  69.317     36.729  56.739     38.143  83.517  23.947  76.489  24.901  7.028168       34.54739 
1 1 1 12  6  23 o 208.385  16.607  401.652    59.923  0.0000     0.0000  401.652    59.923  ?       ?       208.385 16.607  0.000000       16.60678 
1 1 1 12  6  24 o 147.990  16.687  204.421    42.367  0.0000     0.0000  204.421    42.367  ?       ?       147.990 16.687  0.000000       16.68705 
1 1 1 12  6  25 o 53.523   19.519  23.725     23.700  0.0000     0.0000  23.725     23.700  ?       ?       53.523  19.519  0.000000       19.51945 
1 1 1 12  6  26 o 143.867  11.664  187.729    29.047  191.102    42.612  184.801    39.701  141.919 17.571  140.158 16.541  1.761841       24.13237 
1 1 1 12  6  27 o 74.322   15.884  53.048     19.988  80.072     29.028  28.683     27.564  90.249  19.021  57.526  21.040  32.72280       28.36321 
1 1 1 12  6  28 o 91.625   14.571  79.162     22.531  57.714     31.906  100.497    31.822  75.080  22.536  101.287 18.682  -26.20704      29.27262 
1 1 1 12  6  29 o 54.274   17.493  27.976     18.854  42.223     26.892  14.205     26.439  65.121  20.882  48.965  19.852  16.15554       28.81261 
1 1 1 12  6  30 o 90.520   14.495  77.874     22.136  81.398     30.740  74.078     31.904  89.448  20.164  84.447  21.562  5.000916       29.52113 
1 1 1 12  6  31 o 110.770  15.632  117.875    29.394  105.480    34.945  147.864    54.355  101.555 20.415  114.158 27.578  -12.60307      34.31218 
1 1 1 12  6  32 f 184.981  13.725  321.267    44.013  277.873    52.747  420.737    79.860  167.501 18.334  199.426 23.378  -31.92516      29.70975 
1 1 1 12  6  33 f 82.356   16.159  67.138     22.407  72.940     31.621  61.287     31.756  82.313  21.695  75.002  22.476  7.310570       31.23851 
1 1 1 12  6  34 o 38.315   16.644  1.6620     20.707  -3.7769    24.763  14.305     37.756  39.212  17.558  52.792  22.702  -13.57982      28.69968 
1 1 1 12  6  35 o 90.423   17.857  83.971     27.193  91.920     31.255  59.213     55.160  93.121  19.830  70.941  28.704  22.18047       34.88805 
1 1 1 12  6  36 o 69.448   19.265  51.960     24.181  60.561     27.342  21.082     51.806  74.208  20.447  58.136  25.752  16.07167       32.88219 
1 1 1 12  6  37 o 84.674   17.109  74.387     24.426  74.382     31.425  74.394     38.821  80.621  21.800  77.353  25.119  3.268105       33.25954 
1 1 1 12  6  38 o 46.516   17.546  20.058     19.442  24.409     23.457  10.509     34.750  50.273  19.198  48.275  21.251  1.997623       28.63882 
1 1 1 12  6  39 o 100.641  16.447  105.256    27.903  105.016    31.558  106.115    59.731  97.814  19.163  80.806  30.688  17.00824       36.17966 
1 1 1 12  6  40 o 54.233   18.657  32.433     21.378  31.724     23.497  35.837     51.514  53.709  19.459  58.178  25.729  -4.469112      32.25864 
1 1 1 12  6  41 o 51.678   18.487  29.363     21.130  29.652     23.195  27.954     51.231  51.896  19.245  55.110  24.915  -3.214195      31.48242 
1 1 1 12  6  42 o 33.816   15.072  0.0814     18.025  -9.5873    19.483  57.526     47.488  31.343  14.599  62.170  26.039  -30.82744      29.85239 
1 1 1 12  6  43 o 35.069   15.229  4.4644     17.327  9.2388     20.093  -9.3864    34.223  39.003  16.661  40.016  18.864  -1.012669      25.16829 
1 1 1 12  6  44 o 29.608   13.863  -9.7074    17.941  -14.9728   19.327  23.104     48.245  29.154  13.871  50.597  23.361  -21.44283      27.16833 
1 1 1 12  6  45 o 32.516   15.298  -10.1636   22.305  7.2740     32.162  -26.3219   30.959  42.365  19.381  34.054  16.539  8.310467       25.47845 
1 1 1 12  6  46 o 47.794   19.419  27.559     25.359  7.3492     38.070  43.679     33.999  43.426  20.287  54.339  22.327  -10.91380      30.16765 
1 1 1 12  6  47 o 32.063   15.140  -9.3225    22.209  6.7798     32.639  -23.2059   30.307  41.096  19.058  33.506  16.294  7.590019       25.07392 
1 1 1 12  6  48 o 32.312   15.226  -7.2403    22.252  45.005     33.548  -48.2855   29.735  52.674  21.959  28.885  14.421  23.78861       26.27092 
1 1 1 12  6  49 o 113.289  14.667  145.209    28.332  145.908    38.117  144.346    42.351  99.157  22.528  91.120  25.574  8.036896       34.08124 
1 1 1 12  6  50 o 30.809   14.422  -3.9640    19.399  -8.5371    22.599  8.8424     37.817  31.329  14.931  40.301  19.237  -8.972284      24.35164 
1 1 1 12  7  0  o 254.995  13.077  578.832    58.028  544.754    101.062 595.592    70.875  241.763 24.268  257.522 15.839  -15.75836      28.97946 
1 1 1 12  7  1  o 192.443  12.096  329.399    40.437  374.172    71.012  307.914    49.192  201.858 20.429  184.986 15.369  16.87178       25.56437 
1 1 1 12  7  2  o 275.850  13.307  676.637    64.094  719.897    111.007 655.003    78.501  278.740 23.014  269.496 16.766  9.243744       28.47311 
1 1 1 12  7  3  o 201.581  10.848  360.240    38.041  373.579    54.294  347.376    53.316  203.753 15.374  196.318 15.685  7.434875       21.96315 
1 1 1 12  7  4  o 171.348  10.700  260.531    31.853  267.596    45.417  253.692    44.687  172.254 15.258  167.622 15.442  4.632004       21.70845 
1 1 1 12  7  5  f 309.923  11.955  852.206    64.696  887.705    91.772  817.134    91.219  313.456 16.829  300.310 17.472  13.14545       24.25857 
1 1 1 12  7  6  o 218.731  10.397  422.991    39.707  510.991    57.763  344.154    54.673  238.854 13.910  194.952 16.208  43.90254       21.35915 
1 1 1 12  7  7  o 228.700  10.877  463.189    43.433  501.167    62.350  427.387    60.537  235.850 15.222  217.339 16.066  18.51117       22.13187 
1 1 1 12  7  8  o 82.540   12.637  61.975     17.633  71.383     26.544  54.545     23.589  87.197  18.030  76.056  18.036  11.14117       25.50257 
1 1 1 12  7  9  o 276.302  13.962  685.044    67.139  720.623    117.663 667.867    81.754  275.694 24.705  270.808 17.382  4.886200       30.20667 
1 1 1 12  7  10 o 184.137  12.703  303.834    40.592  417.730    73.238  253.331    48.768  212.269 19.996  166.336 17.032  45.93323       26.26613 
1 1 1 12  7  11 o 203.628  12.637  371.518    44.710  344.503    55.132  423.415    76.414  194.360 16.399  212.948 20.817  -18.58778      26.50052 
1 1 1 12  7  12 o 68.737   19.646  44.803     24.759  40.821     33.280  49.739     37.051  67.642  23.278  73.330  24.570  -5.687675      33.84596 
1 1 1 12  7  13 o 90.836   23.497  81.011     37.549  81.011     37.549  0.0000     0.0000  90.836  23.497  ?       ?       0.000000       23.49689 
1 1 1 12  7  14 o 162.464  12.688  237.798    35.706  190.057    61.272  262.349    43.938  138.273 26.340  169.682 14.984  -31.40918      30.30373 
1 1 1 12  7  15 o 151.124  15.870  209.938    41.251  166.199    58.105  254.388    58.575  128.528 26.761  163.613 20.987  -35.08487      34.00905 
1 1 1 12  7  16 f 69.725   19.990  46.773     25.595  29.072     34.545  68.316     38.111  61.463  23.339  82.937  24.570  -21.47395      33.88831 
1 1 1 12  7  17 o 94.446   18.822  85.540     29.949  58.504     40.966  116.579    43.894  77.515  25.834  108.111 23.889  -30.59613      35.18656 
1 1 1 12  7  18 o 131.061  13.250  156.656    29.905  107.483    51.617  181.501    36.690  101.270 28.167  140.241 15.228  -38.97085      32.01968 
1 1 1 12  7  19 o 81.629   16.942  63.682     23.357  60.623     38.300  65.493     29.472  77.911  24.914  81.466  20.682  -3.554390      32.37999 
1 1 1 12  7  20 o 188.871  12.742  324.171    41.777  256.597    70.634  360.529    51.810  158.115 26.524  197.667 15.126  -39.55122      30.53366 
1 1 1 12  7  21 o 123.365  11.607  138.249    24.709  138.199    34.645  138.301    35.249  120.825 16.883  120.692 17.214  0.1332321      24.11176 
1 1 1 12  7  22 o 77.038   16.828  57.391     22.003  68.973     34.283  49.280     28.691  82.046  23.003  70.325  21.430  11.72063       31.43841 
1 1 1 12  7  23 o 32.603   14.512  -4.5605    16.649  -20.5000   25.343  7.5413     22.083  35.328  16.520  43.159  17.889  -7.830898      24.35021 
1 1 1 12  7  24 o 47.543   17.564  18.352     19.283  0.9136     30.199  30.357     25.057  45.839  20.003  57.407  20.173  -11.56850      28.40903 
1 1 1 12  7  25 o 128.855  11.807  152.291    26.269  116.473    35.606  195.071    38.913  108.124 19.581  143.376 15.807  -35.25165      25.16463 
1 1 1 12  7  26 o 102.656  15.393  100.834    26.740  97.441     32.201  108.370    47.993  98.456  19.421  98.098  27.115  0.3576889      33.35235 
1 1 1 12  7  27 o 99.462   15.370  95.175     25.832  75.185     31.449  136.635    45.290  84.737  21.284  113.061 23.700  -28.32345      31.85392 
1 1 1 12  7  28 o 63.211   17.405  40.215     19.818  61.277     26.807  14.825     29.432  76.824  19.844  50.004  20.683  26.82055       28.66317 
1 1 1 12  7  29 o 88.990   14.507  76.466     21.765  71.752     30.254  81.524     31.336  82.081  21.018  87.823  20.762  -5.741653      29.54380 
1 1 1 12  7  30 o 109.549  12.679  113.273    23.803  132.624    33.469  93.468     33.860  115.294 17.148  93.336  21.253  21.95785       27.30807 
1 1 1 12  7  31 o 78.990   14.923  61.559     19.827  54.483     27.670  69.026     28.425  70.697  20.934  80.089  20.300  -9.392097      29.16044 
1 1 1 12  7  32 o 24.292   11.595  -15.9642   13.738  -3.8512    18.329  -31.4934   20.753  33.657  15.086  27.555  13.419  6.102085       20.18995 
1 1 1 12  7  33 o 94.198   15.498  88.916     24.604  101.286    30.922  67.576     40.617  97.858  18.780  73.674  25.695  24.18398       31.82692 
1 1 1 12  7  34 o 60.308   17.868  38.941     20.154  51.813     24.480  11.863     35.505  68.405  19.529  49.247  21.584  19.15759       29.10814 
1 1 1 12  7  35 o 48.946   19.159  22.286     23.786  22.286     23.786  0.0000     0.0000  48.946  19.159  ?       ?       0.000000       19.15878 
1 1 1 12  7  36 o 65.568   19.158  48.654     23.310  43.560     25.441  75.293     58.179  61.364  20.354  70.093  29.043  -8.728859      35.46563 
1 1 1 12  7  37 o 44.880   17.865  17.901     21.002  14.076     23.302  34.452     48.477  43.793  18.282  57.073  25.113  -13.28053      31.06266 
1 1 1 12  7  38 f 57.820   19.272  39.011     22.796  44.628     25.735  18.546     49.122  60.735  20.476  52.260  23.924  8.475594       31.49014 
1 1 1 12  7  39 o 27.506   13.116  -16.1708   17.489  -24.7193   19.209  25.263     42.289  26.836  13.032  51.880  23.108  -25.04420      26.52942 
1 1 1 12  7  40 o 68.218   17.544  53.434     21.015  42.732     26.062  73.330     35.535  58.093  20.557  71.279  24.061  -13.18644      31.64709 
1 1 1 12  7  41 f 67.308   17.660  53.032     21.015  40.875     25.952  76.186     35.816  56.301  20.442  71.432  24.156  -15.13042      31.64471 
1 1 1 12  7  42 o 39.924   16.846  12.711     20.116  14.529     22.675  5.9921     43.592  41.698  17.753  45.188  21.299  -3.490021      27.72706 
1 1 1 12  7  43 o 33.724   15.844  -8.0375    23.778  -13.6446   27.469  8.7216     47.489  34.397  16.412  45.700  21.743  -11.30313      27.24152 
1 1 1 12  7  44 o 52.675   20.924  39.959     28.752  67.302     35.968  -8.4439    47.855  62.815  23.824  42.136  20.486  20.67966       31.42082 
1 1 1 12  7  45 o 58.174   20.433  49.564     25.704  58.551     41.001  43.745     32.992  55.749  23.807  52.381  21.801  3.367256       32.28079 
1 1 1 12  7  46 o 39.099   16.809  14.560     20.686  -0.5345    23.351  69.607     44.591  34.479  16.034  56.500  24.483  -22.02096      29.26635 
1 1 1 12  7  47 o 43.013   17.106  23.530     19.237  28.232     24.589  16.110     30.888  45.025  18.787  41.007  18.845  4.017921       26.61005 
1 1 1 12  7  48 o 33.787   15.058  7.0480     17.986  13.440     22.396  -4.5637    30.184  37.788  16.825  35.054  16.853  2.734280       23.81341 
1 1 1 12  8  0  o 83.869   16.708  65.993     23.608  0.0000     0.0000  65.993     23.608  ?       ?       83.869  16.708  0.000000       16.70816 
1 1 1 12  8  1  o 220.189  16.355  442.714    62.428  0.0000     0.0000  442.714    62.428  ?       ?       220.189 16.355  0.000000       16.35452 
1 1 1 12  8  2  o 258.632  13.134  601.177    59.119  486.212    101.490 660.222    72.733  222.904 26.602  269.558 15.519  -46.65401      30.79743 
1 1 1 12  8  3  o 197.534  12.426  350.374    42.639  318.781    73.098  366.668    52.494  182.050 23.548  200.794 15.083  -18.74382      27.96427 
1 1 1 12  8  4  f 156.660  12.480  221.040    33.854  193.108    58.957  234.780    41.352  140.154 25.009  160.449 14.932  -20.29530      29.12735 
1 1 1 12  8  5  o 109.533  12.585  108.842    23.633  80.857     40.745  123.029    29.011  90.017  25.021  115.794 14.678  -25.77658      29.00872 
1 1 1 12  8  6  o 70.549   17.331  47.442     21.195  51.503     33.296  44.675     27.483  73.248  23.209  68.474  20.994  4.774147       31.29574 
1 1 1 12  8  7  o 39.138   14.579  10.977     13.339  26.919     24.786  4.4770     15.826  56.386  20.038  36.825  15.194  19.56096       25.14723 
1 1 1 12  8  8  f 123.206  13.288  138.316    28.133  130.852    46.258  142.698    35.440  114.801 23.856  123.650 16.854  -8.849037      29.20902 
1 1 1 12  8  9  o 173.018  12.582  270.664    37.751  236.267    64.120  288.912    46.703  154.423 24.606  177.397 15.225  -22.97395      28.93542 
1 1 1 12  8  10 o 162.105  15.689  242.707    43.852  243.186    61.274  242.204    62.785  157.612 22.938  156.758 23.676  0.8538971      32.96525 
1 1 1 12  8  11 o 151.347  16.107  212.831    41.910  218.790    57.661  206.157    61.023  149.159 22.869  142.929 25.381  6.230286       34.16441 
1 1 1 12  8  12 o 76.760   16.921  56.533     22.069  53.014     27.387  63.050     37.266  73.380  20.555  79.104  24.479  -5.723869      31.96445 
1 1 1 12  8  13 o 65.950   16.046  41.698     18.302  44.973     25.583  38.265     26.192  67.849  20.138  63.404  20.634  4.445404       28.83255 
1 1 1 12  8  14 o 55.402   16.536  29.101     17.215  50.347     23.389  3.9850     25.429  71.715  18.541  44.179  18.804  27.53587       26.40804 
1 1 1 12  8  15 o 194.546  11.210  341.863    37.918  363.427    53.622  320.296    53.625  197.522 15.676  184.490 16.832  13.03159       23.00168 
1 1 1 12  8  16 o 140.958  11.320  180.342    27.626  232.724    39.503  130.198    38.650  158.430 14.439  115.062 19.962  43.36806       24.63607 
1 1 1 12  8  17 o 137.396  11.637  172.059    27.656  134.863    38.748  210.686    39.486  117.083 19.650  149.939 15.297  -32.85606      24.90178 
1 1 1 12  8  18 o 179.399  11.147  292.163    34.744  264.946    48.477  320.910    49.821  166.764 16.881  184.760 15.589  -17.99525      22.97782 
1 1 1 12  8  19 o 40.898   15.848  11.381     16.150  -22.8683   22.482  47.902     23.216  31.932  15.124  69.169  18.752  -37.23664      24.09092 
1 1 1 12  8  20 o 133.897  13.730  167.514    31.645  182.244    39.158  139.783    53.729  137.692 16.623  111.500 27.717  26.19190       32.31973 
1 1 1 12  8  21 o 47.470   19.407  13.030     25.526  51.239     35.800  -26.4804   36.405  70.012  24.140  41.665  19.584  28.34692       31.08531 
1 1 1 12  8  22 o 78.745   19.871  64.061     27.323  53.505     35.018  80.487     43.682  70.837  23.885  84.020  26.580  -13.18276      35.73519 
1 1 1 12  8  23 o 31.202   14.198  -7.7062    16.972  -9.2527    24.918  -6.3681    23.179  37.762  17.192  37.364  16.838  0.3978920      24.06361 
1 1 1 12  8  24 o 114.880  12.253  123.445    24.198  134.284    33.011  110.857    35.575  116.751 16.667  102.998 20.502  13.75240       26.42161 
1 1 1 12  8  25 o 99.122   13.546  93.913     22.831  110.647    30.534  72.691     34.385  105.092 17.237  80.562  23.191  24.53031       28.89532 
1 1 1 12  8  26 o 34.001   14.589  1.9765     15.530  9.1126     20.688  -7.2365    23.506  41.715  17.304  36.887  16.756  4.827984       24.08751 
1 1 1 12  8  27 o 42.754   15.852  15.719     15.736  16.272     19.936  14.807     25.629  45.084  17.570  47.012  19.359  -1.927952      26.14282 
1 1 1 12  8  28 o 70.052   16.654  50.689     20.071  55.598     26.297  43.840     31.064  71.034  20.228  62.822  22.421  8.211372       30.19740 
1 1 1 12  8  29 o 88.075   14.864  77.462     22.045  62.310     30.029  95.176     32.467  73.489  21.819  92.771  20.582  -19.28136      29.99437 
1 1 1 12  8  30 f 27.225   12.631  -9.2182    14.356  -13.4376   17.279  0.1867     25.797  28.767  13.512  40.263  17.982  -11.49590      22.49306 
1 1 1 12  8  31 o 101.897  18.708  112.460    32.059  112.460    32.059  0.0000     0.0000  101.897 18.708  ?       ?       0.000000       18.70819 
1 1 1 12  8  32 f 68.512   19.939  54.304     25.294  54.304     25.294  0.0000     0.0000  68.512  19.939  ?       ?       0.000000       19.93904 
1 1 1 12  8  33 o 88.981   19.843  90.811     30.045  90.811     30.045  0.0000     0.0000  88.981  19.843  ?       ?       0.000000       19.84345 
1 1 1 12  8  34 o 32.108   14.062  1.2658     15.046  11.265     16.894  -37.0822   33.084  38.922  15.836  34.541  16.847  4.380520       23.12160 
1 1 1 12  8  35 o 62.588   21.188  49.704     27.556  44.430     34.818  58.547     45.083  58.227  23.058  62.524  25.703  -4.297504      34.52978 
1 1 1 12  8  36 o 30.820   14.626  -15.1083   21.221  -11.0244   27.790  -20.8206   32.867  36.293  17.075  36.843  17.679  -0.5500221     24.57876 
1 1 1 12  8  37 o 150.631  11.989  225.760    31.271  213.247    43.173  239.571    45.357  135.305 18.781  143.997 18.465  -8.691833      26.33748 
1 1 1 12  8  38 o 53.920   17.106  34.271     18.083  37.134     24.435  30.806     26.888  53.895  19.795  50.198  20.135  3.696831       28.23606 
1 1 1 12  8  39 o 26.068   12.360  -11.6801   15.095  -11.5794   19.707  -11.8231   23.480  30.042  14.209  32.597  15.444  -2.554474      20.98607 
1 1 1 12  8  40 o 47.810   16.993  27.427     17.827  36.363     23.509  15.337     27.346  52.321  19.381  42.488  18.770  9.832836       26.98036 
1 1 1 12  8  41 o 47.848   18.306  29.277     21.352  35.399     23.677  2.6108     49.412  50.971  19.330  43.594  21.106  7.377308       28.62016 
1 1 1 12  8  42 o 43.625   18.951  22.036     26.846  30.543     33.664  7.1754     44.495  46.952  20.780  42.624  20.484  4.328159       29.17904 
1 1 1 12  8  43 o 44.372   19.319  25.838     28.029  21.559     34.041  34.847     49.391  43.373  19.878  46.840  22.253  -3.467018      29.83791 
1 1 1 12  8  44 o 54.446   19.634  45.941     23.880  86.794     37.614  18.354     30.909  64.614  24.397  41.280  18.927  23.33418       30.87762 
1 1 1 12  9  0  o 122.339  13.276  137.344    27.903  100.876    48.001  155.957    34.293  97.669  27.161  129.364 15.490  -31.69492      31.26739 
1 1 1 12  9  1  o 78.533   13.386  57.465     17.697  33.531     24.307  84.461     25.816  59.891  19.897  94.373  16.253  -34.48196      25.69152 
1 1 1 12  9  2  o 167.378  11.238  253.022    32.653  265.976    46.053  239.926    46.306  168.952 15.794  159.711 16.860  9.240753       23.10221 
1 1 1 12  9  3  o 89.181   12.458  73.296     18.870  79.056     26.740  67.582     26.632  90.534  17.549  83.019  18.808  7.514214       25.72375 
1 1 1 12  9  4  o 100.038  11.587  91.395     19.864  62.049     27.646  122.719    28.562  78.950  20.024  114.757 14.584  -35.80645      24.77202 
1 1 1 12  9  5  o 75.420   13.312  53.258     16.889  45.392     23.088  62.312     24.770  67.901  18.821  79.748  18.191  -11.84734      26.17521 
1 1 1 12  9  6  o 127.654  11.187  148.018    24.683  177.506    34.858  118.368    34.955  138.027 14.689  110.204 18.842  27.82333       23.89179 
1 1 1 12  9  7  o 31.472   13.504  0.3326     13.305  -0.9595    16.937  2.4145     21.499  34.572  15.035  40.231  17.211  -5.659267      22.85328 
1 1 1 12  9  8  o 127.351  13.194  149.931    28.913  127.281    34.346  205.027    53.568  114.750 17.712  142.537 22.251  -27.78669      28.43957 
1 1 1 12  9  9  o 164.233  12.487  247.503    35.541  210.259    42.945  328.459    63.316  148.377 16.876  182.590 20.198  -34.21260      26.32046 
1 1 1 12  9  10 o 69.573   17.289  47.758     20.911  50.135     24.704  41.751     39.273  70.566  19.432  66.536  24.970  4.030136       31.64017 
1 1 1 12  9  11 o 32.124   14.033  -1.4028    14.899  4.8022     17.723  -16.3496   27.507  38.080  15.925  38.049  17.593  0.3127289E-01  23.72971 
1 1 1 12  9  12 o 107.006  12.359  106.155    22.667  74.261     31.020  142.696    33.203  84.735  21.058  122.054 15.962  -37.31857      26.42407 
1 1 1 12  9  13 o 67.603   15.117  44.468     17.397  41.045     23.184  48.881     26.320  63.792  19.224  68.962  20.416  -5.169739      28.04273 
1 1 1 12  9  14 o 19.722   9.5422  -15.6007   10.059  -16.2895   11.739  -13.6978   19.511  21.858  10.509  31.656  14.700  -9.798389      18.06971 
1 1 1 12  9  15 o 196.440  10.493  351.695    35.862  294.721    49.824  412.939    51.658  174.423 16.558  209.301 14.219  -34.87798      21.82571 
1 1 1 12  9  16 o 193.858  10.204  342.356    34.418  287.909    47.933  400.310    49.453  172.490 16.101  206.167 13.817  -33.67749      21.21725 
1 1 1 12  9  17 o 176.795  10.426  285.953    32.043  251.199    44.520  323.308    46.156  160.732 16.079  184.236 14.464  -23.50401      21.62734 
1 1 1 12  9  18 o 130.714  11.464  158.624    25.901  142.259    34.916  178.650    38.624  119.455 17.239  134.399 16.828  -14.94450      24.09070 
1 1 1 12  9  19 o 102.562  16.432  104.681    28.434  163.003    52.514  80.491     33.820  118.329 26.116  85.154  22.433  33.17507       34.42826 
1 1 1 12  9  20 o 119.559  15.250  140.098    31.110  126.497    53.488  147.052    38.244  99.163  29.034  119.125 19.027  -19.96152      34.71300 
1 1 1 12  9  21 o 128.451  15.074  161.937    33.167  203.339    59.643  143.403    39.906  129.471 27.246  115.701 20.504  13.76999       34.09888 
1 1 1 12  9  22 o 61.637   20.913  41.548     26.846  18.223     41.125  58.868     35.439  53.956  23.447  70.480  24.027  -16.52339      33.57164 
1 1 1 12  9  23 o 120.992  16.066  147.702    33.103  93.044     44.394  216.150    49.679  84.603  26.799  140.620 20.866  -56.01707      33.96426 
1 1 1 12  9  24 o 159.476  12.563  243.900    34.700  195.143    40.791  371.573    66.008  137.137 17.429  183.385 20.993  -46.24869      27.28478 
1 1 1 12  9  25 o 31.754   13.880  0.4006     14.594  4.2851     15.630  -26.0253   40.766  34.730  14.761  41.763  19.945  -7.032547      24.81372 
1 1 1 12  9  26 o 61.681   17.066  41.065     19.001  33.873     20.991  73.697     44.711  55.636  18.490  72.516  26.754  -16.88063      32.52192 
1 1 1 12  9  27 o 48.197   16.944  24.002     17.678  21.000     19.316  39.486     43.861  46.395  17.492  58.541  24.798  -12.14545      30.34602 
1 1 1 12  9  28 o 39.583   15.695  12.641     16.151  12.827     17.460  11.541     42.504  40.342  16.210  49.477  22.497  -9.134495      27.72896 
1 1 1 12  9  29 o 77.481   15.432  63.418     20.144  44.912     22.879  127.249    42.491  61.819  19.188  97.712  24.848  -35.89286      31.39470 
1 1 1 12  9  30 o 92.963   26.117  123.916    44.145  123.916    44.145  0.0000     0.0000  92.963  26.117  ?       ?       0.000000       26.11679 
1 1 1 12  9  31 o 86.283   25.174  107.019    40.275  107.019    40.275  0.0000     0.0000  86.283  25.174  ?       ?       0.000000       25.17445 
1 1 1 12  9  32 o 30.119   13.583  -2.0793    15.116  -7.4916    16.464  26.986     38.153  29.132  13.519  50.442  22.233  -21.30919      26.02085 
1 1 1 12  9  33 o 68.953   17.523  55.710     21.141  85.492     27.845  15.173     32.486  83.706  19.426  45.080  20.153  38.62630       27.99152 
1 1 1 12  9  34 o 108.810  13.740  124.445    25.524  114.856    33.172  138.359    39.960  95.100  20.575  99.941  23.324  -4.840591      31.10233 
1 1 1 12  9  35 o 53.482   17.492  35.109     18.812  58.691     23.586  -6.1269    31.189  67.740  19.111  37.852  17.894  29.88801       26.18040 
1 1 1 12  9  36 f 37.888   15.851  12.247     17.570  5.8715     19.587  38.508     39.754  35.740  15.833  50.820  22.532  -15.07975      27.53848 
1 1 1 12  9  37 o 79.958   16.892  76.577     22.844  68.283     26.195  102.910    46.676  70.109  20.259  69.086  26.895  1.022964       33.67128 
1 1 1 12  9  38 f 36.062   15.546  9.9489     17.791  7.1091     20.815  17.648     34.274  36.070  16.128  42.967  19.785  -6.897415      25.52568 
1 1 1 12  9  39 o 37.917   15.946  14.298     17.927  25.141     20.895  -15.9460   34.897  44.043  17.721  35.403  17.275  8.640602       24.74808 
1 1 1 12  9  40 o 63.988   21.408  67.814     28.129  88.138     46.115  55.772     35.497  58.460  25.113  52.842  22.342  5.617825       33.61290 
1 1 1 12  10 0  o 49.119   14.547  23.165     13.361  22.884     18.345  23.483     19.498  49.870  17.276  50.648  17.795  -0.7784882     24.80195 
1 1 1 12  10 1  o 113.207  11.885  118.720    23.143  91.895     32.071  147.863    33.429  94.617  20.036  123.889 15.814  -29.27175      25.52528 
1 1 1 12  10 2  o 68.964   13.861  45.790     16.112  25.952     21.458  71.428     24.394  52.789  18.657  84.819  17.063  -32.02985      25.28250 
1 1 1 12  10 3  o 53.069   15.090  27.527     14.645  20.755     18.358  39.382     24.289  48.163  17.231  62.165  19.837  -14.00130      26.27541 
1 1 1 12  10 4  o 65.514   14.209  41.723     15.787  45.715     21.054  36.595     23.859  67.129  17.707  60.157  19.700  6.971920       26.48827 
1 1 1 12  10 5  o 75.005   13.927  54.246     17.567  49.864     22.342  61.344     28.433  69.812  18.157  76.035  20.810  -6.222374      27.61800 
1 1 1 12  10 6  o 121.773  11.506  137.516    24.175  142.660    33.079  131.619    35.419  120.841 16.076  114.230 18.381  6.610817       24.41966 
1 1 1 12  10 7  o 53.365   16.758  28.202     17.393  42.156     19.410  -28.6517   39.179  64.459  17.002  42.221  19.989  22.23749       26.24107 
1 1 1 12  10 8  o 32.292   13.445  3.7231     12.555  -3.7722    13.759  41.029     30.695  29.349  13.119  62.653  22.295  -33.30328      25.86852 
1 1 1 12  10 9  o 124.499  12.776  146.453    27.379  130.958    32.479  184.499    50.893  114.710 16.707  129.512 23.365  -14.80198      28.72325 
1 1 1 12  10 10 o 51.836   15.610  26.743     15.290  24.304     19.047  31.163     25.641  50.287  17.593  56.030  20.323  -5.743717      26.88012 
1 1 1 12  10 11 o 79.111   13.760  60.882     18.316  59.771     23.813  62.491     28.663  75.598  18.248  75.431  20.993  0.1673203      27.81509 
1 1 1 12  10 12 o 120.383  11.783  136.339    24.450  124.288    32.853  151.299    36.605  110.231 17.666  121.690 17.750  -11.45898      25.04278 
1 1 1 12  10 13 o 160.210  10.848  238.721    30.167  231.770    42.263  245.942    43.073  152.407 16.126  157.290 15.902  -4.882751      22.64805 
1 1 1 12  10 14 o 150.147  12.844  215.559    33.350  223.009    40.504  199.878    58.766  149.578 15.745  126.961 27.319  22.61735       31.53119 
1 1 1 12  10 15 o 43.234   16.463  15.984     17.219  23.961     19.758  -9.2095    35.114  49.462  17.855  43.111  19.913  6.351112       26.74619 
1 1 1 12  10 16 o 57.021   17.170  34.348     18.500  40.100     21.261  16.419     37.536  60.855  18.426  51.397  22.368  9.457756       28.97977 
1 1 1 12  10 17 o 59.111   17.487  37.478     19.314  27.718     22.921  61.375     35.867  52.027  19.162  70.116  24.164  -18.08872      30.83946 
1 1 1 12  10 18 o 52.976   20.921  28.215     28.588  31.190     43.500  25.954     37.930  56.866  24.408  54.018  22.978  2.847507       33.52285 
1 1 1 12  10 19 o 39.877   17.706  2.3190     24.633  -41.2464   40.549  27.799     31.011  38.646  18.805  52.884  21.479  -14.23862      28.54808 
1 1 1 12  10 20 o 78.785   22.283  76.206     32.023  41.713     45.301  110.658    45.275  59.361  25.176  88.934  26.879  -29.57276      36.82869 
1 1 1 12  10 21 o 29.646   13.336  -3.0015    14.464  -9.9301    16.291  22.797     31.435  28.633  13.341  50.122  21.099  -21.48840      24.96304 
1 1 1 12  10 22 o 120.272  14.388  147.457    29.616  137.929    35.655  168.660    53.188  110.597 19.157  108.279 27.944  2.317413       33.88032 
1 1 1 12  10 23 o 57.474   18.301  38.089     20.682  37.874     24.611  38.603     38.157  56.372  19.974  56.150  23.414  0.2212639      30.77641 
1 1 1 12  10 24 o 45.699   16.599  21.919     17.114  29.389     22.688  12.056     26.069  50.926  19.004  43.107  18.700  7.818073       26.66190 
1 1 1 12  10 25 o 78.019   15.996  66.376     21.059  30.534     28.430  109.955    31.348  51.322  20.663  96.957  19.196  -45.63531      28.20364 
1 1 1 12  10 26 o 162.345  11.884  261.174    33.454  275.556    47.041  246.457    47.586  156.517 17.513  144.711 19.315  11.80594       26.07252 
1 1 1 12  10 27 o 110.782  12.860  125.276    24.414  126.297    32.690  123.988    36.710  103.468 18.787  97.467  22.082  6.000679       28.99241 
1 1 1 12  10 28 o 103.039  19.186  128.218    33.248  128.218    33.248  0.0000     0.0000  103.039 19.186  ?       ?       0.000000       19.18583 
1 1 1 12  10 29 o 47.924   17.990  27.518     20.389  4.4862     23.719  92.695     39.900  37.687  17.003  74.113  25.489  -36.42546      30.63999 
1 1 1 12  10 30 o 66.875   18.845  57.254     22.948  42.541     27.017  95.361     43.481  54.785  20.679  71.050  26.350  -16.26404      33.49525 
1 1 1 12  10 31 o 29.889   13.891  -5.4639    17.479  -11.1974   20.193  11.670     34.908  30.067  14.268  42.648  19.754  -12.58077      24.36771 
1 1 1 12  10 32 o 89.080   17.014  95.292     25.498  94.650     29.730  97.079     49.584  82.950  20.617  64.376  26.755  18.57339       33.77648 
1 1 1 12  10 33 o 39.572   16.026  16.877     17.211  11.622     20.434  29.707     31.929  37.711  16.455  46.233  20.361  -8.521999      26.17879 
1 1 1 12  10 34 o 43.080   17.309  23.443     19.904  -3.8028    25.082  69.787     32.712  33.977  16.058  61.975  22.881  -27.99759      27.95307 
1 1 1 12  10 35 o 43.181   17.268  24.595     19.707  20.980     24.699  30.930     32.695  41.417  18.081  44.954  20.149  -3.536621      27.07209 
1 1 1 12  11 0  o 46.432   14.792  21.283     13.511  13.471     18.560  30.091     19.707  42.358  16.816  53.916  17.916  -11.55792      24.57096 
1 1 1 12  11 1  o 71.850   13.672  50.979     16.525  57.431     21.878  42.407     25.216  73.984  17.253  61.988  20.250  11.99606       26.60316 
1 1 1 12  11 2  f 43.038   14.988  17.488     13.817  10.026     19.532  24.963     19.548  40.822  16.864  50.051  17.794  -9.228683      24.51618 
1 1 1 12  11 3  o 46.628   17.056  20.637     18.116  6.4233     19.932  88.152     43.440  39.168  16.659  81.899  26.570  -42.73152      31.36038 
1 1 1 12  11 4  o 49.547   17.348  24.742     18.522  17.858     20.393  57.169     44.260  45.514  17.761  67.165  26.178  -21.65118      31.63413 
1 1 1 12  11 5  o 59.235   19.061  38.540     22.391  38.540     22.391  0.0000     0.0000  59.235  19.061  ?       ?       0.000000       19.06085 
1 1 1 12  11 6  o 154.725  16.871  247.734    44.839  247.734    44.839  0.0000     0.0000  154.725 16.871  ?       ?       0.000000       16.87064 
1 1 1 12  11 7  o 143.099  16.848  212.804    41.291  212.804    41.291  0.0000     0.0000  143.099 16.848  ?       ?       0.000000       16.84821 
1 1 1 12  11 8  o 183.541  13.085  328.617    41.660  259.455    49.361  499.861    77.671  155.122 18.595  208.904 21.606  -53.78091      28.50575 
1 1 1 12  11 9  o 175.002  13.070  299.656    39.650  242.630    46.355  455.141    76.542  150.490 17.998  196.142 22.773  -45.65202      29.02665 
1 1 1 12  11 10 o 65.112   18.209  47.374     21.510  31.291     23.533  129.044    53.029  53.429  19.456  92.034  29.304  -38.60556      35.17466 
1 1 1 12  11 11 f 116.776  14.624  138.626    29.164  104.629    32.610  274.451    65.181  95.402  20.205  143.625 26.982  -48.22368      33.70898 
1 1 1 12  11 12 o 45.789   16.548  21.270     16.979  34.554     20.795  -5.2938    29.406  55.377  18.404  39.604  18.269  15.77296       25.93163 
1 1 1 12  11 13 o 31.281   13.807  0.0714     14.765  -5.6521    17.709  13.128     26.746  31.390  14.368  44.365  19.093  -12.97504      23.89544 
1 1 1 12  11 14 o 129.498  14.226  171.179    31.636  83.105     47.464  241.585    42.437  71.981  27.351  150.534 16.411  -78.55380      31.89705 
1 1 1 12  11 15 o 94.900   17.280  99.193     27.578  64.557     39.967  130.671    38.102  66.123  25.105  102.974 21.867  -36.85074      33.29262 
1 1 1 12  11 16 o 70.379   21.566  63.961     29.007  104.685    49.522  42.692     35.789  78.297  28.267  56.964  23.096  21.33326       36.50303 
1 1 1 12  11 17 o 73.265   21.502  69.576     29.305  66.191     49.716  71.378     36.277  62.975  26.523  69.749  24.286  -6.773899      35.96241 
1 1 1 12  11 18 o 86.633   20.942  94.247     31.328  52.503     52.715  117.041    38.952  57.993  25.817  92.055  23.991  -34.06188      35.24333 
1 1 1 12  11 19 o 34.249   14.925  4.2834     16.761  3.9540     20.032  5.0526     30.609  36.158  16.015  41.555  18.971  -5.396927      24.82663 
1 1 1 12  11 20 o 63.939   18.180  49.559     21.259  35.746     27.418  70.383     33.664  52.621  20.577  68.718  23.418  -16.09658      31.17409 
1 1 1 12  11 21 o 119.485  19.574  174.527    39.423  109.775    49.773  283.543    64.582  74.762  28.100  132.154 28.801  -57.39206      40.23816 
1 1 1 12  11 22 o 34.801   15.519  3.3788     19.135  -2.0415    21.298  26.077     43.583  34.060  15.651  48.686  22.378  -14.62551      27.30848 
1 1 1 12  11 23 o 88.938   15.533  88.765     23.244  66.517     30.793  118.232    35.438  66.260  22.398  92.150  22.272  -25.89080      31.58634 
1 1 1 12  11 24 o 26.838   12.512  -6.7449    14.364  -9.1664    18.489  -3.0584    22.813  29.448  13.877  34.139  15.867  -4.691484      21.07920 
1 1 1 12  11 25 o 36.346   15.561  10.012     17.598  16.835     21.050  -5.8247    32.070  40.818  17.228  37.301  17.780  3.516960       24.75769 
1 1 1 12  11 26 o 52.506   20.626  42.406     27.650  42.406     27.650  0.0000     0.0000  52.506  20.626  ?       ?       0.000000       20.62558 
1 1 1 12  11 27 o 46.377   18.306  29.131     21.878  1.0201     26.490  89.447     38.802  36.077  16.876  66.983  24.882  -30.90689      30.06523 
1 1 1 12  11 28 o 59.696   19.284  52.003     22.902  60.068     28.449  37.154     38.603  59.853  21.447  46.990  21.395  12.86312       30.29339 
1 1 1 12  11 29 o 27.724   12.956  -4.8553    15.549  11.200     20.859  -24.9367   23.328  36.681  16.290  27.931  13.731  8.750099       21.30491 
1 1 1 12  12 0  o 21.917   10.638  -18.2797   12.759  -20.1206   13.895  -8.3814    32.219  22.710  11.041  39.753  18.601  -17.04233      21.63132 
1 1 1 12  12 1  o 83.590   14.995  73.484     21.082  48.840     27.599  108.006    32.665  62.019  21.203  95.413  20.234  -33.39433      29.30906 
1 1 1 12  12 2  o 47.023   16.149  23.750     16.014  19.362     20.064  31.452     26.580  44.560  17.549  52.110  20.293  -7.549603      26.82845 
1 1 1 12  12 3  o 35.106   15.065  5.4690     16.564  8.3779     18.687  -5.1968    35.781  37.892  16.124  41.747  19.556  -3.854721      25.34605 
1 1 1 12  12 4  o 38.578   15.683  11.818     16.553  1.6443     18.625  50.054     36.108  34.638  15.387  59.678  23.529  -25.03960      28.11399 
1 1 1 12  12 5  o 65.342   18.418  50.710     21.916  61.998     25.574  19.494     42.528  70.861  19.868  49.367  22.469  21.49424       29.99289 
1 1 1 12  12 6  o 37.395   15.414  10.396     16.270  7.9775     19.743  15.513     28.721  37.962  16.371  44.672  19.500  -6.710308      25.46087 
1 1 1 12  12 7  o 41.304   15.871  16.802     16.093  6.1109     19.800  37.616     27.626  37.023  16.175  54.167  20.799  -17.14310      26.34829 
1 1 1 12  12 8  o 96.699   13.999  98.062     22.949  62.456     30.186  146.832    35.328  66.908  22.170  111.711 18.778  -44.80248      29.05380 
1 1 1 12  12 9  o 82.818   14.756  73.831     20.556  65.791     26.555  85.852     32.470  71.369  20.328  78.849  22.485  -7.480034      30.31202 
1 1 1 12  12 10 o 79.219   14.987  68.403     19.972  56.380     25.471  87.594     32.179  65.446  20.235  79.682  22.267  -14.23569      30.08769 
1 1 1 12  12 11 f 53.853   17.243  34.908     18.341  19.452     23.193  60.705     29.964  43.809  18.260  64.668  22.093  -20.85911      28.66250 
1 1 1 12  12 12 o 93.727   13.964  93.812     22.155  73.784     28.844  122.631    34.599  73.195  21.290  96.798  21.069  -23.60324      29.95247 
1 1 1 12  12 13 o 88.529   18.236  95.071     27.251  91.839     43.483  97.161     34.970  69.640  26.247  80.420  23.456  -10.77940      35.20052 
1 1 1 12  12 14 f 76.899   19.259  76.020     25.803  62.657     40.653  85.035     33.392  58.651  24.288  74.240  23.204  -15.58875      33.59068 
1 1 1 12  12 15 o 46.948   17.975  27.589     20.597  19.327     29.413  35.538     28.852  43.714  19.381  50.077  20.571  -6.362431      28.26301 
1 1 1 12  12 16 o 49.497   19.291  33.628     24.035  0.4225     40.806  51.268     29.742  41.099  19.716  56.841  21.639  -15.74178      29.27334 
1 1 1 12  12 17 o 37.589   16.053  12.201     18.645  16.903     25.045  6.3540     27.925  41.320  18.119  38.543  17.787  2.776962       25.39050 
1 1 1 12  12 18 o 50.310   18.376  34.888     21.016  19.656     28.820  52.186     30.711  42.537  19.002  55.515  21.759  -12.97822      28.88799 
1 1 1 12  12 19 o 30.968   14.350  -2.3244    18.451  -15.4865   25.227  12.817     27.058  31.327  15.146  39.561  17.973  -8.233456      23.50423 
1 1 1 12  12 20 o 47.833   18.165  32.388     20.928  27.367     28.056  38.687     31.421  44.278  19.302  48.158  20.710  -3.880375      28.31036 
1 1 1 13  0  0  o 52.245   27.874  34.781     34.597  34.781     34.597  34.781     34.597  52.245  27.874  52.245  27.874  0.000000       0.000000 
1 1 1 13  0  1  o 69.197   30.148  60.691     37.796  60.691     37.796  60.691     37.796  69.197  30.148  69.197  30.148  0.000000       0.000000 
1 1 1 13  0  2  o 175.434  23.501  285.570    68.364  285.570    68.364  285.570    68.364  175.434 23.501  175.434 23.501  0.000000       0.000000 
1 1 1 13  0  3  o 289.534  24.729  756.727    122.920 756.727    122.920 756.727    122.920 289.534 24.729  289.534 24.729  0.000000       0.000000 
1 1 1 13  0  4  o 84.240   30.951  83.827     42.084  83.827     42.084  83.827     42.084  84.240  30.951  84.240  30.951  0.000000       0.000000 
1 1 1 13  0  5  o 339.846  18.324  1024.16    108.013 1024.16    108.013 1024.16    108.013 339.846 18.324  339.846 18.324  0.000000       0.000000 
1 1 1 13  0  6  o 151.429  18.053  209.885    45.942  209.885    45.942  209.885    45.942  151.429 18.053  151.429 18.053  0.000000       0.000000 
1 1 1 13  0  7  o 238.533  17.167  507.532    70.651  507.532    70.651  507.532    70.651  238.533 17.167  238.533 17.167  0.000000       0.000000 
1 1 1 13  0  8  o 153.733  20.622  218.960    52.559  218.960    52.559  218.960    52.559  153.733 20.622  153.733 20.622  0.000000       0.000000 
1 1 1 13  0  9  o 126.834  22.007  153.785    44.340  153.785    44.340  153.785    44.340  126.834 22.007  126.834 22.007  0.000000       0.000000 
1 1 1 13  0  10 o 353.045  20.322  1109.15    124.325 1109.15    124.325 1109.15    124.325 353.045 20.322  353.045 20.322  0.000000       0.000000 
1 1 1 13  0  11 f 477.823  22.521  2030.16    186.948 2030.16    186.948 2030.16    186.948 477.823 22.521  477.823 22.521  0.000000       0.000000 
1 1 1 13  0  12 f 447.600  21.476  1780.49    166.965 1780.49    166.965 1780.49    166.965 447.600 21.476  447.600 21.476  0.000000       0.000000 
1 1 1 13  0  13 o 395.263  19.946  1387.75    136.861 1387.75    136.861 1387.75    136.861 395.263 19.946  395.263 19.946  0.000000       0.000000 
1 1 1 13  0  14 o 159.270  18.608  232.221    49.901  232.221    49.901  232.221    49.901  159.270 18.608  159.270 18.608  0.000000       0.000000 
1 1 1 13  0  15 o 26.703   18.279  -17.3720   27.048  -17.3720   27.048  -17.3720   27.048  26.703  18.279  26.703  18.279  0.000000       0.000000 
1 1 1 13  0  16 o 277.654  17.250  686.224    82.891  686.224    82.891  686.224    82.891  277.654 17.250  277.654 17.250  0.000000       0.000000 
1 1 1 13  0  17 f 310.545  26.341  876.195    140.466 876.195    140.466 876.195    140.466 310.545 26.341  310.545 26.341  0.000000       0.000000 
1 1 1 13  0  18 f 75.313   33.816  73.563     47.503  73.563     47.503  73.563     47.503  75.313  33.816  75.313  33.816  0.000000       0.000000 
1 1 1 13  0  19 o 361.317  27.842  1186.82    173.255 1186.82    173.255 1186.82    173.255 361.317 27.842  361.317 27.842  0.000000       0.000000 
1 1 1 13  0  20 o 126.044  32.969  167.864    62.695  167.864    62.695  167.864    62.695  126.044 32.969  126.044 32.969  0.000000       0.000000 
1 1 1 13  0  21 o 128.707  33.445  175.044    64.951  175.044    64.951  175.044    64.951  128.707 33.445  128.707 33.445  0.000000       0.000000 
1 1 1 13  0  22 o 141.998  31.949  205.532    69.129  205.532    69.129  205.532    69.129  141.998 31.949  141.998 31.949  0.000000       0.000000 
1 1 1 13  0  23 o 243.855  26.607  550.887    109.867 550.887    109.867 550.887    109.867 243.855 26.607  243.855 26.607  0.000000       0.000000 
1 1 1 13  0  24 o 104.274  39.179  133.283    66.667  133.283    66.667  133.283    66.667  104.274 39.179  104.274 39.179  0.000000       0.000000 
1 1 1 13  0  25 o 69.664   30.168  62.351     37.854  62.351     37.854  62.351     37.854  69.664  30.168  69.664  30.168  0.000000       0.000000 
1 1 1 13  0  26 o 184.657  18.491  311.162    58.250  311.162    58.250  311.162    58.250  184.657 18.491  184.657 18.491  0.000000       0.000000 
1 1 1 13  0  27 o 109.362  22.600  118.953    38.094  118.953    38.094  118.953    38.094  109.362 22.600  109.362 22.600  0.000000       0.000000 
1 1 1 13  0  28 o 17.637   12.817  -47.2013   22.176  -47.2013   22.176  -47.2013   22.176  17.637  12.817  17.637  12.817  0.000000       0.000000 
1 1 1 13  0  29 o 37.650   22.551  13.739     26.475  13.739     26.475  13.739     26.475  37.650  22.551  37.650  22.551  0.000000       0.000000 
1 1 1 13  0  30 o 132.122  28.445  177.971    57.585  177.971    57.585  177.971    57.585  132.122 28.445  132.122 28.445  0.000000       0.000000 
1 1 1 13  0  31 o 40.456   25.666  7.3900     39.329  7.3900     39.329  7.3900     39.329  40.456  25.666  40.456  25.666  0.000000       0.000000 
1 1 1 13  0  32 o 166.899  26.914  272.426    72.315  272.426    72.315  272.426    72.315  166.899 26.914  166.899 26.914  0.000000       0.000000 
1 1 1 13  0  33 o 87.085   34.870  97.727     51.463  97.727     51.463  97.727     51.463  87.085  34.870  87.085  34.870  0.000000       0.000000 
1 1 1 13  0  34 o 51.382   29.626  33.015     42.803  33.015     42.803  33.015     42.803  51.382  29.626  51.382  29.626  0.000000       0.000000 
1 1 1 13  0  35 o 30.182   19.793  -2.5087    26.087  -2.5087    26.087  -2.5087    26.087  30.182  19.793  30.182  19.793  0.000000       0.000000 
1 1 1 13  0  36 o 29.987   19.742  -3.3050    26.327  -3.3050    26.327  -3.3050    26.327  29.987  19.742  29.987  19.742  0.000000       0.000000 
1 1 1 13  0  37 o 145.816  17.760  199.652    43.428  199.652    43.428  199.652    43.428  145.816 17.760  145.816 17.760  0.000000       0.000000 
1 1 1 13  0  38 o 34.144   21.371  7.7955     26.263  7.7955     26.263  7.7955     26.263  34.144  21.371  34.144  21.371  0.000000       0.000000 
1 1 1 13  0  39 o 148.031  17.949  206.928    44.578  206.928    44.578  206.928    44.578  148.031 17.949  148.031 17.949  0.000000       0.000000 
1 1 1 13  0  40 o 43.287   24.893  24.050     30.095  24.050     30.095  24.050     30.095  43.287  24.893  43.287  24.893  0.000000       0.000000 
1 1 1 13  0  41 o 41.553   24.009  21.960     28.203  21.960     28.203  21.960     28.203  41.553  24.009  41.553  24.009  0.000000       0.000000 
1 1 1 13  0  42 o 29.117   19.455  -6.2295    27.195  -6.2295    27.195  -6.2295    27.195  29.117  19.455  29.117  19.455  0.000000       0.000000 
1 1 1 13  0  43 o 80.754   34.701  93.968     50.148  93.968     50.148  93.968     50.148  80.754  34.701  80.754  34.701  0.000000       0.000000 
1 1 1 13  0  44 o 20.885   15.133  -55.4131   29.706  -55.4131   29.706  -55.4131   29.706  20.885  15.133  20.885  15.133  0.000000       0.000000 
1 1 1 13  0  45 o 40.239   25.617  12.730     39.579  12.730     39.579  12.730     39.579  40.239  25.617  40.239  25.617  0.000000       0.000000 
1 1 1 13  0  46 o 27.765   19.383  -26.2324   34.343  -26.2324   34.343  -26.2324   34.343  27.765  19.383  27.765  19.383  0.000000       0.000000 
1 1 1 13  0  47 f 40.598   24.221  21.432     30.301  21.432     30.301  21.432     30.301  40.598  24.221  40.598  24.221  0.000000       0.000000 
1 1 1 13  0  48 o 47.428   25.717  34.322     29.902  34.322     29.902  34.322     29.902  47.428  25.717  47.428  25.717  0.000000       0.000000 
1 1 1 13  0  49 o 37.376   22.839  16.634     28.314  16.634     28.314  16.634     28.314  37.376  22.839  37.376  22.839  0.000000       0.000000 
1 1 1 13  0  50 o 52.408   26.456  42.986     29.996  42.986     29.996  42.986     29.996  52.408  26.456  52.408  26.456  0.000000       0.000000 
1 1 1 13  0  51 o 41.519   24.462  25.507     30.224  25.507     30.224  25.507     30.224  41.519  24.462  41.519  24.462  0.000000       0.000000 
1 1 1 13  0  52 f 31.790   20.823  3.9265     28.751  3.9265     28.751  3.9265     28.751  31.790  20.823  31.790  20.823  0.000000       0.000000 
1 1 1 13  0  53 o 35.122   22.309  12.843     29.809  12.843     29.809  12.843     29.809  35.122  22.309  35.122  22.309  0.000000       0.000000 
1 1 1 13  1  0  o 98.312   11.632  86.166     19.580  80.659     27.663  91.695     27.719  93.886  17.519  100.514 16.356  -6.628357      23.96745 
1 1 1 13  1  1  o 30.544   12.781  1.4189     11.426  -0.7928    22.978  2.1454     13.170  41.450  17.764  33.095  13.774  8.355259       22.47876 
1 1 1 13  1  2  o 198.874  13.578  350.491    46.868  330.786    58.116  387.149    79.265  192.226 17.507  206.567 22.332  -14.34091      28.37608 
1 1 1 13  1  3  o 84.357   18.102  65.643     25.864  71.664     32.134  54.567     43.585  87.753  21.208  79.406  26.648  8.346931       34.05711 
1 1 1 13  1  4  o 75.632   18.623  52.956     24.430  45.777     31.771  63.339     38.211  71.675  22.668  82.969  24.608  -11.29399      33.45680 
1 1 1 13  1  5  o ?        ?       -83.5182   9.2002  -173.5004  21.955  -64.3520   10.133  ?       ?       ?       ?       0.000000       ?        
1 1 1 13  1  6  o ?        ?       -403.7252  10.142  -403.7252  10.142  0.0000     0.0000  ?       ?       ?       ?       0.000000       ?        
1 1 1 13  1  7  o ?        ?       -147.5010  8.1305  -135.7285  11.877  -157.8841  11.154  ?       ?       ?       ?       0.000000       ?        
1 1 1 13  1  8  o ?        ?       -104.7951  16.233  -139.3760  18.570  7.2360     33.424  ?       ?       52.866  21.968  0.000000       21.96819 
1 1 1 13  1  9  o 277.292  11.521  677.435    55.781  672.441    78.846  682.440    78.927  274.485 16.528  276.565 16.418  -2.079987      23.29659 
1 1 1 13  1  10 o 456.847  14.885  1850.95    118.733 1503.08    166.997 2206.55    168.846 406.291 23.642  496.049 19.494  -89.75830      30.64284 
1 1 1 13  1  11 o 352.853  15.265  1105.75    94.051  1275.71    115.376 769.106    162.376 378.005 17.481  283.851 33.401  94.15417       37.69865 
1 1 1 13  1  12 o 48.235   20.019  6.1452     27.709  14.356     33.003  -13.4677   51.008  55.454  22.285  57.425  25.489  -1.970673      33.85740 
1 1 1 13  1  13 o ?        ?       -453.9929  9.9267  -455.6693  12.965  -451.6180  15.431  ?       ?       ?       ?       0.000000       ?        
1 1 1 13  1  14 o 19.322   9.7648  -53.5630   15.919  -41.1510   17.894  -100.6642  34.859  23.566  11.667  30.157  15.137  -6.591782      19.11131 
1 1 1 13  1  15 o 92.409   20.318  80.039     31.891  97.136     38.811  44.501     55.956  101.422 22.504  78.053  29.688  23.36866       37.25361 
1 1 1 13  1  16 o 242.591  18.005  531.720    75.723  552.240    108.005 511.883    106.194 243.037 25.848  233.509 26.516  9.528442       37.02979 
1 1 1 13  1  17 o 94.249   23.180  84.623     37.882  98.115     54.849  72.318     52.382  100.561 29.389  88.389  29.201  12.17180       41.42974 
1 1 1 13  1  18 o 81.130   28.246  58.047     49.071  0.0000     0.0000  58.047     49.071  ?       ?       81.130  28.246  0.000000       28.24631 
1 1 1 13  1  19 o 195.082  13.502  340.285    45.708  280.340    77.641  372.079    56.545  171.086 26.877  203.054 16.080  -31.96835      31.31970 
1 1 1 13  1  20 o 45.437   17.947  11.128     21.043  -3.8828    33.614  20.802     26.985  48.301  21.090  54.607  20.653  -6.305767      29.51865 
1 1 1 13  1  21 o 116.576  16.164  124.495    32.017  135.534    56.081  119.157    38.998  117.104 27.836  112.429 20.625  4.674393       34.64487 
1 1 1 13  1  22 o 62.936   20.506  35.723     25.865  28.337     45.128  39.337     31.565  66.534  26.282  66.657  22.676  -0.1237335     34.71210 
1 1 1 13  1  23 o 186.184  16.458  316.228    52.953  362.067    75.074  270.842    74.701  195.929 22.344  166.647 26.565  29.28229       34.71217 
1 1 1 13  1  24 o 290.000  14.461  757.282    73.227  824.305    125.576 722.748    90.139  293.320 24.750  280.069 18.537  13.25027       30.92250 
1 1 1 13  1  25 o 241.987  13.880  528.719    58.400  537.049    98.322  524.179    72.592  236.217 24.179  238.611 17.547  -2.394333      29.87517 
1 1 1 13  1  26 o 232.167  14.073  488.463    56.782  459.887    96.765  503.469    70.124  215.908 26.205  233.552 17.319  -17.64388      31.41078 
1 1 1 13  1  27 o 120.186  15.971  134.125    32.686  109.756    38.636  195.482    61.305  105.985 21.610  139.353 26.156  -33.36842      33.92828 
1 1 1 13  1  28 o 89.332   18.557  76.868     27.999  77.067     31.559  76.135     60.682  88.555  20.770  86.833  31.300  1.721832       37.56403 
1 1 1 13  1  29 o 168.699  17.009  266.505    49.419  209.453    66.038  339.127    74.505  141.846 27.657  185.063 23.594  -43.21761      36.35333 
1 1 1 13  1  30 o 71.919   20.120  51.162     26.257  42.198     39.900  58.009     34.872  68.211  25.252  75.821  23.715  -7.609612      34.64245 
1 1 1 13  1  31 o 95.157   22.066  91.944     35.951  66.346     46.236  131.081    57.170  79.787  27.439  108.695 29.409  -28.90832      40.22161 
1 1 1 13  1  32 o 139.156  18.446  187.598    43.716  122.426    57.840  274.426    66.762  103.489 30.161  163.388 24.127  -59.89902      38.62409 
1 1 1 13  1  33 o 162.757  14.407  247.589    40.519  225.744    48.585  297.484    73.429  152.049 18.694  167.190 25.998  -15.14098      32.02112 
1 1 1 13  1  34 o 91.937   18.545  84.416     28.743  71.980     34.183  114.426    53.103  82.254  22.937  99.120  28.903  -16.86632      36.89861 
1 1 1 13  1  35 o 28.361   13.402  -17.3338   17.463  0.3666     24.268  -36.3396   25.147  40.902  17.888  30.890  14.980  10.01202       23.33174 
1 1 1 13  1  36 o 153.322  12.583  219.358    33.390  239.520    47.771  200.100    46.689  155.322 17.945  140.296 19.594  15.02567       26.56937 
1 1 1 13  1  37 f 62.522   18.548  40.420     21.707  43.778     30.395  36.925     31.012  64.228  22.238  60.489  22.288  3.738583       31.48439 
1 1 1 13  1  38 o 69.262   17.643  49.723     21.396  69.604     30.063  29.318     30.457  79.646  21.231  55.961  21.742  23.68505       30.38875 
1 1 1 13  1  39 o 58.372   18.448  35.797     21.047  36.478     30.540  35.182     29.046  59.025  22.045  58.171  21.544  0.8532066      30.82380 
1 1 1 13  1  40 f 39.252   16.369  8.0274     18.650  12.368     26.377  3.6881     26.374  45.676  19.282  42.165  18.539  3.511063       26.74872 
1 1 1 13  1  41 o 32.170   14.692  -6.6404    18.382  -9.7476    26.796  -3.8782    25.264  37.616  17.382  38.431  17.424  -0.8143997     24.61186 
1 1 1 13  1  42 o 61.623   18.723  42.485     21.924  45.778     30.225  38.828     31.848  61.867  22.112  58.131  22.329  3.736206       31.42530 
1 1 1 13  1  43 o 88.012   18.890  86.804     28.160  71.626     34.095  119.376    49.948  74.291  23.481  88.922  28.453  -14.63101      36.89091 
1 1 1 13  1  44 o 60.782   22.460  47.510     31.535  8.2664     44.094  88.596     45.117  48.485  22.367  75.707  27.021  -27.22220      35.07722 
1 1 1 13  1  45 f 73.900   23.761  76.096     34.799  77.707     48.571  74.397     49.881  68.020  27.140  66.455  27.144  1.564796       38.38461 
1 1 1 13  1  46 o 52.944   20.080  34.482     25.552  22.388     42.538  41.310     31.961  49.788  22.587  55.723  22.084  -5.934460      31.58946 
1 1 1 13  1  47 o 46.108   19.078  22.592     25.051  -43.9810   49.465  45.557     29.052  39.363  19.472  57.436  21.492  -18.07365      29.00074 
1 1 1 13  1  48 o 46.650   18.275  25.483     21.655  34.848     32.789  18.240     28.839  50.983  21.509  44.360  19.447  6.622803       28.99753 
1 1 1 13  1  49 o 38.546   16.887  10.230     21.710  6.7417     32.953  12.905     28.858  41.184  19.117  41.823  18.823  -0.6390076     26.82817 
1 1 1 13  1  50 o 60.940   19.923  52.605     24.407  37.929     37.768  63.130     31.983  49.587  21.975  61.653  22.646  -12.06633      31.55554 
1 1 1 13  1  51 o 60.643   20.334  55.238     25.378  95.124     37.895  22.803     34.173  71.018  24.817  43.995  20.069  27.02236       31.91614 
1 1 1 13  1  52 o 39.533   17.354  16.279     23.033  9.3492     34.925  21.613     30.640  39.785  18.846  42.332  19.191  -2.547424      26.89731 
1 1 1 13  1  53 o 58.980   20.148  56.478     24.920  82.589     38.578  37.781     32.645  59.856  24.080  46.191  20.452  13.66515       31.59330 
1 1 1 13  2  0  o 202.895  10.469  362.623    36.961  293.024    50.699  441.573    53.998  181.142 16.201  223.228 13.923  -42.08595      21.36139 
1 1 1 13  2  1  o 491.489  14.697  2135.86    126.130 1916.47    177.832 2357.94    178.921 461.935 22.048  513.688 19.948  -51.75293      29.73263 
1 1 1 13  2  2  o ?        ?       -119.5864  8.3590  -117.6088  10.277  -123.4526  14.369  ?       ?       ?       ?       0.000000       ?        
1 1 1 13  2  3  o ?        ?       -294.0015  8.4670  -243.2698  10.637  -381.7443  13.989  ?       ?       ?       ?       0.000000       ?        
1 1 1 13  2  4  o 167.528  12.162  248.581    35.334  284.799    48.473  207.519    51.613  178.568 15.706  151.042 20.067  27.52547       25.48288 
1 1 1 13  2  5  o 137.355  14.720  168.851    34.753  202.865    40.970  81.590     65.621  150.424 15.836  95.914  32.695  54.51008       36.32874 
1 1 1 13  2  6  o 257.386  17.386  592.556    77.676  553.612    109.388 632.166    110.320 245.182 25.946  262.965 24.301  -17.78316      35.54920 
1 1 1 13  2  7  o 533.466  22.129  2568.29    206.122 2568.29    206.122 0.0000     0.0000  533.466 22.129  ?       ?       0.000000       22.12865 
1 1 1 13  2  8  o 482.839  22.516  2108.66    189.823 2108.66    189.823 0.0000     0.0000  482.839 22.516  ?       ?       0.000000       22.51559 
1 1 1 13  2  9  o 386.300  19.743  1343.27    132.726 1343.27    132.726 0.0000     0.0000  386.300 19.743  ?       ?       0.000000       19.74347 
1 1 1 13  2  10 o ?        ?       -175.0939  10.824  -24.2671   44.505  -184.5759  11.159  50.531  22.993  ?       ?       0.000000       22.99329 
1 1 1 13  2  11 o 202.611  18.678  371.108    65.336  219.107    95.962  502.455    89.205  147.831 37.205  234.526 22.042  -86.69537      43.24454 
1 1 1 13  2  12 o ?        ?       -230.0307  21.869  -266.0366  34.161  -205.0299  28.466  ?       ?       ?       ?       0.000000       ?        
1 1 1 13  2  13 o 61.377   23.520  24.889     35.282  18.643     47.580  32.520     52.589  65.091  26.540  72.384  28.441  -7.293510      38.90106 
1 1 1 13  2  14 o 284.802  14.065  720.696    69.941  667.323    84.754  834.633    123.831 272.033 17.944  300.875 23.765  -28.84271      29.77838 
1 1 1 13  2  15 o 194.834  13.444  338.549    45.456  297.078    54.008  439.286    84.174  181.190 17.281  218.245 22.407  -37.05492      28.29641 
1 1 1 13  2  16 o 66.574   17.895  41.278     21.250  53.897     26.768  19.773     34.944  75.733  19.961  58.662  23.141  17.07073       30.56058 
1 1 1 13  2  17 o 33.564   14.864  -5.2371    17.251  -12.1943   22.625  4.4237     26.661  36.311  16.473  46.432  19.482  -10.12156      25.51308 
1 1 1 13  2  18 o 108.888  13.019  106.840    24.263  118.656    33.073  93.071     35.703  113.602 17.213  99.114  21.267  14.48761       27.35984 
1 1 1 13  2  19 o 201.199  11.618  360.080    40.642  367.434    56.400  352.137    58.616  201.533 16.164  196.802 17.232  4.730820       23.62609 
1 1 1 13  2  20 o 82.811   18.714  64.737     26.422  56.005     39.728  71.663     35.381  77.676  25.419  86.277  23.049  -8.601013      34.31310 
1 1 1 13  2  21 o 215.983  13.692  418.865    51.367  410.237    87.501  423.402    63.451  207.534 24.628  215.561 16.996  -8.027435      29.92290 
1 1 1 13  2  22 o 186.609  13.138  312.854    42.536  314.420    72.164  312.020    52.656  181.816 23.265  184.882 16.484  -3.065552      28.51288 
1 1 1 13  2  23 o 291.870  13.989  765.770    71.289  643.687    122.459 828.353    87.678  255.932 27.853  301.300 16.732  -45.36736      32.49226 
1 1 1 13  2  24 o 192.343  11.458  330.982    38.307  292.546    53.488  371.458    54.888  177.977 17.436  201.720 15.708  -23.74326      23.46775 
1 1 1 13  2  25 f 45.583   16.947  15.363     18.009  -0.2351    24.079  35.163     27.130  41.819  18.057  62.320  21.024  -20.50081      27.71352 
1 1 1 13  2  26 o 101.998  14.079  95.786     24.406  63.742     34.112  129.394    34.934  80.251  23.097  117.282 17.602  -37.03134      29.04027 
1 1 1 13  2  27 o 225.696  13.572  462.912    53.235  431.644    91.043  479.157    65.623  207.913 25.620  227.418 16.641  -19.50510      30.55066 
1 1 1 13  2  28 o 69.431   18.821  46.934     23.388  34.292     39.592  53.710     28.986  64.950  24.908  73.710  21.314  -8.759041      32.78299 
1 1 1 13  2  29 o 177.610  17.159  296.948    52.552  0.0000     0.0000  296.948    52.552  ?       ?       177.610 17.159  0.000000       17.15940 
1 1 1 13  2  30 o 130.865  18.817  165.592    41.760  0.0000     0.0000  165.592    41.760  ?       ?       130.865 18.817  0.000000       18.81713 
1 1 1 13  2  31 o 58.203   22.502  27.191     32.498  0.0000     0.0000  27.191     32.498  ?       ?       58.203  22.502  0.000000       22.50165 
1 1 1 13  2  32 o 127.154  16.527  154.761    35.826  159.644    41.503  140.482    70.965  127.250 19.283  106.340 33.904  20.90999       39.00398 
1 1 1 13  2  33 o 85.218   20.018  74.120     29.279  52.385     34.353  131.827    55.976  70.858  23.659  106.470 29.223  -35.61220      37.59956 
1 1 1 13  2  34 o 64.874   20.542  43.101     26.087  38.513     29.962  57.475     53.033  62.293  22.042  73.578  28.661  -11.28531      36.15689 
1 1 1 13  2  35 o 103.652  19.738  110.276    34.418  112.763    39.915  103.064    67.964  102.202 22.931  88.288  32.904  13.91419       40.10592 
1 1 1 13  2  36 f 228.867  12.588  489.443    50.112  482.372    70.550  496.645    71.193  218.909 18.635  222.336 18.507  -3.427338      26.26320 
1 1 1 13  2  37 o 105.134  16.480  110.269    29.259  103.319    40.656  117.735    42.141  94.695  24.428  101.734 24.095  -7.038895      34.31118 
1 1 1 13  2  38 o 90.328   18.430  85.302     28.083  123.086    40.604  50.651     38.884  104.529 22.881  66.534  24.870  37.99471       33.79446 
1 1 1 13  2  39 o 26.686   13.098  -35.8757   20.949  -16.2960   29.545  -55.6729   29.709  38.045  17.805  30.357  15.030  7.688349       23.30092 
1 1 1 13  2  40 f 66.331   20.455  49.955     26.047  42.662     36.013  57.955     37.717  61.103  23.669  68.220  24.663  -7.117065      34.18339 
1 1 1 13  2  41 o 101.764  19.798  115.116    33.912  97.791     43.075  143.358    54.997  85.145  26.313  99.088  29.553  -13.94230      39.56926 
1 1 1 13  2  42 o 58.048   21.530  39.644     29.031  15.241     37.475  76.271     45.911  49.440  21.901  72.047  27.005  -22.60646      34.76970 
1 1 1 13  2  43 o 93.587   20.035  101.727    31.752  112.642    39.329  81.296     53.809  93.033  24.039  70.027  28.345  23.00520       37.16618 
1 1 1 13  2  44 o 80.043   23.710  86.879     35.490  88.835     48.035  84.527     52.664  73.124  27.580  69.667  28.097  3.457123       39.37132 
1 1 1 13  2  45 o 40.572   17.562  10.130     22.894  54.242     38.688  -13.6435   28.401  60.597  24.207  35.879  16.995  24.71809       29.57771 
1 1 1 13  2  46 o 104.599  18.001  126.385    31.691  137.802    54.431  120.530    38.978  84.672  29.734  92.760  23.913  -8.087204      38.15682 
1 1 1 13  2  47 o 39.196   16.960  10.570     21.337  7.4257     31.977  13.093     28.646  41.998  19.254  42.723  19.025  -0.7247658     27.06773 
1 1 1 13  2  48 o 62.462   19.726  52.332     24.067  51.071     36.294  53.322     32.153  56.135  23.067  58.484  22.443  -2.348408      32.18322 
1 1 1 13  2  49 o 48.658   19.115  31.469     23.750  37.552     33.311  25.179     33.873  50.254  21.459  46.049  20.583  4.205585       29.73489 
1 1 1 13  2  50 o 70.698   20.335  71.158     26.447  52.275     37.730  89.399     37.081  53.412  22.824  69.790  24.540  -16.37833      33.51293 
1 1 1 13  2  51 o 59.341   20.458  54.954     25.710  57.718     36.691  52.288     36.036  54.130  22.791  52.390  22.344  1.739635       31.91691 
1 1 1 13  2  52 o 36.516   16.646  9.0616     23.455  20.179     32.575  -2.9077    33.801  41.458  19.160  36.502  17.620  4.955681       26.03064 
1 1 1 13  2  53 o 31.967   15.134  -2.5582    22.462  6.6033     31.921  -11.5432   31.612  37.118  17.705  33.522  16.376  3.595871       24.11758 
1 1 1 13  3  0  o 453.228  14.637  1817.98    115.835 1687.90    163.941 1947.67    163.690 432.680 21.769  466.324 20.103  -33.64417      29.63209 
1 1 1 13  3  1  o 604.021  17.920  3252.10    188.997 3089.82    267.445 3413.99    267.121 581.870 26.324  612.977 24.957  -31.10730      36.27409 
1 1 1 13  3  2  o 373.579  14.665  1235.94    95.659  1381.79    117.643 951.314    164.339 394.006 17.100  319.621 29.790  74.38486       34.34950 
1 1 1 13  3  3  o 203.490  13.565  367.621    47.920  511.909    60.300  120.318    78.943  240.020 14.456  112.471 35.748  127.5491       38.56031 
1 1 1 13  3  4  o 215.221  12.968  410.595    48.507  434.030    60.183  367.148    81.945  220.528 15.733  199.831 23.963  20.69754       28.66646 
1 1 1 13  3  5  o ?        ?       -425.8378  9.9574  -187.1017  15.119  -608.7380  13.233  ?       ?       ?       ?       0.000000       ?        
1 1 1 13  3  6  o ?        ?       -447.7963  9.4728  -269.1548  13.487  -621.7007  13.307  ?       ?       ?       ?       0.000000       ?        
1 1 1 13  3  7  o 243.917  24.710  548.397    103.786 548.397    103.786 0.0000     0.0000  243.917 24.710  ?       ?       0.000000       24.70984 
1 1 1 13  3  8  o 53.257   23.012  -1.8849    39.166  -1.8849    39.166  0.0000     0.0000  53.257  23.012  ?       ?       0.000000       23.01184 
1 1 1 13  3  9  o 201.912  15.517  364.939    54.287  364.939    54.287  0.0000     0.0000  201.912 15.517  ?       ?       0.000000       15.51691 
1 1 1 13  3  10 o 226.667  15.790  460.132    62.105  460.132    62.105  0.0000     0.0000  226.667 15.790  ?       ?       0.000000       15.79050 
1 1 1 13  3  11 o 90.461   16.954  75.471     25.795  71.095     30.133  87.471     49.900  87.027  20.216  95.656  28.054  -8.628822      34.57888 
1 1 1 13  3  12 o 298.731  12.249  789.880    63.893  730.962    90.618  848.128    90.102  284.440 18.343  307.257 16.859  -22.81723      24.91406 
1 1 1 13  3  13 o 314.056  12.288  873.603    67.386  845.361    95.375  901.753    95.220  306.001 17.929  316.430 17.300  -10.42831      24.91420 
1 1 1 13  3  14 o 77.541   15.991  55.705     20.932  54.266     30.622  56.966     28.677  76.042  21.884  77.738  20.743  -1.695923      30.15208 
1 1 1 13  3  15 o 239.724  11.262  508.440    47.139  499.468    66.726  517.380    66.605  235.371 16.337  239.723 16.004  -4.352188      22.87011 
1 1 1 13  3  16 o 137.570  11.711  168.901    27.863  179.622    39.938  158.734    38.891  140.414 16.611  131.640 17.342  8.773941       24.01413 
1 1 1 13  3  17 o 277.296  11.896  682.488    57.596  644.347    81.612  720.334    81.295  266.310 17.651  282.279 16.566  -15.96951      24.20767 
1 1 1 13  3  18 o 206.171  11.316  378.099    40.582  368.150    57.653  387.870    57.134  201.334 16.546  206.975 15.932  -5.640564      22.96954 
1 1 1 13  3  19 o 42.700   16.565  11.008     17.658  2.7311     22.506  24.264     28.481  42.123  17.798  57.033  21.291  -14.91005      27.75061 
1 1 1 13  3  20 f 45.761   17.918  12.332     20.810  -2.2482    31.421  23.725     27.776  46.988  20.457  56.290  21.024  -9.301830      29.33381 
1 1 1 13  3  21 o 258.464  13.888  601.773    62.448  568.321    106.232 619.437    77.193  242.606 25.457  260.207 17.085  -17.60106      30.65907 
1 1 1 13  3  22 o 190.812  13.690  329.015    45.310  323.179    76.116  332.218    56.388  182.607 24.489  189.921 17.190  -7.313583      29.92058 
1 1 1 13  3  23 o 166.755  13.386  251.762    38.648  255.661    64.774  249.606    48.160  162.307 23.543  164.252 17.040  -1.944382      29.06285 
1 1 1 13  3  24 o 137.672  11.752  170.864    27.979  143.792    38.446  201.342    40.793  123.408 18.405  147.595 16.090  -24.18748      24.44643 
1 1 1 13  3  25 o 72.780   18.609  51.251     23.741  42.734     38.913  56.300     29.964  69.081  25.039  75.667  21.608  -6.586952      33.07376 
1 1 1 13  3  26 f 94.659   17.405  85.462     27.708  73.390     48.911  91.167     33.623  84.545  28.230  96.355  20.609  -11.81021      34.95205 
1 1 1 13  3  27 f 51.253   19.392  19.989     23.793  -2.1168    43.553  29.393     28.407  53.520  23.664  58.543  21.367  -5.023731      31.88306 
1 1 1 13  3  28 o 75.518   20.328  56.884     27.398  55.159     49.157  57.662     32.999  75.408  28.007  75.453  22.980  -0.4582214E-01 36.22782 
1 1 1 13  3  29 o 99.014   18.141  95.409     30.207  149.621    58.868  76.033     35.194  116.243 29.077  85.752  23.021  30.49157       37.08694 
1 1 1 13  3  30 o 56.697   18.435  30.697     20.908  30.292     28.034  31.205     31.387  58.153  21.226  59.651  22.335  -1.497185      30.81228 
1 1 1 13  3  31 o 66.585   19.031  44.512     23.233  26.998     32.375  63.105     33.359  57.557  22.401  77.441  22.998  -19.88401      32.10476 
1 1 1 13  3  32 o 76.692   20.009  60.489     27.076  46.528     32.939  89.574     47.544  67.327  23.159  88.327  27.701  -21.00025      36.10699 
1 1 1 13  3  33 o 99.830   17.935  99.391     30.114  109.459    38.099  82.627     49.161  101.747 22.079  83.764  28.300  17.98326       35.89435 
1 1 1 13  3  34 o 109.597  20.843  125.543    38.429  148.133    51.991  98.339     57.054  113.348 26.708  87.971  30.467  25.37667       40.51603 
1 1 1 13  3  35 o 122.858  20.031  156.974    41.489  200.005    56.503  106.630    61.116  133.018 25.251  88.884  31.478  44.13403       40.35446 
1 1 1 13  3  36 o 46.949   18.642  16.979     22.816  9.0481     37.702  21.562     28.660  50.525  22.191  51.633  20.761  -1.108849      30.38845 
1 1 1 13  3  37 o 202.857  14.460  399.708    50.884  364.198    87.927  417.589    62.393  166.099 31.470  202.141 17.861  -36.04225      36.18495 
1 1 1 13  3  38 o 77.978   22.515  71.154     32.367  64.626     38.943  85.740     58.209  72.046  25.158  76.969  30.015  -4.922829      39.16405 
1 1 1 13  3  39 o 77.015   22.394  70.682     31.919  58.650     38.251  98.266     57.920  68.207  24.810  79.869  30.246  -11.66191      39.11973 
1 1 1 13  3  40 o 125.937  21.926  183.783    46.462  183.783    46.462  0.0000     0.0000  125.937 21.926  ?       ?       0.000000       21.92591 
1 1 1 13  3  41 o 46.490   20.467  11.940     32.237  11.940     32.237  0.0000     0.0000  46.490  20.467  ?       ?       0.000000       20.46674 
1 1 1 13  3  42 o 76.809   21.861  73.950     30.724  90.062     39.055  47.790     49.766  80.363  25.091  59.732  25.874  20.63101       36.04235 
1 1 1 13  3  43 o 57.116   21.313  41.061     28.533  30.245     36.410  58.276     45.934  52.397  22.406  61.973  25.753  -9.576286      34.13579 
1 1 1 13  3  44 o 88.287   21.662  99.598     33.142  154.659    53.252  64.787     42.342  95.792  29.196  63.753  25.371  32.03870       38.67920 
1 1 1 13  3  45 o 39.782   18.069  4.1529     27.328  -5.0723    42.576  10.617     35.639  43.063  20.515  44.557  20.390  -1.494595      28.92481 
1 1 1 13  3  46 o 58.824   21.566  49.486     28.984  98.797     48.037  21.255     36.346  71.159  27.400  46.905  21.115  24.25436       34.59244 
1 1 1 13  3  47 o 41.735   17.952  15.931     23.619  4.7274     33.034  27.650     33.784  40.890  19.034  47.706  20.978  -6.816151      28.32625 
1 1 1 13  3  48 o 37.863   16.985  7.8994     23.284  -1.5041    32.786  17.469     33.074  38.649  18.294  43.581  19.827  -4.932735      26.97752 
1 1 1 13  3  49 o 40.485   17.507  16.418     22.706  20.343     30.684  11.667     33.758  43.219  19.434  41.301  19.231  1.917248       27.34038 
1 1 1 13  3  50 o 33.998   15.566  2.9831     20.806  16.031     25.421  -23.4897   36.209  40.137  17.894  34.537  17.003  5.600407       24.68423 
1 1 1 13  3  51 o 42.509   17.854  24.327     22.429  19.345     29.553  31.095     34.446  40.927  18.667  44.463  20.231  -3.536724      27.52727 
1 1 1 13  3  52 o 31.604   14.738  0.1246     19.951  -3.3326    25.538  5.5397     31.961  33.033  15.779  36.892  17.630  -3.858582      23.66030 
1 1 1 13  4  0  o 171.087  16.050  262.610    47.386  235.195    67.385  289.430    66.650  158.756 25.147  177.711 21.946  -18.95494      33.37640 
1 1 1 13  4  1  o 28.419   13.570  -25.0264   18.857  -25.5602   27.094  -24.5250   26.261  36.553  17.089  36.069  16.850  0.4836960      23.99948 
1 1 1 13  4  2  o 29.716   14.082  -23.0906   19.540  -5.5759    28.022  -39.6682   27.262  43.722  19.169  33.264  15.998  10.45759       24.96755 
1 1 1 13  4  3  o 280.646  13.859  698.201    67.914  665.767    83.416  761.972    116.966 272.249 17.643  288.328 23.436  -16.07983      29.33448 
1 1 1 13  4  4  o 198.678  12.817  350.658    44.226  340.988    54.512  369.280    75.651  194.921 16.162  200.681 21.948  -5.759201      27.25651 
1 1 1 13  4  5  o 95.597   14.989  83.134     24.196  91.050     29.060  65.242     43.690  99.526  17.353  84.074  26.581  15.45203       31.74376 
1 1 1 13  4  6  o 107.314  14.431  104.091    26.355  98.218     31.704  117.226    47.415  103.170 18.268  110.870 25.079  -7.700188      31.02725 
1 1 1 13  4  7  o 113.515  11.575  114.987    22.621  85.221     31.789  145.523    32.198  95.522  19.713  127.057 14.790  -31.53500      24.64467 
1 1 1 13  4  8  o 40.073   15.403  9.7738     15.160  21.994     16.903  -40.4845   34.280  50.488  16.584  39.009  18.534  11.47892       24.87020 
1 1 1 13  4  9  o 130.528  13.199  152.703    29.668  161.429    35.378  132.022    54.463  133.623 15.448  116.753 27.218  16.86927       31.29611 
1 1 1 13  4  10 o 50.216   17.530  20.488     18.907  26.536     21.628  0.8870     38.936  55.720  18.771  53.718  23.076  2.002380       29.74658 
1 1 1 13  4  11 o 125.355  13.673  141.415    29.441  140.828    35.125  142.803    53.985  124.229 16.609  121.594 26.200  2.634972       31.02094 
1 1 1 13  4  12 o 65.534   15.511  39.968     17.473  28.370     24.055  52.921     25.421  57.801  19.795  74.949  19.307  -17.14836      27.65135 
1 1 1 13  4  13 o 31.172   13.456  -1.1336    13.365  10.916     20.361  -10.2563   17.716  44.803  17.667  31.917  14.517  12.88526       22.86676 
1 1 1 13  4  14 o 239.199  11.422  507.371    47.707  524.649    68.342  490.948    66.627  240.793 16.352  232.826 16.496  7.966782       23.22691 
1 1 1 13  4  15 o 222.842  11.480  441.907    44.518  447.847    63.758  436.256    62.186  222.099 16.560  219.293 16.358  2.806091       23.27733 
1 1 1 13  4  16 o 109.904  12.361  108.881    23.310  122.667    34.540  97.351     31.588  114.945 17.784  101.925 18.427  13.02007       25.60913 
1 1 1 13  4  17 o 161.408  11.271  232.614    31.565  247.417    45.348  218.700    43.965  164.699 15.970  154.516 16.553  10.18259       23.00083 
1 1 1 13  4  18 o 102.864  13.313  96.279     23.350  113.459    36.828  84.729     30.196  109.300 20.036  94.513  18.957  14.78656       27.58251 
1 1 1 13  4  19 o 293.472  11.980  769.267    61.390  829.592    87.835  711.654    85.837  301.117 16.772  278.051 17.773  23.06671       24.43779 
1 1 1 13  4  20 o 76.270   16.101  54.834     20.769  49.749     30.964  58.992     28.003  72.056  22.316  78.050  20.341  -5.993408      30.19556 
1 1 1 13  4  21 f 196.826  16.005  356.016    54.529  0.0000     0.0000  356.016    54.529  ?       ?       196.826 16.005  0.000000       16.00511 
1 1 1 13  4  22 o 73.000   26.091  49.187     42.080  0.0000     0.0000  49.187     42.080  ?       ?       73.000  26.091  0.000000       26.09088 
1 1 1 13  4  23 f 60.410   24.222  23.655     38.891  0.0000     0.0000  23.655     38.891  ?       ?       60.410  24.222  0.000000       24.22191 
1 1 1 13  4  24 o 83.757   20.354  69.287     29.475  90.320     53.179  59.960     35.411  92.009  29.351  77.281  23.853  14.72807       37.82103 
1 1 1 13  4  25 o 122.723  16.668  142.264    34.792  130.737    62.662  147.401    41.833  107.955 31.373  122.890 20.198  -14.93501      37.31259 
1 1 1 13  4  26 o 39.490   17.436  -3.5689    23.563  26.871     47.534  -13.4852   27.131  64.025  26.364  38.974  17.819  25.05091       31.82124 
1 1 1 13  4  27 o 55.780   18.060  29.452     20.077  24.818     26.897  35.282     30.170  54.895  20.652  61.729  22.089  -6.833855      30.23965 
1 1 1 13  4  28 o 26.870   12.901  -23.3387   17.557  -43.8405   24.351  -1.1441    25.337  28.932  14.184  41.571  18.227  -12.63918      23.09523 
1 1 1 13  4  29 o 78.051   16.900  59.876     22.365  56.418     31.177  63.542     32.102  73.583  22.320  77.843  22.408  -4.260208      31.62721 
1 1 1 13  4  30 o 145.786  12.555  196.927    31.648  192.030    43.721  202.318    45.870  139.541 18.392  142.874 18.847  -3.333038      26.33411 
1 1 1 13  4  31 o 75.764   18.003  58.072     23.464  69.110     31.889  45.042     34.648  80.380  22.055  66.109  23.670  14.27062       32.35255 
1 1 1 13  4  32 o 123.506  19.488  155.661    40.633  155.661    40.633  0.0000     0.0000  123.506 19.488  ?       ?       0.000000       19.48825 
1 1 1 13  4  33 o 62.898   20.864  41.662     26.731  27.181     32.141  74.153     48.143  55.859  22.143  78.057  27.907  -22.19826      35.62458 
1 1 1 13  4  34 o 91.677   18.904  87.776     29.256  93.932     35.574  74.912     51.424  91.881  22.381  76.874  28.627  15.00706       36.33728 
1 1 1 13  4  35 o 89.316   16.421  80.850     24.666  58.777     36.016  100.348    33.850  70.642  24.221  95.894  20.814  -25.25244      31.93575 
1 1 1 13  4  36 o 45.414   18.165  16.127     21.816  -15.7346   32.179  43.227     29.677  39.825  18.621  62.103  21.941  -22.27776      28.77760 
1 1 1 13  4  37 o 26.565   12.951  -29.4534   19.490  -26.3844   29.757  -31.7591   25.793  35.474  16.969  31.450  15.232  4.024172       22.80300 
1 1 1 13  4  38 o 76.780   23.714  74.212     34.994  103.602    50.170  46.369     48.834  83.910  28.588  62.000  26.209  21.90959       38.78395 
1 1 1 13  4  39 f 136.449  16.684  195.737    38.923  206.930    48.945  176.482    64.196  132.909 21.850  103.501 32.145  29.40800       38.86801 
1 1 1 13  4  40 o 66.238   23.983  59.335     35.687  49.483     48.525  70.939     52.666  60.627  25.895  67.017  27.690  -6.390438      37.91106 
1 1 1 13  4  41 o 101.825  22.224  129.021    38.404  116.834    52.533  143.012    56.285  82.568  29.190  90.914  30.281  -8.346802      42.05924 
1 1 1 13  4  42 o 54.975   20.095  37.217     25.137  48.249     39.930  29.976     32.352  58.310  24.103  51.320  21.493  6.989689       32.29395 
1 1 1 13  4  43 o 62.299   20.285  50.190     25.312  50.921     42.085  49.775     31.683  57.854  24.386  59.445  22.404  -1.591175      33.11545 
1 1 1 13  4  44 o 48.750   20.850  27.619     31.539  46.774     47.672  12.709     42.059  54.882  24.483  46.131  21.475  8.751381       32.56678 
1 1 1 13  4  45 o 36.114   17.315  -14.2872   31.380  -13.6489   39.313  -15.4082   52.093  39.399  19.015  42.734  20.907  -3.335457      28.26054 
1 1 1 13  4  46 o 65.042   25.431  81.393     41.873  129.792    52.203  -5.9334    70.121  76.421  28.767  45.749  22.727  30.67154       36.66114 
1 1 1 13  4  47 o 42.124   18.248  18.607     24.756  0.5326     36.467  34.058     33.716  39.835  18.980  48.332  21.112  -8.497204      28.38952 
1 1 1 13  4  48 o 41.051   17.867  18.057     23.954  28.727     33.803  7.2931     33.949  45.535  20.443  39.882  18.797  5.652943       27.77102 
1 1 1 13  4  49 o 37.736   16.800  12.341     22.324  -7.6055    27.518  50.734     38.178  33.776  16.199  50.456  22.240  -16.68044      27.51421 
1 1 1 13  4  50 o 35.120   15.981  7.6891     21.500  -1.7964    27.752  21.929     34.003  34.558  16.491  41.504  19.317  -6.945618      25.39885 
1 1 1 13  5  0  o 80.423   13.551  58.917     18.352  48.649     24.096  73.100     28.320  72.150  18.901  88.477  18.906  -16.32617      26.73320 
1 1 1 13  5  1  o 235.728  12.216  493.240    50.107  467.644    61.113  545.744    87.525  228.400 15.414  244.338 20.710  -15.93808      25.81695 
1 1 1 13  5  2  o 154.839  10.790  212.667    28.989  220.657    40.606  204.362    41.399  156.598 15.035  150.350 16.016  6.247757       21.96788 
1 1 1 13  5  3  o 259.110  12.336  595.035    55.812  440.043    93.462  680.939    69.580  216.589 25.184  276.048 14.486  -59.45918      29.05289 
1 1 1 13  5  4  o 166.863  11.191  247.263    32.415  229.528    46.380  264.199    45.323  158.994 16.969  171.279 15.316  -12.28529      22.85889 
1 1 1 13  5  5  o 236.139  11.238  493.314    46.336  531.198    66.765  458.111    64.358  243.000 15.822  225.313 16.473  17.68750       22.84051 
1 1 1 13  5  6  o 167.948  11.280  250.747    32.887  244.950    46.712  256.443    46.310  164.328 16.503  168.379 15.941  -4.050934      22.94502 
1 1 1 13  5  7  o 190.527  11.200  322.470    37.094  316.997    52.594  327.886    52.325  187.134 16.258  190.498 15.876  -3.364258      22.72316 
1 1 1 13  5  8  o 155.714  13.307  217.553    35.833  246.051    43.911  160.743    61.998  164.930 15.427  127.605 28.541  37.32567       32.44329 
1 1 1 13  5  9  f 305.220  14.298  833.640    76.199  833.056    93.242  834.816    132.217 302.688 17.719  296.557 25.791  6.131226       31.29121 
1 1 1 13  5  10 o 210.232  13.085  395.699    47.794  401.042    58.466  384.937    82.977  210.353 16.039  201.573 24.050  8.779663       28.90803 
1 1 1 13  5  11 f 201.903  12.919  365.177    45.305  348.477    55.116  399.967    79.553  195.764 16.272  206.263 22.451  -10.49884      27.72799 
1 1 1 13  5  12 o 284.823  11.944  722.321    59.399  719.253    83.506  725.463    84.508  280.900 17.107  282.017 17.244  -1.117981      24.29044 
1 1 1 13  5  13 o 89.613   14.396  73.867     21.763  91.611     29.844  53.714     31.805  98.796  17.962  74.981  22.499  23.81467       28.78984 
1 1 1 13  5  14 o 207.307  11.319  383.676    40.817  404.099    57.382  362.758    58.073  210.651 15.714  198.897 16.881  11.75417       23.06301 
1 1 1 13  5  15 o 98.595   13.321  88.737     22.346  130.308    31.491  46.575     31.713  118.983 15.528  70.374  22.689  48.60948       27.49343 
1 1 1 13  5  16 o 150.173  11.574  202.513    30.115  214.870    41.403  188.632    43.882  152.971 15.725  142.113 18.095  10.85808       23.97295 
1 1 1 13  5  17 o 140.209  13.896  179.167    33.570  182.317    59.362  177.685    40.705  134.766 26.170  138.091 17.258  -3.325897      31.34880 
1 1 1 13  5  18 o 47.625   17.968  16.459     20.391  7.9350     38.221  19.851     24.108  54.369  23.096  51.727  19.532  2.642197       30.24728 
1 1 1 13  5  19 o 97.198   16.625  89.130     27.202  67.082     48.323  99.358     32.912  81.971  28.056  101.551 19.266  -19.58048      34.03436 
1 1 1 13  5  20 o 46.278   18.331  12.794     22.009  0.0000     0.0000  12.794     22.009  ?       ?       46.278  18.331  0.000000       18.33064 
1 1 1 13  5  21 o 131.053  16.890  161.872    37.749  0.0000     0.0000  161.872    37.749  ?       ?       131.053 16.890  0.000000       16.88958 
1 1 1 13  5  22 f 96.334   19.273  90.831     31.286  0.0000     0.0000  90.831     31.286  ?       ?       96.334  19.273  0.000000       19.27279 
1 1 1 13  5  23 o 138.535  13.574  177.072    32.413  209.877    60.331  163.760    38.431  142.464 25.174  131.105 17.203  11.35957       30.49084 
1 1 1 13  5  24 o 30.048   13.646  -7.6909    15.578  8.6673     24.352  -19.0215   20.267  45.214  18.767  30.998  14.584  14.21560       23.76704 
1 1 1 13  5  25 o 59.168   17.457  34.186     19.271  15.053     31.063  46.158     24.571  51.817  21.322  67.833  19.626  -16.01577      28.97968 
1 1 1 13  5  26 o 53.533   17.356  27.311     18.539  29.762     27.994  25.397     24.743  57.489  21.176  53.948  19.903  3.540943       29.06140 
1 1 1 13  5  27 o 79.125   15.857  61.049     21.145  65.019     30.915  57.559     28.986  78.619  21.774  74.265  21.267  4.354271       30.43682 
1 1 1 13  5  28 o 88.154   15.292  75.279     22.684  65.886     32.390  84.320     31.779  78.329  22.496  90.013  20.657  -11.68438      30.54190 
1 1 1 13  5  29 o 110.026  13.595  114.766    25.563  102.985    36.186  126.502    36.118  98.491  21.633  111.471 19.253  -12.97987      28.95963 
1 1 1 13  5  30 o 96.735   15.728  91.909     25.652  87.144     34.471  97.823     38.402  89.384  22.190  93.707  23.509  -4.322945      32.32778 
1 1 1 13  5  31 o 103.729  18.143  109.983    31.663  134.301    37.709  51.854     58.302  113.353 19.772  69.187  28.904  44.16584       35.01941 
1 1 1 13  5  32 o 61.127   20.114  39.890     24.863  45.898     28.769  22.161     49.418  64.613  21.650  58.132  25.472  6.481358       33.42973 
1 1 1 13  5  33 o 39.081   16.920  3.6965     21.258  -9.6273    25.051  37.979     40.184  36.883  16.958  60.623  24.510  -23.74034      29.80469 
1 1 1 13  5  34 o 79.527   20.373  70.733     28.416  87.432     33.206  25.058     54.918  87.278  21.842  58.516  26.179  28.76163       34.09380 
1 1 1 13  5  35 o 84.409   17.237  75.281     24.545  72.760     33.347  78.262     36.260  77.355  22.999  79.085  24.089  -1.730301      33.30526 
1 1 1 13  5  36 o 139.818  15.305  198.794    36.755  230.331    44.992  135.520    63.730  146.920 17.909  88.912  32.072  58.00803       36.73353 
1 1 1 13  5  37 o 83.037   19.507  78.711     27.802  57.631     33.759  123.150    49.015  66.655  23.416  91.571  28.030  -24.91543      36.52383 
1 1 1 13  5  38 o 41.103   17.619  9.8111     22.610  12.139     27.725  5.1884     39.066  44.309  19.253  46.331  21.256  -2.022060      28.67890 
1 1 1 13  5  39 o 24.485   12.083  -33.0785   18.643  -42.7148   22.493  -11.9281   33.323  26.043  12.926  39.292  18.551  -13.24947      22.61007 
1 1 1 13  5  40 o 72.635   17.853  60.986     22.482  48.674     30.680  75.266     33.041  59.974  22.155  73.799  23.084  -13.82527      31.99598 
1 1 1 13  5  41 o 53.773   18.411  35.018     20.809  34.694     28.741  35.376     30.169  52.386  20.885  52.642  21.254  -0.2559013     29.79747 
1 1 1 13  5  42 o 65.375   18.672  53.069     22.372  27.938     31.695  78.021     31.583  48.800  20.888  74.238  22.453  -25.43802      30.66627 
1 1 1 13  5  43 o 41.373   17.617  15.427     22.338  17.844     36.547  13.986     28.224  45.448  20.741  42.443  18.893  3.005787       28.05586 
1 1 1 13  5  44 o 39.151   16.957  12.269     21.368  30.246     36.903  3.2019     26.208  48.111  21.496  37.691  17.335  10.42076       27.61509 
1 1 1 13  5  45 o 38.672   17.050  11.522     22.454  -13.9701   42.420  21.444     26.466  38.933  19.008  43.507  18.858  -4.574421      26.77551 
1 1 1 13  5  46 o 44.243   18.392  25.268     23.438  38.707     43.606  19.808     27.795  47.961  22.167  42.278  18.788  5.682899       29.05783 
1 1 1 13  5  47 o 37.101   16.669  10.430     22.518  20.867     36.691  4.1226     28.522  42.570  19.897  36.976  17.365  5.593704       26.40940 
1 1 1 13  5  48 o 63.660   21.036  67.688     27.183  21.411     45.055  94.174     34.086  42.094  20.326  70.405  23.566  -28.31095      31.12056 
1 1 1 13  6  0  o 303.924  12.066  821.075    64.031  822.532    90.393  819.607    90.716  300.951 17.274  300.348 17.372  0.6024170      24.49883 
1 1 1 13  6  1  o 116.618  11.137  121.651    22.402  131.050    32.322  112.962    31.077  119.675 15.859  110.735 16.583  8.939873       22.94543 
1 1 1 13  6  2  f 227.247  11.330  458.420    44.957  455.535    64.511  461.143    62.686  223.866 16.622  225.561 16.021  -1.695023      23.08600 
1 1 1 13  6  3  o 195.990  10.770  341.560    36.717  385.681    53.230  301.515    50.712  206.654 14.851  182.047 16.120  24.60689       21.91843 
1 1 1 13  6  4  o 121.799  11.374  132.910    23.908  148.122    35.582  120.390    32.281  126.971 16.435  114.197 16.681  12.77457       23.41764 
1 1 1 13  6  5  o 162.679  10.966  236.008    30.966  263.537    44.951  211.143    42.720  170.317 15.278  151.866 16.369  18.45105       22.39097 
1 1 1 13  6  6  o 113.357  13.238  116.504    25.709  145.009    48.371  105.281    30.351  122.360 23.495  106.459 16.892  15.90083       28.93690 
1 1 1 13  6  7  o 43.104   15.707  14.095     15.341  23.038     22.943  6.8631     20.632  53.460  19.249  42.505  17.420  10.95577       25.96100 
1 1 1 13  6  8  o 102.556  14.565  96.579     25.348  106.808    31.850  78.903     41.866  106.781 17.703  89.165  25.567  17.61589       31.09743 
1 1 1 13  6  9  o 44.043   17.258  11.503     19.315  10.179     24.518  13.670     31.360  47.017  19.098  53.019  21.574  -6.001545      28.81250 
1 1 1 13  6  10 o 40.883   17.323  2.5819     21.417  43.814     30.988  -35.1252   29.633  68.471  22.452  35.877  17.098  32.59439       28.22137 
1 1 1 13  6  11 o 173.288  16.358  276.739    48.910  298.137    69.183  255.358    69.156  175.525 23.137  160.645 25.507  14.88007       34.43764 
1 1 1 13  6  12 o 155.032  13.362  218.264    35.818  275.539    64.782  193.046    42.986  168.759 22.549  143.780 17.482  24.97902       28.53213 
1 1 1 13  6  13 o 205.144  13.207  381.366    47.054  454.180    83.225  347.155    57.047  216.960 22.286  193.337 17.074  23.62318       28.07458 
1 1 1 13  6  14 o 138.661  13.674  175.791    32.675  194.942    59.902  167.679    38.986  138.878 25.647  133.743 17.085  5.134949       30.81690 
1 1 1 13  6  15 o 167.121  13.513  254.920    39.094  222.819    69.932  269.513    47.150  145.967 28.461  170.389 16.037  -24.42220      32.66793 
1 1 1 13  6  16 f 43.296   17.142  11.021     19.240  12.036     40.145  10.718     21.922  56.278  23.775  45.000  18.135  11.27853       29.90212 
1 1 1 13  6  17 o 162.907  13.437  243.178    37.880  308.945    68.532  214.246    45.455  176.508 22.767  150.317 17.655  26.19147       28.81027 
1 1 1 13  6  18 o 169.756  11.008  260.321    32.454  249.231    45.535  271.771    46.267  162.950 16.220  170.572 15.711  -7.621307      22.58141 
1 1 1 13  6  19 o 121.467  12.677  135.621    26.491  133.679    37.439  137.568    37.488  117.146 18.951  119.058 18.645  -1.911674      26.58517 
1 1 1 13  6  20 o 135.399  13.291  169.446    31.016  185.890    51.920  160.322    38.676  135.158 22.812  129.057 17.624  6.101517       28.82725 
1 1 1 13  6  21 o 35.352   15.526  -2.1621    18.454  -21.6849   36.532  4.5264     21.383  43.252  20.094  40.962  17.331  2.289707       26.53555 
1 1 1 13  6  22 o 141.581  14.112  187.666    34.421  233.763    59.696  164.708    42.129  149.882 23.590  128.928 19.308  20.95395       30.48462 
1 1 1 13  6  23 o 75.463   19.229  57.975     25.410  51.888     47.309  60.443     30.123  71.324  27.258  75.936  21.658  -4.612686      34.81469 
1 1 1 13  6  24 o 113.430  14.829  122.851    28.667  170.684    50.933  100.674    34.681  126.120 24.006  98.585  20.801  27.53564       31.76443 
1 1 1 13  6  25 o 23.861   11.530  -21.2761   14.567  -26.9498   22.699  -17.3036   18.994  30.769  14.746  29.883  14.077  0.8861771      20.38605 
1 1 1 13  6  26 f 78.997   15.536  61.491     20.665  58.128     30.590  64.315     28.028  73.141  22.092  77.909  20.373  -4.767967      30.05165 
1 1 1 13  6  27 o 61.459   16.101  38.088     17.486  60.573     26.340  20.372     23.381  75.582  19.743  49.348  19.084  26.23364       27.45847 
1 1 1 13  6  28 o 54.530   16.240  30.013     16.617  17.169     24.296  41.302     22.777  47.736  19.143  62.572  19.100  -14.83520      27.04193 
1 1 1 13  6  29 o 65.123   16.752  43.806     19.157  54.447     28.774  35.333     25.675  69.753  21.497  58.052  20.419  11.70065       29.64941 
1 1 1 13  6  30 o 25.758   12.289  -17.0881   15.395  0.6907     24.418  -28.8184   19.834  39.931  17.684  27.179  13.209  12.75240       22.07228 
1 1 1 13  6  31 o 62.527   18.649  42.557     21.900  50.315     27.500  29.107     36.209  66.336  21.100  55.610  22.966  10.72570       31.18795 
1 1 1 13  6  32 o 81.902   21.673  78.542     31.476  78.542     31.476  0.0000     0.0000  81.902  21.673  ?       ?       0.000000       21.67310 
1 1 1 13  6  33 o 61.754   21.281  45.026     27.821  45.026     27.821  0.0000     0.0000  61.754  21.281  ?       ?       0.000000       21.28142 
1 1 1 13  6  34 o 50.045   18.986  26.096     22.848  34.556     27.706  8.1131     40.394  55.171  20.913  48.185  21.918  6.985352       30.29440 
1 1 1 13  6  35 o 54.676   19.567  34.467     23.675  32.182     28.495  39.559     42.541  53.359  20.946  57.151  24.324  -3.792343      32.09910 
1 1 1 13  6  36 o 44.589   18.985  15.511     25.937  15.511     25.937  0.0000     0.0000  44.589  18.985  ?       ?       0.000000       18.98531 
1 1 1 13  6  37 o 138.555  15.220  203.102    36.214  180.315    43.596  253.827    65.046  121.074 21.405  126.704 29.886  -5.629982      36.76056 
1 1 1 13  6  38 o 86.857   16.866  84.723     24.657  82.229     32.426  88.142     37.965  77.601  22.573  76.268  24.844  1.332108       33.56742 
1 1 1 13  6  39 o 35.688   15.707  4.8802     18.976  12.119     23.583  -8.4161    31.962  40.964  17.778  38.229  18.085  2.735241       25.35995 
1 1 1 13  6  40 o 46.967   18.241  26.083     21.433  24.487     27.075  28.762     35.077  46.507  19.579  48.806  21.421  -2.299042      29.02073 
1 1 1 13  6  41 o 39.184   16.669  12.980     19.963  1.2385     24.357  37.007     34.843  36.452  16.746  50.720  21.810  -14.26846      27.49696 
1 1 1 13  6  42 o 41.476   17.686  17.412     22.572  3.5835     31.910  31.258     31.932  39.500  18.492  47.840  20.724  -8.339699      27.77533 
1 1 1 13  6  43 o 38.956   17.097  13.019     22.342  2.3006     31.183  24.325     32.026  38.331  18.051  44.601  19.969  -6.269753      26.91850 
1 1 1 13  6  44 o 47.402   19.399  33.207     25.539  54.075     38.651  17.035     34.025  52.259  22.720  41.860  19.429  10.39881       29.89436 
1 1 1 13  6  45 f 47.116   20.099  36.577     29.171  40.552     33.357  23.655     60.148  47.737  20.922  43.705  21.592  4.032406       30.06585 
1 1 1 13  6  46 o 36.638   17.028  8.8478     26.271  26.264     29.300  -62.5666   59.332  42.306  19.010  35.337  17.963  6.969917       26.15448 
1 1 1 13  7  0  o 260.305  13.448  611.880    60.916  623.337    106.299 606.277    74.332  253.517 24.312  256.848 16.664  -3.330505      29.47491 
1 1 1 13  7  1  f 298.901  17.828  827.026    92.624  835.594    130.958 818.449    131.022 291.378 26.014  287.939 26.353  3.439148       37.02944 
1 1 1 13  7  2  o 238.870  16.581  525.486    68.729  539.473    97.364  511.594    97.031  235.547 24.009  228.680 24.693  6.866913       34.44055 
1 1 1 13  7  3  o 156.034  11.953  219.467    32.317  227.365    58.662  216.026    38.723  152.958 22.649  153.619 14.613  -0.6610413     26.95409 
1 1 1 13  7  4  o 144.957  12.497  190.283    31.321  219.407    56.605  177.430    37.603  150.311 22.239  138.452 15.840  11.85884       27.30303 
1 1 1 13  7  5  o 77.085   15.696  56.168     20.409  12.909     41.746  69.754     23.395  57.855  24.332  85.942  16.184  -28.08673      29.22283 
1 1 1 13  7  6  o 72.198   17.377  50.120     21.642  71.382     42.298  42.580     25.188  83.818  26.103  66.477  20.039  17.34061       32.90775 
1 1 1 13  7  7  o 167.001  12.888  253.466    37.291  290.635    68.193  237.609    44.541  171.696 23.353  159.877 16.178  11.81882       28.40911 
1 1 1 13  7  8  o 69.544   21.181  47.293     28.035  41.394     40.322  52.813     39.006  68.359  25.370  73.651  25.207  -5.292458      35.76360 
1 1 1 13  7  9  o 171.343  16.562  274.467    48.931  302.809    69.799  247.079    68.613  174.527 23.502  155.185 26.258  19.34158       35.23994 
1 1 1 13  7  10 o 107.997  15.208  109.163    27.884  109.048    35.797  109.341    44.467  105.405 20.185  102.707 25.025  2.697533       32.15150 
1 1 1 13  7  11 o 46.102   16.335  17.892     16.460  14.585     27.158  19.812     20.693  50.061  20.181  49.493  18.210  0.5677643      27.18285 
1 1 1 13  7  12 o 72.393   16.156  50.516     19.904  69.686     30.751  36.693     26.113  83.128  21.138  61.995  20.624  21.13254       29.53246 
1 1 1 13  7  13 o 58.718   16.951  33.333     18.347  59.893     27.793  12.817     24.426  77.190  20.337  47.369  19.124  29.82033       27.91635 
1 1 1 13  7  14 o 44.647   17.386  13.563     19.511  17.399     39.690  12.341     22.405  57.066  23.845  45.766  18.372  11.29978       30.10198 
1 1 1 13  7  15 o 83.195   14.401  65.642     20.162  82.843     29.357  50.285     27.738  91.284  19.035  70.394  20.986  20.88957       28.33294 
1 1 1 13  7  16 f 107.766  12.483  107.530    23.053  107.950    32.740  107.117    32.466  104.553 18.617  104.199 18.523  0.3546295      26.26187 
1 1 1 13  7  17 o 141.131  11.545  182.576    28.201  178.603    39.912  186.537    39.852  135.780 17.222  139.163 16.736  -3.382965      24.01446 
1 1 1 13  7  18 o 74.854   15.201  54.374     19.190  52.448     25.848  56.739     28.644  71.431  19.955  73.763  21.147  -2.332039      29.07573 
1 1 1 13  7  19 o 136.419  13.294  174.292    31.265  127.802    51.043  202.206    39.552  105.323 27.470  145.003 15.882  -39.68000      31.73033 
1 1 1 13  7  20 o 137.841  13.730  179.343    32.606  165.398    54.405  187.160    40.731  120.841 26.513  137.937 17.292  -17.09534      31.65349 
1 1 1 13  7  21 o 42.591   16.268  14.034     16.845  16.034     26.219  12.628     21.983  48.661  19.755  44.708  18.110  3.953209       26.79974 
1 1 1 13  7  22 o 53.621   17.742  28.449     19.334  31.713     32.367  26.638     24.108  58.112  22.459  53.334  19.651  4.778751       29.84230 
1 1 1 13  7  23 o 47.694   15.999  21.814     15.711  35.587     20.638  2.8301     24.230  58.771  18.222  41.216  17.954  17.55477       25.58037 
1 1 1 13  7  24 o 65.937   16.588  44.563     19.081  35.084     26.135  55.384     27.925  58.174  20.586  70.901  21.038  -12.72675      29.43480 
1 1 1 13  7  25 o 40.627   16.017  12.057     16.732  21.282     22.537  0.7273     24.975  48.902  18.783  40.487  17.910  8.415051       25.95325 
1 1 1 13  7  26 o 58.849   17.760  36.629     19.776  28.198     28.422  44.542     27.534  53.939  20.990  63.123  21.180  -9.184269      29.81935 
1 1 1 13  7  27 o 29.634   13.602  -7.6432    16.024  -9.3793    22.524  -5.8641    22.801  34.763  16.019  36.159  16.455  -1.396675      22.96489 
1 1 1 13  7  28 o 59.616   18.928  39.239     22.136  32.529     27.619  51.291     37.016  55.193  20.890  64.559  24.239  -9.365685      31.99857 
1 1 1 13  7  29 o 77.888   18.826  67.419     25.319  72.239     31.854  59.149     41.722  77.002  22.366  66.687  25.571  10.31475       33.97218 
1 1 1 13  7  30 o 55.415   20.768  34.805     27.151  34.805     27.151  0.0000     0.0000  55.415  20.768  ?       ?       0.000000       20.76811 
1 1 1 13  7  31 o 57.797   21.149  40.167     27.854  40.167     27.854  0.0000     0.0000  57.797  21.149  ?       ?       0.000000       21.14851 
1 1 1 13  7  32 o 38.365   16.854  4.9323     21.760  4.9323     21.760  0.0000     0.0000  38.365  16.854  ?       ?       0.000000       16.85409 
1 1 1 13  7  33 o 82.971   17.484  77.295     24.530  63.664     29.695  106.584    43.527  69.694  21.898  83.534  26.544  -13.83980      34.41089 
1 1 1 13  7  34 o 61.414   16.684  42.880     18.355  67.937     26.089  18.323     25.828  74.372  19.756  45.041  19.051  29.33069       27.44549 
1 1 1 13  7  35 o 47.197   17.275  25.162     18.588  10.760     26.150  39.869     26.426  41.643  18.378  55.295  20.535  -13.65261      27.55800 
1 1 1 13  7  36 o 43.783   16.592  20.800     17.438  21.932     23.541  19.425     25.958  45.254  18.585  44.555  18.982  0.6992264      26.56524 
1 1 1 13  7  37 o 55.826   16.995  37.599     18.051  35.468     24.467  40.145     26.740  51.871  19.655  53.932  20.521  -2.060776      28.41496 
1 1 1 13  7  38 o 68.543   17.073  56.639     20.357  50.127     28.998  62.966     28.584  57.632  21.490  65.322  21.571  -7.690014      30.44831 
1 1 1 13  7  39 f 37.338   15.764  11.941     17.630  9.0116     22.622  16.472     28.136  37.886  16.886  42.140  18.803  -4.254036      25.27246 
1 1 1 13  7  40 o 60.303   18.590  49.465     21.515  27.567     28.041  80.807     33.548  45.492  19.564  68.482  23.377  -22.98983      30.48343 
1 1 1 13  7  41 o 40.166   18.608  12.647     30.996  4.4527     36.968  32.042     56.876  39.521  18.908  45.876  22.312  -6.354244      29.24565 
1 1 1 13  7  42 o 39.923   17.751  17.555     24.844  35.050     37.681  4.1014     33.044  45.548  20.889  37.830  18.036  7.718330       27.59811 
1 1 1 13  7  43 o 42.004   18.254  24.959     24.927  -25.1851   38.299  61.809     32.832  33.799  16.791  54.721  22.144  -20.92271      27.79046 
1 1 1 13  8  0  o 140.718  11.229  179.447    27.361  172.572    39.666  185.687    37.791  134.732 17.258  140.817 15.634  -6.085052      23.28623 
1 1 1 13  8  1  o 89.839   12.841  74.754     19.570  84.542     28.901  66.467     26.594  93.079  18.435  82.080  18.941  10.99812       26.43136 
1 1 1 13  8  2  o 57.524   15.055  31.735     15.298  15.258     23.070  44.665     20.437  47.889  18.831  67.636  17.251  -19.74677      25.53822 
1 1 1 13  8  3  o 46.086   15.087  19.277     13.994  4.7523     21.578  29.822     18.385  41.407  17.458  55.864  17.178  -14.45670      24.49251 
1 1 1 13  8  4  o 103.028  11.830  97.403     20.896  111.941    30.780  84.974     28.460  108.025 16.870  93.204  18.140  14.82140       24.77243 
1 1 1 13  8  5  o 118.175  11.422  127.544    23.275  126.448    33.604  128.554    32.269  114.526 17.348  116.066 16.378  -1.540359      23.85742 
1 1 1 13  8  6  o 117.732  12.082  127.391    24.485  117.206    34.967  137.190    34.297  109.010 19.065  119.508 16.908  -10.49782      25.48263 
1 1 1 13  8  7  o 107.962  13.968  109.280    25.714  110.527    31.496  106.787    44.529  106.583 17.534  99.293  25.539  7.290527       30.97850 
1 1 1 13  8  8  o 37.650   15.690  4.9475     17.121  -7.5765    20.279  36.033     31.948  34.747  15.695  61.953  22.653  -27.20607      27.55849 
1 1 1 13  8  9  o 30.818   13.789  -4.7733    15.242  -4.7963    19.016  -4.7319    25.489  34.622  15.453  40.135  17.904  -5.512802      23.65012 
1 1 1 13  8  10 o 25.239   12.019  -17.0689   14.576  -16.9199   17.191  -17.4497   27.489  28.268  13.340  37.566  17.445  -9.297199      21.96095 
1 1 1 13  8  11 o 53.154   16.460  27.406     16.846  24.163     24.345  30.385     23.336  52.744  19.686  56.326  19.486  -3.581390      27.69892 
1 1 1 13  8  12 o 90.759   14.046  78.536     21.540  75.820     30.405  81.272     30.519  85.254  20.645  88.664  20.168  -3.410057      28.86139 
1 1 1 13  8  13 f 115.952  12.256  125.306    24.437  137.473    34.195  112.607    34.935  118.211 17.061  104.813 19.815  13.39777       26.14785 
1 1 1 13  8  14 o 58.147   16.346  33.764     17.287  31.364     24.579  36.112     24.319  56.670  19.974  59.704  19.905  -3.034397      28.19864 
1 1 1 13  8  15 o 33.323   14.198  2.1739     14.525  9.9694     19.192  -8.2785    22.223  41.468  16.876  35.714  16.250  5.754227       23.42756 
1 1 1 13  8  16 o 131.134  11.728  160.273    26.570  161.520    37.700  159.043    37.453  127.022 17.460  126.001 17.495  1.020943       24.71697 
1 1 1 13  8  17 f 119.168  12.363  133.868    25.349  103.288    35.577  165.402    36.128  97.604  21.460  129.184 16.385  -31.57950      27.00010 
1 1 1 13  8  18 o 89.757   16.874  81.722     25.474  76.086     46.352  84.160     30.492  77.862  27.431  88.523  20.176  -10.66088      34.05170 
1 1 1 13  8  19 o 66.338   19.234  47.338     23.577  56.210     46.172  44.209     27.422  68.715  26.749  63.489  21.135  5.225883       34.09161 
1 1 1 13  8  20 o 71.880   18.445  55.210     23.264  68.365     37.483  46.967     29.671  74.926  24.699  64.534  21.985  10.39249       33.06659 
1 1 1 13  8  21 o 39.314   17.082  3.7869     21.823  12.548     27.999  -9.7728    34.834  46.458  19.752  42.771  19.784  3.686478       27.95578 
1 1 1 13  8  22 o 79.342   19.710  69.872     27.183  69.872     27.183  0.0000     0.0000  79.342  19.710  ?       ?       0.000000       19.70991 
1 1 1 13  8  23 o 43.968   17.136  16.634     18.965  11.599     21.908  31.690     37.881  42.566  17.745  56.209  23.375  -13.64322      29.34724 
1 1 1 13  8  24 o 51.829   17.875  28.541     19.629  34.470     22.459  9.3649     40.392  55.835  19.127  49.189  22.191  6.646381       29.29634 
1 1 1 13  8  25 o 91.486   16.909  89.160     26.015  94.731     30.628  74.730     49.296  91.339  19.777  70.550  27.591  20.78910       33.94671 
1 1 1 13  8  26 o 90.743   16.584  87.922     25.308  76.355     30.459  113.716    45.484  79.112  21.492  88.896  26.958  -9.783920      34.47641 
1 1 1 13  8  27 o 74.963   18.475  64.142     24.026  61.925     28.193  70.025     45.919  70.592  21.183  67.488  26.558  3.104103       33.97130 
1 1 1 13  8  28 o 86.938   17.817  84.849     26.137  79.208     32.190  95.763     44.778  78.020  22.432  77.965  26.992  0.5517578E-01  35.09623 
1 1 1 13  8  29 o 62.031   18.908  46.335     22.334  44.617     26.735  50.302     40.633  59.058  20.830  59.061  24.354  -0.3044128E-02 32.04697 
1 1 1 13  8  30 o 48.402   18.416  26.548     21.536  35.077     24.907  1.2873     42.865  53.258  19.905  44.894  21.148  8.363834       29.04224 
1 1 1 13  8  31 o 64.921   19.870  54.040     24.632  46.822     29.147  72.077     46.075  58.227  21.578  63.709  26.063  -5.482243      33.83580 
1 1 1 13  8  32 o 40.844   16.387  16.168     17.814  45.671     23.647  -22.5459   27.087  59.142  19.624  32.405  15.674  26.73630       25.11510 
1 1 1 13  8  33 o 39.447   16.169  14.361     17.778  30.518     23.595  -6.8572    27.039  49.173  19.128  35.714  16.815  13.45918       25.46812 
1 1 1 13  8  34 o 34.100   15.020  4.9331     17.385  4.8969     22.409  4.9878     27.553  36.691  16.543  38.852  17.834  -2.161091      24.32537 
1 1 1 13  8  35 o 37.337   15.881  11.539     18.114  25.496     22.829  -12.1841   29.764  45.354  18.426  35.005  16.804  10.34890       24.93786 
1 1 1 13  8  36 o 49.345   18.250  32.938     20.829  41.643     26.296  18.277     34.126  52.446  20.251  43.083  19.803  9.362911       28.32389 
1 1 1 13  8  37 f 41.640   16.580  20.827     18.093  12.480     24.738  30.426     26.530  38.869  17.466  46.112  19.395  -7.242966      26.10092 
1 1 1 13  8  38 o 44.338   16.814  25.917     17.915  6.4694     24.052  50.151     26.849  36.106  16.607  54.770  20.628  -18.66357      26.48170 
1 1 1 13  8  39 f 35.517   15.222  11.995     16.871  21.148     22.570  0.4036     25.399  40.696  17.527  34.299  16.194  6.397087       23.86273 
1 1 1 13  9  0  o 76.237   16.937  57.955     21.961  71.152     25.202  16.323     44.763  84.240  17.697  57.193  24.657  27.04711       30.35017 
1 1 1 13  9  1  f 116.984  11.638  126.718    23.456  131.571    33.153  121.855    33.190  115.764 16.900  110.721 17.769  5.042694       24.52197 
1 1 1 13  9  2  o 74.959   13.824  54.039     17.426  49.167     24.524  59.008     24.767  68.835  19.511  75.766  18.809  -6.930962      27.10054 
1 1 1 13  9  3  o 82.450   13.222  64.744     18.391  54.994     25.703  74.973     26.326  72.515  19.761  85.974  18.109  -13.45950      26.80321 
1 1 1 13  9  4  o 71.555   13.790  49.486     16.605  49.705     23.487  49.267     23.477  69.235  18.899  68.919  18.929  0.3160477      26.74905 
1 1 1 13  9  5  o 145.574  11.158  195.730    28.147  149.975    38.313  249.384    41.488  121.621 18.635  161.079 14.921  -39.45749      23.87254 
1 1 1 13  9  6  o 107.117  13.903  109.921    25.391  107.984    30.190  114.601    46.934  103.795 17.264  98.267  26.671  5.527657       31.77145 
1 1 1 13  9  7  o 38.293   15.486  8.5391     16.045  11.451     18.724  0.4878     31.132  41.854  16.798  44.763  19.889  -2.908825      26.03324 
1 1 1 13  9  8  o 47.164   17.016  20.353     17.940  18.897     21.403  23.791     32.895  47.530  18.293  54.257  22.089  -6.727558      28.68018 
1 1 1 13  9  9  o 60.841   16.062  37.604     17.315  43.030     24.235  31.946     24.747  63.525  19.754  56.226  20.018  7.298866       28.12325 
1 1 1 13  9  10 o 68.374   16.527  47.891     19.513  43.506     26.718  52.904     28.566  63.325  20.852  69.020  21.444  -5.694603      29.91068 
1 1 1 13  9  11 o 112.234  12.612  120.091    24.287  114.382    34.783  125.524    33.928  103.365 19.995  110.003 18.307  -6.637802      27.11014 
1 1 1 13  9  12 f 55.934   16.630  32.300     17.435  24.441     24.927  39.829     24.396  51.287  19.741  60.679  19.922  -9.391403      28.04645 
1 1 1 13  9  13 o 71.162   18.136  54.081     22.601  52.219     27.672  57.811     39.169  67.933  21.105  68.835  25.095  -0.9013748     32.79039 
1 1 1 13  9  14 o 48.495   17.809  22.694     19.777  23.406     24.082  21.219     34.660  50.064  19.366  52.268  22.087  -2.204678      29.37442 
1 1 1 13  9  15 o 45.829   17.964  18.123     20.934  23.182     26.255  9.2943     34.685  50.318  19.992  47.829  21.134  2.488930       29.09194 
1 1 1 13  9  16 o 118.809  14.669  141.173    29.786  152.713    36.191  116.949    52.436  120.259 17.771  89.520  29.199  30.73930       34.18145 
1 1 1 13  9  17 f 113.284  19.245  140.647    36.704  167.960    53.921  117.063    50.105  111.574 27.784  90.069  28.464  21.50523       39.77614 
1 1 1 13  9  18 o 59.986   20.939  42.161     26.974  74.964     40.791  16.670     35.958  73.797  25.750  49.696  21.753  24.10105       33.70814 
1 1 1 13  9  19 o 53.664   20.244  31.874     25.884  60.683     39.517  10.226     34.256  66.705  25.044  46.690  20.797  20.01559       32.55337 
1 1 1 13  9  20 o 37.847   15.970  7.9142     18.077  -2.9726    22.524  27.616     30.301  36.120  16.406  51.669  21.136  -15.54865      26.75621 
1 1 1 13  9  21 o 41.622   17.040  13.746     19.715  35.208     23.615  -35.6041   35.810  54.992  19.557  36.253  17.648  18.73868       26.34274 
1 1 1 13  9  22 o 105.933  13.964  114.795    25.199  99.953     35.608  129.686    35.666  87.793  22.966  104.929 20.200  -17.13609      30.58533 
1 1 1 13  9  23 o 111.659  12.851  125.402    24.598  134.712    33.597  114.647    36.112  108.975 18.306  95.057  22.165  13.91801       28.74725 
1 1 1 13  9  24 o 115.197  13.081  134.855    25.846  133.227    35.149  136.773    38.136  105.770 19.759  104.376 21.636  1.393791       29.30040 
1 1 1 13  9  25 o 87.039   14.955  81.221     21.909  93.890     29.072  64.569     33.330  88.236  19.398  66.517  23.272  21.71886       30.29665 
1 1 1 13  9  26 o 41.046   16.062  16.613     16.715  17.826     21.300  14.669     26.965  42.956  17.664  43.166  18.867  -0.2096481     25.84546 
1 1 1 13  9  27 o 37.053   15.965  8.5448     18.742  10.596     21.788  2.7111     36.748  39.357  17.085  42.241  19.798  -2.884098      26.14999 
1 1 1 13  9  28 o 39.100   16.167  13.671     17.973  -11.2505   21.410  73.130     33.071  31.199  14.772  68.712  23.212  -37.51310      27.51371 
1 1 1 13  9  29 o 48.517   18.500  29.942     21.761  38.704     23.656  -18.2774   55.495  53.343  19.494  42.403  20.910  10.94010       28.58764 
1 1 1 13  9  30 o 77.035   18.067  74.185     23.881  77.667     30.957  69.068     37.531  71.158  22.359  61.415  24.059  9.743256       32.84418 
1 1 1 13  9  31 o 44.990   17.782  25.500     20.670  0.0663     27.466  58.717     31.388  36.602  17.142  59.017  22.286  -22.41427      28.11614 
1 1 1 13  9  32 o 62.373   18.409  52.719     21.427  50.180     27.548  56.607     34.091  55.804  20.918  55.494  22.527  0.3094330      30.74166 
1 1 1 13  9  33 o 44.210   17.542  25.993     20.190  22.530     25.603  31.688     32.834  42.393  18.461  45.599  20.332  -3.205719      27.46271 
1 1 1 13  9  34 o 62.311   18.554  55.371     21.690  41.373     26.728  82.372     37.122  49.734  20.031  61.872  24.013  -12.13797      31.27091 
1 1 1 13  9  35 o 32.073   14.545  4.2131     17.615  3.9355     21.433  4.7909     30.921  33.622  15.540  36.715  17.489  -3.093159      23.39553 
1 1 1 13  10 0  o 76.377   15.959  59.609     20.597  47.463     25.598  81.911     34.687  65.364  20.298  83.517  23.038  -18.15326      30.70421 
1 1 1 13  10 1  o 45.068   16.114  19.158     16.052  12.971     19.630  31.645     27.887  42.539  17.155  55.491  20.994  -12.95231      27.11131 
1 1 1 13  10 2  o 111.619  13.789  121.918    26.302  108.661    32.681  146.292    44.314  100.353 19.352  112.016 23.411  -11.66310      30.37415 
1 1 1 13  10 3  o 76.289   16.691  60.745     21.616  66.038     25.977  48.832     38.974  77.541  19.271  64.020  24.672  13.52042       31.30639 
1 1 1 13  10 4  o 82.998   16.105  71.022     22.498  60.367     27.033  95.032     40.581  72.888  20.423  86.465  25.282  -13.57737      32.50038 
1 1 1 13  10 5  o 128.198  17.215  171.249    37.560  171.249    37.560  0.0000     0.0000  128.198 17.215  ?       ?       0.000000       17.21469 
1 1 1 13  10 6  o 77.004   18.933  65.554     25.279  65.554     25.279  0.0000     0.0000  77.004  18.933  ?       ?       0.000000       18.93345 
1 1 1 13  10 7  o 130.868  17.322  180.249    38.610  180.249    38.610  0.0000     0.0000  130.868 17.322  ?       ?       0.000000       17.32232 
1 1 1 13  10 8  o 40.251   15.837  13.041     16.326  22.062     19.384  -8.9783    30.284  47.284  17.582  39.590  18.359  7.693722       25.42041 
1 1 1 13  10 9  o 69.570   17.109  52.468     20.638  38.375     24.702  85.048     37.559  57.867  20.047  80.573  24.511  -22.70610      31.66483 
1 1 1 13  10 10 o 75.661   16.463  61.155     21.130  39.347     24.495  124.588    41.775  58.268  19.975  98.757  24.374  -40.48936      31.51382 
1 1 1 13  10 11 o 97.916   14.199  97.306     23.568  74.895     32.563  121.959    34.154  76.848  22.698  103.740 19.573  -26.89236      29.97108 
1 1 1 13  10 12 f 84.077   15.259  73.914     21.576  64.870     29.537  84.260     31.592  72.046  21.696  82.910  21.604  -10.86332      30.61839 
1 1 1 13  10 13 o 135.883  12.277  181.489    28.814  171.974    40.366  191.374    41.144  122.720 19.490  130.955 18.509  -8.234497      26.87845 
1 1 1 13  10 14 o 27.212   12.333  -3.7403    12.645  -13.0872   15.413  15.505     22.116  26.449  12.526  43.276  17.917  -16.82713      21.86125 
1 1 1 13  10 15 o 42.130   15.369  17.748     14.693  24.076     18.482  6.8798     24.222  47.273  17.238  40.180  17.712  7.092632       24.71591 
1 1 1 13  10 16 o 57.340   19.531  40.296     23.417  -1.8559    46.330  54.760     27.139  45.797  21.697  65.185  20.986  -19.38883      30.18549 
1 1 1 13  10 17 o 32.975   15.337  -7.7127    21.378  0.0000     0.0000  -7.7127    21.378  ?       ?       32.975  15.337  0.000000       15.33694 
1 1 1 13  10 18 o 40.303   17.595  9.8299     23.388  0.0000     0.0000  9.8299     23.388  ?       ?       40.303  17.595  0.000000       17.59491 
1 1 1 13  10 19 o 46.511   16.503  24.300     16.806  38.851     21.731  2.6455     26.510  55.851  18.816  38.845  17.703  17.00516       25.83510 
1 1 1 13  10 20 o 40.867   15.605  17.037     15.499  10.357     19.670  27.975     25.171  38.443  16.455  48.387  19.456  -9.944500      25.48149 
1 1 1 13  10 21 o 40.164   15.718  16.175     16.008  19.211     19.601  10.097     27.738  42.804  17.184  41.150  18.493  1.654205       25.24450 
1 1 1 13  10 22 o 45.496   16.003  23.887     15.769  20.426     19.358  30.715     27.188  43.159  17.161  48.792  19.997  -5.633312      26.35133 
1 1 1 13  10 23 o 31.274   13.774  2.8835     14.614  7.0900     18.485  -4.1296    23.867  35.627  15.596  34.408  16.071  1.219959       22.39392 
1 1 1 13  10 24 o 58.238   16.584  41.508     17.677  24.208     23.056  66.177     27.532  44.720  18.382  67.278  21.077  -22.55798      27.96653 
1 1 1 13  10 25 o 68.262   16.327  56.182     19.199  57.073     25.540  55.023     29.111  62.369  20.380  58.475  21.585  3.893574       29.68607 
1 1 1 13  10 26 o 53.589   17.355  37.799     18.539  31.602     21.100  58.781     38.826  48.043  18.241  54.556  23.229  -6.513550      29.53467 
1 1 1 13  10 27 o 24.124   11.528  -11.1079   13.656  -11.0012   14.587  -11.8652   38.855  25.028  11.947  37.060  18.115  -12.03145      21.69969 
1 1 1 13  10 28 o 37.295   15.397  14.809     16.265  5.8651     17.234  87.640     49.181  33.078  14.741  56.398  25.031  -23.31986      29.04910 
1 1 1 13  10 29 o 32.323   14.306  6.2224     15.956  7.8973     18.229  0.7335     33.000  34.054  15.169  36.660  17.624  -2.605564      23.25322 
1 1 1 13  11 0  o 31.579   12.960  5.6794     11.439  0.9211     17.862  8.9882     14.895  34.127  15.118  36.293  14.830  -2.166431      21.17737 
1 1 1 13  11 1  o 36.970   14.001  11.996     12.412  -10.8840   18.722  29.935     16.578  30.286  14.174  52.211  16.355  -21.92488      21.64219 
1 1 1 13  11 2  o 54.780   16.437  33.285     16.975  31.357     20.167  37.971     31.440  52.490  18.117  55.500  21.932  -3.009411      28.44767 
1 1 1 13  11 3  o 38.929   15.116  13.393     14.716  9.1538     15.910  38.477     38.704  36.798  15.213  55.444  23.379  -18.64577      27.89310 
1 1 1 13  11 4  o 35.462   14.658  8.2240     14.767  11.460     15.944  -11.2869   39.154  38.132  15.431  41.753  19.829  -3.620869      25.12605 
1 1 1 13  11 5  f 44.854   16.340  21.202     16.600  21.015     17.822  22.424     45.619  44.875  16.825  50.811  23.182  -5.935776      28.64392 
1 1 1 13  11 6  o 37.326   14.444  12.331     13.399  -5.0720    15.265  70.765     27.972  29.025  13.305  74.789  20.711  -45.76469      24.61651 
1 1 1 13  11 7  o 31.079   13.428  2.9597     13.336  -3.2754    15.323  22.433     27.080  29.757  13.522  46.955  19.665  -17.19832      23.86487 
1 1 1 13  11 8  o 45.659   15.860  22.830     15.466  16.697     18.370  37.763     28.664  41.795  16.686  53.956  21.056  -12.16056      26.86615 
1 1 1 13  11 9  o 40.620   15.010  16.781     14.083  4.7995     16.411  50.250     27.429  34.164  14.829  60.857  21.122  -26.69337      25.80758 
1 1 1 13  11 10 o 24.635   11.372  -5.5601    11.423  -1.7276    12.690  -21.9211   26.220  27.795  12.498  32.117  15.507  -4.321478      19.91688 
1 1 1 13  11 11 o 65.863   15.808  49.140     17.948  49.236     22.940  48.990     28.817  61.985  19.210  58.707  21.507  3.278366       28.83666 
1 1 1 13  11 12 o 82.010   14.822  73.590     20.443  61.383     26.899  90.283     31.455  66.929  20.811  81.101  21.761  -14.17249      30.11034 
1 1 1 13  11 13 o 23.385   11.055  -9.5001    11.904  -22.4932   14.073  23.175     22.318  21.843  10.723  45.070  18.251  -23.22764      21.16786 
1 1 1 13  11 14 o 54.591   19.395  40.298     23.219  29.458     41.910  45.098     27.890  48.427  22.143  55.531  20.998  -7.104168      30.51616 
1 1 1 13  11 15 o 73.054   20.548  73.707     27.309  77.302     51.010  72.262     32.334  59.092  25.886  67.178  22.950  -8.085876      34.59478 
1 1 1 13  11 16 o 57.653   20.092  47.938     24.831  43.539     48.152  49.532     28.982  50.484  23.319  56.321  21.379  -5.837265      31.63633 
1 1 1 13  11 17 o 27.614   12.601  -2.3039    13.489  -8.7839    16.427  11.113     23.637  27.645  13.044  38.742  17.265  -11.09669      21.63795 
1 1 1 13  11 18 o 34.270   14.605  8.7934     15.375  11.284     17.243  -0.8715    33.966  36.378  15.484  38.268  18.257  -1.889908      23.93863 
1 1 1 13  11 19 o 38.935   15.986  16.358     17.412  17.262     20.617  14.110     32.515  39.944  16.965  40.989  19.014  -1.045254      25.48194 
1 1 1 13  11 20 o 38.591   15.871  16.360     17.197  12.582     19.552  29.269     36.144  37.179  16.162  44.732  20.494  -7.553120      26.09965 
1 1 1 13  11 21 o 41.795   15.926  21.951     16.122  30.707     21.037  9.4925     25.096  46.231  18.040  37.188  17.052  9.043793       24.82323 
1 1 1 13  12 0  o 48.842   18.673  30.592     22.208  52.996     37.713  18.698     27.478  55.919  23.294  43.474  19.023  12.44521       30.07476 
1 1 1 13  12 1  o 59.967   24.915  69.988     42.981  69.988     42.981  0.0000     0.0000  59.967  24.915  ?       ?       0.000000       24.91476 
1 1 1 13  12 2  o 29.327   12.977  1.4789     13.121  1.4789     13.121  0.0000     0.0000  29.327  12.977  ?       ?       0.000000       12.97651 
1 1 1 13  12 3  o 24.183   11.241  -5.8127    11.454  -8.8768    12.086  21.204     35.890  23.636  11.163  44.869  20.506  -21.23334      23.34782 
1 1 1 13  12 4  o 43.601   16.595  22.607     17.492  21.923     19.509  25.410     39.492  43.162  17.207  45.983  21.197  -2.820332      27.30207 
1 1 1 13  12 5  f 99.557   15.462  113.968    26.007  108.704    30.263  128.833    50.854  90.521  19.706  73.810  28.248  16.71039       34.44241 
1 1 1 13  12 6  o 30.620   13.591  2.6375     14.501  7.7958     17.086  -10.6510   27.423  34.629  15.080  33.799  16.200  0.8299637      22.13276 
1 1 1 14  0  0  o 186.360  14.639  310.789    46.958  310.789    46.958  310.789    46.958  186.360 14.639  186.360 14.639  0.000000       0.000000 
1 1 1 14  0  1  o ?        ?       -33.3695   4.3455  -33.3695   4.3455  -33.3695   4.3455  ?       ?       ?       ?       0.000000       0.000000 
1 1 1 14  0  2  o 60.715   21.035  42.342     20.115  42.342     20.115  42.342     20.115  60.715  21.035  60.715  21.035  0.000000       0.000000 
1 1 1 14  0  3  o 60.754   19.677  41.253     18.453  41.253     18.453  41.253     18.453  60.754  19.677  60.754  19.677  0.000000       0.000000 
1 1 1 14  0  4  o 166.551  14.980  249.732    42.754  249.732    42.754  249.732    42.754  166.551 14.980  166.551 14.980  0.000000       0.000000 
1 1 1 14  0  5  o 90.015   21.085  82.146     28.801  82.146     28.801  82.146     28.801  90.015  21.085  90.015  21.085  0.000000       0.000000 
1 1 1 14  0  6  o 374.535  18.880  1248.73    122.753 1248.73    122.753 1248.73    122.753 374.535 18.880  374.535 18.880  0.000000       0.000000 
1 1 1 14  0  7  o 131.039  18.785  160.524    40.419  160.524    40.419  160.524    40.419  131.039 18.785  131.039 18.785  0.000000       0.000000 
1 1 1 14  0  8  o 37.335   22.358  13.063     26.015  13.063     26.015  13.063     26.015  37.335  22.358  37.335  22.358  0.000000       0.000000 
1 1 1 14  0  9  o 143.785  17.522  190.272    42.246  190.272    42.246  190.272    42.246  143.785 17.522  143.785 17.522  0.000000       0.000000 
1 1 1 14  0  10 o 45.371   24.651  26.063     27.524  26.063     27.524  26.063     27.524  45.371  24.651  45.371  24.651  0.000000       0.000000 
1 1 1 14  0  11 o 105.850  28.663  119.316    45.789  119.316    45.789  119.316    45.789  105.850 28.663  105.850 28.663  0.000000       0.000000 
1 1 1 14  0  12 o 148.092  25.720  212.201    60.495  212.201    60.495  212.201    60.495  148.092 25.720  148.092 25.720  0.000000       0.000000 
1 1 1 14  0  13 o 247.119  23.813  560.036    100.559 560.036    100.559 560.036    100.559 247.119 23.813  247.119 23.813  0.000000       0.000000 
1 1 1 14  0  14 o 285.067  25.153  744.825    122.958 744.825    122.958 744.825    122.958 285.067 25.153  285.067 25.153  0.000000       0.000000 
1 1 1 14  0  15 o 42.206   26.267  11.558     39.120  11.558     39.120  11.558     39.120  42.206  26.267  42.206  26.267  0.000000       0.000000 
1 1 1 14  0  16 o 46.899   25.019  28.531     27.872  28.531     27.872  28.531     27.872  46.899  25.019  46.899  25.019  0.000000       0.000000 
1 1 1 14  0  17 o 39.325   22.652  17.650     24.984  17.650     24.984  17.650     24.984  39.325  22.652  39.325  22.652  0.000000       0.000000 
1 1 1 14  0  18 o 38.657   22.511  16.485     25.094  16.485     25.094  16.485     25.094  38.657  22.511  38.657  22.511  0.000000       0.000000 
1 1 1 14  0  19 o 22.913   15.715  -13.2878   20.199  -13.2878   20.199  -13.2878   20.199  22.913  15.715  22.913  15.715  0.000000       0.000000 
1 1 1 14  0  20 o 21.885   15.255  -19.4422   21.058  -19.4422   21.058  -19.4422   21.058  21.885  15.255  21.885  15.255  0.000000       0.000000 
1 1 1 14  0  21 o 92.970   25.165  92.411     35.308  92.411     35.308  92.411     35.308  92.970  25.165  92.970  25.165  0.000000       0.000000 
1 1 1 14  0  22 o 199.118  17.544  360.805    59.908  360.805    59.908  360.805    59.908  199.118 17.544  199.118 17.544  0.000000       0.000000 
1 1 1 14  0  23 o 60.419   31.801  49.929     44.548  49.929     44.548  49.929     44.548  60.419  31.801  60.419  31.801  0.000000       0.000000 
1 1 1 14  0  24 o 111.883  32.945  140.712    55.934  140.712    55.934  140.712    55.934  111.883 32.945  111.883 32.945  0.000000       0.000000 
1 1 1 14  0  25 o 61.247   32.266  51.929     45.891  51.929     45.891  51.929     45.891  61.247  32.266  61.247  32.266  0.000000       0.000000 
1 1 1 14  0  26 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 14  0  27 f 217.344  26.539  453.978    96.703  453.978    96.703  453.978    96.703  217.344 26.539  217.344 26.539  0.000000       0.000000 
1 1 1 14  0  28 o 136.548  33.489  202.161    69.150  202.161    69.150  202.161    69.150  136.548 33.489  136.548 33.489  0.000000       0.000000 
1 1 1 14  0  29 o 59.874   34.530  48.348     58.166  48.348     58.166  48.348     58.166  59.874  34.530  59.874  34.530  0.000000       0.000000 
1 1 1 14  0  30 o 30.513   20.271  -5.9324    28.794  -5.9324    28.794  -5.9324    28.794  30.513  20.271  30.513  20.271  0.000000       0.000000 
1 1 1 14  0  31 o 76.190   27.291  70.599     33.179  70.599     33.179  70.599     33.179  76.190  27.291  76.190  27.291  0.000000       0.000000 
1 1 1 14  0  32 o 50.806   25.896  35.924     28.901  35.924     28.901  35.924     28.901  50.806  25.896  50.806  25.896  0.000000       0.000000 
1 1 1 14  0  33 o 50.860   25.716  36.152     28.368  36.152     28.368  36.152     28.368  50.860  25.716  50.860  25.716  0.000000       0.000000 
1 1 1 14  0  34 o 36.139   22.051  12.490     26.308  12.490     26.308  12.490     26.308  36.139  22.051  36.139  22.051  0.000000       0.000000 
1 1 1 14  0  35 o 156.254  17.526  230.357    46.271  230.357    46.271  230.357    46.271  156.254 17.526  156.254 17.526  0.000000       0.000000 
1 1 1 14  0  36 o 75.818   26.958  71.057     32.518  71.057     32.518  71.057     32.518  75.818  26.958  75.818  26.958  0.000000       0.000000 
1 1 1 14  0  37 o 31.102   20.144  1.9302     25.851  1.9302     25.851  1.9302     25.851  31.102  20.144  31.102  20.144  0.000000       0.000000 
1 1 1 14  0  38 o 29.827   19.791  -3.6995    27.310  -3.6995    27.310  -3.6995    27.310  29.827  19.791  29.827  19.791  0.000000       0.000000 
1 1 1 14  0  39 o 29.109   20.117  -21.0772   34.619  -21.0772   34.619  -21.0772   34.619  29.109  20.117  29.109  20.117  0.000000       0.000000 
1 1 1 14  0  40 f 64.955   32.944  67.362     46.638  67.362     46.638  67.362     46.638  64.955  32.944  64.955  32.944  0.000000       0.000000 
1 1 1 14  0  41 o 54.485   30.707  47.246     44.542  47.246     44.542  47.246     44.542  54.485  30.707  54.485  30.707  0.000000       0.000000 
1 1 1 14  0  42 o 44.950   27.537  26.289     41.399  26.289     41.399  26.289     41.399  44.950  27.537  44.950  27.537  0.000000       0.000000 
1 1 1 14  0  43 o 45.975   25.635  31.948     30.624  31.948     30.624  31.948     30.624  45.975  25.635  45.975  25.635  0.000000       0.000000 
1 1 1 14  0  44 o 22.785   15.959  -20.5013   23.842  -20.5013   23.842  -20.5013   23.842  22.785  15.959  22.785  15.959  0.000000       0.000000 
1 1 1 14  0  45 o 29.039   19.518  -5.1396    28.096  -5.1396    28.096  -5.1396    28.096  29.039  19.518  29.039  19.518  0.000000       0.000000 
1 1 1 14  0  46 o 63.966   27.619  60.248     31.741  60.248     31.741  60.248     31.741  63.966  27.619  63.966  27.619  0.000000       0.000000 
1 1 1 14  0  47 o 23.172   16.208  -19.0755   24.355  -19.0755   24.355  -19.0755   24.355  23.172  16.208  23.172  16.208  0.000000       0.000000 
1 1 1 14  0  48 o 35.081   22.194  12.886     29.181  12.886     29.181  12.886     29.181  35.081  22.194  35.081  22.194  0.000000       0.000000 
1 1 1 14  0  49 o 20.770   14.783  -26.9357   23.328  -26.9357   23.328  -26.9357   23.328  20.770  14.783  20.770  14.783  0.000000       0.000000 
1 1 1 14  1  0  f 314.658  13.613  878.804    74.792  856.870    91.327  923.475    130.330 308.863 17.000  316.540 23.754  -7.677216      29.21020 
1 1 1 14  1  1  o 336.138  13.792  1003.71    80.946  971.544    98.748  1069.58    141.328 328.694 17.266  340.455 23.926  -11.76019      29.50566 
1 1 1 14  1  2  o 255.814  10.503  577.270    46.913  608.739    66.799  546.642    65.901  261.014 14.717  247.050 15.353  13.96432       21.26758 
1 1 1 14  1  3  o 114.063  10.597  115.775    20.865  124.372    29.688  107.384    29.329  117.244 14.834  108.507 15.957  8.736115       21.78691 
1 1 1 14  1  4  o 210.804  10.320  392.086    37.985  370.209    53.847  413.756    53.593  203.030 15.302  215.049 14.355  -12.01906      20.98135 
1 1 1 14  1  5  o 130.580  10.280  151.382    23.250  176.812    33.597  128.014    32.207  140.277 13.900  118.568 15.962  21.70907       21.16595 
1 1 1 14  1  6  o 84.433   13.138  64.794     18.739  49.153     31.283  73.547     23.402  72.822  22.410  89.443  15.549  -16.62105      27.27586 
1 1 1 14  1  7  o 163.023  10.759  235.973    30.454  229.159    45.520  241.493    40.974  158.805 16.665  163.837 14.472  -5.031525      22.07153 
1 1 1 14  1  8  o 79.062   16.097  58.086     21.466  66.254     30.391  49.954     30.324  83.467  20.900  73.062  21.979  10.40463       30.32970 
1 1 1 14  1  9  o 147.996  13.172  196.623    33.682  164.687    41.284  260.198    58.249  133.662 18.160  167.506 20.333  -33.84453      27.26136 
1 1 1 14  1  10 o 251.895  13.362  567.795    58.558  502.786    71.438  700.936    102.234 234.922 17.542  274.841 21.474  -39.91866      27.72860 
1 1 1 14  1  11 o 169.553  13.304  258.261    39.069  248.810    47.456  278.141    68.827  165.082 16.693  171.067 23.677  -5.984695      28.97038 
1 1 1 14  1  12 o 157.011  13.317  221.923    36.166  225.637    43.597  213.725    64.765  157.253 16.105  148.127 25.988  9.126724       30.57398 
1 1 1 14  1  13 o 56.128   19.376  26.948     23.066  20.243     35.477  31.858     30.358  58.436  23.233  61.835  22.155  -3.398930      32.10287 
1 1 1 14  1  14 o 149.715  13.677  202.762    35.359  206.771    57.717  200.354    44.737  146.590 23.331  147.089 17.780  -0.4988403     29.33384 
1 1 1 14  1  15 o 130.701  14.333  155.701    32.173  176.669    54.201  144.294    39.978  134.686 23.924  123.790 19.111  10.89562       30.62029 
1 1 1 14  1  16 o 123.839  14.486  140.321    30.732  139.024    49.220  141.150    39.344  118.527 24.589  122.259 19.051  -3.732521      31.10568 
1 1 1 14  1  17 o 217.560  16.443  435.429    62.001  428.067    86.008  443.395    89.458  209.969 23.885  213.208 24.473  -3.238342      34.19688 
1 1 1 14  1  18 o 91.761   17.551  80.010     27.095  77.308     32.921  85.683     47.705  88.648  21.491  91.333  27.588  -2.684822      34.97128 
1 1 1 14  1  19 o 50.347   19.094  18.572     23.103  21.617     26.737  9.5978     45.899  53.923  20.519  58.775  25.146  -4.851967      32.45544 
1 1 1 14  1  20 o 134.542  14.532  166.881    33.597  149.902    39.808  208.917    62.636  125.281 18.776  143.187 26.011  -17.90610      32.08007 
1 1 1 14  1  21 o 96.437   17.886  89.386     29.009  65.980     53.087  99.351     34.638  81.037  29.266  100.498 20.435  -19.46098      35.69439 
1 1 1 14  1  22 o 47.209   19.010  12.540     24.066  0.5809     50.586  16.038     27.361  57.578  25.478  50.887  20.347  6.691811       32.60608 
1 1 1 14  1  23 o 47.059   18.899  12.950     23.718  -1.1624    44.037  18.717     28.150  53.558  23.732  52.431  20.742  1.126778       31.51920 
1 1 1 14  1  24 o 137.067  14.351  175.113    33.836  140.503    55.461  195.632    42.704  112.835 28.222  142.851 17.486  -30.01601      33.20023 
1 1 1 14  1  25 o 100.822  17.018  98.452     28.892  80.375     49.568  107.753    35.556  84.946  28.419  103.477 20.405  -18.53052      34.98527 
1 1 1 14  1  26 o 43.195   17.383  10.888     20.109  20.548     33.620  5.5074     25.092  55.034  22.360  43.924  18.687  11.11029       29.14042 
1 1 1 14  1  27 o 84.466   23.082  76.557     35.012  78.570     43.840  73.012     58.177  83.434  26.653  79.932  30.303  3.501617       40.35625 
1 1 1 14  1  28 o 53.866   21.677  21.647     31.271  8.4889     40.254  41.674     49.661  52.868  23.082  66.962  27.187  -14.09363      35.66334 
1 1 1 14  1  29 o 158.356  19.848  255.917    53.673  270.563    71.698  237.245    80.953  152.970 27.870  133.295 34.511  19.67564       44.35944 
1 1 1 14  1  30 o 170.395  19.563  297.818    57.149  298.862    80.463  296.756    81.184  155.150 30.788  153.785 31.298  1.364105       43.90327 
1 1 1 14  1  31 o 212.717  14.485  435.654    53.480  458.905    91.810  423.713    65.796  196.772 27.471  203.613 18.716  -6.840622      33.24068 
1 1 1 14  1  32 o 124.555  17.087  157.133    36.181  147.227    41.749  187.017    72.514  116.250 21.355  112.119 34.047  4.130478       40.18990 
1 1 1 14  1  33 o 111.035  18.394  129.243    34.413  127.629    39.604  134.217    69.530  106.561 22.014  91.236  33.409  15.32449       40.00980 
1 1 1 14  1  34 o 66.911   21.468  51.825     28.420  44.751     33.155  71.423     55.183  62.186  23.020  71.488  28.786  -9.301781      36.85826 
1 1 1 14  1  35 o 49.461   19.890  22.217     26.309  22.957     30.594  20.115     51.550  50.996  21.090  55.347  25.010  -4.351128      32.71500 
1 1 1 14  1  36 o 59.735   19.215  40.588     22.756  41.951     31.088  39.014     33.401  59.336  22.226  57.855  22.687  1.480553       31.76037 
1 1 1 14  1  37 o 86.339   17.533  81.518     25.529  88.379     34.757  73.479     37.621  83.275  23.096  73.026  24.757  10.24908       33.85707 
1 1 1 14  1  38 o 37.444   16.762  1.4193     22.555  15.027     28.130  -23.0784   37.744  45.309  19.540  39.321  18.889  5.988537       27.17704 
1 1 1 14  1  39 o 32.058   14.956  -9.3579    20.578  -22.1456   25.055  17.148     36.072  31.905  15.343  47.693  21.285  -15.78800      26.23843 
1 1 1 14  1  40 o 31.733   15.225  -19.6227   24.353  -17.6176   33.848  -21.7746   35.065  37.604  18.017  37.371  18.016  0.2331810      25.47924 
1 1 1 14  1  41 o 55.070   21.608  41.810     30.314  49.876     42.850  33.729     42.891  56.444  24.226  51.645  23.118  4.798618       33.48646 
1 1 1 14  1  42 o 35.543   16.235  0.3222     22.456  7.7851     37.275  -3.9293    28.134  43.287  20.173  37.130  17.377  6.157139       26.62507 
1 1 1 14  1  43 o 55.924   18.626  40.909     21.296  46.942     29.780  34.595     30.466  55.773  21.546  49.982  20.889  5.791203       30.00974 
1 1 1 14  1  44 o 40.604   16.939  16.903     19.983  31.287     28.220  2.4378     28.300  47.838  20.057  37.891  17.631  9.946568       26.70442 
1 1 1 14  1  45 o 34.816   15.816  3.9754     20.942  -9.4803    28.967  18.708     30.311  34.701  16.637  42.487  19.190  -7.786160      25.39771 
1 1 1 14  1  46 o 66.662   19.643  64.269     24.413  68.458     33.056  59.241     36.211  60.546  22.869  54.608  22.793  5.937889       32.28795 
1 1 1 14  1  47 o 59.474   19.486  54.130     23.343  36.810     31.014  76.764     35.454  46.526  20.288  60.637  23.486  -14.11158      31.03526 
1 1 1 14  1  48 o 33.614   15.395  5.6050     20.374  -23.7396   26.605  47.225     31.684  29.388  14.489  48.835  20.893  -19.44711      25.42524 
1 1 1 14  1  49 o 104.975  17.064  147.033    30.204  117.496    41.302  180.987    44.283  67.082  25.508  92.775  26.190  -25.69260      36.55970 
1 1 1 14  2  0  o 129.219  11.723  148.882    26.163  141.004    30.950  168.601    48.968  125.047 14.441  134.503 21.580  -9.456100      25.96629 
1 1 1 14  2  1  o 173.618  11.578  267.804    34.898  254.008    41.875  299.171    63.141  168.270 14.391  180.414 20.402  -12.14444      24.96690 
1 1 1 14  2  2  o 223.972  14.797  449.537    57.539  449.537    57.539  0.0000     0.0000  223.972 14.797  ?       ?       0.000000       14.79663 
1 1 1 14  2  3  o 248.123  15.450  552.891    66.603  552.891    66.603  0.0000     0.0000  248.123 15.450  ?       ?       0.000000       15.44974 
1 1 1 14  2  4  o 112.497  13.568  114.205    26.113  129.663    31.768  82.002     45.852  119.376 15.615  92.171  26.852  27.20538       31.06196 
1 1 1 14  2  5  f 122.962  13.993  136.494    29.509  133.737    36.852  141.421    49.262  120.407 18.088  121.610 24.052  -1.202637      30.09383 
1 1 1 14  2  6  o 172.747  13.050  267.061    39.072  251.060    48.253  297.528    66.582  166.102 16.872  178.675 21.793  -12.57370      27.56097 
1 1 1 14  2  7  f 206.337  13.018  380.648    46.662  364.901    57.489  411.054    79.884  200.554 16.565  209.961 22.123  -9.406876      27.63755 
1 1 1 14  2  8  o 160.250  12.887  230.211    35.754  213.042    43.894  264.065    61.637  152.757 16.730  168.020 21.503  -15.26318      27.24476 
1 1 1 14  2  9  o 39.672   15.343  9.4991     15.114  20.625     21.639  -1.0985    21.119  51.480  18.670  39.166  16.910  12.31403       25.18998 
1 1 1 14  2  10 o 148.676  11.323  197.412    29.175  218.416    42.429  178.574    40.182  154.798 15.925  139.470 16.841  15.32832       23.17780 
1 1 1 14  2  11 o 49.346   16.989  20.486     17.728  33.069     28.284  12.344     22.751  61.838  21.449  47.121  18.646  14.71703       28.42075 
1 1 1 14  2  12 o 287.628  14.057  743.501    70.595  672.962    86.713  882.141    121.567 270.315 18.483  305.450 22.962  -35.13519      29.47621 
1 1 1 14  2  13 o 257.415  13.690  597.015    61.309  535.836    75.042  719.820    106.319 241.159 17.950  275.936 22.256  -34.77715      28.59247 
1 1 1 14  2  14 o 260.902  13.924  614.850    63.200  594.198    77.821  654.857    108.315 253.910 17.663  260.919 24.045  -7.009583      29.83574 
1 1 1 14  2  15 o 193.378  15.952  342.911    53.383  276.412    74.119  414.587    76.950  166.857 26.312  208.920 21.396  -42.06310      33.91346 
1 1 1 14  2  16 o 134.061  18.642  169.443    42.456  0.0000     0.0000  169.443    42.456  ?       ?       134.061 18.642  0.000000       18.64182 
1 1 1 14  2  17 o 166.025  17.470  257.193    49.885  0.0000     0.0000  257.193    49.885  ?       ?       166.025 17.470  0.000000       17.47035 
1 1 1 14  2  18 o 149.977  17.667  211.296    45.376  0.0000     0.0000  211.296    45.376  ?       ?       149.977 17.667  0.000000       17.66652 
1 1 1 14  2  19 o 147.258  12.147  196.644    30.954  192.697    42.469  201.117    45.211  143.071 17.355  145.711 18.164  -2.640106      25.12287 
1 1 1 14  2  20 o 199.589  11.456  359.540    39.757  349.467    55.734  369.976    56.729  193.293 16.677  199.078 16.468  -5.784256      23.43738 
1 1 1 14  2  21 o 75.120   15.918  54.078     20.230  33.432     26.511  82.859     31.301  60.145  20.772  91.420  20.152  -31.27447      28.94057 
1 1 1 14  2  22 o 134.404  14.410  167.987    33.291  128.660    57.517  187.798    40.823  107.254 29.698  140.588 16.974  -33.33410      34.20645 
1 1 1 14  2  23 o 56.125   19.110  29.331     22.418  39.694     35.247  22.291     29.052  65.097  23.795  54.388  21.206  10.70879       31.87264 
1 1 1 14  2  24 o 108.127  15.662  111.384    28.708  102.778    50.352  115.529    34.944  95.490  28.230  107.988 19.238  -12.49829      34.16202 
1 1 1 14  2  25 o 119.212  15.022  134.772    30.574  114.849    50.691  146.164    38.331  100.551 27.894  121.767 18.620  -21.21585      33.53745 
1 1 1 14  2  26 o 76.555   16.750  57.930     21.768  52.803     30.176  63.492     31.432  70.986  22.037  77.451  22.136  -6.465302      31.23507 
1 1 1 14  2  27 o 65.053   17.574  42.677     20.433  39.533     29.041  45.759     28.754  62.554  21.732  66.295  21.622  -3.741478      30.65635 
1 1 1 14  2  28 o 62.521   19.867  40.305     24.384  41.122     29.240  38.440     44.184  63.096  21.813  64.087  25.775  -0.9908447     33.76628 
1 1 1 14  2  29 o 125.780  15.084  153.260    32.468  150.865    40.041  157.857    55.478  120.877 19.646  114.692 27.957  6.185204       34.16956 
1 1 1 14  2  30 o 116.118  16.577  134.454    32.657  131.808    39.817  139.891    57.081  110.612 21.390  103.794 29.880  6.818138       36.74690 
1 1 1 14  2  31 o 52.398   19.885  25.806     25.067  43.006     30.348  -11.1230   44.468  62.727  22.185  47.871  22.216  14.85594       31.39676 
1 1 1 14  2  32 o 51.291   18.229  26.218     20.512  40.548     30.256  14.029     27.904  60.780  22.072  47.263  19.886  13.51789       29.70888 
1 1 1 14  2  33 o 28.357   13.421  -15.9419   17.634  -3.8340    22.519  -35.1373   28.354  36.680  16.557  32.752  15.888  3.928146       22.94687 
1 1 1 14  2  34 o 146.195  16.171  218.899    40.588  181.841    64.965  242.624    51.981  108.833 32.035  147.382 20.776  -38.54877      38.18241 
1 1 1 14  2  35 o 59.482   22.276  41.946     31.225  3.8141     53.153  62.039     38.584  51.500  24.030  68.305  24.907  -16.80476      34.60890 
1 1 1 14  2  36 o 114.390  19.248  146.547    37.079  80.399     64.793  178.760    45.215  68.552  29.609  122.682 21.912  -54.12969      36.83527 
1 1 1 14  2  37 o 116.982  21.827  165.547    42.944  184.368    61.692  147.854    59.815  105.018 31.295  91.133  31.215  13.88454       44.20124 
1 1 1 14  2  38 o 75.091   23.521  77.618     34.290  77.618     34.290  0.0000     0.0000  75.091  23.521  ?       ?       0.000000       23.52125 
1 1 1 14  2  39 o 47.852   20.578  22.520     31.023  22.520     31.023  0.0000     0.0000  47.852  20.578  ?       ?       0.000000       20.57832 
1 1 1 14  2  40 o 48.479   22.340  19.758     43.809  19.758     43.809  0.0000     0.0000  48.479  22.340  ?       ?       0.000000       22.34002 
1 1 1 14  2  41 o 51.380   20.561  34.760     27.965  25.193     46.364  40.231     35.060  49.078  22.744  53.088  22.311  -4.009228      31.86058 
1 1 1 14  2  42 o 66.392   22.206  66.116     30.265  89.374     50.733  53.266     37.710  64.220  26.907  56.480  23.391  7.739658       35.65238 
1 1 1 14  2  43 o 71.423   22.495  78.378     31.316  17.560     52.396  112.176    39.060  46.172  22.199  81.827  25.018  -35.65568      33.44711 
1 1 1 14  2  44 o 68.792   20.687  68.920     26.866  64.484     36.440  74.203     39.767  58.706  23.479  60.859  24.461  -2.153030      33.90574 
1 1 1 14  2  45 o 70.115   20.743  73.572     27.176  73.732     37.898  73.402     38.992  60.039  23.968  59.212  24.071  0.8270302      33.96847 
1 1 1 14  2  46 o 37.402   16.873  11.251     23.349  -13.5087   32.709  36.976     33.341  34.406  16.775  46.649  20.661  -12.24321      26.61351 
1 1 1 14  2  47 o 34.389   15.994  4.1345     23.242  -15.3837   33.071  23.186     32.672  33.574  16.473  41.487  19.179  -7.913185      25.28265 
1 1 1 14  2  48 o 30.565   14.668  -6.9094    22.629  -12.3789   32.260  -1.6107    31.752  33.125  16.257  34.864  16.889  -1.739075      23.44180 
1 1 1 14  3  0  o 203.312  12.428  368.367    43.906  388.313    54.187  330.243    74.916  207.801 15.036  187.706 23.363  20.09518       27.78356 
1 1 1 14  3  1  o 313.478  14.125  877.429    77.314  877.837    94.881  876.622    133.378 311.250 17.530  305.158 25.259  6.092072       30.74610 
1 1 1 14  3  2  o 208.741  15.942  393.765    57.665  393.765    57.665  0.0000     0.0000  208.741 15.942  ?       ?       0.000000       15.94179 
1 1 1 14  3  3  o 238.992  16.323  516.765    67.707  516.765    67.707  0.0000     0.0000  238.992 16.323  ?       ?       0.000000       16.32280 
1 1 1 14  3  4  o 135.572  12.810  165.083    29.964  151.277    36.080  195.766    53.788  128.560 16.450  144.102 22.081  -15.54155      27.53525 
1 1 1 14  3  5  o 56.072   17.319  28.594     18.664  38.728     22.286  4.7956     34.152  64.417  18.707  51.623  21.875  12.79373       28.78319 
1 1 1 14  3  6  o 162.181  11.184  234.480    31.478  214.845    44.500  254.145    44.533  153.174 16.921  167.367 15.412  -14.19246      22.88765 
1 1 1 14  3  7  o 124.252  13.446  139.608    28.706  149.643    35.210  119.716    49.574  127.756 16.145  110.070 26.176  17.68613       30.75480 
1 1 1 14  3  8  o 236.770  13.279  503.187    54.675  490.086    67.119  529.028    94.264  231.836 16.692  236.432 23.130  -4.596863      28.52408 
1 1 1 14  3  9  o 260.165  13.751  609.101    62.243  614.276    76.763  599.168    106.348 259.211 17.056  249.989 24.686  9.222031       30.00510 
1 1 1 14  3  10 o 82.294   15.346  63.056     21.240  73.024     31.433  54.680     28.814  86.922  20.955  75.378  21.073  11.54443       29.71852 
1 1 1 14  3  11 o 83.045   17.686  65.398     24.859  45.055     43.088  75.547     30.434  72.102  26.316  88.567  20.136  -16.46457      33.13557 
1 1 1 14  3  12 f 51.128   17.230  22.824     18.222  10.851     25.545  35.230     26.002  47.997  19.494  62.145  20.576  -14.14814      28.34391 
1 1 1 14  3  13 o 103.569  14.218  98.623     25.034  117.798    40.181  86.457     32.004  110.082 21.676  94.654  19.991  15.42745       29.48721 
1 1 1 14  3  14 o 109.059  11.844  107.719    22.191  106.268    30.097  109.448    32.849  106.475 16.741  107.473 18.152  -0.9982834     24.69312 
1 1 1 14  3  15 o 244.300  10.770  533.060    45.942  486.090    64.824  580.461    65.120  229.507 16.282  251.995 14.866  -22.48822      22.04747 
1 1 1 14  3  16 o 147.477  13.129  198.113    33.455  214.215    56.901  189.605    41.359  147.631 22.809  142.309 16.980  5.321976       28.43546 
1 1 1 14  3  17 o 141.761  13.213  183.628    32.329  187.728    55.610  181.535    39.733  136.707 24.182  139.153 16.686  -2.446457      29.37959 
1 1 1 14  3  18 o 55.916   20.247  26.736     25.435  0.0000     0.0000  26.736     25.435  ?       ?       55.916  20.247  0.000000       20.24748 
1 1 1 14  3  19 o 153.506  15.941  220.652    42.104  0.0000     0.0000  220.652    42.104  ?       ?       153.506 15.941  0.000000       15.94083 
1 1 1 14  3  20 o 41.926   16.412  11.216     17.456  -4.6848    31.507  18.258     20.968  45.003  20.001  48.503  18.237  -3.499802      27.06696 
1 1 1 14  3  21 o 32.340   15.026  -15.2314   20.432  3.6891     32.507  -27.5884   26.270  48.367  20.932  34.211  16.246  14.15587       26.49627 
1 1 1 14  3  22 o 34.073   15.479  -9.0183    20.062  -33.0634   33.335  4.6370     25.121  38.419  18.260  43.760  18.660  -5.341927      26.10772 
1 1 1 14  3  23 o 153.064  14.260  219.378    37.672  227.108    64.336  215.344    46.473  144.886 26.404  148.509 18.310  -3.622818      32.13106 
1 1 1 14  3  24 o 69.962   17.172  48.711     20.821  49.535     27.742  47.647     31.507  69.242  21.066  67.931  22.657  1.311325       30.93726 
1 1 1 14  3  25 o 149.657  12.215  207.400    31.641  224.352    44.418  189.938    45.082  151.732 17.062  137.584 19.297  14.14862       25.75794 
1 1 1 14  3  26 o 56.209   18.607  31.232     21.264  31.733     28.014  30.552     32.662  57.685  21.194  58.230  22.545  -0.5453873     30.94318 
1 1 1 14  3  27 o 125.064  13.360  148.106    28.723  124.974    38.841  176.025    42.671  108.679 21.230  131.422 19.159  -22.74265      28.59638 
1 1 1 14  3  28 o 102.951  17.152  106.557    29.747  113.430    35.754  91.101     53.620  103.470 20.515  83.901  29.509  19.56918       35.93918 
1 1 1 14  3  29 o 46.870   18.697  16.783     23.048  22.738     26.900  0.3438     44.698  51.491  20.307  50.910  23.119  0.5806999      30.77050 
1 1 1 14  3  30 o 156.499  14.191  237.698    38.357  227.829    46.846  257.772    66.810  148.240 18.502  145.415 27.316  2.824799       32.99204 
1 1 1 14  3  31 o 108.565  16.921  120.947    31.030  137.275    37.362  84.644     55.709  112.979 19.653  77.097  29.551  35.88150       35.49010 
1 1 1 14  3  32 o 60.343   18.918  39.958     22.176  57.663     32.628  24.757     30.233  69.064  23.057  52.109  21.191  16.95442       31.31581 
1 1 1 14  3  33 o 95.069   17.030  95.231     27.231  101.281    40.218  90.110     37.003  88.923  24.909  84.808  23.941  4.115326       34.54864 
1 1 1 14  3  34 o 33.036   15.230  -7.9850    20.391  -17.7095   29.865  0.5074     27.908  36.940  17.477  40.876  18.443  -3.936226      25.40839 
1 1 1 14  3  35 o 35.727   16.346  -4.7979    22.888  -6.6655    28.478  -1.3910    38.463  38.642  17.879  44.728  20.724  -6.086262      27.37012 
1 1 1 14  3  36 o 52.462   20.955  31.201     28.987  23.807     38.642  40.717     43.836  51.027  22.437  56.895  24.464  -5.868450      33.19518 
1 1 1 14  3  37 o 31.489   14.964  -15.9700   22.371  -23.5670   27.491  -1.0802    38.488  33.212  15.996  43.623  20.386  -10.41059      25.91281 
1 1 1 14  3  38 o 40.531   18.248  5.7358     27.151  -2.5197    32.996  23.046     47.779  40.629  18.949  50.525  23.300  -9.896145      30.03257 
1 1 1 14  3  39 o 49.990   18.613  30.114     21.737  26.517     31.059  33.567     30.433  48.494  20.715  51.342  21.113  -2.848335      29.57815 
1 1 1 14  3  40 o 84.846   20.969  94.950     30.887  114.125    53.345  85.279     37.883  72.806  28.633  71.985  24.832  0.8213196      37.90101 
1 1 1 14  3  41 o 56.603   21.811  48.816     30.454  92.243     53.939  28.495     36.898  63.349  27.185  47.991  21.465  15.35759       34.63785 
1 1 1 14  3  42 o 43.244   19.233  18.777     29.183  -15.0758   43.910  45.560     39.056  39.497  19.296  52.084  22.738  -12.58695      29.82160 
1 1 1 14  3  43 o 29.993   14.629  -22.6469   24.945  20.787     38.975  -52.7843   32.466  44.260  20.627  29.504  14.781  14.75540       25.37570 
1 1 1 14  3  44 o 32.777   15.786  -11.9777   26.764  -25.3674   30.908  28.145     53.504  32.176  15.815  45.339  21.954  -13.16325      27.05747 
1 1 1 14  3  45 o 65.438   23.049  79.964     32.724  80.417     38.414  78.768     62.484  60.298  24.110  50.446  24.251  9.851883       34.19644 
1 1 1 14  3  46 o 51.764   21.546  54.205     32.227  57.864     36.559  41.450     68.257  51.107  22.158  44.014  21.955  7.093189       31.19246 
1 1 1 14  3  47 o 35.891   16.589  10.340     24.426  27.799     34.574  -7.0555    34.511  41.455  19.356  34.555  16.929  6.899925       25.71438 
1 1 1 14  4  0  o 185.949  10.905  307.699    35.253  291.626    50.155  323.395    49.561  178.968 16.226  189.019 15.144  -10.05153      22.19531 
1 1 1 14  4  1  o 201.351  11.282  361.215    39.504  366.096    56.459  356.534    55.292  200.571 16.261  197.982 16.135  2.589630       22.90797 
1 1 1 14  4  2  o 123.846  14.308  139.427    30.370  122.018    37.675  171.730    51.322  113.779 19.676  133.970 22.754  -20.19139      30.08109 
1 1 1 14  4  3  o 192.701  16.241  338.693    54.137  338.693    54.137  0.0000     0.0000  192.701 16.241  ?       ?       0.000000       16.24115 
1 1 1 14  4  4  o 249.214  16.740  567.156    72.423  567.156    72.423  0.0000     0.0000  249.214 16.740  ?       ?       0.000000       16.74050 
1 1 1 14  4  5  o 246.488  16.731  555.564    71.582  574.846    101.192 536.252    101.271 245.104 23.951  235.790 24.978  9.314560       34.60573 
1 1 1 14  4  6  o 122.353  17.313  139.227    35.955  136.696    50.700  141.787    50.998  117.346 25.475  119.711 25.196  -2.364738      35.82994 
1 1 1 14  4  7  o 91.062   17.694  78.388     27.120  78.778     35.317  77.828     42.338  89.612  22.581  88.351  25.821  1.261086       34.30141 
1 1 1 14  4  8  f 87.342   14.618  70.694     21.505  39.890     32.577  94.486     28.630  66.539  23.023  100.407 16.933  -33.86753      28.57951 
1 1 1 14  4  9  o 100.199  11.669  90.902     20.033  81.744     27.470  101.307    29.280  92.913  17.576  104.054 16.679  -11.14080      24.23037 
1 1 1 14  4  10 o 148.801  10.793  198.483    27.851  205.535    38.552  190.784    40.280  149.687 14.950  143.487 16.370  6.199921       22.16970 
1 1 1 14  4  11 o 279.494  11.650  700.095    56.853  634.596    79.815  767.558    81.003  261.326 17.594  288.873 16.124  -27.54697      23.86517 
1 1 1 14  4  12 o 80.834   12.883  60.282     17.573  70.471     23.634  47.683     26.281  86.313  16.279  70.022  20.309  16.29022       26.02774 
1 1 1 14  4  13 o 38.754   14.905  9.7836     14.201  7.9192     21.025  11.348     19.257  42.957  17.593  43.586  17.184  -0.6285286     24.59285 
1 1 1 14  4  14 o 43.565   16.827  12.652     18.161  12.326     33.381  12.790     21.644  52.836  21.955  45.965  18.187  6.870804       28.50939 
1 1 1 14  4  15 o 131.643  13.754  159.571    31.149  188.668    54.770  145.661    37.869  136.825 23.789  123.441 18.108  13.38330       29.89678 
1 1 1 14  4  16 o 80.391   16.249  61.960     22.025  103.995    40.548  44.368     26.232  100.732 23.486  67.158  20.496  33.57360       31.17237 
1 1 1 14  4  17 o 118.928  16.792  134.665    33.900  0.0000     0.0000  134.665    33.900  ?       ?       118.928 16.792  0.000000       16.79229 
1 1 1 14  4  18 o 126.444  16.356  151.896    35.265  0.0000     0.0000  151.896    35.265  ?       ?       126.444 16.356  0.000000       16.35616 
1 1 1 14  4  19 o 93.058   17.625  84.585     27.589  0.0000     0.0000  84.585     27.589  ?       ?       93.058  17.625  0.000000       17.62453 
1 1 1 14  4  20 o 53.770   16.634  27.772     17.210  30.232     25.475  25.706     23.341  57.155  20.314  53.730  19.405  3.424870       28.09313 
1 1 1 14  4  21 o 127.810  11.947  150.524    26.352  137.606    37.666  162.909    36.881  117.688 18.975  129.957 16.635  -12.26888      25.23415 
1 1 1 14  4  22 f 108.532  12.572  109.806    23.383  81.426     32.905  138.755    33.234  88.028  21.576  119.727 16.323  -31.69884      27.05439 
1 1 1 14  4  23 o 33.366   14.543  -0.5704    15.919  -22.5990   23.947  16.874     21.310  33.027  15.633  46.953  18.202  -13.92561      23.99406 
1 1 1 14  4  24 o 32.125   14.291  -3.3921    16.121  20.118     23.019  -26.0238   22.585  49.412  18.982  30.838  14.760  18.57459       24.04543 
1 1 1 14  4  25 o 37.005   15.597  4.6038     17.212  1.7325     24.205  7.5404     24.479  40.954  17.889  43.583  18.497  -2.629848      25.73225 
1 1 1 14  4  26 o 104.746  14.810  106.901    26.331  104.472    35.415  109.904    39.375  98.400  21.235  99.159  23.161  -0.7588196     31.42248 
1 1 1 14  4  27 o 102.768  15.364  104.384    26.724  127.241    36.700  78.585     38.990  109.587 19.913  81.010  25.034  28.57722       31.98769 
1 1 1 14  4  28 o 128.806  16.319  166.759    35.879  200.935    43.255  91.385     64.237  139.365 18.211  79.070  31.317  60.29517       36.22724 
1 1 1 14  4  29 o 58.985   20.886  37.969     26.905  37.048     31.965  40.208     49.831  58.719  22.414  62.029  26.361  -3.310101      34.60140 
1 1 1 14  4  30 o 47.419   18.971  19.167     23.800  22.294     28.809  12.446     42.236  50.579  20.641  51.449  22.991  -0.8696289     30.89721 
1 1 1 14  4  31 f 72.898   20.477  61.476     27.140  61.028     31.693  62.705     52.550  70.522  22.676  67.195  27.701  3.327148       35.79854 
1 1 1 14  4  32 o 51.055   19.237  27.373     23.355  36.922     27.990  5.4875     42.374  56.715  21.120  48.437  22.191  8.277695       30.63459 
1 1 1 14  4  33 o 85.205   20.408  85.346     29.961  102.024    37.073  53.942     50.872  89.399  23.457  62.162  26.531  27.23682       35.41328 
1 1 1 14  4  34 o 37.813   16.907  1.8411     22.870  9.0740     27.800  -13.3030   40.226  42.974  18.958  42.333  20.103  0.6409225      27.63215 
1 1 1 14  4  35 o 128.103  17.046  180.167    37.182  158.306    46.220  220.264    62.596  107.621 25.063  116.509 30.436  -8.888565      39.42723 
1 1 1 14  4  36 o 109.680  24.651  165.701    46.061  165.701    46.061  0.0000     0.0000  109.680 24.651  ?       ?       0.000000       24.65148 
1 1 1 14  4  37 o 40.117   17.822  8.1728     24.991  19.217     47.714  3.9978     29.337  48.967  22.821  40.516  18.526  8.451427       29.39403 
1 1 1 14  4  38 o 55.271   19.125  39.299     22.478  37.190     31.290  41.549     32.312  52.252  21.439  54.010  21.929  -1.757542      30.66749 
1 1 1 14  4  39 o 32.115   15.112  -8.6433    21.787  -19.3505   34.029  -1.2062    28.361  36.142  17.503  37.686  17.574  -1.544319      24.80296 
1 1 1 14  4  40 o 27.546   13.487  -26.4210   21.800  -32.9765   37.448  -23.0604   26.812  34.917  17.210  31.449  15.301  3.468090       23.02864 
1 1 1 14  4  41 o 48.984   19.580  33.868     25.327  12.600     45.216  43.592     30.573  43.707  20.910  52.340  21.300  -8.633125      29.84846 
1 1 1 14  4  42 f 33.479   15.512  -0.2582    21.552  41.085     35.124  -25.2246   27.294  49.280  21.537  30.603  15.006  18.67700       26.24897 
1 1 1 14  4  43 o 41.126   17.387  20.519     21.498  -2.2454    31.501  40.362     29.411  36.360  17.411  49.054  20.514  -12.69350      26.90658 
1 1 1 14  4  44 o 32.212   15.129  -1.6089    21.655  10.684     34.721  -9.4353    27.704  39.077  18.591  32.920  15.906  6.157078       24.46709 
1 1 1 14  4  45 o 58.399   20.851  61.185     26.867  93.715     49.421  47.536     32.011  54.141  24.474  48.455  20.871  5.685497       32.16480 
1 1 1 14  5  0  o 43.162   16.743  11.630     18.039  9.6456     31.509  12.597     22.001  51.326  21.329  46.520  18.359  4.805309       28.14188 
1 1 1 14  5  1  o 123.328  13.637  138.583    28.874  133.044    47.383  141.855    36.416  115.965 24.184  123.237 17.408  -7.272209      29.79790 
1 1 1 14  5  2  f 34.189   13.937  4.5095     13.118  15.042     19.849  -3.6582    17.480  46.498  17.683  34.226  15.069  12.27263       23.23282 
1 1 1 14  5  3  o 98.016   11.982  87.255     20.080  61.354     28.844  111.610    27.970  79.318  20.632  109.946 14.958  -30.62769      25.48338 
1 1 1 14  5  4  o 51.345   16.215  24.063     16.262  14.614     19.593  44.990     29.158  45.992  17.550  68.630  21.717  -22.63768      27.92133 
1 1 1 14  5  5  o 79.517   20.681  61.965     28.984  101.544    43.967  31.543     38.546  99.992  25.194  63.861  24.557  36.13075       35.18181 
1 1 1 14  5  6  o 127.968  17.455  153.989    37.983  191.682    56.151  122.190    51.574  138.946 24.013  108.479 27.261  30.46781       36.32882 
1 1 1 14  5  7  o 108.733  17.202  111.757    31.572  106.829    42.717  117.689    46.870  102.724 24.212  107.245 25.418  -4.521416      35.10374 
1 1 1 14  5  8  o 163.488  13.146  243.497    37.210  237.818    63.734  246.433    45.832  154.102 24.507  162.660 16.359  -8.558685      29.46553 
1 1 1 14  5  9  o 315.773  14.768  913.557    81.425  830.076    140.877 955.435    99.780  281.923 29.034  318.924 17.992  -37.00034      34.15627 
1 1 1 14  5  10 o 177.615  13.229  288.155    40.732  255.700    69.498  305.136    50.270  157.748 26.147  180.931 16.080  -23.18315      30.69613 
1 1 1 14  5  11 o 120.502  14.231  134.619    29.364  120.263    49.457  142.435    36.492  106.551 26.651  122.192 17.613  -15.64116      31.94482 
1 1 1 14  5  12 o 54.210   18.036  27.119     19.970  -2.0650    34.381  41.978     24.533  47.841  21.095  65.420  19.790  -17.57907      28.92480 
1 1 1 14  5  13 o 106.073  15.012  105.818    27.027  63.164     46.523  127.545    33.204  78.121  27.486  115.543 16.963  -37.42223      32.29889 
1 1 1 14  5  14 f 241.055  13.738  535.745    57.584  477.014    99.338  565.468    70.669  211.537 27.548  244.684 16.640  -33.14740      32.18368 
1 1 1 14  5  15 o 69.156   16.237  46.598     19.271  60.445     26.087  29.964     28.592  77.609  19.325  58.099  21.401  19.51004       28.83518 
1 1 1 14  5  16 o 39.988   16.003  9.1243     16.941  9.0797     22.145  9.1871     26.306  43.685  17.993  46.439  19.409  -2.754028      26.46608 
1 1 1 14  5  17 o 45.194   18.246  12.121     22.233  11.676     40.761  12.309     26.527  54.832  23.584  47.832  19.695  7.000069       30.72647 
1 1 1 14  5  18 o 38.739   16.359  4.3600     18.995  33.422     34.801  -7.9721    22.670  60.860  23.350  36.577  16.552  24.28314       28.62116 
1 1 1 14  5  19 f 197.458  13.714  365.336    46.988  416.244    83.266  341.550    56.917  196.678 24.798  186.800 17.660  9.878098       30.44307 
1 1 1 14  5  20 o 68.213   19.645  48.277     24.669  25.628     41.483  60.668     30.683  58.927  24.479  75.167  21.985  -16.24057      32.90243 
1 1 1 14  5  21 o 52.027   17.732  26.066     19.301  -1.7733    28.226  50.513     26.451  42.511  18.911  69.104  20.469  -26.59260      27.86726 
1 1 1 14  5  22 o 88.363   15.028  76.372     22.356  61.337     33.323  88.679     30.148  74.081  23.184  92.329  19.321  -18.24757      30.17992 
1 1 1 14  5  23 o 57.299   17.661  33.607     19.419  37.250     29.091  30.679     26.081  59.987  21.664  55.824  20.459  4.162655       29.79744 
1 1 1 14  5  24 o 108.819  12.990  113.188    24.194  152.937    35.332  78.100     33.197  123.283 16.855  83.159  22.373  40.12436       28.01147 
1 1 1 14  5  25 o 127.979  12.591  156.081    27.771  189.964    40.438  125.836    38.205  136.435 17.369  107.102 21.180  29.33237       27.39093 
1 1 1 14  5  26 o 87.190   14.197  75.141     20.870  100.644    30.770  53.414     28.401  97.205  18.809  68.393  21.404  28.81195       28.49390 
1 1 1 14  5  27 o 34.785   15.023  2.5828     16.678  -6.7636    24.440  10.729     22.817  36.985  16.911  42.843  18.002  -5.858063      24.69901 
1 1 1 14  5  28 o 26.717   12.798  -19.0424   17.055  -13.9717   23.006  -25.2291   25.412  33.489  15.686  32.433  15.558  1.056126       22.09304 
1 1 1 14  5  29 o 97.258   23.420  116.329    39.296  116.329    39.296  0.0000     0.0000  97.258  23.420  ?       ?       0.000000       23.41971 
1 1 1 14  5  30 o 40.454   18.425  -1.4471    28.663  -1.4471    28.663  0.0000     0.0000  40.454  18.425  ?       ?       0.000000       18.42532 
1 1 1 14  5  31 o 32.574   15.657  -23.9069   26.024  -23.9069   26.024  0.0000     0.0000  32.574  15.657  ?       ?       0.000000       15.65731 
1 1 1 14  5  32 o 38.067   16.481  6.6717     20.170  21.262     25.302  -18.7632   33.407  46.954  19.273  37.860  18.074  9.093555       26.42216 
1 1 1 14  5  33 o 48.299   19.002  25.485     23.503  10.101     28.719  56.685     40.899  43.013  19.107  61.346  24.754  -18.33293      31.27026 
1 1 1 14  5  34 o 25.497   12.476  -26.8316   18.571  -23.4820   22.190  -34.6630   33.930  29.240  14.154  34.482  16.871  -5.242455      22.02150 
1 1 1 14  5  35 o 41.690   18.009  13.519     23.975  13.707     27.389  12.903     49.592  42.857  18.866  47.711  22.558  -4.854191      29.40712 
1 1 1 14  5  36 f 43.939   18.124  20.288     22.511  38.866     29.821  -4.3207    34.321  52.927  21.214  39.642  18.750  13.28483       28.31241 
1 1 1 14  5  37 o 83.793   17.971  85.175     25.505  96.221     35.946  73.975     36.195  78.318  24.009  66.120  24.121  12.19804       34.03325 
1 1 1 14  5  38 o 47.494   18.407  28.973     21.787  42.540     30.524  14.884     31.107  52.702  21.343  42.461  19.283  10.24070       28.76418 
1 1 1 14  5  39 o 40.887   17.109  17.967     20.474  -0.6846    29.057  36.359     28.854  36.994  17.422  49.372  20.455  -12.37807      26.86865 
1 1 1 14  5  40 o 30.893   14.611  -7.2851    20.835  5.9165     32.347  -16.6448   27.237  39.009  18.374  32.145  15.589  6.863934       24.09596 
1 1 1 14  5  41 o 33.617   15.610  1.0818     21.996  10.951     34.796  -5.4873    28.388  39.925  18.882  34.534  16.534  5.391457       25.09799 
1 1 1 14  5  42 o 42.296   18.101  24.863     23.797  12.727     39.107  32.000     29.989  40.022  19.226  44.555  19.671  -4.533302      27.50611 
1 1 1 14  5  43 o 37.562   17.262  13.756     25.915  27.740     33.255  -7.8683    41.354  41.984  19.388  36.288  17.924  5.695873       26.40353 
1 1 1 14  6  0  o 118.346  12.690  127.974    25.813  103.175    41.973  143.057    32.735  100.549 24.200  123.920 15.466  -23.37083      28.71951 
1 1 1 14  6  1  o 122.668  12.409  137.244    26.213  94.800     42.707  162.897    33.202  95.671  25.211  132.719 14.567  -37.04845      29.11703 
1 1 1 14  6  2  o 85.275   14.829  68.388     21.278  59.708     36.752  72.765     26.097  76.886  24.387  86.775  17.820  -9.888321      30.20377 
1 1 1 14  6  3  o 110.919  14.248  114.220    26.956  99.319     46.054  121.986    33.247  96.923  26.467  113.120 17.389  -16.19685      31.66865 
1 1 1 14  6  4  o 104.234  15.085  101.898    26.657  117.671    44.619  93.145     33.241  106.738 24.464  97.013  20.277  9.725052       31.77465 
1 1 1 14  6  5  o 63.208   19.465  38.859     23.596  24.063     33.141  54.071     33.603  57.357  22.565  73.237  23.328  -15.87973      32.45556 
1 1 1 14  6  6  o 55.750   19.847  27.610     24.327  67.140     33.964  -14.0382   34.862  80.802  22.981  44.478  20.282  36.32433       30.65092 
1 1 1 14  6  7  o 108.282  18.013  113.613    32.860  102.031    45.296  126.481    47.744  97.522  26.090  109.317 25.484  -11.79480      36.47057 
1 1 1 14  6  8  o 66.769   18.053  43.997     21.552  42.666     26.229  46.764     37.817  65.581  20.576  69.094  24.730  -3.512711      32.17065 
1 1 1 14  6  9  o 129.935  12.014  154.811    26.949  151.768    38.795  157.650    37.465  124.856 18.342  128.064 17.188  -3.207771      25.13679 
1 1 1 14  6  10 o 55.889   17.213  30.185     18.452  31.239     27.589  29.331     24.820  58.383  21.096  56.503  20.054  1.880810       29.10673 
1 1 1 14  6  11 o 118.793  12.498  130.563    25.534  114.459    36.360  146.232    35.866  106.477 20.298  122.883 17.186  -16.40575      26.59647 
1 1 1 14  6  12 o 194.982  11.612  347.951    39.353  373.998    56.245  322.969    55.082  197.716 16.441  182.628 17.487  15.08786       24.00234 
1 1 1 14  6  13 o 97.948   13.238  90.170     22.060  91.531     30.599  88.696     31.833  95.304  19.054  93.043  20.176  2.261261       27.75094 
1 1 1 14  6  14 f 32.533   14.093  -0.0467    14.767  2.9932     20.929  -3.0600    20.837  39.504  16.943  36.796  16.314  2.708511       23.52008 
1 1 1 14  6  15 o 40.596   15.997  10.965     16.680  20.578     23.195  0.6693     24.005  49.934  19.085  40.707  17.797  9.227161       26.09551 
1 1 1 14  6  16 o 91.729   13.634  80.267     21.173  52.526     28.960  112.121    31.033  70.109  21.560  106.158 17.341  -36.04911      27.66808 
1 1 1 14  6  17 o 228.040  13.566  490.893    53.771  417.938    92.365  528.294    66.134  187.371 29.182  232.658 16.384  -45.28703      33.46695 
1 1 1 14  6  18 o 76.461   17.718  60.015     23.192  73.806     38.260  52.004     29.159  79.723  24.825  69.071  21.699  10.65263       32.97187 
1 1 1 14  6  19 o 108.105  14.833  114.014    27.260  76.069     42.707  140.104    35.413  79.095  26.378  117.416 17.834  -38.32095      31.84113 
1 1 1 14  6  20 o 55.382   19.982  30.914     24.740  26.925     30.746  38.242     41.670  54.563  21.649  61.641  24.946  -7.077888      33.03003 
1 1 1 14  6  21 f 63.880   18.354  43.439     21.557  29.647     31.282  55.911     29.747  55.600  21.907  70.142  21.898  -14.54153      30.97481 
1 1 1 14  6  22 o 39.689   16.689  7.5756     19.633  -5.1851    30.243  16.870     25.811  41.524  18.918  47.502  19.478  -5.978157      27.15307 
1 1 1 14  6  23 o 56.247   19.793  33.982     24.126  59.594     29.499  -17.7679   41.930  71.521  21.715  44.286  20.878  27.23466       30.12351 
1 1 1 14  6  24 o 100.902  16.972  106.332    28.841  124.577    37.264  79.076     45.546  104.901 21.076  75.546  27.129  29.35461       34.35392 
1 1 1 14  6  25 o 125.412  15.424  160.311    33.064  173.259    41.132  136.664    55.586  125.563 19.385  95.015  29.975  30.54708       35.69738 
1 1 1 14  6  26 o 134.950  15.694  187.899    36.290  191.062    45.874  182.608    59.324  128.651 21.157  110.977 29.929  17.67388       36.65249 
1 1 1 14  6  27 o 37.545   16.261  5.2538     19.650  19.743     26.268  -13.1573   29.611  47.253  19.542  37.606  17.672  9.646706       26.34741 
1 1 1 14  6  28 f 63.201   22.447  52.024     31.099  52.024     31.099  0.0000     0.0000  63.201  22.447  ?       ?       0.000000       22.44676 
1 1 1 14  6  29 o 48.466   19.944  23.897     27.179  23.897     27.179  0.0000     0.0000  48.466  19.944  ?       ?       0.000000       19.94402 
1 1 1 14  6  30 o 38.152   17.265  1.4687     24.673  1.4687     24.673  0.0000     0.0000  38.152  17.265  ?       ?       0.000000       17.26526 
1 1 1 14  6  31 o 35.014   15.260  4.7796     17.527  11.849     27.485  -0.0651    22.753  42.673  18.837  36.244  16.472  6.428814       25.02299 
1 1 1 14  6  32 o 59.012   18.085  42.505     20.396  50.654     32.711  37.321     26.090  58.716  22.610  53.509  20.291  5.206776       30.38005 
1 1 1 14  6  33 o 39.803   16.226  14.691     17.781  7.4238     27.674  19.801     23.205  40.324  18.264  43.860  18.272  -3.535698      25.83446 
1 1 1 14  6  34 o 50.397   19.125  33.104     23.187  35.539     30.444  29.741     35.780  50.649  21.000  48.465  21.437  2.184906       30.00931 
1 1 1 14  6  35 o 67.502   21.753  68.228     29.155  74.452     41.026  61.879     41.439  62.162  24.894  57.318  24.182  4.843765       34.70549 
1 1 1 14  6  36 o 33.804   15.020  4.8538     17.759  33.476     27.053  -16.8187   23.541  48.542  19.927  30.514  14.723  18.02802       24.77660 
1 1 1 14  6  37 f 85.244   17.151  89.791     24.644  125.363    37.119  61.749     32.956  88.511  23.590  58.518  22.650  29.99275       32.70306 
1 1 1 14  6  38 o 31.902   14.615  0.9847     18.380  -10.7676   27.584  10.370     24.650  33.217  16.005  37.769  17.158  -4.552540      23.46355 
1 1 1 14  6  39 o 37.478   16.788  12.629     22.663  16.345     36.589  10.316     28.868  40.785  19.311  38.142  17.768  2.642933       26.24113 
1 1 1 14  6  40 o 37.258   16.775  13.558     22.951  1.3681     36.978  21.196     29.271  37.157  18.052  40.501  18.514  -3.344467      25.85816 
1 1 1 14  6  41 o 49.899   19.482  44.218     24.547  62.952     37.465  30.128     32.492  50.445  22.139  42.050  19.326  8.395252       29.38787 
1 1 1 14  7  0  o 33.943   13.811  5.1562     12.852  -1.8195    18.862  11.201     17.558  35.868  15.726  41.763  16.426  -5.895035      22.74042 
1 1 1 14  7  1  o 117.023  11.420  125.467    23.038  112.126    32.856  138.369    32.312  106.817 18.273  120.532 15.728  -13.71461      24.10959 
1 1 1 14  7  2  o 90.460   12.444  76.156     19.134  83.126     29.640  71.175     25.054  90.993  19.256  84.995  17.466  5.998291       25.99731 
1 1 1 14  7  3  o 69.816   16.092  47.756     19.214  37.075     28.883  56.235     25.734  61.754  21.661  74.332  19.562  -12.57839      29.18681 
1 1 1 14  7  4  o 33.997   14.524  1.5473     15.274  5.0885     24.663  -0.6559    19.454  43.347  18.486  36.768  16.049  6.579414       24.48097 
1 1 1 14  7  5  o 62.105   18.591  38.700     21.734  53.614     28.563  18.189     33.496  71.715  21.277  53.672  22.120  18.04351       30.69184 
1 1 1 14  7  6  o 86.816   17.061  74.535     24.940  73.879     30.996  75.739     42.002  83.960  21.153  82.034  26.076  1.926338       33.57663 
1 1 1 14  7  7  o 79.338   20.083  65.370     27.846  65.250     40.234  65.481     38.579  76.559  25.604  76.876  25.044  -0.3170547     35.81538 
1 1 1 14  7  8  o 123.414  12.253  141.794    26.056  137.681    37.986  145.450    35.808  116.527 19.348  121.388 17.392  -4.860733      26.01560 
1 1 1 14  7  9  o 113.587  12.677  121.047    24.714  143.445    35.945  100.964    34.036  120.100 17.669  98.389  20.478  21.71097       27.04696 
1 1 1 14  7  10 o 68.913   16.586  47.760     19.717  53.259     29.294  43.206     26.660  70.355  21.692  64.214  20.813  6.140793       30.06191 
1 1 1 14  7  11 o 106.519  12.731  107.143    23.209  144.829    34.459  75.854     31.399  120.934 16.770  83.790  21.389  37.14359       27.17945 
1 1 1 14  7  12 o 89.996   14.330  78.581     21.763  107.874    33.358  56.872     28.717  101.797 19.477  72.259  21.307  29.53851       28.86781 
1 1 1 14  7  13 o 43.863   16.526  16.096     17.237  21.061     28.584  13.258     21.608  51.468  20.720  44.407  17.967  7.060974       27.42478 
1 1 1 14  7  14 o 105.787  12.925  106.853    23.378  120.356    35.606  96.621     30.995  106.646 19.852  95.860  19.188  10.78649       27.60886 
1 1 1 14  7  15 o 31.874   14.207  -2.9120    16.017  14.233     27.238  -11.9747   19.803  47.344  19.766  31.933  14.822  15.41164       24.70552 
1 1 1 14  7  16 f 34.331   14.706  2.7590     15.735  32.198     24.082  -19.1703   20.784  55.695  19.756  30.545  14.489  25.15048       24.49935 
1 1 1 14  7  17 o 43.517   16.830  15.761     18.185  40.838     30.311  1.6588     22.730  60.664  22.082  39.065  17.192  21.59839       27.98552 
1 1 1 14  7  18 o 36.887   16.050  2.5975     19.320  6.1158     28.054  -0.5762    26.645  43.771  19.185  40.579  18.188  3.192207       26.43652 
1 1 1 14  7  19 o 74.437   24.550  70.506     37.029  70.506     37.029  0.0000     0.0000  74.437  24.550  ?       ?       0.000000       24.54967 
1 1 1 14  7  20 o 53.799   20.291  30.833     26.001  30.833     26.001  0.0000     0.0000  53.799  20.291  ?       ?       0.000000       20.29123 
1 1 1 14  7  21 o 52.897   18.385  30.313     20.784  42.563     25.295  4.8583     36.463  60.526  20.301  46.267  20.959  14.25922       29.17864 
1 1 1 14  7  22 o 51.905   18.182  29.322     20.347  40.747     24.467  3.7084     36.636  59.096  19.965  45.629  20.801  13.46742       28.83223 
1 1 1 14  7  23 o 27.251   13.171  -22.9930   19.029  -2.3454    25.273  -50.0177   28.914  38.017  17.310  29.847  14.787  8.169720       22.76569 
1 1 1 14  7  24 o 63.789   19.315  48.371     23.361  39.118     30.226  62.099     36.816  56.388  21.729  66.389  24.311  -10.00142      32.60590 
1 1 1 14  7  25 o 80.260   18.531  74.392     25.443  56.616     32.409  102.950    41.078  64.372  22.909  83.941  25.655  -19.56837      34.39460 
1 1 1 14  7  26 o 60.718   18.486  44.069     21.358  37.820     26.477  55.710     36.137  54.974  20.527  61.892  23.782  -6.917297      31.41616 
1 1 1 14  7  27 o 29.504   13.858  -10.5310   18.177  -26.0947   20.800  39.778     37.396  27.559  13.423  54.372  22.957  -26.81339      26.59329 
1 1 1 14  7  28 o 74.725   19.209  68.931     25.202  76.870     29.674  48.383     47.739  75.819  21.452  55.713  24.697  20.10528       32.71275 
1 1 1 14  7  29 f 30.045   14.073  -8.6778    18.525  -16.4343   22.698  6.7973     32.060  30.908  14.794  41.771  19.198  -10.86267      24.23680 
1 1 1 14  7  30 o 57.455   17.898  41.283     19.885  34.365     27.994  48.330     28.252  50.598  20.457  57.691  21.270  -7.092899      29.51166 
1 1 1 14  7  31 o 39.389   16.099  15.063     17.561  38.705     24.934  -8.2106    24.739  52.780  19.878  33.767  15.955  19.01295       25.48944 
1 1 1 14  7  32 o 82.826   16.980  82.416     23.732  91.949     31.716  70.288     35.773  78.800  22.136  62.734  23.767  16.06683       32.47926 
1 1 1 14  7  33 o 40.291   16.436  17.729     18.257  -17.4034   26.525  49.362     25.169  31.932  15.461  57.443  20.216  -25.51088      25.45033 
1 1 1 14  7  34 o 48.842   17.700  32.405     19.443  26.306     28.003  38.082     27.018  44.353  19.311  49.500  20.068  -5.147556      27.85020 
1 1 1 14  7  35 o 30.357   13.871  0.3146     16.411  1.1589     22.938  -0.5707    23.490  34.048  15.853  33.775  15.829  0.2724419      22.40274 
1 1 1 14  7  36 o 26.298   12.434  -7.3778    15.070  13.195     21.768  -26.3098   20.882  37.320  16.604  25.913  12.787  11.40722       20.95727 
1 1 1 14  7  37 o 36.963   15.703  15.337     17.674  35.278     24.663  -5.7137    25.340  46.138  18.994  32.312  15.510  13.82621       24.52169 
1 1 1 14  8  0  o 89.664   12.521  76.017     19.068  63.001     27.211  88.576     26.729  77.157  20.024  94.184  16.873  -17.02677      26.18498 
1 1 1 14  8  1  o 145.078  11.207  194.807    28.169  198.788    40.900  191.215    38.853  141.709 16.860  139.531 16.252  2.178497       23.41794 
1 1 1 14  8  2  o 45.412   14.828  19.617     13.522  49.586     20.881  -2.0261    17.744  69.613  17.263  34.143  15.100  35.47002       22.93545 
1 1 1 14  8  3  o 87.699   14.132  74.607     20.905  75.454     28.751  73.657     30.450  84.311  19.858  82.337  21.087  1.973602       28.96559 
1 1 1 14  8  4  o 45.269   17.456  16.622     19.519  -3.3509    24.415  52.000     32.494  38.912  17.428  68.226  23.008  -29.31438      28.86386 
1 1 1 14  8  5  o 43.309   17.647  12.017     21.018  5.3643     26.152  24.155     35.324  43.290  18.754  54.899  22.680  -11.60919      29.42936 
1 1 1 14  8  6  o 81.093   18.076  68.611     24.940  64.588     31.996  74.841     39.814  75.289  22.561  78.590  25.430  -3.301140      33.99554 
1 1 1 14  8  7  o 41.284   17.467  7.5511     21.722  0.7467     27.867  18.087     34.676  42.356  18.818  51.929  22.026  -9.572647      28.96980 
1 1 1 14  8  8  o 110.590  13.182  117.814    24.953  105.829    37.331  127.494    33.549  96.460  22.566  110.984 17.923  -14.52441      28.81778 
1 1 1 14  8  9  o 54.464   17.328  30.776     18.545  29.138     29.112  31.894     24.058  54.591  21.243  55.362  19.734  -0.7709160     28.99529 
1 1 1 14  8  10 o 55.820   17.918  32.872     19.796  34.574     29.797  31.527     26.486  57.211  21.687  55.183  20.546  2.028629       29.87409 
1 1 1 14  8  11 o 58.312   19.452  37.077     23.222  53.814     30.436  13.758     35.926  67.645  22.254  49.900  21.795  17.74471       31.14951 
1 1 1 14  8  12 o 90.936   17.501  87.326     26.780  97.257     33.801  70.584     43.891  92.108  21.422  72.523  26.546  19.58555       34.11117 
1 1 1 14  8  13 o 35.998   15.895  0.6618     19.583  -3.9181    25.599  7.1230     30.405  38.477  17.481  44.871  19.809  -6.393871      26.41965 
1 1 1 14  8  14 o 40.753   16.775  11.230     19.235  18.115     25.797  2.6083     28.868  47.105  19.413  42.359  18.963  4.746616       27.13737 
1 1 1 14  8  15 o 32.926   14.816  -2.8504    17.874  -8.6373    22.149  7.9548     30.265  34.228  15.812  44.596  19.722  -10.36781      25.27763 
1 1 1 14  8  16 o 52.853   19.985  30.585     25.264  25.513     39.361  34.138     32.946  52.934  22.970  55.221  22.240  -2.287785      31.97266 
1 1 1 14  8  17 o 57.276   21.102  39.193     27.801  55.305     40.821  25.256     37.967  63.379  25.009  52.123  22.589  11.25595       33.69999 
1 1 1 14  8  18 o 38.563   17.047  3.9926     22.589  16.521     35.757  -4.3279    29.140  48.356  21.408  39.426  18.186  8.929867       28.08989 
1 1 1 14  8  19 o 45.176   17.028  20.787     18.303  24.906     21.285  9.1027     35.851  48.244  18.320  45.770  20.753  2.474281       27.68261 
1 1 1 14  8  20 o 28.079   12.861  -5.2136    14.221  -7.1827    17.742  -1.6747    23.785  30.539  14.123  36.770  16.762  -6.231390      21.91842 
1 1 1 14  8  21 o 77.073   16.057  65.223     20.907  68.608     28.137  61.051     31.240  73.260  20.945  66.492  22.559  6.768555       30.78361 
1 1 1 14  8  22 o 46.802   16.641  24.331     17.097  18.214     22.140  33.369     26.911  43.738  18.000  51.975  20.369  -8.236309      27.18264 
1 1 1 14  8  23 o 34.185   14.557  6.3426     15.253  -4.9659    20.026  21.968     23.540  32.613  15.055  45.583  18.636  -12.97026      23.95762 
1 1 1 14  8  24 o 96.972   13.909  99.522     22.876  84.881     30.691  117.825    34.315  79.219  21.596  95.280  21.176  -16.06017      30.24530 
1 1 1 14  8  25 o 61.831   16.375  44.755     17.959  44.886     24.135  44.592     26.883  57.788  19.827  56.400  20.756  1.387524       28.70379 
1 1 1 14  8  26 o 48.463   18.300  29.503     21.164  42.555     24.943  -4.0491    39.992  55.341  20.049  40.919  19.600  14.42192       28.03764 
1 1 1 14  8  27 o 35.024   15.996  1.6766     21.789  4.7269     23.992  -12.6838   52.058  37.099  16.882  41.928  20.592  -4.828831      26.62741 
1 1 1 14  8  28 o 61.386   20.885  56.665     26.775  62.685     31.258  40.079     51.886  61.528  22.420  49.208  23.206  12.32043       32.26780 
1 1 1 14  8  29 o 45.829   18.055  27.676     21.244  29.715     28.655  25.187     31.655  46.188  19.818  44.603  19.920  1.585114       28.09896 
1 1 1 14  8  30 o 43.717   17.202  24.572     19.264  32.864     25.846  14.207     28.897  47.123  19.427  40.208  18.386  6.914665       26.74733 
1 1 1 14  8  31 o 44.506   17.312  26.796     19.328  14.928     25.408  43.095     29.776  39.206  17.652  49.825  20.722  -10.61863      27.22113 
1 1 1 14  8  32 f 27.430   13.031  -8.2277    16.937  -22.5014   21.541  14.888     27.413  27.066  13.283  38.934  17.841  -11.86805      22.24327 
1 1 1 14  8  33 o 27.941   13.289  -7.4176    17.711  -8.2123    23.645  -6.4019    26.732  31.003  14.908  32.709  15.759  -1.705618      21.69316 
1 1 1 14  9  0  f 117.859  13.577  135.852    27.429  136.106    35.657  135.483    42.929  112.861 18.752  106.902 23.628  5.958664       30.16475 
1 1 1 14  9  1  o 65.684   16.185  45.157     18.442  55.120     25.170  33.608     27.098  70.053  19.734  55.926  20.789  14.12737       28.66436 
1 1 1 14  9  2  o 137.085  13.736  184.658    32.437  201.160    40.290  154.258    54.686  139.309 16.910  105.585 28.845  33.72433       33.43637 
1 1 1 14  9  3  o 95.839   15.346  93.560     24.814  104.267    30.888  74.075     41.669  98.002  18.734  74.142  26.017  23.86022       32.05969 
1 1 1 14  9  4  o 54.492   19.982  32.229     24.886  32.229     24.886  0.0000     0.0000  54.492  19.982  ?       ?       0.000000       19.98224 
1 1 1 14  9  5  o 51.828   21.427  25.252     31.563  25.252     31.563  0.0000     0.0000  51.828  21.427  ?       ?       0.000000       21.42657 
1 1 1 14  9  6  o 130.665  18.032  183.896    40.044  183.896    40.044  0.0000     0.0000  130.665 18.032  ?       ?       0.000000       18.03212 
1 1 1 14  9  7  o 133.973  13.989  179.772    32.241  176.235    40.112  186.229    54.193  126.697 18.694  117.729 26.946  8.967949       32.79495 
1 1 1 14  9  8  o 55.726   17.943  34.633     19.839  31.296     24.196  41.479     34.657  53.100  19.664  58.353  23.037  -5.252968      30.28825 
1 1 1 14  9  9  o 66.835   18.455  50.982     22.245  51.304     27.476  50.370     37.900  64.556  21.140  61.633  24.168  2.922497       32.10896 
1 1 1 14  9  10 f 66.313   16.180  47.715     18.568  50.052     25.864  45.230     26.673  64.069  20.472  60.693  20.842  3.376034       29.21502 
1 1 1 14  9  11 f 96.857   15.603  99.150     25.492  79.175     41.765  111.010    32.182  72.466  25.983  98.007  19.492  -25.54099      32.48169 
1 1 1 14  9  12 o 40.068   16.019  13.611     16.956  9.9683     23.494  17.569     24.495  41.185  17.809  44.947  18.753  -3.762039      25.86158 
1 1 1 14  9  13 o 38.624   15.897  11.198     17.274  8.8628     24.663  13.446     24.200  41.055  17.992  42.761  18.276  -1.705502      25.64586 
1 1 1 14  9  14 o 37.270   15.867  8.1585     18.113  -4.2371    27.298  17.908     24.210  37.750  17.480  44.522  18.615  -6.771347      25.53529 
1 1 1 14  9  15 o 110.647  16.272  134.235    30.499  163.044    53.393  120.284    37.157  98.667  29.042  95.642  22.607  3.024788       36.80405 
1 1 1 14  9  16 o 44.648   17.966  20.528     21.481  42.648     38.175  10.278     25.986  55.038  23.214  41.416  18.297  13.62234       29.55797 
1 1 1 14  9  17 o 53.738   20.868  38.356     28.046  0.0000     0.0000  38.356     28.046  ?       ?       53.738  20.868  0.000000       20.86778 
1 1 1 14  9  18 o 108.246  13.555  122.944    25.058  99.100     34.924  148.245    35.975  83.176  23.181  110.107 19.422  -26.93178      30.24189 
1 1 1 14  9  19 o 67.852   16.854  54.284     19.877  26.156     28.278  81.755     27.946  47.155  19.939  79.319  20.141  -32.16445      28.34134 
1 1 1 14  9  20 o 18.616   9.2733  -26.3873   12.006  -13.9915   14.967  -48.7587   20.107  25.037  11.992  22.562  11.348  2.474829       16.51010 
1 1 1 14  9  21 o 65.832   17.160  52.948     19.927  41.530     27.268  66.034     29.191  53.416  20.623  66.310  21.794  -12.89466      30.00430 
1 1 1 14  9  22 o 41.909   15.932  19.980     16.109  26.690     21.289  10.993     24.638  45.987  18.088  39.290  17.559  6.696617       25.20861 
1 1 1 14  9  23 o 34.389   14.738  8.3609     15.816  8.0842     19.848  8.8424     26.180  36.082  15.963  38.648  17.605  -2.566154      23.76466 
1 1 1 14  9  24 o 51.198   17.813  35.504     19.513  20.865     24.622  60.219     31.993  42.265  18.254  58.276  22.381  -16.01064      28.88109 
1 1 1 14  9  25 o 50.906   21.283  45.470     31.647  66.005     37.663  -3.8593    58.374  56.444  23.376  41.537  20.651  14.90728       31.19148 
1 1 1 14  9  26 o 56.068   19.194  47.559     22.615  40.039     25.147  79.367     51.719  49.973  19.657  53.263  24.444  -3.290802      31.36729 
1 1 1 14  9  27 o 30.412   14.002  0.1853     17.158  -2.7587    18.138  25.264     52.937  29.949  13.995  42.823  20.977  -12.87342      25.21703 
1 1 1 14  9  28 o 29.022   13.354  -0.2272    15.575  12.971     18.184  -36.5773   30.178  35.913  15.599  29.110  14.533  6.803473       21.31932 
1 1 1 14  10 0  o 47.941   17.449  24.756     18.924  9.1510     21.363  81.639     40.787  39.871  17.109  73.755  25.748  -33.88374      30.91384 
1 1 1 14  10 1  o 34.241   14.305  6.6276     14.281  12.544     17.832  -3.9557    23.849  39.791  16.239  36.170  16.599  3.621418       23.22114 
1 1 1 14  10 2  o 31.767   13.729  2.9029     13.946  -8.7745    17.177  25.491     23.890  29.491  13.727  48.578  19.143  -19.08642      23.55627 
1 1 1 14  10 3  o 50.146   17.322  28.384     18.437  36.543     21.137  2.4296     37.698  55.476  18.558  44.076  20.455  11.39970       27.61897 
1 1 1 14  10 4  o 31.130   14.006  -1.5761    15.966  5.8661     18.245  -25.9055   32.988  36.200  15.674  35.773  17.302  0.4267845      23.34566 
1 1 1 14  10 5  o 78.771   16.949  69.944     22.620  67.455     26.533  76.564     43.275  73.491  20.099  67.858  26.037  5.633606       32.89204 
1 1 1 14  10 6  o 85.642   14.640  78.067     21.105  54.290     27.813  110.347    32.407  63.594  21.287  94.831  20.190  -31.23709      29.33952 
1 1 1 14  10 7  o 43.812   16.238  20.515     16.508  11.271     21.551  33.638     25.678  40.005  17.176  51.893  20.019  -11.88762      26.37727 
1 1 1 14  10 8  o 58.096   16.624  39.256     17.717  26.661     23.802  54.906     26.532  47.924  19.037  63.981  20.765  -16.05648      28.17131 
1 1 1 14  10 9  f 75.861   16.472  65.651     21.194  75.569     29.473  55.031     30.497  74.564  21.473  61.429  22.182  13.13436       30.87261 
1 1 1 14  10 10 o 26.671   12.477  -8.1958    14.485  5.1756     19.502  -24.6506   21.634  35.835  15.840  28.178  13.717  7.657436       20.95406 
1 1 1 14  10 11 o 29.540   13.501  -3.0765    15.560  12.492     21.897  -18.9556   22.115  39.903  17.224  29.713  14.320  10.19003       22.39948 
1 1 1 14  10 12 o 50.029   17.158  30.644     18.073  22.945     25.154  38.860     25.985  45.045  18.913  52.938  20.208  -7.892979      27.67829 
1 1 1 14  10 13 o 59.346   19.824  48.757     24.120  58.957     47.785  45.270     27.940  55.269  24.594  55.295  20.991  -0.2685928E-01 32.33447 
1 1 1 14  10 14 o 25.328   12.390  -23.6778   18.276  -54.3847   38.789  -14.9155   20.720  32.631  16.318  29.322  14.062  3.308697       21.54103 
1 1 1 14  10 15 o 50.914   19.172  36.146     23.190  62.947     45.930  26.976     26.866  55.189  24.356  45.774  19.399  9.415443       31.13805 
1 1 1 14  10 16 o 60.285   17.086  46.075     18.808  43.144     25.392  49.638     27.996  53.596  20.085  55.882  21.060  -2.285156      29.10230 
1 1 1 14  10 17 o 49.288   18.184  33.509     20.653  48.500     32.614  23.472     26.686  52.664  21.777  43.449  18.884  9.214264       28.82434 
1 1 1 14  10 18 o 29.225   13.427  -1.7052    15.666  7.1438     21.399  -11.9243   22.996  35.708  16.127  30.777  14.774  4.931606       21.87065 
1 1 1 14  10 19 o 62.892   18.153  54.475     21.042  39.864     28.343  72.419     31.410  48.965  20.279  63.194  22.546  -14.22929      30.32417 
1 1 1 14  10 20 o 38.553   16.123  16.984     18.166  26.382     24.060  4.5233     27.705  43.203  18.337  36.289  17.066  6.914059       25.04985 
1 1 1 14  11 0  o 57.080   19.066  43.533     22.309  34.249     35.411  49.643     28.727  49.514  21.632  57.478  21.398  -7.963879      30.42725 
1 1 1 14  11 1  o 50.924   20.527  36.920     28.091  66.825     37.955  0.6932     41.774  60.863  24.083  41.854  20.043  19.00824       31.33272 
1 1 1 14  11 2  o 27.665   12.916  -6.7635    15.394  -2.3270    17.181  -24.8209   34.662  30.728  14.097  34.906  17.072  -4.177767      22.14018 
1 1 1 14  11 3  o 49.305   17.739  31.381     19.483  23.277     22.368  56.853     39.658  44.144  18.121  55.430  23.535  -11.28635      29.70298 
1 1 1 14  11 4  f 43.024   16.949  21.864     18.722  9.3164     21.457  61.886     38.321  37.389  16.567  57.241  23.632  -19.85181      28.86076 
1 1 1 14  11 5  o 44.492   16.970  24.488     18.315  23.076     20.191  31.041     43.503  43.532  17.453  46.927  21.844  -3.395092      27.96025 
1 1 1 14  11 6  o 90.822   14.755  93.793     22.595  110.500    30.031  71.996     34.301  91.144  19.462  62.880  23.387  28.26484       30.42568 
1 1 1 14  11 7  o 95.212   14.420  102.584    23.223  98.162     31.486  107.859    34.391  80.472  21.847  82.078  23.049  -1.605965      31.75755 
1 1 1 15  0  0  o 47.862   19.959  28.623     16.672  28.623     16.672  28.623     16.672  47.862  19.959  47.862  19.959  0.000000       0.000000 
1 1 1 15  0  1  o 26.827   15.723  7.5286     12.372  7.5286     12.372  7.5286     12.372  26.827  15.723  26.827  15.723  0.000000       0.000000 
1 1 1 15  0  2  o 158.474  14.695  227.542    39.858  227.542    39.858  227.542    39.858  158.474 14.695  158.474 14.695  0.000000       0.000000 
1 1 1 15  0  3  o 124.284  15.096  142.411    31.473  142.411    31.473  142.411    31.473  124.284 15.096  124.284 15.096  0.000000       0.000000 
1 1 1 15  0  4  o 122.661  15.484  139.257    31.725  139.257    31.725  139.257    31.725  122.661 15.484  122.661 15.484  0.000000       0.000000 
1 1 1 15  0  5  o 272.961  24.091  688.020    112.762 688.020    112.762 688.020    112.762 272.961 24.091  272.961 24.091  0.000000       0.000000 
1 1 1 15  0  6  o 200.095  22.263  372.563    75.320  372.563    75.320  372.563    75.320  200.095 22.263  200.095 22.263  0.000000       0.000000 
1 1 1 15  0  7  o 16.816   11.472  -6.2162    10.455  -6.2162    10.455  -6.2162    10.455  16.816  11.472  16.816  11.472  0.000000       0.000000 
1 1 1 15  0  8  o 156.182  22.097  231.477    56.782  231.477    56.782  231.477    56.782  156.182 22.097  156.182 22.097  0.000000       0.000000 
1 1 1 15  0  9  f 213.125  22.460  422.451    81.456  422.451    81.456  422.451    81.456  213.125 22.460  213.125 22.460  0.000000       0.000000 
1 1 1 15  0  10 o 182.089  16.956  302.484    52.836  302.484    52.836  302.484    52.836  182.089 16.956  182.089 16.956  0.000000       0.000000 
1 1 1 15  0  11 o 221.449  16.485  443.325    62.929  443.325    62.929  443.325    62.929  221.449 16.485  221.449 16.485  0.000000       0.000000 
1 1 1 15  0  12 o 80.707   24.636  72.645     30.329  72.645     30.329  72.645     30.329  80.707  24.636  80.707  24.636  0.000000       0.000000 
1 1 1 15  0  13 o 157.327  17.259  228.410    45.959  228.410    45.959  228.410    45.959  157.327 17.259  157.327 17.259  0.000000       0.000000 
1 1 1 15  0  14 o 107.908  31.568  130.594    51.659  130.594    51.659  130.594    51.659  107.908 31.568  107.908 31.568  0.000000       0.000000 
1 1 1 15  0  15 o 153.463  17.751  218.688    45.908  218.688    45.908  218.688    45.908  153.463 17.751  153.463 17.751  0.000000       0.000000 
1 1 1 15  0  16 o 67.059   27.239  57.091     31.272  57.091     31.272  57.091     31.272  67.059  27.239  67.059  27.239  0.000000       0.000000 
1 1 1 15  0  17 o 19.045   13.686  -36.4356   22.003  -36.4356   22.003  -36.4356   22.003  19.045  13.686  19.045  13.686  0.000000       0.000000 
1 1 1 15  0  18 o 129.120  19.352  159.465    40.741  159.465    40.741  159.465    40.741  129.120 19.352  129.120 19.352  0.000000       0.000000 
1 1 1 15  0  19 f 58.769   27.099  46.552     30.579  46.552     30.579  46.552     30.579  58.769  27.099  58.769  27.099  0.000000       0.000000 
1 1 1 15  0  20 o 139.425  18.577  183.945    42.978  183.945    42.978  183.945    42.978  139.425 18.577  139.425 18.577  0.000000       0.000000 
1 1 1 15  0  21 o 40.332   25.522  9.5555     38.615  9.5555     38.615  9.5555     38.615  40.332  25.522  40.332  25.522  0.000000       0.000000 
1 1 1 15  0  22 o 33.763   22.576  -9.0583    36.730  -9.0583    36.730  -9.0583    36.730  33.763  22.576  33.763  22.576  0.000000       0.000000 
1 1 1 15  0  23 o 64.828   32.875  61.119     46.438  61.119     46.438  61.119     46.438  64.828  32.875  64.828  32.875  0.000000       0.000000 
1 1 1 15  0  24 o 63.768   35.538  60.369     58.819  60.369     58.819  60.369     58.819  63.768  35.538  63.768  35.538  0.000000       0.000000 
1 1 1 15  0  25 o 46.786   26.926  28.489     35.257  28.489     35.257  28.489     35.257  46.786  26.926  46.786  26.926  0.000000       0.000000 
1 1 1 15  0  26 o 44.496   26.151  24.451     34.391  24.451     34.391  24.451     34.391  44.496  26.151  44.496  26.151  0.000000       0.000000 
1 1 1 15  0  27 o 205.832  17.872  395.018    63.116  395.018    63.116  395.018    63.116  205.832 17.872  205.832 17.872  0.000000       0.000000 
1 1 1 15  0  28 o 155.412  29.507  255.290    71.672  255.290    71.672  255.290    71.672  155.412 29.507  155.412 29.507  0.000000       0.000000 
1 1 1 15  0  29 o 27.804   19.544  -34.8666   36.715  -34.8666   36.715  -34.8666   36.715  27.804  19.544  27.804  19.544  0.000000       0.000000 
1 1 1 15  0  30 o 46.310   28.392  24.739     44.085  24.739     44.085  24.739     44.085  46.310  28.392  46.310  28.392  0.000000       0.000000 
1 1 1 15  0  31 o 64.446   33.555  65.560     49.192  65.560     49.192  65.560     49.192  64.446  33.555  64.446  33.555  0.000000       0.000000 
1 1 1 15  0  32 o 39.734   26.410  -1.1036    48.973  -1.1036    48.973  -1.1036    48.973  39.734  26.410  39.734  26.410  0.000000       0.000000 
1 1 1 15  0  33 o 56.846   33.124  51.212     54.388  51.212     54.388  51.212     54.388  56.846  33.124  56.846  33.124  0.000000       0.000000 
1 1 1 15  0  34 o 63.885   34.233  68.162     52.401  68.162     52.401  68.162     52.401  63.885  34.233  63.885  34.233  0.000000       0.000000 
1 1 1 15  0  35 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 15  0  36 o 58.227   31.584  56.105     45.113  56.105     45.113  56.105     45.113  58.227  31.584  58.227  31.584  0.000000       0.000000 
1 1 1 15  0  37 o 32.600   21.993  -7.1302    36.319  -7.1302    36.319  -7.1302    36.319  32.600  21.993  32.600  21.993  0.000000       0.000000 
1 1 1 15  0  38 o 58.595   31.675  58.622     45.231  58.622     45.231  58.622     45.231  58.595  31.675  58.595  31.675  0.000000       0.000000 
1 1 1 15  0  39 o 16.133   11.808  -49.8810   21.011  -49.8810   21.011  -49.8810   21.011  16.133  11.808  16.133  11.808  0.000000       0.000000 
1 1 1 15  0  40 o 35.135   21.935  12.955     27.494  12.955     27.494  12.955     27.494  35.135  21.935  35.135  21.935  0.000000       0.000000 
1 1 1 15  0  41 o 31.734   20.570  5.3426     27.034  5.3426     27.034  5.3426     27.034  31.734  20.570  31.734  20.570  0.000000       0.000000 
1 1 1 15  0  42 o 36.571   22.968  15.212     30.619  15.212     30.619  15.212     30.619  36.571  22.968  36.571  22.968  0.000000       0.000000 
1 1 1 15  0  43 o 53.328   28.261  49.397     35.360  49.397     35.360  49.397     35.360  53.328  28.261  53.328  28.261  0.000000       0.000000 
1 1 1 15  0  44 o 29.354   19.810  -3.7339    29.508  -3.7339    29.508  -3.7339    29.508  29.354  19.810  29.354  19.810  0.000000       0.000000 
1 1 1 15  1  0  o 55.978   13.442  29.294     12.973  31.635     16.324  25.280     21.375  57.989  15.725  54.090  18.653  3.898487       24.39727 
1 1 1 15  1  1  o 38.942   13.321  12.674     10.894  10.737     13.721  15.978     17.919  39.257  14.754  45.941  16.939  -6.683857      22.46355 
1 1 1 15  1  2  o 45.474   13.463  18.970     11.444  22.672     14.422  12.675     18.807  49.721  15.202  44.300  17.120  5.421856       22.89543 
1 1 1 15  1  3  o 127.601  11.792  146.981    25.976  144.640    32.112  151.412    44.184  125.339 14.969  125.375 20.921  -0.3544617E-01 25.72433 
1 1 1 15  1  4  o 112.563  11.697  114.653    22.654  116.045    27.928  111.976    38.736  112.183 14.604  107.067 21.468  5.115936       25.96409 
1 1 1 15  1  5  o 43.815   14.007  17.179     12.107  33.750     16.393  -2.7028    17.956  59.654  15.572  35.070  15.361  24.58486       21.87287 
1 1 1 15  1  6  o 121.100  10.530  131.881    22.044  147.836    31.529  116.624    30.832  126.683 14.516  111.579 16.307  15.10397       21.83182 
1 1 1 15  1  7  o 55.596   13.261  29.067     12.693  19.380     18.840  37.117     17.175  48.562  17.447  62.385  15.761  -13.82355      23.51236 
1 1 1 15  1  8  o 166.856  12.540  252.850    36.266  280.574    63.799  239.615    44.081  169.315 22.108  160.524 15.938  8.790161       27.25393 
1 1 1 15  1  9  o 54.912   17.463  28.123     18.836  61.524     35.277  14.803     22.278  78.011  23.760  47.448  18.550  30.56342       30.14383 
1 1 1 15  1  10 o 146.061  12.962  195.157    32.713  167.464    56.094  209.431    40.271  126.805 26.201  149.846 15.621  -23.04033      30.50453 
1 1 1 15  1  11 o 157.283  12.971  226.494    35.304  187.122    62.415  245.016    42.810  132.392 27.881  162.192 15.297  -29.80008      31.80181 
1 1 1 15  1  12 o 58.977   18.440  33.409     21.087  54.313     36.437  22.883     25.856  73.278  24.362  53.532  20.224  19.74599       31.66234 
1 1 1 15  1  13 o 163.119  11.638  242.115    32.929  242.827    45.872  241.359    47.300  160.051 16.658  159.074 17.309  0.9767151      24.02277 
1 1 1 15  1  14 o 182.947  11.663  304.881    37.061  272.086    52.086  338.512    52.746  168.048 18.033  189.336 16.108  -21.28758      24.17947 
1 1 1 15  1  15 o 201.792  11.647  371.382    40.862  326.508    57.434  417.378    58.147  183.697 18.143  210.104 15.970  -26.40775      24.17036 
1 1 1 15  1  16 o 126.653  12.659  148.533    27.619  144.967    37.199  152.915    41.229  121.688 18.055  123.786 19.738  -2.097435      26.75045 
1 1 1 15  1  17 o 126.422  12.803  148.600    27.872  136.316    37.104  164.509    42.224  117.127 18.777  128.304 19.458  -11.17695      27.04067 
1 1 1 15  1  18 o 128.708  15.924  159.591    35.023  134.332    64.324  170.234    41.755  102.887 32.213  130.649 18.849  -27.76176      37.32274 
1 1 1 15  1  19 o 82.898   19.966  71.394     28.556  91.731     57.625  64.774     32.877  85.973  30.553  77.280  22.802  8.693184       38.12354 
1 1 1 15  1  20 f 61.350   20.349  38.607     25.429  39.653     54.479  38.316     28.753  66.464  27.866  61.382  21.607  5.081936       35.26164 
1 1 1 15  1  21 o 69.882   20.882  52.381     27.440  29.423     56.391  59.503     31.409  63.278  27.477  73.531  22.425  -10.25245      35.46613 
1 1 1 15  1  22 o 71.192   23.599  57.301     34.200  46.117     51.975  65.841     45.417  66.735  27.535  74.125  27.023  -7.389870      38.57978 
1 1 1 15  1  23 o 56.173   21.848  30.026     30.781  30.026     30.781  0.0000     0.0000  56.173  21.848  ?       ?       0.000000       21.84809 
1 1 1 15  1  24 o 113.168  21.172  139.781    40.298  139.781    40.298  0.0000     0.0000  113.168 21.172  ?       ?       0.000000       21.17215 
1 1 1 15  1  25 o 93.806   24.564  106.135    40.710  106.135    40.710  0.0000     0.0000  93.806  24.564  ?       ?       0.000000       24.56410 
1 1 1 15  1  26 o 36.952   16.346  0.2338     20.803  -34.2428   30.121  31.677     28.765  34.147  16.520  55.287  21.225  -21.13985      26.89560 
1 1 1 15  1  27 o 42.724   18.090  10.419     23.326  -1.6771    43.440  15.320     27.651  47.943  22.147  46.850  19.758  1.093498       29.67935 
1 1 1 15  1  28 o 64.568   20.432  48.741     25.812  26.359     45.371  59.451     31.385  55.066  24.260  69.266  22.590  -14.20044      33.14872 
1 1 1 15  1  29 o 77.794   20.562  71.510     28.354  67.105     48.368  73.816     34.997  67.399  27.017  75.066  23.796  -7.666466      36.00196 
1 1 1 15  1  30 o 59.260   19.328  41.223     22.975  46.457     31.630  35.377     33.428  60.410  22.460  55.079  22.325  5.331303       31.66787 
1 1 1 15  1  31 o 52.134   20.532  31.105     27.464  72.249     44.760  6.2624     34.781  67.780  26.351  44.589  20.304  23.19130       33.26587 
1 1 1 15  1  32 o 34.748   15.600  0.2290     19.686  16.783     26.229  -21.1276   29.791  44.731  19.070  35.059  16.826  9.671864       25.43144 
1 1 1 15  1  33 o 49.799   19.529  29.119     24.749  31.949     31.062  24.199     40.955  51.319  21.239  49.711  22.393  1.607208       30.86355 
1 1 1 15  1  34 o 65.708   23.370  65.368     33.720  60.253     49.358  69.845     46.176  58.601  25.572  62.330  25.854  -3.728771      36.36476 
1 1 1 15  1  35 o 44.579   19.610  18.601     29.541  24.158     44.062  14.063     39.815  48.351  22.324  45.364  21.042  2.986633       30.67778 
1 1 1 15  1  36 o 62.277   23.122  63.062     33.499  50.404     49.438  73.807     45.549  53.470  24.293  60.988  25.519  -7.518356      35.23360 
1 1 1 15  1  37 o 40.451   18.448  10.233     28.850  20.783     43.654  2.0520     38.441  45.760  21.489  41.017  19.528  4.743797       29.03598 
1 1 1 15  1  38 o 46.484   20.871  29.709     35.242  60.909     45.983  -14.7052   54.863  54.009  24.073  41.237  20.418  12.77136       31.56622 
1 1 1 15  1  39 o 33.273   15.604  -2.8210    22.884  -8.4411    25.568  19.815     51.313  33.103  15.806  44.239  21.441  -11.13663      26.63668 
1 1 1 15  1  40 o 57.835   21.388  58.073     28.606  55.763     32.770  65.471     58.640  54.058  22.032  49.541  23.731  4.516987       32.38113 
1 1 1 15  1  41 o 38.049   16.724  15.367     21.451  -1.6678    27.751  40.655     33.812  34.564  16.493  46.773  20.757  -12.20890      26.51191 
1 1 1 15  1  42 o 49.226   19.076  40.614     23.399  48.976     31.968  30.963     34.343  48.884  20.952  42.717  19.718  6.166725       28.77129 
1 1 1 15  1  43 o 42.008   17.493  27.364     21.259  21.872     28.162  34.640     32.413  39.310  18.039  42.739  19.515  -3.428970      26.57568 
1 1 1 15  2  0  f 103.592  11.622  97.152     20.660  107.930    26.029  78.799     33.965  108.395 14.086  89.436  21.920  18.95912       26.05555 
1 1 1 15  2  1  o 65.331   13.344  39.816     14.707  38.531     19.983  41.335     21.724  63.550  17.468  65.686  18.274  -2.135635      25.27947 
1 1 1 15  2  2  o 38.055   13.677  11.307     11.578  10.895     14.027  12.189     20.509  39.527  14.905  45.079  17.746  -5.551632      23.17482 
1 1 1 15  2  3  o 201.536  10.276  363.059    36.042  331.116    49.775  398.266    52.257  189.871 15.140  208.796 14.422  -18.92514      20.90952 
1 1 1 15  2  4  o 43.808   14.983  16.418     13.781  16.358     17.373  16.521     22.634  45.693  16.705  48.836  18.807  -3.143448      25.15466 
1 1 1 15  2  5  o 110.577  14.524  113.216    27.364  105.839    48.136  116.739    33.262  100.660 26.881  110.808 17.793  -10.14839      32.23629 
1 1 1 15  2  6  o 64.239   15.999  39.497     17.878  45.559     25.385  33.531     25.184  68.331  20.000  60.217  20.256  8.113194       28.46600 
1 1 1 15  2  7  o 68.489   15.868  44.902     18.604  59.849     25.532  27.984     27.164  78.188  18.909  57.328  20.899  20.86047       28.18358 
1 1 1 15  2  8  o 127.752  11.674  148.249    25.752  142.438    36.223  154.187    36.618  122.377 17.446  127.746 16.826  -5.368607      24.23774 
1 1 1 15  2  9  o 82.463   14.922  64.283     20.695  82.471     29.779  47.293     28.782  91.651  19.222  69.136  21.532  22.51529       28.86379 
1 1 1 15  2  10 f 107.314  14.448  107.570    26.385  82.627     45.723  120.024    32.307  87.795  27.106  112.098 17.043  -24.30338      32.01820 
1 1 1 15  2  11 o 33.784   14.664  -0.7877    16.049  -2.7445    31.684  -0.1124    18.613  45.709  20.198  36.586  15.836  9.122356       25.66600 
1 1 1 15  2  12 f 29.127   13.231  -7.3606    14.657  -18.6149   26.184  -2.2247    17.688  36.509  16.978  34.667  15.213  1.841972       22.79717 
1 1 1 15  2  13 o 116.674  14.026  127.271    28.001  102.802    47.793  140.060    34.553  96.416  27.205  120.789 16.841  -24.37300      31.99602 
1 1 1 15  2  14 o 71.665   17.747  51.015     22.090  72.696     39.789  41.355     26.559  81.979  25.282  64.345  20.765  17.63359       32.71616 
1 1 1 15  2  15 o 74.709   21.511  58.053     29.582  47.036     45.616  66.049     38.861  69.409  26.708  78.115  25.108  -8.705269      36.65720 
1 1 1 15  2  16 o 40.950   16.600  9.1680     18.484  -22.2227   39.534  17.949     20.910  44.565  20.771  47.641  18.142  -3.075974      27.57817 
1 1 1 15  2  17 o 101.205  22.482  108.750    38.696  92.001     60.289  120.484    50.462  86.345  31.187  101.916 27.653  -15.57068      41.68103 
1 1 1 15  2  18 o 64.806   22.476  43.509     31.057  56.367     53.517  36.981     38.135  72.392  28.613  62.555  24.322  9.837399       37.55301 
1 1 1 15  2  19 o 124.251  19.551  157.920    41.014  159.131    61.549  156.954    55.007  112.650 30.529  115.535 27.638  -2.884659      41.18155 
1 1 1 15  2  20 o 50.435   20.722  17.378     29.286  33.025     50.880  9.6260     35.814  62.962  26.691  50.405  21.892  12.55647       34.52080 
1 1 1 15  2  21 o 66.345   20.329  47.228     25.774  64.690     45.811  39.141     31.176  73.501  27.087  61.267  22.381  12.23378       35.13731 
1 1 1 15  2  22 o 50.757   18.938  23.974     22.529  11.363     35.136  32.777     29.357  50.007  21.701  57.248  21.568  -7.241329      30.59632 
1 1 1 15  2  23 o 48.840   20.476  15.710     29.411  29.396     38.406  -3.6949    45.734  57.191  23.639  49.860  22.920  7.331059       32.92643 
1 1 1 15  2  24 o 52.148   20.477  25.313     27.242  28.075     35.696  21.460     42.157  55.512  22.851  54.870  23.791  0.6420708      32.98796 
1 1 1 15  2  25 o 44.839   17.710  16.596     20.491  16.871     23.011  15.543     45.039  46.043  18.571  53.381  23.806  -7.337421      30.19346 
1 1 1 15  2  26 o 38.947   16.896  4.6252     21.285  -1.6378    25.261  19.958     39.524  39.072  17.595  52.509  22.900  -13.43707      28.87867 
1 1 1 15  2  27 o 51.394   17.920  28.010     19.754  44.641     28.146  11.865     27.732  61.430  21.392  45.091  19.424  16.33916       28.89473 
1 1 1 15  2  28 o 35.244   15.637  0.4882     19.179  2.0781     27.246  -1.0732    27.002  40.901  18.358  39.720  18.010  1.181099       25.71784 
1 1 1 15  2  29 o 51.421   18.189  29.148     20.399  14.689     28.140  45.162     29.614  45.526  19.589  60.162  21.838  -14.63578      29.33637 
1 1 1 15  2  30 o 42.550   17.299  15.518     20.140  19.918     26.836  9.8450     30.472  46.823  19.590  44.160  19.646  2.663155       27.74391 
1 1 1 15  2  31 o 47.727   18.953  24.222     23.584  38.526     27.932  -11.3015   44.018  55.408  20.999  43.405  20.728  12.00366       29.50646 
1 1 1 15  2  32 o 69.792   20.231  61.725     26.087  64.434     31.968  56.326     45.135  67.514  22.821  59.552  25.186  7.962093       33.98777 
1 1 1 15  2  33 o 36.819   16.614  2.4075     22.652  10.636     28.581  -11.4921   37.147  42.252  18.895  39.800  19.017  2.452152       26.80786 
1 1 1 15  2  34 o 29.644   14.043  -12.0718   19.395  -13.5349   23.192  -8.6691    35.370  31.939  15.195  39.182  18.676  -7.242994      24.07654 
1 1 1 15  2  35 o 45.025   18.535  23.119     23.485  25.593     28.897  18.306     40.306  46.600  19.945  45.847  21.232  0.7532959      29.13103 
1 1 1 15  2  36 o 46.822   19.475  27.998     26.303  23.373     51.132  29.662     30.673  47.149  22.468  47.506  20.446  -0.3577499     30.37815 
1 1 1 15  2  37 o 36.970   16.988  4.3213     25.086  5.7483     42.607  3.5642     31.035  42.070  20.172  38.824  18.195  3.245407       27.16568 
1 1 1 15  2  38 o 59.906   21.996  60.929     30.168  52.680     54.670  64.541     36.174  49.830  23.597  57.789  23.294  -7.959068      33.15723 
1 1 1 15  2  39 o 37.783   17.338  9.4438     26.010  9.8225     44.274  9.2442     32.141  41.306  19.994  39.192  18.415  2.114101       27.18219 
1 1 1 15  2  40 o 50.559   20.564  45.323     28.478  31.882     47.315  52.957     35.660  44.050  21.157  50.735  21.940  -6.685066      30.47920 
1 1 1 15  2  41 o 41.034   18.506  23.456     28.066  -1.3489    45.304  38.905     35.753  38.005  18.769  45.059  20.544  -7.054203      27.82713 
1 1 1 15  2  42 o 82.514   23.284  125.663    35.007  146.885    58.311  113.703    43.774  58.915  26.613  62.625  25.487  -3.709240      36.84855 
1 1 1 15  2  43 o 51.522   21.016  58.818     29.849  80.804     34.293  -9.9064    60.630  57.171  22.806  36.806  18.652  20.36518       29.46230 
1 1 1 15  3  0  o 198.022  12.023  353.996    41.374  346.590    50.432  369.241    72.359  194.179 14.990  195.416 21.566  -1.236313      26.26400 
1 1 1 15  3  1  o 204.387  10.564  374.457    37.572  339.456    52.251  411.929    54.064  191.542 15.763  211.861 14.706  -20.31842      21.55793 
1 1 1 15  3  2  o 86.826   13.300  69.776     19.522  78.776     26.375  58.872     29.032  90.768  17.273  77.054  21.003  13.71408       27.19332 
1 1 1 15  3  3  o 104.126  12.391  99.204     22.086  94.576     30.038  104.651    32.588  99.233  17.999  104.207 18.592  -4.974022      25.87695 
1 1 1 15  3  4  o 187.997  11.176  318.679    36.519  329.085    51.118  307.831    52.190  188.204 15.699  181.296 16.674  6.907349       22.90118 
1 1 1 15  3  5  o 44.384   15.875  16.203     15.581  35.735     20.911  -8.1757    23.361  60.912  18.236  37.669  16.946  23.24273       24.89393 
1 1 1 15  3  6  o 153.723  11.079  213.679    29.539  201.256    40.687  227.524    42.953  146.356 16.193  155.814 16.016  -9.458481      22.77533 
1 1 1 15  3  7  o 152.957  11.364  212.179    30.133  194.309    42.020  231.096    43.234  142.996 17.173  156.879 16.008  -13.88277      23.47661 
1 1 1 15  3  8  o 77.976   16.014  58.496     21.074  84.226     30.514  35.029     29.140  92.161  19.567  61.438  21.738  30.72229       29.24738 
1 1 1 15  3  9  o 62.005   17.520  37.596     19.807  36.340     29.022  38.690     27.100  62.015  21.715  63.113  21.011  -1.097382      30.21602 
1 1 1 15  3  10 o 90.577   14.083  77.248     21.550  80.149     31.692  74.752     29.390  88.830  20.799  86.187  19.928  2.643822       28.80465 
1 1 1 15  3  11 o 50.985   18.709  22.124     21.820  -0.2808    38.491  32.734     26.487  50.234  22.227  59.000  20.740  -8.765202      30.40057 
1 1 1 15  3  12 o 79.417   25.960  68.608     41.440  0.0000     0.0000  68.608     41.440  ?       ?       79.417  25.960  0.000000       25.96012 
1 1 1 15  3  13 o 71.321   26.304  52.623     43.211  0.0000     0.0000  52.623     43.211  ?       ?       71.321  26.304  0.000000       26.30406 
1 1 1 15  3  14 o 60.183   23.739  30.912     36.770  0.0000     0.0000  30.912     36.770  ?       ?       60.183  23.739  0.000000       23.73905 
1 1 1 15  3  15 o 97.247   28.749  112.774    52.219  0.0000     0.0000  112.774    52.219  ?       ?       97.247  28.749  0.000000       28.74886 
1 1 1 15  3  16 o 129.870  13.279  158.687    29.689  141.885    48.961  168.458    37.336  112.522 25.508  131.245 16.668  -18.72366      30.47141 
1 1 1 15  3  17 o 136.139  13.314  174.917    31.243  147.382    50.875  191.587    39.586  113.365 26.223  139.804 16.537  -26.43913      31.00224 
1 1 1 15  3  18 o 123.138  13.215  143.705    27.969  112.261    44.930  163.598    35.738  98.065  25.867  129.008 16.224  -30.94285      30.53404 
1 1 1 15  3  19 o 36.687   14.961  7.1756     15.122  2.4249     19.852  13.743     23.340  37.881  16.376  45.642  18.597  -7.760956      24.77907 
1 1 1 15  3  20 o 64.442   17.077  42.881     19.524  40.449     22.489  50.324     39.343  61.873  18.994  66.748  25.003  -4.875332      31.39961 
1 1 1 15  3  21 o 77.352   14.334  59.080     18.647  75.353     25.901  41.568     26.869  84.937  18.022  61.827  20.922  23.11018       27.61399 
1 1 1 15  3  22 o 36.467   14.460  8.9787     13.709  15.336     17.752  -0.4159    21.579  43.129  16.643  37.498  16.614  5.630707       23.51630 
1 1 1 15  3  23 o 35.292   14.895  4.8418     15.733  0.7369     22.898  8.5124     21.653  38.700  17.132  41.260  17.447  -2.559967      24.45259 
1 1 1 15  3  24 o 36.221   16.229  -1.9797    21.190  -0.7831    24.225  -5.8768    43.720  38.791  17.368  47.285  21.973  -8.493668      28.00812 
1 1 1 15  3  25 o 47.915   18.451  21.959     21.783  4.9636     25.536  67.365     41.739  41.458  18.234  70.530  25.876  -29.07196      31.65558 
1 1 1 15  3  26 o 45.303   18.244  17.678     22.170  27.531     25.144  -16.7410   46.995  51.374  19.812  45.391  21.605  5.982185       29.31368 
1 1 1 15  3  27 o 35.316   15.701  0.5089     19.429  -5.9743    21.508  29.264     45.295  34.392  15.776  54.731  24.169  -20.33828      28.86216 
1 1 1 15  3  28 f 41.919   16.813  15.056     18.746  22.419     23.109  0.8861     32.057  47.372  18.777  42.287  19.347  5.085049       26.96059 
1 1 1 15  3  29 o 85.906   18.028  83.601     26.179  82.173     31.063  87.101     48.637  80.578  21.626  71.759  27.587  8.819511       35.05291 
1 1 1 15  3  30 o 81.572   22.457  88.193     32.997  88.193     32.997  0.0000     0.0000  81.572  22.457  ?       ?       0.000000       22.45678 
1 1 1 15  3  31 o 55.686   19.848  39.417     24.335  37.521     29.592  43.378     42.766  53.708  21.261  55.196  23.948  -1.488132      32.02375 
1 1 1 15  3  32 o 50.371   19.611  31.515     24.820  32.024     30.904  30.590     41.661  50.472  21.061  50.510  22.684  -0.3803635E-01 30.95384 
1 1 1 15  3  33 o 40.052   17.374  12.087     22.500  -2.1847    27.312  42.227     39.691  37.191  17.310  53.027  23.039  -15.83642      28.81719 
1 1 1 15  3  34 o 34.601   15.519  3.2510     19.431  -12.2300   26.352  21.701     28.768  33.747  16.094  44.883  19.556  -11.13632      25.32743 
1 1 1 15  3  35 o 37.712   16.169  11.482     19.051  5.9071     25.910  18.043     28.109  38.130  17.425  42.821  18.968  -4.690990      25.75720 
1 1 1 15  3  36 o 69.720   19.115  65.514     23.965  73.232     34.337  58.184     33.462  64.140  23.479  57.465  22.653  6.675003       32.62562 
1 1 1 15  3  37 o 54.206   20.081  45.426     25.241  40.171     41.356  48.545     31.864  48.089  21.991  52.720  21.633  -4.630535      30.84805 
1 1 1 15  3  38 o 25.942   12.669  -20.3752   18.875  8.1693     32.332  -35.1334   23.248  38.823  18.312  26.192  13.024  12.63079       22.47134 
1 1 1 15  3  39 o 48.175   19.330  37.655     24.786  -7.2536    45.550  56.546     29.543  38.016  18.783  55.082  21.410  -17.06664      28.48133 
1 1 1 15  3  40 o 36.667   16.271  13.664     20.776  34.838     32.132  -1.5483    27.235  44.189  19.877  33.892  16.218  10.29737       25.65396 
1 1 1 15  3  41 o 37.799   16.852  17.670     22.548  17.825     38.105  17.587     27.970  38.979  18.789  38.207  17.692  0.7717285      25.80732 
1 1 1 15  4  0  o 70.190   17.744  48.088     21.758  53.245     26.719  37.936     37.487  73.158  20.235  65.413  24.425  7.744225       31.71849 
1 1 1 15  4  1  o 79.797   16.741  61.450     22.581  80.429     27.852  25.042     38.576  90.898  18.184  60.000  24.100  30.89797       30.19047 
1 1 1 15  4  2  o 105.298  14.391  103.624    25.766  114.237    31.553  82.384     44.638  109.245 17.103  87.729  26.729  21.51554       31.73226 
1 1 1 15  4  3  o 83.991   14.376  66.543     20.325  48.901     28.748  84.177     28.741  69.843  21.481  92.744  18.398  -22.90088      28.28284 
1 1 1 15  4  4  o 132.887  11.960  161.460    27.452  160.058    39.101  162.822    38.552  128.888 17.854  130.324 17.375  -1.435486      24.91277 
1 1 1 15  4  5  o 69.467   18.294  47.837     22.496  31.920     38.737  55.937     27.633  62.354  24.438  74.302  20.589  -11.94778      31.95468 
1 1 1 15  4  6  o 114.713  14.488  123.612    28.373  112.703    49.895  128.825    34.492  100.737 27.566  115.233 17.710  -14.49632      32.76427 
1 1 1 15  4  7  o 185.302  16.718  327.626    53.510  274.337    75.295  382.004    76.060  157.786 28.373  193.253 22.992  -35.46689      36.51902 
1 1 1 15  4  8  o 86.026   20.530  75.739     30.408  53.536     44.224  95.651     41.880  72.217  26.614  93.817  25.082  -21.59966      36.57078 
1 1 1 15  4  9  o 59.032   20.755  33.308     26.524  35.880     35.735  30.152     39.580  62.492  23.736  61.058  24.452  1.433990       34.07753 
1 1 1 15  4  10 o 42.573   16.050  14.002     16.263  13.137     23.588  14.786     22.452  46.387  18.770  46.617  18.499  -0.2308960     26.35378 
1 1 1 15  4  11 o 82.771   15.445  66.567     21.501  72.579     34.499  62.748     27.494  81.976  23.108  77.835  20.093  4.140732       30.62160 
1 1 1 15  4  12 o 69.718   16.176  48.204     19.310  34.711     30.497  57.234     24.949  60.027  22.104  74.613  19.076  -14.58572      29.19771 
1 1 1 15  4  13 o 152.860  17.001  229.169    44.608  0.0000     0.0000  229.169    44.608  ?       ?       152.860 17.001  0.000000       17.00111 
1 1 1 15  4  14 o 57.339   17.957  33.130     19.986  45.624     39.328  28.780     23.206  66.053  24.945  54.638  19.392  11.41457       31.59581 
1 1 1 15  4  15 o 131.318  13.711  164.229    30.975  175.784    56.754  159.327    36.965  122.119 27.302  126.457 17.187  -4.337753      32.26117 
1 1 1 15  4  16 o 40.651   15.153  13.558     14.416  26.832     20.067  -0.5980    20.723  52.345  18.072  37.239  16.401  15.10624       24.40499 
1 1 1 15  4  17 o 40.676   14.945  14.061     13.931  24.387     18.718  1.2400     20.857  50.155  17.446  38.005  16.603  12.14941       24.08391 
1 1 1 15  4  18 f 103.016  13.154  101.985    23.120  95.655     33.581  107.690    31.878  93.363  21.096  101.505 18.674  -8.141891      28.17427 
1 1 1 15  4  19 o 33.117   14.248  1.9271     14.883  -6.9187    25.163  6.6867     18.458  37.817  17.239  38.542  16.193  -0.7247009     23.65181 
1 1 1 15  4  20 o 99.188   13.069  95.352     22.083  106.197    32.883  86.441     29.805  98.952  19.724  89.024  19.696  9.928116       27.87412 
1 1 1 15  4  21 o 61.786   16.095  39.878     17.537  31.961     26.040  46.450     23.725  55.032  20.395  64.629  19.441  -9.597004      28.17627 
1 1 1 15  4  22 o 26.745   12.370  -8.1638    13.616  -22.4013   20.170  3.7573     18.457  28.799  13.827  36.582  15.802  -7.783064      20.99747 
1 1 1 15  4  23 o 87.503   15.122  78.393     22.269  82.082     32.658  75.187     30.444  82.471  22.192  79.612  21.428  2.858978       30.84841 
1 1 1 15  4  24 o 37.150   15.705  6.8914     17.537  7.7779     25.763  6.1260     23.939  42.258  18.457  40.653  17.773  1.604553       25.62312 
1 1 1 15  4  25 o 58.388   19.158  39.535     22.560  30.416     29.279  52.860     35.393  52.741  21.063  63.184  23.706  -10.44270      31.71112 
1 1 1 15  4  26 o 34.813   16.213  -9.3551    24.016  -9.3551    24.016  0.0000     0.0000  34.813  16.213  ?       ?       0.000000       16.21334 
1 1 1 15  4  27 o 50.614   20.447  28.475     27.941  28.475     27.941  0.0000     0.0000  50.614  20.447  ?       ?       0.000000       20.44715 
1 1 1 15  4  28 o 39.568   16.837  10.529     20.376  10.308     24.570  11.015     36.463  41.321  18.037  45.653  20.789  -4.331371      27.52263 
1 1 1 15  4  29 o 37.642   16.533  6.3430     20.930  -11.8855   25.524  43.755     36.566  34.301  16.207  55.708  23.049  -21.40718      28.17669 
1 1 1 15  4  30 o 69.276   20.749  63.844     27.067  73.273     33.783  46.939     45.235  69.809  23.461  55.114  24.254  14.69511       33.74429 
1 1 1 15  4  31 o 46.198   18.319  24.783     22.003  21.593     31.223  27.929     31.012  45.903  20.177  48.184  20.644  -2.280479      28.86626 
1 1 1 15  4  32 o 40.095   17.133  13.958     21.261  18.477     29.925  9.3516     30.213  44.001  19.527  41.180  18.818  2.820755       27.11893 
1 1 1 15  4  33 o 42.937   17.677  20.653     21.362  12.261     28.213  31.928     32.701  40.979  18.511  48.216  20.930  -7.237198      27.94151 
1 1 1 15  4  34 o 45.392   18.143  26.280     21.744  23.366     28.679  30.221     33.348  44.261  19.399  46.804  20.700  -2.543240      28.36917 
1 1 1 15  4  35 o 40.861   17.202  18.713     20.897  11.674     29.363  25.937     29.746  39.905  18.352  44.495  19.621  -4.590046      26.86583 
1 1 1 15  4  36 o 43.519   18.422  25.410     24.180  12.191     44.264  31.033     28.869  41.714  20.143  45.552  19.719  -3.838215      28.18869 
1 1 1 15  4  37 o 65.090   21.612  72.289     28.680  109.855    50.488  54.393     34.848  60.751  26.189  51.667  22.003  9.084156       34.20465 
1 1 1 15  4  38 o 26.886   13.157  -19.6420   20.667  41.155     33.702  -56.2847   26.164  46.243  20.611  24.713  12.493  21.53020       24.10113 
1 1 1 15  4  39 o 65.758   21.764  79.859     29.093  104.611    51.510  68.265     35.255  54.237  24.702  53.564  22.435  0.6730766      33.36931 
1 1 1 15  4  40 o 50.370   19.557  47.525     24.629  26.761     37.640  63.072     32.570  39.955  19.105  51.684  21.599  -11.72886      28.83584 
1 1 1 15  5  0  o 169.564  16.535  274.193    48.332  316.428    68.939  233.367    67.779  175.702 23.025  146.087 27.583  29.61418       35.93027 
1 1 1 15  5  1  o 99.059   19.797  98.686     33.045  73.888     47.081  122.763    46.391  81.666  27.695  106.561 25.309  -24.89426      37.51724 
1 1 1 15  5  2  o 68.604   24.524  47.631     37.179  47.631     37.179  0.0000     0.0000  68.604  24.524  ?       ?       0.000000       24.52397 
1 1 1 15  5  3  o 83.195   25.918  76.587     41.698  76.587     41.698  0.0000     0.0000  83.195  25.918  ?       ?       0.000000       25.91827 
1 1 1 15  5  4  f 80.399   19.014  65.554     26.273  37.059     38.999  89.233     35.552  63.590  24.632  91.912  22.365  -28.32158      33.27037 
1 1 1 15  5  5  o 173.878  12.601  280.089    37.997  227.707    63.937  308.690    47.245  143.667 26.463  180.322 15.145  -36.65553      30.49037 
1 1 1 15  5  6  o 72.503   15.419  51.433     18.920  27.594     29.546  68.003     24.632  56.209  21.527  82.421  17.648  -26.21115      27.83645 
1 1 1 15  5  7  o 147.821  12.540  203.396    32.062  168.177    53.888  222.695    39.891  122.670 25.968  152.585 15.174  -29.91497      30.07618 
1 1 1 15  5  8  o 55.449   16.451  30.479     17.076  7.3083     25.761  48.637     22.806  44.568  18.947  68.822  18.555  -24.25386      26.51973 
1 1 1 15  5  9  o 80.133   13.350  61.402     18.022  56.712     24.219  67.220     26.977  74.094  18.715  80.353  19.439  -6.259750      26.98389 
1 1 1 15  5  10 o 84.014   13.235  67.447     18.772  51.537     25.038  87.870     28.368  69.951  19.675  92.926  18.135  -22.97544      26.75758 
1 1 1 15  5  11 o 49.993   15.701  24.497     15.267  22.321     19.825  27.668     23.933  49.280  17.871  53.820  19.617  -4.539951      26.53666 
1 1 1 15  5  12 o 65.408   16.553  43.571     18.920  13.626     25.480  80.378     28.249  46.661  19.268  87.690  18.999  -41.02837      27.05926 
1 1 1 15  5  13 o 70.733   18.340  52.580     22.840  45.602     36.299  57.153     29.386  64.508  24.045  71.697  21.652  -7.188942      32.35718 
1 1 1 15  5  14 o 122.557  13.769  145.017    28.954  134.222    47.989  151.197    36.308  105.298 26.205  121.687 17.599  -16.38956      31.56666 
1 1 1 15  5  15 o 41.599   17.255  9.8543     20.568  54.234     35.761  -12.0817   25.142  67.956  24.077  36.220  16.772  31.73559       29.34351 
1 1 1 15  5  16 o 84.162   18.850  76.012     27.012  70.572     45.686  78.936     33.494  73.572  27.060  82.287  22.613  -8.715485      35.26483 
1 1 1 15  5  17 o 52.120   17.956  28.021     19.805  27.110     27.023  29.077     29.111  52.702  20.479  54.122  21.192  -1.420128      29.47011 
1 1 1 15  5  18 o 73.102   17.382  57.023     21.862  46.956     31.557  66.312     30.314  63.113  22.591  75.001  21.828  -11.88860      31.41349 
1 1 1 15  5  19 f 52.287   17.789  28.969     19.425  42.715     27.336  14.948     27.608  60.752  21.086  46.534  19.691  14.21794       28.85044 
1 1 1 15  5  20 o 44.986   17.340  18.653     19.253  9.2486     26.347  29.431     28.205  43.358  18.804  52.995  20.827  -9.636478      28.05988 
1 1 1 15  5  21 o 30.277   13.850  -5.9804    16.423  -2.1449    22.362  -10.4711   24.197  36.471  16.477  35.021  16.298  1.449722       23.17597 
1 1 1 15  5  22 o 65.552   19.962  51.183     24.901  57.875     31.115  39.262     41.530  67.071  22.516  57.210  24.176  9.860851       33.03668 
1 1 1 15  5  23 o 169.742  14.531  295.519    42.652  277.324    51.725  334.172    75.392  155.854 19.429  149.662 29.896  6.191788       35.65524 
1 1 1 15  5  24 o 127.800  15.398  172.407    33.670  194.537    41.391  129.119    57.889  130.898 18.636  82.862  30.463  48.03637       35.71097 
1 1 1 15  5  25 o 55.309   21.135  38.913     28.441  38.913     28.441  0.0000     0.0000  55.309  21.135  ?       ?       0.000000       21.13490 
1 1 1 15  5  26 o 39.222   17.570  5.2054     24.828  5.2054     24.828  0.0000     0.0000  39.222  17.570  ?       ?       0.000000       17.57048 
1 1 1 15  5  27 o 36.113   16.599  -1.7443    23.975  -1.7443    23.975  0.0000     0.0000  36.113  16.599  ?       ?       0.000000       16.59875 
1 1 1 15  5  28 o 28.896   13.292  -4.6948    15.414  -2.1007    22.713  -6.9096    20.987  34.994  16.111  32.382  15.106  2.612183       22.08522 
1 1 1 15  5  29 o 39.774   16.146  15.216     17.515  8.5335     26.051  20.728     23.661  39.771  17.893  44.018  18.403  -4.247204      25.66784 
1 1 1 15  5  30 o 54.833   17.534  37.890     18.970  53.143     27.385  23.816     26.304  60.025  21.089  45.201  19.178  14.82471       28.50566 
1 1 1 15  5  31 o 43.272   16.776  21.995     18.103  21.553     26.677  22.372     24.646  43.729  18.943  43.853  18.583  -0.1242790     26.53621 
1 1 1 15  5  32 o 42.009   16.697  20.690     18.318  8.4295     25.556  33.646     26.271  38.211  17.401  48.322  19.714  -10.11090      26.29523 
1 1 1 15  5  33 o 25.847   12.402  -13.0284   16.164  -4.4480    22.679  -21.8882   23.045  32.662  15.385  28.688  14.007  3.973904       20.80610 
1 1 1 15  5  34 o 49.758   18.444  36.241     21.297  43.449     30.857  29.684     29.431  49.717  20.915  44.721  19.625  4.996735       28.68035 
1 1 1 15  5  35 o 30.899   14.453  -2.1585    19.420  4.0068     27.529  -8.2660    27.400  35.934  16.933  33.030  15.924  2.904446       23.24459 
1 1 1 15  5  36 o 30.879   14.441  -0.9668    19.375  -0.6806    29.537  -1.1830    25.669  34.828  16.725  33.485  15.946  1.343029       23.10864 
1 1 1 15  5  37 o 49.605   19.078  42.613     23.267  40.041     36.683  44.344     30.095  43.907  20.306  46.902  20.219  -2.994915      28.65572 
1 1 1 15  6  0  o 55.633   16.674  30.736     17.475  27.014     25.927  33.833     23.656  54.450  20.317  58.202  19.632  -3.751785      28.25183 
1 1 1 15  6  1  o 83.232   17.474  69.835     24.586  55.620     31.882  90.688     38.616  71.525  22.716  90.066  24.087  -18.54118      33.10918 
1 1 1 15  6  2  o 128.484  15.887  160.912    34.882  135.957    46.077  194.413    53.387  110.337 24.550  133.477 23.778  -23.14037      34.17743 
1 1 1 15  6  3  f 103.742  14.318  103.593    25.244  92.853     30.370  127.603    45.408  94.929  18.986  106.072 24.937  -11.14302      31.34186 
1 1 1 15  6  4  o 134.001  13.100  169.871    30.259  155.606    37.038  198.496    52.468  124.606 17.507  134.999 23.089  -10.39363      28.97512 
1 1 1 15  6  5  o 107.112  12.037  107.821    22.122  80.917     29.915  140.287    32.863  87.308  20.047  119.124 16.221  -31.81635      25.78744 
1 1 1 15  6  6  o 78.105   14.992  60.298     19.703  46.230     27.585  74.950     28.152  65.329  21.171  84.113  19.541  -18.78411      28.81054 
1 1 1 15  6  7  o 62.949   17.155  40.935     19.370  50.437     27.418  31.466     27.370  67.845  20.997  56.278  20.899  11.56743       29.62499 
1 1 1 15  6  8  f 111.966  12.538  119.201    24.091  139.877    34.213  98.866     33.929  117.440 17.194  95.196  20.978  22.24364       27.12376 
1 1 1 15  6  9  o 47.120   16.836  20.984     17.519  12.453     24.512  29.892     25.048  45.140  18.790  54.575  20.042  -9.434952      27.47261 
1 1 1 15  6  10 o 53.608   16.667  29.515     17.252  46.331     25.524  15.369     23.410  64.785  20.293  45.858  18.648  18.92693       27.56003 
1 1 1 15  6  11 o 41.379   16.244  13.231     17.141  33.811     23.916  -8.5065    24.579  56.437  19.715  36.737  16.856  19.69954       25.93900 
1 1 1 15  6  12 o 45.592   16.458  19.740     16.787  16.984     23.659  22.535     23.822  46.424  18.794  49.439  19.223  -3.015442      26.88344 
1 1 1 15  6  13 o 95.613   16.118  93.857     25.951  117.433    41.327  78.508     33.345  98.121  24.259  81.062  22.672  17.05872       33.20419 
1 1 1 15  6  14 o 65.369   17.844  46.537     20.937  38.699     35.624  50.672     25.878  58.689  23.298  66.364  20.376  -7.675041      30.95089 
1 1 1 15  6  15 o 30.717   14.089  -7.0368    17.151  -10.3431   26.369  -4.6127    22.579  36.835  17.099  36.029  16.388  0.8064346      23.68439 
1 1 1 15  6  16 o 72.598   17.987  58.172     22.684  57.299     35.027  58.802     29.770  66.577  23.803  69.217  21.947  -2.640381      32.37717 
1 1 1 15  6  17 o 57.339   18.817  37.369     21.765  32.837     26.293  47.231     38.790  54.092  20.404  60.742  24.248  -6.650135      31.69071 
1 1 1 15  6  18 o 43.203   17.360  16.112     20.022  12.144     24.149  24.842     35.815  42.928  18.300  51.427  22.113  -8.498749      28.70284 
1 1 1 15  6  19 o 34.961   15.593  0.4451     19.326  -13.2837   25.692  18.338     29.331  34.832  16.397  47.033  20.111  -12.20110      25.94877 
1 1 1 15  6  20 o 48.923   18.861  26.028     22.783  15.968     28.426  44.101     38.100  45.457  19.623  57.597  23.647  -12.13954      30.72859 
1 1 1 15  6  21 o 63.518   20.445  51.116     25.759  43.216     32.788  63.854     41.634  57.027  22.442  64.089  25.267  -7.061749      33.79406 
1 1 1 15  6  22 o 34.945   15.791  -0.2315    20.553  1.2570     28.113  -1.9404    30.123  39.576  18.110  39.581  18.339  -0.5237579E-02 25.77427 
1 1 1 15  6  23 o 30.051   14.234  -13.0370   19.915  -17.7656   25.050  -4.9161    32.829  32.468  15.541  39.653  18.625  -7.184868      24.25772 
1 1 1 15  6  24 o 50.907   19.544  32.529     24.390  24.970     29.767  47.971     42.543  47.490  20.282  55.534  23.990  -8.044037      31.41455 
1 1 1 15  6  25 o 37.688   16.770  6.5184     22.214  3.0012     27.264  13.465     38.315  38.715  17.760  44.903  20.762  -6.187267      27.32185 
1 1 1 15  6  26 f 33.956   15.544  -0.6708    20.732  -3.3608    26.772  3.3588     32.767  36.314  16.981  40.429  18.865  -4.115032      25.38179 
1 1 1 15  6  27 o 27.432   13.215  -16.9480   18.784  -10.7014   22.211  -32.6407   35.204  31.526  14.961  34.042  16.761  -2.516619      22.46721 
1 1 1 15  6  28 o 46.267   17.364  26.860     18.991  13.824     28.744  36.958     25.299  41.254  18.655  50.825  19.796  -9.570862      27.20151 
1 1 1 15  6  29 o 51.641   17.774  35.608     19.403  5.6545     28.526  61.397     26.469  38.258  17.768  63.854  20.741  -25.59630      27.31125 
1 1 1 15  6  30 o 40.923   16.644  19.682     18.652  11.346     28.258  26.118     24.831  39.291  18.045  44.235  18.693  -4.944279      25.98186 
1 1 1 15  6  31 o 69.173   18.246  64.980     22.355  85.129     32.704  47.310     30.627  68.846  23.084  51.410  21.165  17.43548       31.31801 
1 1 1 15  6  32 o 28.736   13.376  -3.0382    16.315  -7.2599    24.474  0.3383     21.888  32.037  15.342  32.909  15.377  -0.8725319     21.72170 
1 1 1 15  6  33 o 52.435   18.000  41.207     19.894  44.895     29.113  37.975     27.250  48.849  20.418  46.589  19.630  2.259735       28.32318 
1 1 1 15  6  34 o 34.772   15.302  11.643     18.005  -8.6537    27.059  27.769     24.120  31.905  15.488  42.067  18.118  -10.16139      23.83530 
1 1 1 15  7  0  o 25.657   11.888  -8.6474    12.659  -15.8977   17.480  -0.6514    18.357  28.398  13.416  34.978  15.419  -6.579956      20.43893 
1 1 1 15  7  1  o 47.863   18.127  20.710     20.804  5.8669     25.306  51.659     36.542  42.607  18.454  66.544  24.242  -23.93693      30.46669 
1 1 1 15  7  2  o 44.538   17.404  16.210     19.602  11.185     23.464  27.816     35.661  43.790  18.319  55.542  22.849  -11.75241      29.28599 
1 1 1 15  7  3  o 72.419   18.389  56.320     23.296  59.903     29.419  50.295     38.146  72.221  21.631  65.271  24.586  6.949173       32.74768 
1 1 1 15  7  4  o 50.825   18.595  25.661     21.534  33.795     26.557  10.049     36.793  56.405  20.649  49.217  21.756  7.187794       29.99501 
1 1 1 15  7  5  o 129.827  14.443  166.674    32.186  174.535    40.300  152.829    53.484  128.344 18.519  107.201 28.196  21.14299       33.73372 
1 1 1 15  7  6  o 106.697  15.039  114.419    27.240  113.045    45.818  115.171    33.878  92.469  26.814  102.580 19.630  -10.11092      33.23137 
1 1 1 15  7  7  o 53.083   17.179  29.771     18.168  23.192     26.337  35.745     25.094  50.052  19.980  56.902  20.168  -6.849514      28.38974 
1 1 1 15  7  8  o 50.615   16.829  26.771     17.388  46.975     25.656  9.6046     23.648  63.771  20.391  42.395  18.091  21.37640       27.25963 
1 1 1 15  7  9  o 48.381   18.000  23.460     20.322  27.908     25.764  16.136     33.062  51.936  20.047  48.721  21.097  3.214321       29.10302 
1 1 1 15  7  10 o 50.616   19.810  26.012     25.427  22.278     39.395  28.678     33.290  52.252  22.823  53.271  22.013  -1.019421      31.70854 
1 1 1 15  7  11 o 52.373   18.703  30.038     21.620  45.996     28.044  6.6595     33.944  61.568  21.358  45.404  20.426  16.16381       29.55320 
1 1 1 15  7  12 o 59.833   18.913  41.332     22.121  56.467     28.212  17.175     35.641  67.585  21.358  48.954  21.537  18.63143       30.33157 
1 1 1 15  7  13 o 52.704   20.065  31.403     25.576  49.760     44.409  22.292     31.286  60.404  25.230  49.296  20.916  11.10722       32.77216 
1 1 1 15  7  14 o 52.641   19.505  31.858     23.815  46.798     36.600  20.887     31.363  59.270  23.587  48.430  20.755  10.84015       31.41853 
1 1 1 15  7  15 o 59.504   19.549  42.985     23.489  57.551     32.662  27.383     33.804  64.820  23.006  50.948  21.683  13.87224       31.61341 
1 1 1 15  7  16 o 46.887   18.442  23.198     22.133  41.875     32.252  6.5744     30.428  56.482  22.248  42.545  19.221  13.93678       29.40072 
1 1 1 15  7  17 o 52.033   18.113  31.826     20.178  48.800     25.812  5.1519     32.358  61.512  20.507  42.529  19.450  18.98365       28.26366 
1 1 1 15  7  18 o 61.654   16.660  43.653     18.361  40.142     25.839  47.235     26.096  55.696  20.371  59.895  20.613  -4.199192      28.98040 
1 1 1 15  7  19 o 68.470   17.007  54.443     20.242  66.040     29.541  44.179     27.791  68.963  21.863  56.941  21.076  12.02150       30.36728 
1 1 1 15  7  20 o 94.472   14.587  96.206     23.287  120.303    33.909  74.698     32.036  97.069  20.642  71.463  22.779  25.60605       30.74032 
1 1 1 15  7  21 o 48.979   17.247  28.903     18.323  38.433     26.959  20.723     24.979  52.944  20.487  44.382  18.752  8.562405       27.77335 
1 1 1 15  7  22 o 65.152   17.236  51.573     19.910  53.410     29.977  50.123     26.633  59.151  21.890  59.051  20.794  0.9925079E-01  30.19218 
1 1 1 15  7  23 o 33.136   14.803  2.9770     17.492  27.820     27.999  -12.9260   22.402  46.745  19.807  31.026  14.809  15.71890       24.73105 
1 1 1 15  7  24 f 33.771   15.816  -4.0218    23.382  -17.5455   26.385  45.456     50.467  32.057  15.497  50.407  23.485  -18.35063      28.13713 
1 1 1 15  7  25 f 54.114   20.927  46.631     28.115  56.775     32.417  15.847     56.474  56.975  22.348  44.831  21.898  12.14410       31.28843 
1 1 1 15  7  26 o 31.895   15.124  -7.1478    22.604  -10.3293   26.310  1.8216     44.175  32.988  15.826  40.610  19.730  -7.621853      25.29351 
1 1 1 15  7  27 o 52.409   18.831  40.723     21.949  56.307     32.348  27.428     29.879  54.738  22.040  44.060  19.535  10.67750       29.45105 
1 1 1 15  7  28 f 35.051   15.615  8.9900     19.318  32.504     29.537  -8.5881    25.538  45.109  19.731  32.309  15.525  12.79970       25.10637 
1 1 1 15  7  29 o 39.793   17.000  20.069     20.923  4.9384     31.373  32.189     28.080  36.776  17.545  44.371  19.328  -7.595818      26.10339 
1 1 1 15  7  30 o 34.572   15.545  9.6687     19.633  12.298     29.805  7.6537     26.094  37.555  17.674  35.632  16.694  1.923607       24.31163 
1 1 1 15  7  31 o 24.409   11.989  -19.6488   17.660  14.572     26.216  -48.0812   23.896  37.003  17.132  23.951  12.087  13.05199       20.96675 
1 1 1 15  8  0  o 25.970   12.109  -9.3721    13.461  -19.8015   17.412  6.1245     21.224  26.741  12.841  39.239  16.947  -12.49809      21.26278 
1 1 1 15  8  1  f 50.721   18.945  27.057     22.555  27.057     22.555  0.0000     0.0000  50.721  18.945  ?       ?       0.000000       18.94475 
1 1 1 15  8  2  o 106.496  20.124  129.338    36.050  129.338    36.050  0.0000     0.0000  106.496 20.124  ?       ?       0.000000       20.12445 
1 1 1 15  8  3  o 51.044   20.137  27.290     26.460  27.290     26.460  0.0000     0.0000  51.044  20.137  ?       ?       0.000000       20.13673 
1 1 1 15  8  4  o 71.100   22.749  65.315     31.928  65.315     31.928  0.0000     0.0000  71.100  22.749  ?       ?       0.000000       22.74858 
1 1 1 15  8  5  o 44.309   17.464  18.280     19.887  38.539     27.210  -4.9486    29.136  56.666  20.877  39.316  18.153  17.35063       27.66566 
1 1 1 15  8  6  o 53.064   20.586  32.375     27.273  32.375     27.273  0.0000     0.0000  53.064  20.586  ?       ?       0.000000       20.58585 
1 1 1 15  8  7  f 98.553   22.294  121.641    37.467  121.641    37.467  0.0000     0.0000  98.553  22.294  ?       ?       0.000000       22.29412 
1 1 1 15  8  8  o 125.705  15.496  167.281    33.293  150.906    42.214  194.227    54.150  108.721 22.958  115.981 27.209  -7.259705      35.60015 
1 1 1 15  8  9  o 68.698   16.497  52.547     19.539  51.506     28.986  53.413     26.452  62.391  21.710  64.743  20.705  -2.351871      30.00039 
1 1 1 15  8  10 o 66.223   17.010  49.985     19.773  69.554     30.266  35.415     26.116  72.185  22.013  53.564  20.304  18.62080       29.94712 
1 1 1 15  8  11 o 33.635   15.147  -0.3318    18.723  38.420     39.706  -11.4123   21.232  53.991  23.250  31.658  14.904  22.33375       27.61665 
1 1 1 15  8  12 o 95.448   14.963  97.787     24.118  81.607     34.939  112.514    33.334  74.542  23.792  94.676  20.738  -20.13393      31.56140 
1 1 1 15  8  13 o 42.165   17.390  16.709     20.720  74.890     37.792  -8.2972    24.776  68.208  24.683  34.587  16.225  33.62057       29.53809 
1 1 1 15  8  14 o 47.894   19.230  27.225     24.549  0.0000     0.0000  27.225     24.549  ?       ?       47.894  19.230  0.000000       19.22980 
1 1 1 15  8  15 o 58.592   19.424  45.200     23.171  22.887     41.794  55.101     27.841  47.696  21.920  62.201  21.296  -14.50546      30.56140 
1 1 1 15  8  16 o 57.380   18.202  41.870     20.474  61.304     30.411  25.760     27.689  63.564  22.230  46.604  19.720  16.96014       29.71637 
1 1 1 15  8  17 o 19.639   9.7934  -29.5274   13.539  -36.6560   21.644  -24.9452   17.353  25.585  12.696  24.348  11.944  1.236979       17.43115 
1 1 1 15  8  18 o 37.620   15.757  12.472     17.392  -1.8466    24.822  26.280     24.376  35.321  16.461  45.838  18.878  -10.51717      25.04675 
1 1 1 15  8  19 o 31.192   14.246  -0.7627    17.283  4.7568     22.434  -8.8201    27.105  36.045  16.372  34.306  16.351  1.738941       23.13860 
1 1 1 15  8  20 o 44.784   17.420  25.483     19.571  33.159     26.783  16.688     28.668  47.871  19.760  41.563  18.728  6.307800       27.22468 
1 1 1 15  8  21 o 29.247   13.556  -3.4081    16.478  -6.9024    20.371  3.2057     28.026  30.681  14.491  37.005  17.326  -6.324419      22.58733 
1 1 1 15  8  22 o 81.632   17.507  85.430     24.205  80.052     32.042  92.578     36.939  67.196  22.847  68.311  24.442  -1.115318      33.45746 
1 1 1 15  8  23 o 46.337   18.999  32.929     24.555  34.516     27.332  26.287     55.920  46.435  19.617  43.644  21.416  2.790981       29.04272 
1 1 1 15  8  24 o 85.593   20.281  108.579    29.846  103.875    34.722  121.889    58.407  74.273  23.719  57.553  26.247  16.72075       35.37671 
1 1 1 15  8  25 o 36.243   16.242  12.373     21.234  13.677     23.110  5.3042     53.807  37.104  16.758  39.512  19.674  -2.408741      25.84373 
1 1 1 15  9  0  o 65.121   16.581  47.861     18.904  30.274     26.135  67.159     27.376  50.771  20.018  72.792  20.608  -22.02078      28.72967 
1 1 1 15  9  1  o 81.930   17.990  77.776     25.032  76.481     30.183  80.631     44.799  76.222  21.659  68.697  26.458  7.525520       34.19285 
1 1 1 15  9  2  o 37.135   15.733  8.8877     17.660  4.2049     19.898  26.260     38.325  36.199  16.001  49.845  22.111  -13.64651      27.29289 
1 1 1 15  9  3  o 30.915   14.132  -3.6706    17.060  -20.5337   20.267  37.330     31.601  28.332  13.668  53.239  21.660  -24.90675      25.61164 
1 1 1 15  9  4  o 41.409   16.154  17.130     16.865  17.534     25.087  16.796     22.780  43.779  18.657  42.825  17.991  0.9541359      25.91784 
1 1 1 15  9  5  o 35.556   15.313  6.9421     17.230  6.1331     26.064  7.5701     22.963  39.554  17.837  38.739  17.153  0.8149948      24.74600 
1 1 1 15  9  6  o 25.455   12.160  -13.8350   15.172  -17.0647   22.681  -11.2194   20.411  30.727  14.729  30.673  14.493  0.5378914E-01  20.66369 
1 1 1 15  9  7  o 42.763   16.800  19.597     18.346  26.189     29.446  15.415     23.454  47.307  20.188  41.771  17.926  5.536636       26.99778 
1 1 1 15  9  8  o 50.167   17.561  31.032     18.979  44.872     29.400  21.143     24.851  55.322  21.398  44.353  18.720  10.96951       28.43094 
1 1 1 15  9  9  o 67.837   17.612  56.520     21.045  70.742     32.089  45.785     27.878  67.213  22.864  55.878  21.024  11.33582       31.06067 
1 1 1 15  9  10 o 32.396   14.527  1.8774     17.015  0.8241     27.328  2.5442     21.743  37.359  17.364  35.365  16.084  1.993919       23.66905 
1 1 1 15  9  11 o 38.928   16.269  14.357     18.481  54.585     28.491  -14.8649   24.283  59.419  21.443  31.582  15.166  27.83669       26.26368 
1 1 1 15  9  12 o 38.384   17.087  10.468     23.088  0.0000     0.0000  10.468     23.088  ?       ?       38.384  17.087  0.000000       17.08705 
1 1 1 15  9  13 o 51.832   20.263  40.961     26.580  0.0000     0.0000  40.961     26.580  ?       ?       51.832  20.263  0.000000       20.26274 
1 1 1 15  9  14 o 48.467   18.465  32.826     21.668  80.956     40.362  13.339     25.683  61.758  24.706  39.531  17.777  22.22655       30.43731 
1 1 1 15  9  15 o 26.534   12.537  -8.1977    15.269  -7.3343    21.730  -9.0397    21.458  31.234  14.816  30.615  14.580  0.6189690      20.78634 
1 1 1 15  9  16 o 61.977   18.992  55.467     22.494  46.579     36.370  60.972     28.625  49.385  21.740  59.453  21.487  -10.06839      30.56691 
1 1 1 15  9  17 o 40.897   16.860  21.164     19.469  15.758     30.893  24.725     25.075  39.953  18.533  42.489  18.386  -2.536129      26.10596 
1 1 1 15  9  18 o 32.136   14.703  3.1120     18.520  5.6798     27.947  1.1016     24.729  36.284  17.087  34.088  16.059  2.196259       23.44926 
1 1 1 15  10 0  o 66.883   21.771  68.342     29.158  42.846     36.354  114.322    48.819  51.300  22.168  71.338  27.579  -20.03790      35.38437 
1 1 1 15  10 1  o 76.467   18.963  76.571     25.194  58.900     30.168  117.304    45.803  60.181  22.011  74.758  27.155  -14.57698      34.95573 
1 1 1 15  10 2  o 49.302   18.529  33.175     21.641  37.048     25.826  24.045     39.653  50.282  19.876  45.190  20.975  5.091053       28.89595 
1 1 1 15  10 3  o 41.718   17.089  20.168     19.841  17.350     23.511  27.141     36.982  40.883  17.747  45.461  20.792  -4.578247      27.33606 
1 1 1 15  10 4  o 40.819   17.080  18.758     20.406  20.658     24.493  14.447     36.895  42.158  18.207  42.013  19.737  0.1448212      26.85238 
1 1 1 16  0  0  o 20.854   13.705  -1.8553    12.603  -1.8553    12.603  -1.8553    12.603  20.854  13.705  20.854  13.705  0.000000       0.000000 
1 1 1 16  0  1  o 59.414   24.491  45.112     25.174  45.112     25.174  45.112     25.174  59.414  24.491  59.414  24.491  0.000000       0.000000 
1 1 1 16  0  2  o 24.953   15.734  2.8920     14.529  2.8920     14.529  2.8920     14.529  24.953  15.734  24.953  15.734  0.000000       0.000000 
1 1 1 16  0  3  o 100.770  24.569  107.299    37.453  107.299    37.453  107.299    37.453  100.770 24.569  100.770 24.569  0.000000       0.000000 
1 1 1 16  0  4  o 58.403   20.141  39.830     18.495  39.830     18.495  39.830     18.495  58.403  20.141  58.403  20.141  0.000000       0.000000 
1 1 1 16  0  5  o 126.721  15.399  149.699    32.732  149.699    32.732  149.699    32.732  126.721 15.399  126.721 15.399  0.000000       0.000000 
1 1 1 16  0  6  o 97.140   15.751  90.567     24.609  90.567     24.609  90.567     24.609  97.140  15.751  97.140  15.751  0.000000       0.000000 
1 1 1 16  0  7  o 50.846   20.387  32.298     17.585  32.298     17.585  32.298     17.585  50.846  20.387  50.846  20.387  0.000000       0.000000 
1 1 1 16  0  8  o 22.521   14.218  2.2131     11.905  2.2131     11.905  2.2131     11.905  22.521  14.218  22.521  14.218  0.000000       0.000000 
1 1 1 16  0  9  o 30.194   16.686  11.481     12.845  11.481     12.845  11.481     12.845  30.194  16.686  30.194  16.686  0.000000       0.000000 
1 1 1 16  0  10 o 33.295   17.538  14.619     13.556  14.619     13.556  14.619     13.556  33.295  17.538  33.295  17.538  0.000000       0.000000 
1 1 1 16  0  11 o 77.565   21.093  65.099     24.695  65.099     24.695  65.099     24.695  77.565  21.093  77.565  21.093  0.000000       0.000000 
1 1 1 16  0  12 o 39.236   20.341  20.781     18.018  20.781     18.018  20.781     18.018  39.236  20.341  39.236  20.341  0.000000       0.000000 
1 1 1 16  0  13 o 22.981   14.710  1.2325     13.273  1.2325     13.273  1.2325     13.273  22.981  14.710  22.981  14.710  0.000000       0.000000 
1 1 1 16  0  14 o 42.681   23.120  24.727     24.143  24.727     24.143  24.727     24.143  42.681  23.120  42.681  23.120  0.000000       0.000000 
1 1 1 16  0  15 o 45.831   28.207  21.819     43.892  21.819     43.892  21.819     43.892  45.831  28.207  45.831  28.207  0.000000       0.000000 
1 1 1 16  0  16 x ?        ?       ?          ?       ?          ?       ?          ?       ?       ?       ?       ?       ?              ?        
1 1 1 16  0  17 o 48.590   27.823  32.275     37.344  32.275     37.344  32.275     37.344  48.590  27.823  48.590  27.823  0.000000       0.000000 
1 1 1 16  0  18 o 37.461   23.712  9.3438     33.358  9.3438     33.358  9.3438     33.358  37.461  23.712  37.461  23.712  0.000000       0.000000 
1 1 1 16  0  19 o 64.626   32.759  63.605     46.101  63.605     46.101  63.605     46.101  64.626  32.759  64.626  32.759  0.000000       0.000000 
1 1 1 16  0  20 o 65.744   28.001  58.891     32.700  58.891     32.700  58.891     32.700  65.744  28.001  65.744  28.001  0.000000       0.000000 
1 1 1 16  0  21 o 31.406   20.244  3.0719     25.693  3.0719     25.693  3.0719     25.693  31.406  20.244  31.406  20.244  0.000000       0.000000 
1 1 1 16  0  22 o 27.274   18.302  -6.6598    24.515  -6.6598    24.515  -6.6598    24.515  27.274  18.302  27.274  18.302  0.000000       0.000000 
1 1 1 16  0  23 o 37.764   23.315  14.143     30.198  14.143     30.198  14.143     30.198  37.764  23.315  37.764  23.315  0.000000       0.000000 
1 1 1 16  0  24 f 35.492   23.626  -3.2732    39.448  -3.2732    39.448  -3.2732    39.448  35.492  23.626  35.492  23.626  0.000000       0.000000 
1 1 1 16  0  25 o 34.038   22.924  -8.1227    39.141  -8.1227    39.141  -8.1227    39.141  34.038  22.924  34.038  22.924  0.000000       0.000000 
1 1 1 16  0  26 o 112.005  23.349  133.214    40.255  133.214    40.255  133.214    40.255  112.005 23.349  112.005 23.349  0.000000       0.000000 
1 1 1 16  0  27 f 89.218   29.947  101.199    41.654  101.199    41.654  101.199    41.654  89.218  29.947  89.218  29.947  0.000000       0.000000 
1 1 1 16  0  28 o 27.097   18.809  -20.6634   31.138  -20.6634   31.138  -20.6634   31.138  27.097  18.809  27.097  18.809  0.000000       0.000000 
1 1 1 16  0  29 f 41.525   26.496  16.267     42.644  16.267     42.644  16.267     42.644  41.525  26.496  41.525  26.496  0.000000       0.000000 
1 1 1 16  0  30 o 60.959   33.196  64.802     50.018  64.802     50.018  64.802     50.018  60.959  33.196  60.959  33.196  0.000000       0.000000 
1 1 1 16  0  31 o 144.508  32.295  248.487    71.169  248.487    71.169  248.487    71.169  144.508 32.295  144.508 32.295  0.000000       0.000000 
1 1 1 16  0  32 o 86.948   36.894  121.107    56.803  121.107    56.803  121.107    56.803  86.948  36.894  86.948  36.894  0.000000       0.000000 
1 1 1 16  0  33 o 49.385   29.642  40.215     45.937  40.215     45.937  40.215     45.937  49.385  29.642  49.385  29.642  0.000000       0.000000 
1 1 1 16  0  34 o 52.268   29.864  47.848     42.899  47.848     42.899  47.848     42.899  52.268  29.864  52.268  29.864  0.000000       0.000000 
1 1 1 16  0  35 o 37.643   24.493  11.480     38.817  11.480     38.817  11.480     38.817  37.643  24.493  37.643  24.493  0.000000       0.000000 
1 1 1 16  0  36 o 48.981   29.109  42.497     43.459  42.497     43.459  42.497     43.459  48.981  29.109  48.981  29.109  0.000000       0.000000 
1 1 1 16  0  37 f 18.912   13.757  -49.6353   25.890  -49.6353   25.890  -49.6353   25.890  18.912  13.757  18.912  13.757  0.000000       0.000000 
1 1 1 16  1  0  o 36.604   12.830  11.234     10.132  22.185     12.774  -7.3408    16.637  48.279  14.204  31.198  14.143  17.08092       20.04397 
1 1 1 16  1  1  o 42.688   12.954  17.025     10.500  22.017     15.148  12.410     14.567  48.460  15.686  40.435  15.201  8.024826       21.84311 
1 1 1 16  1  2  o 47.001   13.620  21.044     11.824  27.172     19.218  17.311     15.000  53.368  17.690  44.440  15.609  8.928097       23.59150 
1 1 1 16  1  3  o 37.316   13.176  11.698     10.700  9.1227     18.019  13.100     13.299  40.556  16.407  40.108  14.623  0.4470978      21.97786 
1 1 1 16  1  4  o 41.262   13.392  15.611     11.035  12.766     17.666  17.432     14.131  42.491  16.545  44.075  15.168  -1.584278      22.44557 
1 1 1 16  1  5  o 54.109   14.070  28.466     13.418  39.218     22.800  22.768     16.597  62.118  19.135  49.164  16.444  12.95348       25.22989 
1 1 1 16  1  6  o 66.610   14.014  43.007     15.783  48.319     24.484  39.229     20.646  68.247  19.547  62.189  17.990  6.057411       26.56506 
1 1 1 16  1  7  o 76.944   11.461  55.423     14.928  51.551     20.261  60.021     22.081  71.759  16.513  77.395  16.820  -5.636444      23.57088 
1 1 1 16  1  8  o 99.604   10.877  91.839     18.609  80.218     24.456  107.820    28.679  90.063  16.145  104.644 16.221  -14.58070      22.88630 
1 1 1 16  1  9  o 64.893   13.138  40.701     14.375  39.839     17.853  42.291     24.242  62.880  16.170  63.499  19.759  -0.6189041     25.53171 
1 1 1 16  1  10 o 44.580   14.584  18.854     13.078  11.049     16.614  31.567     21.205  40.238  15.930  55.864  18.585  -15.62531      24.47817 
1 1 1 16  1  11 o 36.020   15.331  3.6026     16.903  17.297     32.516  -1.4679    19.786  51.290  21.518  36.032  15.940  15.25764       26.77839 
1 1 1 16  1  12 o 46.854   18.106  18.448     21.034  22.290     27.036  12.557     33.478  51.203  20.305  49.636  21.362  1.566505       29.47249 
1 1 1 16  1  13 o 165.814  13.219  263.111    37.953  212.950    66.106  287.775    46.354  127.460 30.171  170.388 15.759  -42.92795      34.03918 
1 1 1 16  1  14 o 51.958   18.795  26.886     21.909  37.936     37.859  21.322     26.864  60.119  23.969  50.169  20.126  9.950588       31.29803 
1 1 1 16  1  15 o 103.074  16.610  108.841    28.878  130.619    46.817  95.465     36.690  102.127 26.143  89.952  23.206  12.17513       34.95719 
1 1 1 16  1  16 o 47.113   18.083  20.294     20.878  21.919     34.451  19.350     26.246  52.180  22.033  48.447  19.728  3.732525       29.57446 
1 1 1 16  1  17 o 112.606  16.083  130.126    30.725  158.744    36.171  55.969     58.226  123.118 17.303  65.544  28.189  57.57451       33.07617 
1 1 1 16  1  18 o 43.785   17.757  15.110     21.161  8.1520     24.069  38.803     44.414  41.895  18.071  58.980  24.967  -17.08510      30.82051 
1 1 1 16  1  19 o 68.104   19.345  53.198     24.083  53.124     28.585  53.379     44.709  66.098  21.558  63.351  25.767  2.747044       33.59626 
1 1 1 16  1  20 o 83.059   20.294  80.786     29.180  75.013     34.949  94.074     53.022  75.480  23.763  75.766  28.880  -0.2865677     37.39974 
1 1 1 16  1  21 o 87.659   21.298  93.222     32.277  94.332     39.816  91.093     55.127  82.109  25.285  72.614  28.932  9.494614       38.42395 
1 1 1 16  1  22 o 41.498   17.615  11.790     22.207  -4.4001    33.165  24.948     29.899  41.120  19.118  49.635  20.714  -8.515163      28.18820 
1 1 1 16  1  23 o 37.085   16.296  4.6780     20.354  7.3140     32.139  2.9125     26.302  43.527  19.701  39.640  17.893  3.886406       26.61347 
1 1 1 16  1  24 o 54.002   20.152  36.316     25.509  32.232     31.370  44.287     43.827  51.750  21.375  56.097  24.291  -4.346905      32.35631 
1 1 1 16  1  25 o 83.876   21.023  90.392     30.729  106.659    38.271  60.876     51.553  85.593  24.412  59.200  25.976  26.39345       35.64709 
1 1 1 16  1  26 o 80.640   18.909  79.436     26.163  65.614     39.006  90.740     35.275  62.878  24.556  78.293  23.740  -15.41510      34.15529 
1 1 1 16  1  27 o 46.684   18.180  25.767     21.335  16.553     30.980  34.078     29.423  44.098  19.700  50.621  20.782  -6.522308      28.63490 
1 1 1 16  1  28 o 44.866   19.115  22.404     26.322  40.647     32.737  -10.9586   44.270  52.306  21.739  40.897  19.843  11.40837       29.43308 
1 1 1 16  1  29 o 58.465   20.806  50.624     26.731  55.039     33.858  43.318     43.555  57.213  22.712  51.126  23.056  6.087559       32.36399 
1 1 1 16  1  30 o 107.917  19.069  149.459    34.617  169.642    43.788  115.821    56.530  103.890 24.531  65.162  27.893  38.72882       37.14594 
1 1 1 16  1  31 o 49.340   21.192  39.810     32.829  35.293     52.397  42.729     42.122  47.074  22.518  49.030  22.333  -1.956352      31.71472 
1 1 1 16  1  32 o 43.208   20.375  21.681     39.977  0.0000     0.0000  21.681     39.977  ?       ?       43.208  20.375  0.000000       20.37474 
1 1 1 16  1  33 o 53.932   22.875  62.990     37.402  0.0000     0.0000  62.990     37.402  ?       ?       53.932  22.875  0.000000       22.87499 
1 1 1 16  1  34 o 38.471   18.305  10.422     33.676  0.0000     0.0000  10.422     33.676  ?       ?       38.471  18.305  0.000000       18.30520 
1 1 1 16  1  35 o 51.248   20.599  50.738     28.205  31.508     43.366  64.835     37.131  42.193  20.263  51.729  22.379  -9.536552      30.18902 
1 1 1 16  1  36 o 37.841   16.969  18.260     23.216  12.119     31.452  25.611     34.413  36.968  17.618  40.155  18.926  -3.186592      25.85646 
1 1 1 16  1  37 o 51.967   19.641  51.489     24.394  21.966     33.074  86.706     36.123  38.356  18.218  56.944  23.161  -18.58791      29.46750 
1 1 1 16  2  0  o 129.465  10.261  152.579    23.006  145.975    33.421  158.526    31.718  123.206 15.907  129.595 14.252  -6.389122      21.35799 
1 1 1 16  2  1  o 39.850   14.480  13.006     13.025  26.818     17.405  -4.5759    19.637  52.696  16.789  35.151  15.695  17.54519       22.98272 
1 1 1 16  2  2  o 166.090  10.354  251.236    29.878  206.672    40.758  303.005    43.929  146.258 16.234  179.341 14.143  -33.08286      21.53046 
1 1 1 16  2  3  o 107.382  10.845  106.089    20.055  90.474     26.099  128.598    31.337  96.226  16.103  115.091 16.029  -18.86504      22.72044 
1 1 1 16  2  4  o 96.480   14.417  89.303     23.542  92.703     35.810  86.714     31.241  92.831  22.359  91.350  20.129  1.480148       30.08522 
1 1 1 16  2  5  o 125.141  14.307  149.462    30.700  111.120    53.919  167.855    37.345  94.567  29.475  130.727 16.746  -36.15968      33.89933 
1 1 1 16  2  6  o 52.332   18.472  26.040     21.030  30.376     41.087  24.501     24.480  60.026  24.590  52.345  19.700  7.681419       31.50830 
1 1 1 16  2  7  o 87.637   16.945  77.122     24.991  59.754     44.090  85.344     30.334  72.173  26.578  90.239  19.796  -18.06639      33.13988 
1 1 1 16  2  8  o 107.474  19.134  119.347    34.589  0.0000     0.0000  119.347    34.589  ?       ?       107.474 19.134  0.000000       19.13353 
1 1 1 16  2  9  o 124.143  14.341  148.860    30.513  140.399    52.653  153.138    37.442  106.752 27.927  122.722 18.009  -15.97064      33.23031 
1 1 1 16  2  10 o 100.732  15.647  100.621    26.628  58.436     44.064  124.889    33.421  70.277  26.434  110.447 17.946  -40.16906      31.95060 
1 1 1 16  2  11 o 68.212   17.847  48.863     21.501  47.078     39.298  49.626     25.687  64.864  24.830  67.405  20.218  -2.540474      32.02037 
1 1 1 16  2  12 o 101.057  18.682  107.389    31.750  147.673    45.661  69.677     44.179  113.076 23.876  74.174  26.710  38.90209       35.82560 
1 1 1 16  2  13 o 81.058   17.166  68.396     23.539  38.568     40.453  83.665     28.943  60.523  24.549  88.013  19.360  -27.48981      31.26451 
1 1 1 16  2  14 o 91.321   13.661  81.873     21.114  74.697     30.022  88.895     29.700  81.142  21.020  90.432  19.391  -9.290192      28.59860 
1 1 1 16  2  15 o 114.159  12.676  126.000    24.840  128.657    35.302  123.395    34.960  108.993 19.254  106.396 19.539  2.596931       27.43103 
1 1 1 16  2  16 o 137.880  11.936  182.124    28.451  157.321    41.303  204.521    39.248  118.360 20.741  141.117 16.224  -22.75742      26.33280 
1 1 1 16  2  17 o 66.994   16.946  48.324     19.837  44.817     30.479  50.901     26.129  61.231  22.166  65.973  20.511  -4.742332      30.19947 
1 1 1 16  2  18 o 66.635   17.428  48.746     20.508  66.712     30.536  33.984     27.680  73.616  22.036  55.035  20.893  18.58076       30.36615 
1 1 1 16  2  19 o 64.482   22.004  52.147     29.723  52.147     29.723  0.0000     0.0000  64.482  22.004  ?       ?       0.000000       22.00431 
1 1 1 16  2  20 o 60.421   22.147  46.366     30.565  46.366     30.565  0.0000     0.0000  60.421  22.147  ?       ?       0.000000       22.14711 
1 1 1 16  2  21 o 37.789   16.570  4.9443     20.948  -3.6731    23.876  33.761     43.661  36.369  16.660  54.501  23.910  -18.13203      29.14207 
1 1 1 16  2  22 o 66.468   19.952  54.610     25.008  65.522     28.628  19.461     51.378  71.375  21.330  51.253  23.818  20.12224       31.97253 
1 1 1 16  2  23 o 76.878   19.720  72.358     26.599  71.857     32.984  73.290     44.980  71.407  23.151  65.983  26.183  5.423492       34.95032 
1 1 1 16  2  24 o 57.089   20.143  42.225     25.003  35.571     29.808  58.020     45.925  52.630  21.169  59.266  25.249  -6.635933      32.94941 
1 1 1 16  2  25 o 43.352   17.824  18.767     21.685  24.989     26.263  5.4365     38.441  47.107  19.516  43.580  20.369  3.526936       28.20888 
1 1 1 16  2  26 o 48.533   18.905  29.014     23.073  17.463     28.249  52.162     39.991  43.850  19.235  56.380  23.769  -12.53044      30.57693 
1 1 1 16  2  27 o 47.829   20.234  28.889     29.143  29.290     42.367  28.529     40.152  48.576  22.230  48.251  21.911  0.3256378      31.21354 
1 1 1 16  2  28 o 41.956   18.754  15.089     28.118  -0.3511    40.703  29.184     38.890  41.268  19.768  47.572  21.588  -6.304241      29.27152 
1 1 1 16  2  29 o 64.789   23.749  74.758     35.147  26.492     48.728  127.103    50.745  46.622  22.136  73.763  28.220  -27.14041      35.86610 
1 1 1 16  2  30 o 36.379   16.500  6.4926     22.679  -3.7399    28.644  23.685     37.129  35.785  16.985  44.445  20.511  -8.660164      26.63057 
1 1 1 16  2  31 o 29.677   13.966  -6.1675    18.610  -6.8230    25.484  -5.4186    27.240  33.283  15.860  34.383  16.388  -1.100613      22.80648 
1 1 1 16  2  32 o 37.589   16.983  11.648     23.762  67.912     41.805  -15.2051   28.880  53.870  23.520  32.576  15.856  21.29368       28.36601 
1 1 1 16  2  33 o 36.966   16.677  12.085     22.815  -0.6537    36.392  20.334     29.285  37.017  17.967  40.610  18.546  -3.592422      25.82178 
1 1 1 16  2  34 o 43.056   18.285  28.788     23.947  70.322     39.074  3.8029     30.306  52.866  22.914  35.839  17.139  17.02705       28.61413 
1 1 1 16  2  35 o 49.106   19.378  43.626     24.510  68.670     44.966  33.041     29.234  48.240  22.371  42.868  19.145  5.371582       29.44437 
1 1 1 16  2  36 o 28.399   13.473  -3.8523    17.985  -11.7233   26.368  2.9955     24.595  30.357  14.856  32.937  15.664  -2.580084      21.58852 
1 1 1 16  3  0  o 138.783  10.476  176.253    25.200  161.377    34.444  193.386    36.966  129.284 15.571  141.991 15.144  -12.70731      21.72105 
1 1 1 16  3  1  o 170.233  10.360  264.767    30.647  236.596    42.230  296.114    44.547  156.525 15.662  176.305 14.602  -19.78070      21.41297 
1 1 1 16  3  2  o 147.143  12.561  202.501    31.962  175.518    51.130  219.809    40.949  126.584 24.012  150.507 15.819  -23.92279      28.75410 
1 1 1 16  3  3  o 210.278  12.361  412.254    45.186  279.863    75.390  486.478    56.449  152.741 29.334  225.979 14.381  -73.23807      32.66970 
1 1 1 16  3  4  o 130.853  13.772  163.223    30.995  153.176    51.674  168.868    38.737  114.759 26.345  129.904 17.525  -15.14507      31.64170 
1 1 1 16  3  5  o 220.540  13.467  460.786    51.608  393.280    88.149  495.992    63.659  180.763 28.902  224.767 16.332  -44.00381      33.19750 
1 1 1 16  3  6  o 139.455  13.500  185.524    32.460  152.801    55.165  202.854    40.145  111.120 28.342  143.141 16.356  -32.02097      32.72328 
1 1 1 16  3  7  o 50.815   19.753  22.515     25.150  0.0000     0.0000  22.515     25.150  ?       ?       50.815  19.753  0.000000       19.75316 
1 1 1 16  3  8  o 93.927   21.023  96.387     33.617  0.0000     0.0000  96.387     33.617  ?       ?       93.927  21.023  0.000000       21.02251 
1 1 1 16  3  9  o 68.815   21.291  53.024     28.193  0.0000     0.0000  53.024     28.193  ?       ?       68.815  21.291  0.000000       21.29079 
1 1 1 16  3  10 o 38.878   16.669  4.8884     20.246  -16.1209   35.081  15.380     24.791  41.559  19.435  46.486  19.079  -4.926369      27.23446 
1 1 1 16  3  11 o 82.303   19.365  73.700     27.364  39.175     33.983  137.370    46.149  59.936  23.055  106.362 25.230  -46.42522      34.17774 
1 1 1 16  3  12 o 104.025  14.270  107.048    25.236  81.837     35.724  132.158    35.653  82.156  23.635  110.981 19.087  -28.82496      30.37934 
1 1 1 16  3  13 o 123.578  12.966  148.260    27.562  163.899    39.529  133.464    38.449  123.475 18.939  109.003 20.963  14.47141       28.25134 
1 1 1 16  3  14 o 58.183   17.964  36.899     20.082  38.759     27.750  34.854     29.098  58.449  21.151  56.333  21.413  2.115223       30.09796 
1 1 1 16  3  15 o 46.142   18.290  18.994     21.927  5.5981     27.743  41.289     35.791  42.743  18.893  59.236  23.403  -16.49240      30.07772 
1 1 1 16  3  16 o 38.758   16.037  9.5930     17.704  40.911     26.687  -15.0221   23.659  59.018  20.812  33.394  15.725  25.62407       26.08431 
1 1 1 16  3  17 o 46.000   18.251  19.716     21.851  11.462     25.734  41.047     41.370  43.507  18.726  58.155  24.326  -14.64801      30.69900 
1 1 1 16  3  18 o 30.231   13.942  -7.2804    17.116  -23.8637   20.059  37.122     32.823  27.920  13.501  55.764  22.290  -27.84454      26.05980 
1 1 1 16  3  19 o 39.819   16.168  12.585     17.566  6.4796     20.120  32.156     36.024  38.023  16.461  53.377  22.534  -15.35386      27.90627 
1 1 1 16  3  20 o 69.891   19.842  59.650     25.343  59.650     25.343  0.0000     0.0000  69.891  19.842  ?       ?       0.000000       19.84196 
1 1 1 16  3  21 o 32.116   14.595  -2.8576    17.860  1.3092     23.366  -8.7135    27.700  37.324  16.854  36.694  17.195  0.6305885      24.07752 
1 1 1 16  3  22 o 39.943   16.550  13.081     18.891  18.794     23.949  3.6730     30.735  44.438  18.542  41.228  18.892  3.210155       26.47073 
1 1 1 16  3  23 o 45.186   19.504  19.275     28.079  19.275     28.079  0.0000     0.0000  45.186  19.504  ?       ?       0.000000       19.50441 
1 1 1 16  3  24 o 28.643   13.319  -6.9397    16.108  3.3509     22.657  -17.4564   22.905  36.836  16.619  30.786  14.769  6.050344       22.23305 
1 1 1 16  3  25 o 36.852   15.411  10.709     16.598  19.836     21.260  -3.5353    26.560  43.202  17.692  36.288  16.950  6.914303       24.50162 
1 1 1 16  3  26 o 37.549   15.355  12.790     15.986  11.958     19.825  14.338     27.029  38.504  16.501  41.684  18.526  -3.180218      24.80908 
1 1 1 16  3  27 o 27.051   12.748  -8.8870    15.603  -8.8870    15.603  0.0000     0.0000  27.051  12.748  ?       ?       0.000000       12.74769 
1 1 1 16  3  28 o 28.223   13.432  -11.1391   18.150  -14.0184   19.763  4.3693     45.865  28.614  13.725  42.181  20.401  -13.56670      24.58813 
1 1 1 16  3  29 o 30.400   13.714  1.1669     15.423  15.271     21.896  -12.7221   21.728  39.387  17.112  30.008  14.393  9.378849       22.36037 
1 1 1 16  3  30 o 27.851   13.126  -7.0592    16.551  37.593     25.694  -38.7317   21.639  49.016  19.676  24.593  12.282  24.42289       23.19433 
1 1 1 16  3  31 o 27.331   12.995  -8.7962    16.907  -11.0997   27.801  -7.4443    21.298  32.776  15.860  30.516  14.530  2.259871       21.50941 
1 1 1 16  3  32 o 41.981   16.769  23.965     18.562  19.571     29.002  27.015     24.159  40.110  18.369  42.792  18.274  -2.682728      25.91086 
1 1 1 16  3  33 o 34.023   15.875  4.9806     23.194  13.374     42.174  1.3412     27.771  39.113  19.065  34.450  16.455  4.663647       25.18438 
1 1 1 16  3  34 o 31.285   14.909  -2.2169    22.523  22.922     40.689  -13.3222   27.044  39.626  19.177  30.678  15.020  8.947590       24.35961 
1 1 1 16  3  35 o 29.941   14.335  -3.7353    21.341  -14.6075   35.196  2.5856     26.836  32.442  16.114  33.276  15.969  -0.8338165     22.68638 
1 1 1 16  4  0  o 56.183   17.919  32.059     19.823  22.952     32.452  37.480     25.036  53.852  21.934  60.019  20.196  -6.166477      29.81572 
1 1 1 16  4  1  o 118.743  17.796  143.011    35.760  135.563    49.556  151.103    51.654  106.333 26.722  112.649 26.673  -6.315674      37.75665 
1 1 1 16  4  2  o 83.810   16.408  70.850     23.152  58.838     37.108  78.507     29.625  71.209  24.576  85.501  20.170  -14.29117      31.79334 
1 1 1 16  4  3  o 82.971   14.630  67.804     20.420  66.839     28.389  68.839     29.395  78.254  20.523  79.113  20.949  -0.8599472     29.32652 
1 1 1 16  4  4  f 68.343   15.417  47.120     17.959  50.519     24.373  43.084     26.563  68.412  19.471  62.915  20.795  5.496605       28.48797 
1 1 1 16  4  5  o 70.914   15.797  51.123     19.059  37.446     25.480  68.496     28.717  59.190  20.368  78.712  20.640  -19.52242      28.99822 
1 1 1 16  4  6  o 83.098   15.119  69.130     21.129  67.876     29.089  70.530     30.741  77.846  20.943  78.757  21.673  -0.9108200     30.13828 
1 1 1 16  4  7  o 115.707  12.953  129.018    25.721  138.804    36.134  118.967    36.619  114.652 18.694  103.729 20.940  10.92302       28.07057 
1 1 1 16  4  8  o 148.773  13.580  215.184    34.888  196.158    57.187  226.464    44.032  124.907 27.008  148.079 17.359  -23.17207      32.10528 
1 1 1 16  4  9  o 105.469  15.367  112.248    27.468  127.641    45.862  103.638    34.301  100.320 25.977  95.769  21.083  4.551292       33.45602 
1 1 1 16  4  10 o 105.907  20.788  126.112    37.069  88.304     51.795  165.809    53.075  77.491  28.755  112.549 27.290  -35.05804      39.64301 
1 1 1 16  4  11 o 95.952   17.609  98.067     28.414  121.381    48.893  86.178     34.915  93.213  27.879  83.894  23.102  9.318718       36.20692 
1 1 1 16  4  12 o 65.421   19.463  48.924     23.876  46.164     30.042  53.657     39.339  61.943  22.055  64.395  24.796  -2.452511      33.18538 
1 1 1 16  4  13 o 60.719   21.282  44.107     27.880  44.107     27.880  0.0000     0.0000  60.719  21.282  ?       ?       0.000000       21.28226 
1 1 1 16  4  14 o 28.303   12.868  -4.6794    13.904  7.4129     18.498  -20.3826   21.080  37.912  16.084  29.786  14.257  8.126459       21.49347 
1 1 1 16  4  15 o 61.051   17.431  41.764     19.501  34.778     24.938  52.759     31.286  54.772  20.016  63.906  22.534  -9.133640      30.13958 
1 1 1 16  4  16 f 28.951   13.084  -3.3116    14.111  -12.4477   21.507  3.5943     18.699  32.071  15.067  35.871  15.694  -3.800137      21.75622 
1 1 1 16  4  17 o 55.637   17.527  35.426     19.010  33.034     27.948  37.485     25.932  52.915  20.752  55.447  20.388  -2.532093      29.09178 
1 1 1 16  4  18 o 45.164   16.840  21.449     17.808  0.3083     26.699  38.391     23.900  38.891  17.740  55.933  19.698  -17.04202      26.50903 
1 1 1 16  4  19 o 77.159   16.595  66.612     21.694  53.309     26.501  93.640     37.775  63.978  20.752  79.815  24.637  -15.83644      32.21201 
1 1 1 16  4  20 o 43.635   16.801  19.934     18.061  10.346     22.240  38.506     30.952  39.901  17.291  53.853  21.603  -13.95216      27.67053 
1 1 1 16  4  21 o 34.449   15.483  1.3927     19.451  1.3927     19.451  0.0000     0.0000  34.449  15.483  ?       ?       0.000000       15.48327 
1 1 1 16  4  22 o 35.398   15.886  2.9600     20.396  2.9600     20.396  0.0000     0.0000  35.398  15.886  ?       ?       0.000000       15.88630 
1 1 1 16  4  23 o 51.679   20.917  37.384     29.301  37.384     29.301  0.0000     0.0000  51.679  20.917  ?       ?       0.000000       20.91727 
1 1 1 16  4  24 o 37.434   16.290  9.7093     19.907  0.2271     26.550  21.885     30.085  36.929  17.148  44.840  19.755  -7.911373      26.15916 
1 1 1 16  4  25 o 35.900   15.465  9.2102     17.581  13.294     26.619  6.0503     23.414  40.675  18.209  37.090  16.799  3.584518       24.77467 
1 1 1 16  4  26 o 55.780   18.319  42.136     20.626  23.352     29.788  59.436     28.588  44.140  19.541  61.080  21.540  -16.93950      29.08252 
1 1 1 16  4  27 o 40.582   16.357  18.958     17.838  32.415     25.509  6.0787     24.954  47.276  19.372  36.881  16.945  10.39523       25.73768 
1 1 1 16  4  28 o 67.404   18.158  61.329     21.850  88.739     30.340  31.793     31.494  74.711  21.864  45.596  20.143  29.11549       29.72888 
1 1 1 16  4  29 o 50.923   17.995  37.558     19.962  45.430     26.675  27.539     30.093  51.691  20.274  43.446  19.412  8.244789       28.06839 
1 1 1 16  4  30 o 89.100   17.538  104.880    26.313  129.092    35.092  73.781     39.771  87.995  22.692  54.841  23.433  33.15425       32.62004 
1 1 1 16  4  31 o 53.173   18.858  45.680     21.943  29.182     30.512  63.349     31.578  42.269  19.158  54.781  21.875  -12.51187      29.07819 
1 1 1 16  4  32 o 60.174   18.596  56.503     21.514  50.417     28.667  64.352     32.554  49.645  20.462  53.010  21.822  -3.364693      29.91488 
1 1 1 16  4  33 o 42.885   18.230  32.605     23.845  31.255     34.997  33.774     32.575  40.544  19.102  41.424  19.150  -0.8797188     27.04840 
1 1 1 16  5  0  o 31.590   14.399  -6.7702    17.546  8.9630     24.579  -23.1200   25.056  43.384  18.477  33.069  15.750  10.31584       24.27885 
1 1 1 16  5  1  o 39.001   15.658  10.265     16.276  6.2509     23.987  13.690     22.158  41.780  18.031  44.247  18.084  -2.466911      25.53735 
1 1 1 16  5  2  o 43.996   16.186  17.678     16.348  3.1150     26.143  27.030     20.949  41.711  18.393  51.634  18.414  -9.923893      26.02680 
1 1 1 16  5  3  o 48.050   16.221  23.132     16.151  61.721     26.697  0.8555     20.284  74.155  20.111  36.831  16.224  37.32374       25.83902 
1 1 1 16  5  4  o 42.891   16.797  15.145     18.291  25.084     26.062  5.4969     25.677  51.174  20.048  42.107  18.408  9.067085       27.21692 
1 1 1 16  5  5  o 98.340   16.123  99.554     26.724  112.928    35.671  82.445     40.347  99.604  21.163  79.227  25.596  20.37681       33.21227 
1 1 1 16  5  6  o 128.406  12.095  158.620    26.797  151.351    38.831  165.230    37.028  117.212 19.670  125.279 17.397  -8.066910      26.25957 
1 1 1 16  5  7  o 82.793   16.230  71.801     22.623  77.716     28.589  61.892     37.002  82.597  20.030  68.927  24.484  13.66990       31.63332 
1 1 1 16  5  8  o 42.329   15.687  16.711     15.406  14.603     18.743  21.101     27.048  42.260  16.860  48.639  19.941  -6.379185      26.11362 
1 1 1 16  5  9  o 64.061   19.289  47.339     23.346  42.801     32.769  52.016     33.270  59.303  22.680  63.882  23.153  -4.579365      32.41076 
1 1 1 16  5  10 f 41.999   16.544  15.304     17.837  16.796     30.347  14.516     22.047  47.323  20.352  43.294  17.904  4.028687       27.10609 
1 1 1 16  5  11 o 51.753   19.431  29.680     23.787  0.0000     0.0000  29.680     23.787  ?       ?       51.753  19.431  0.000000       19.43072 
1 1 1 16  5  12 o 55.193   19.984  36.022     24.776  0.0000     0.0000  36.022     24.776  ?       ?       55.193  19.984  0.000000       19.98360 
1 1 1 16  5  13 o 81.770   16.012  72.130     22.043  33.870     34.435  98.692     28.691  53.666  22.299  93.417  18.244  -39.75080      28.81152 
1 1 1 16  5  14 o 115.936  14.981  141.351    29.617  133.812    35.521  158.546    53.647  106.428 19.845  98.690  29.129  7.737976       35.24654 
1 1 1 16  5  15 o 43.262   16.965  18.488     18.676  16.592     22.113  23.207     34.882  43.201  17.903  48.931  21.421  -5.730499      27.91776 
1 1 1 16  5  16 o 64.196   19.712  51.954     24.220  52.594     30.395  50.840     40.085  61.452  22.152  58.184  24.108  3.268154       32.73988 
1 1 1 16  5  17 o 42.827   17.825  17.018     22.055  20.837     26.335  8.0495     40.359  45.604  19.260  45.066  20.998  0.5384789      28.49360 
1 1 1 16  5  18 o 57.087   19.862  42.857     24.262  30.721     29.155  70.190     43.753  49.764  20.585  62.790  25.509  -13.02532      32.77856 
1 1 1 16  5  19 o 39.271   16.923  11.441     21.069  9.5553     26.035  15.019     35.862  40.382  18.048  44.785  20.480  -4.402664      27.29767 
1 1 1 16  5  20 o 72.771   20.208  70.682     26.591  66.860     31.891  79.402     48.170  65.664  22.776  62.220  26.151  3.444237       34.67892 
1 1 1 16  5  21 o 33.905   15.398  1.2022     19.833  15.653     23.134  -38.8782   38.527  41.138  17.731  34.648  17.148  6.490314       24.66619 
1 1 1 16  5  22 o 71.313   20.047  69.892     26.002  79.858     31.194  47.201     47.069  72.009  22.415  51.432  23.497  20.57753       32.47368 
1 1 1 16  5  23 o 28.104   13.452  -13.2626   18.768  6.3890     21.970  -66.3143   36.098  36.319  16.377  29.813  15.021  6.506737       22.22281 
1 1 1 16  5  24 f 58.776   18.093  46.602     20.390  39.290     28.516  54.251     29.167  49.985  20.482  57.033  21.496  -7.048313      29.69178 
1 1 1 16  5  25 o 44.270   16.997  25.513     18.447  33.151     26.448  18.276     25.743  46.935  19.526  40.866  18.125  6.068813       26.64141 
1 1 1 16  5  26 o 31.650   14.222  3.6881     16.402  11.262     22.615  -4.7180    23.825  37.149  16.696  32.647  15.494  4.502159       22.77764 
1 1 1 16  5  27 f 38.061   16.042  16.486     18.211  -2.7026    25.635  36.039     25.876  33.530  15.959  46.871  19.391  -13.34080      25.11339 
1 1 1 16  5  28 o 27.297   12.911  -6.2813    16.278  -18.3137   23.850  4.2117     22.272  28.911  14.145  33.747  15.682  -4.836033      21.11887 
1 1 1 16  5  29 o 44.011   17.102  28.963     18.846  20.558     26.779  37.209     26.527  39.233  17.846  45.438  19.268  -6.204823      26.26295 
1 1 1 16  5  30 o 37.308   16.221  17.929     19.706  0.1793     29.027  33.104     26.839  33.751  16.301  42.782  18.758  -9.031597      24.85145 
1 1 1 16  6  0  o 88.695   18.067  85.381     27.030  75.874     34.947  99.540     42.646  77.312  23.669  85.708  26.128  -8.395699      35.25475 
1 1 1 16  6  1  o 84.782   15.359  74.242     21.900  66.021     31.655  81.790     30.331  72.881  22.562  83.646  20.843  -10.76467      30.71603 
1 1 1 16  6  2  o 76.228   21.120  69.464     29.079  56.520     40.665  83.011     41.600  64.878  25.146  76.913  26.033  -12.03551      36.19450 
1 1 1 16  6  3  o 67.617   17.044  49.947     20.116  47.315     23.585  56.975     38.536  63.843  19.424  65.065  24.664  -1.221661      31.39394 
1 1 1 16  6  4  o 113.309  17.190  137.996    32.942  91.075     43.457  201.382    50.509  78.892  26.608  127.505 23.555  -48.61336      35.53621 
1 1 1 16  6  5  o 107.708  14.034  117.706    25.767  65.323     39.335  157.078    34.102  67.855  25.082  121.529 16.497  -53.67432      30.02143 
1 1 1 16  6  6  o 92.023   15.301  88.767     23.723  70.725     36.480  101.986    31.227  71.215  24.377  93.800  19.693  -22.58483      31.33809 
1 1 1 16  6  7  o 116.141  17.398  147.924    34.195  117.748    44.744  190.294    53.020  89.443  26.652  116.889 26.579  -27.44637      37.63958 
1 1 1 16  6  8  o 96.939   19.517  109.754    31.892  103.135    41.542  119.255    49.769  83.833  25.829  84.989  28.476  -1.155525      38.44518 
1 1 1 16  6  9  o 135.678  13.727  188.244    32.072  170.803    38.460  228.059    58.111  122.306 18.595  125.592 27.280  -3.286781      33.01471 
1 1 1 16  6  10 f 64.011   20.419  52.185     25.739  42.046     34.167  65.487     39.136  56.107  22.630  65.256  24.827  -9.149235      33.59292 
1 1 1 16  6  11 o 85.035   21.325  92.573     31.605  56.948     42.377  137.228    47.444  60.245  24.860  92.920  27.384  -32.67504      36.98537 
1 1 1 16  6  12 f 57.382   20.444  43.109     25.818  36.196     35.225  51.133     37.950  52.773  22.281  58.278  23.726  -5.504978      32.54778 
1 1 1 16  6  13 o 53.087   18.321  34.512     20.622  42.995     23.854  9.4169     41.030  57.637  19.712  45.346  21.143  12.29107       28.90676 
1 1 1 16  6  14 o 72.946   18.218  64.461     23.134  73.366     27.821  44.501     41.651  74.570  20.657  54.217  23.578  20.35362       31.34674 
1 1 1 16  6  15 o 88.512   15.369  86.860     22.891  108.281    31.362  62.438     33.487  92.343  20.028  62.985  23.167  29.35763       30.62381 
1 1 1 16  6  16 o 72.362   16.578  61.321     20.496  42.974     28.540  80.860     29.453  54.492  21.081  76.417  21.285  -21.92518      29.95767 
1 1 1 16  6  17 f 47.318   18.491  28.214     22.128  -20.9920   37.746  53.980     27.314  36.982  18.028  60.572  21.075  -23.59068      27.73372 
1 1 1 16  6  18 o 46.520   18.778  27.715     23.546  28.039     46.593  27.604     27.287  47.367  22.229  46.395  19.601  0.9721031      29.63654 
1 1 1 16  6  19 o 36.035   15.618  9.3683     18.151  -11.4843   27.556  25.351     24.125  33.866  16.234  44.877  18.657  -11.01103      24.73148 
1 1 1 16  6  20 f 39.111   16.631  15.229     19.855  24.997     28.678  6.2363     27.517  44.343  19.418  38.006  17.581  6.337231       26.19412 
1 1 1 16  6  21 o 63.747   20.925  63.611     26.912  78.789     31.410  21.705     52.192  68.129  22.617  44.364  21.529  23.76540       31.22586 
1 1 1 16  6  22 o 41.570   18.216  21.061     25.276  16.448     28.836  36.361     52.512  40.398  18.431  45.707  22.038  -5.309082      28.72940 
1 1 1 16  6  23 o 36.392   16.728  8.2429     24.355  6.1552     27.628  15.521     51.584  36.705  17.191  41.905  20.564  -5.199207      26.80305 
1 1 1 16  6  24 o 58.366   18.949  52.000     22.093  53.910     31.803  50.219     30.713  51.862  21.480  50.863  21.091  0.9985275      30.10319 
1 1 1 16  6  25 o 72.322   19.497  79.166     25.180  83.060     34.421  74.684     36.932  61.584  23.318  55.676  23.110  5.908173       32.83024 
1 1 1 16  6  26 o 49.568   18.776  41.620     22.323  60.881     29.883  17.302     33.578  53.937  21.361  38.601  18.341  15.33557       28.15478 
1 1 1 16  7  0  o 75.436   24.021  79.278     35.632  79.278     35.632  0.0000     0.0000  75.436  24.021  ?       ?       0.000000       24.02096 
1 1 1 16  7  1  o 41.581   16.615  15.452     18.230  11.845     23.024  21.513     29.846  41.653  17.815  47.860  20.372  -6.207882      27.06229 
1 1 1 16  7  2  o 80.624   18.915  76.422     26.169  44.970     33.634  124.670    41.658  57.801  22.735  94.428  24.907  -36.62680      33.72273 
1 1 1 16  7  3  o 34.815   14.794  6.3309     15.692  15.875     17.845  -26.2188   32.956  41.455  16.479  35.704  17.274  5.751881       23.87370 
1 1 1 16  7  4  o 51.954   17.881  31.615     19.637  35.011     24.128  24.951     33.795  53.382  19.660  49.132  21.302  4.250225       28.98831 
1 1 1 16  7  5  o 60.702   18.859  45.342     22.094  58.701     27.886  22.816     36.211  66.292  21.265  48.506  21.506  17.78623       30.24393 
1 1 1 16  7  6  o 46.179   18.868  22.777     24.111  28.748     35.205  17.502     33.090  49.965  21.703  45.915  20.446  4.050335       29.81736 
1 1 1 16  7  7  o 48.412   18.165  27.582     20.782  22.297     36.492  30.119     25.283  47.714  21.343  49.713  19.661  -1.999554      29.01855 
1 1 1 16  7  8  o 57.993   19.204  43.260     22.651  49.276     39.247  40.255     27.736  56.143  23.601  54.369  20.849  1.774197       31.49121 
1 1 1 16  7  9  o 61.016   17.743  45.607     20.036  48.345     28.770  43.028     27.920  57.954  21.446  55.379  20.993  2.575340       30.01039 
1 1 1 16  7  10 o 72.194   19.571  67.604     25.289  82.751     45.333  60.761     30.471  65.031  26.124  63.449  22.249  1.581692       34.31441 
1 1 1 16  7  11 o 64.908   19.650  56.470     24.181  100.171    43.620  37.081     29.055  72.449  26.472  51.272  20.802  21.17695       33.66772 
1 1 1 16  7  12 o 100.572  17.406  120.910    29.459  153.375    52.737  106.186    35.517  85.067  29.301  83.482  23.416  1.585136       37.50846 
1 1 1 16  7  13 o 62.416   17.654  49.413     20.101  55.993     28.386  42.794     28.469  60.239  21.440  53.111  20.908  7.127693       29.94683 
1 1 1 16  7  14 o 73.019   16.650  64.544     20.757  77.752     28.550  49.733     30.232  72.888  21.175  55.238  21.606  17.64971       30.25203 
1 1 1 16  7  15 o 48.938   17.410  31.489     18.716  31.973     24.359  30.791     29.242  47.655  19.148  46.582  20.004  1.073494       27.69104 
1 1 1 16  7  16 o 66.690   17.908  58.574     21.293  59.400     27.639  57.368     33.399  60.659  21.194  55.760  22.415  4.898998       30.84851 
1 1 1 16  7  17 o 61.753   18.754  53.938     22.001  63.826     29.643  41.810     32.828  60.625  21.873  48.964  21.112  11.66108       30.39965 
1 1 1 16  7  18 o 64.932   18.902  60.398     22.729  68.431     30.795  50.786     33.687  61.136  22.257  51.239  21.720  9.896328       31.09886 
1 1 1 16  7  19 o 55.402   18.580  45.891     21.187  48.723     28.234  42.242     32.055  51.992  20.709  47.782  20.732  4.210556       29.30296 
1 1 1 16  7  20 o 32.266   14.635  4.7373     17.845  14.595     24.045  -7.3505    26.626  37.787  17.077  32.546  15.692  5.241074       23.19245 
1 1 1 16  7  21 o 40.956   18.238  24.700     26.325  12.661     30.065  64.264     54.503  37.648  17.727  46.279  22.348  -8.631153      28.52566 
1 1 1 16  8  0  o 59.054   19.549  45.897     23.471  26.776     27.872  92.517     43.521  47.603  19.944  71.157  26.368  -23.55436      33.06050 
1 1 1 16  8  1  o 32.163   14.748  -2.6367    18.773  17.679     23.398  -39.3434   31.452  42.712  18.103  31.686  15.647  11.02620       23.92805 
1 1 1 16  8  2  o 47.112   16.850  26.359     17.553  22.088     26.897  29.527     23.166  45.050  19.261  48.459  18.924  -3.409321      27.00205 
1 1 1 16  8  3  o 108.703  13.789  126.645    25.583  120.559    36.733  132.379    35.651  91.270  23.045  99.640  21.146  -8.369759      31.27680 
1 1 1 16  8  4  o 58.691   17.769  43.604     19.773  21.162     29.289  62.398     26.802  44.493  19.550  66.238  20.803  -21.74475      28.54754 
1 1 1 16  8  5  o 49.487   17.196  30.697     18.183  34.771     28.137  27.776     23.826  49.653  20.346  46.671  18.872  2.982018       27.75083 
1 1 1 16  8  6  o 90.746   14.926  92.718     22.828  106.093    34.222  81.995     30.642  83.965  22.768  73.741  22.074  10.22372       31.71219 
1 1 1 16  8  7  o 46.131   17.728  27.257     20.082  35.371     37.489  23.992     23.782  48.291  21.615  44.203  18.463  4.088268       28.42676 
1 1 1 16  8  8  o 62.585   19.576  55.646     23.762  54.168     43.667  56.268     28.322  52.263  23.365  59.192  21.376  -6.929691      31.66786 
1 1 1 16  8  9  f 72.932   17.320  67.199     21.728  76.419     32.166  59.461     29.467  66.572  22.886  59.536  21.757  7.035942       31.57772 
1 1 1 16  8  10 o 27.675   13.090  -8.3481    16.732  -25.2590   35.042  -3.3538    19.043  33.835  16.671  30.883  14.401  2.951506       22.03010 
1 1 1 16  8  11 o 27.190   13.104  -14.2134   18.516  0.0000     0.0000  -14.2134   18.516  ?       ?       27.190  13.104  0.000000       13.10403 
1 1 1 16  8  12 o 29.494   14.170  -11.5919   21.253  0.0000     0.0000  -11.5919   21.253  ?       ?       29.494  14.170  0.000000       14.16990 
1 1 1 16  8  13 o 29.856   14.002  -3.6578    18.436  -21.6912   33.439  4.2168     22.097  32.921  16.234  34.185  15.793  -1.264023      22.64831 
1 1 1 16  8  14 o 36.905   16.596  12.753     22.383  0.0000     0.0000  12.753     22.383  ?       ?       36.905  16.596  0.000000       16.59609 
1 1 1 17  0  0  f 25.033   15.255  5.5476     12.554  5.5476     12.554  5.5476     12.554  25.033  15.255  25.033  15.255  0.000000       0.000000 
1 1 1 17  0  1  o 29.463   17.167  10.123     14.608  10.123     14.608  10.123     14.608  29.463  17.167  29.463  17.167  0.000000       0.000000 
1 1 1 17  0  2  o 44.307   19.577  26.000     15.930  26.000     15.930  26.000     15.930  44.307  19.577  44.307  19.577  0.000000       0.000000 
1 1 1 17  0  3  o 23.960   14.670  4.8148     11.734  4.8148     11.734  4.8148     11.734  23.960  14.670  23.960  14.670  0.000000       0.000000 
1 1 1 17  0  4  o 122.317  15.217  141.799    31.143  141.799    31.143  141.799    31.143  122.317 15.217  122.317 15.217  0.000000       0.000000 
1 1 1 17  0  5  o 62.144   19.721  44.445     18.831  44.445     18.831  44.445     18.831  62.144  19.721  62.144  19.721  0.000000       0.000000 
1 1 1 17  0  6  o 34.399   18.207  16.060     14.663  16.060     14.663  16.060     14.663  34.399  18.207  34.399  18.207  0.000000       0.000000 
1 1 1 17  0  7  o 19.907   13.017  -0.8473    11.163  -0.8473    11.163  -0.8473    11.163  19.907  13.017  19.907  13.017  0.000000       0.000000 
1 1 1 17  0  8  o 39.780   19.048  21.612     15.221  21.612     15.221  21.612     15.221  39.780  19.048  39.780  19.048  0.000000       0.000000 
1 1 1 17  0  9  o 31.180   19.709  6.2216     22.959  6.2216     22.959  6.2216     22.959  31.180  19.709  31.180  19.709  0.000000       0.000000 
1 1 1 17  0  10 o 15.835   11.264  -17.8660   13.470  -17.8660   13.470  -17.8660   13.470  15.835  11.264  15.835  11.264  0.000000       0.000000 
1 1 1 17  0  11 o 56.446   26.505  45.962     29.326  45.962     29.326  45.962     29.326  56.446  26.505  56.446  26.505  0.000000       0.000000 
1 1 1 17  0  12 o 94.116   27.287  103.936    38.914  103.936    38.914  103.936    38.914  94.116  27.287  94.116  27.287  0.000000       0.000000 
1 1 1 17  0  13 o 37.293   21.024  18.809     20.887  18.809     20.887  18.809     20.887  37.293  21.024  37.293  21.024  0.000000       0.000000 
1 1 1 17  0  14 o 34.630   19.172  16.208     16.992  16.208     16.992  16.208     16.992  34.630  19.172  34.630  19.172  0.000000       0.000000 
1 1 1 17  0  15 o 32.333   18.509  13.415     16.521  13.415     16.521  13.415     16.521  32.333  18.509  32.333  18.509  0.000000       0.000000 
1 1 1 17  0  16 o 35.647   19.854  17.346     18.345  17.346     18.345  17.346     18.345  35.647  19.854  35.647  19.854  0.000000       0.000000 
1 1 1 17  0  17 o 49.016   25.817  36.440     29.373  36.440     29.373  36.440     29.373  49.016  25.817  49.016  25.817  0.000000       0.000000 
1 1 1 17  0  18 o 90.338   25.412  95.051     34.700  95.051     34.700  95.051     34.700  90.338  25.412  90.338  25.412  0.000000       0.000000 
1 1 1 17  0  19 o 30.539   19.902  2.2829     25.768  2.2829     25.768  2.2829     25.768  30.539  19.902  30.539  19.902  0.000000       0.000000 
1 1 1 17  0  20 o 26.531   17.906  -6.8618    24.114  -6.8618    24.114  -6.8618    24.114  26.531  17.906  26.531  17.906  0.000000       0.000000 
1 1 1 17  0  21 o 42.271   24.192  26.250     28.215  26.250     28.215  26.250     28.215  42.271  24.192  42.271  24.192  0.000000       0.000000 
1 1 1 17  0  22 o 26.600   18.177  -11.0034   26.493  -11.0034   26.493  -11.0034   26.493  26.600  18.177  26.600  18.177  0.000000       0.000000 
1 1 1 17  0  23 o 35.929   22.348  13.992     28.277  13.992     28.277  13.992     28.277  35.929  22.348  35.929  22.348  0.000000       0.000000 
1 1 1 17  0  24 o 34.403   22.206  7.9672     31.058  7.9672     31.058  7.9672     31.058  34.403  22.206  34.403  22.206  0.000000       0.000000 
1 1 1 17  0  25 f 37.628   24.762  7.9855     41.356  7.9855     41.356  7.9855     41.356  37.628  24.762  37.628  24.762  0.000000       0.000000 
1 1 1 17  0  26 o 34.029   23.393  -12.5820   45.360  -12.5820   45.360  -12.5820   45.360  34.029  23.393  34.029  23.393  0.000000       0.000000 
1 1 1 17  0  27 o 43.784   27.547  27.736     44.269  27.736     44.269  27.736     44.269  43.784  27.547  43.784  27.547  0.000000       0.000000 
1 1 1 17  0  28 o 35.182   24.065  -6.9288    46.685  -6.9288    46.685  -6.9288    46.685  35.182  24.065  35.182  24.065  0.000000       0.000000 
1 1 1 17  0  29 o 26.652   18.504  -16.4402   30.170  -16.4402   30.170  -16.4402   30.170  26.652  18.504  26.652  18.504  0.000000       0.000000 
1 1 1 17  1  0  o 55.504   12.865  30.540     12.225  24.345     17.470  36.484     17.112  49.130  16.868  59.106  16.131  -9.976456      23.33942 
1 1 1 17  1  1  o 117.432  10.473  129.282    21.248  137.772    30.062  120.807    30.037  117.202 15.037  108.431 16.375  8.771049       22.23156 
1 1 1 17  1  2  o 94.169   13.311  87.129     21.276  77.363     25.791  107.935    37.645  84.919  17.955  95.223  22.918  -10.30394      29.11386 
1 1 1 17  1  3  o 40.929   13.174  16.314     10.696  17.841     15.477  14.918     14.799  43.452  15.785  40.995  15.339  2.457714       22.01018 
1 1 1 17  1  4  o 42.553   13.052  17.947     10.622  20.756     15.011  15.130     15.033  45.552  15.636  41.155  15.448  4.397224       21.97982 
1 1 1 17  1  5  o 33.361   13.089  7.9791     11.123  -1.2358    22.219  11.061     12.849  36.890  16.567  36.919  14.182  -0.2918243E-01 21.80825 
1 1 1 17  1  6  o 81.365   13.390  66.209     18.361  84.909     33.808  58.385     21.867  82.713  22.714  73.162  17.376  9.551071       28.59829 
1 1 1 17  1  7  o 57.747   14.234  34.572     14.261  14.772     24.307  44.964     17.610  44.418  18.618  65.033  15.689  -20.61490      24.34698 
1 1 1 17  1  8  f 47.735   15.589  23.966     14.945  22.292     22.768  25.233     19.811  47.520  18.701  48.826  17.840  -1.306141      25.84537 
1 1 1 17  1  9  o 24.309   11.020  -3.7242    10.103  -6.4553    13.133  0.2363     15.815  26.592  12.246  32.218  14.252  -5.625816      18.79006 
1 1 1 17  1  10 o 80.333   14.585  67.249     19.704  47.776     31.026  80.413     25.509  60.579  22.297  84.746  17.805  -24.16675      28.53350 
1 1 1 17  1  11 o 30.202   12.001  6.2338     9.4623  1.1744     10.973  20.909     18.688  28.020  12.144  45.179  17.164  -17.15888      21.02509 
1 1 1 17  1  12 o 37.846   13.775  13.653     11.795  13.014     12.903  16.897     29.090  37.729  14.279  45.634  19.775  -7.905151      24.39126 
1 1 1 17  1  13 o 24.271   10.707  -0.7334    8.8684  -3.1272    9.4156  18.084     26.398  23.550  10.661  45.035  19.164  -21.48468      21.92935 
1 1 1 17  1  14 o 21.088   9.9125  -7.7340    9.3275  -12.8249   10.035  24.599     25.289  20.041  9.6555  47.423  19.344  -27.38202      21.61988 
1 1 1 17  1  15 o 54.310   16.626  34.332     17.244  40.264     19.510  13.153     36.864  57.880  17.679  45.334  20.743  12.54572       27.25473 
1 1 1 17  1  16 f 68.287   17.197  54.972     20.494  64.631     28.672  44.883     29.303  68.140  21.532  56.373  21.474  11.76742       30.40967 
1 1 1 17  1  17 o 48.625   17.703  28.634     19.481  19.578     25.802  40.640     29.710  44.105  18.861  53.581  21.274  -9.476154      28.43112 
1 1 1 17  1  18 o 41.420   16.640  17.851     18.394  38.375     24.734  -7.5475    27.515  53.040  19.833  35.561  16.810  17.47824       25.99874 
1 1 1 17  1  19 o 46.448   17.441  26.425     19.165  44.443     24.631  -1.2217    30.511  56.154  19.973  38.094  17.913  18.05981       26.82897 
1 1 1 17  1  20 o 34.406   15.175  5.8472     17.804  12.881     25.208  -1.1534    25.149  40.134  17.861  35.552  16.569  4.582222       24.36265 
1 1 1 17  1  21 o 25.795   12.673  -26.2144   19.778  -44.4006   22.528  34.920     41.304  24.706  12.367  47.821  21.909  -23.11558      25.15828 
1 1 1 17  1  22 o 37.110   15.957  12.100     18.648  -3.8542    25.513  30.402     27.326  34.317  16.211  46.239  19.579  -11.92245      25.41919 
1 1 1 17  1  23 o 44.083   18.731  26.498     25.153  26.295     31.908  26.832     40.882  43.977  19.792  44.363  20.820  -0.3863411     28.72651 
1 1 1 17  1  24 o 55.529   20.693  52.248     26.878  16.196     35.557  100.312    41.056  40.901  19.265  66.275  25.377  -25.37350      31.86130 
1 1 1 17  1  25 o 35.111   16.157  6.5488     22.807  26.776     30.557  -18.8929   34.269  42.690  19.276  33.543  16.520  9.146740       25.38626 
1 1 1 17  1  26 o 46.090   21.820  51.527     46.689  51.527     46.689  0.0000     0.0000  46.090  21.820  ?       ?       0.000000       21.82023 
1 1 1 17  1  27 f 38.227   17.094  18.121     23.391  14.125     37.809  20.599     29.773  38.542  18.612  39.384  18.242  -0.8421211     26.06165 
1 1 1 17  1  28 o 31.984   15.063  1.9151     21.727  -2.6475    40.225  3.7944     25.817  35.545  17.579  33.753  16.051  1.791901       23.80457 
1 1 1 17  1  29 o 40.319   17.808  27.616     24.597  41.356     41.755  20.314     30.440  41.480  19.910  37.785  17.806  3.694656       26.71086 
1 1 1 17  2  0  o 35.539   14.045  8.9094     12.894  0.0000     0.0000  8.9094     12.894  ?       ?       35.539  14.045  0.000000       14.04533 
1 1 1 17  2  1  o 109.007  17.014  124.487    31.326  0.0000     0.0000  124.487    31.326  ?       ?       109.007 17.014  0.000000       17.01444 
1 1 1 17  2  2  o 55.116   18.706  33.248     21.479  0.0000     0.0000  33.248     21.479  ?       ?       55.116  18.706  0.000000       18.70585 
1 1 1 17  2  3  o 23.172   11.161  -17.2322   13.389  0.0000     0.0000  -17.2322   13.389  ?       ?       23.172  11.161  0.000000       11.16125 
1 1 1 17  2  4  o 51.080   15.962  27.590     15.802  28.889     22.710  26.372     22.001  51.876  19.079  50.252  18.722  1.623928       26.73071 
1 1 1 17  2  5  o 38.359   14.680  12.530     13.734  19.218     19.338  5.7237     19.508  45.082  17.378  37.790  16.285  7.291687       23.81547 
1 1 1 17  2  6  o 35.560   13.452  10.635     11.450  14.250     13.101  -1.0543    23.559  39.325  14.487  37.493  16.928  1.831795       22.28039 
1 1 1 17  2  7  o 21.564   9.7931  -3.5252    8.0222  -5.5187    8.6331  9.0834     21.712  21.371  9.8722  40.341  17.278  -18.97030      19.89943 
1 1 1 17  2  8  o 91.779   11.357  81.999     17.811  58.877     22.139  124.427    29.990  72.360  17.674  107.715 16.469  -35.35432      24.15765 
1 1 1 17  2  9  o 44.101   14.245  20.174     12.496  19.909     14.391  20.985     25.194  43.922  15.296  46.807  19.225  -2.885109      24.56747 
1 1 1 17  2  10 o 44.421   16.561  20.286     17.219  18.082     23.147  23.016     25.766  44.591  18.384  47.623  19.487  -3.031300      26.79014 
1 1 1 17  2  11 o 37.972   15.743  10.437     17.107  7.6066     23.316  13.738     25.178  39.746  17.454  43.031  18.522  -3.284988      25.45016 
1 1 1 17  2  12 o 61.803   18.460  46.027     21.447  90.707     37.107  23.613     26.282  78.733  24.437  47.356  19.563  31.37682       31.30285 
1 1 1 17  2  13 f 36.943   15.807  8.1335     18.142  23.411     31.306  0.4090     22.260  47.724  20.597  36.035  16.345  11.68874       26.29459 
1 1 1 17  2  14 o 47.251   17.758  25.679     19.878  39.836     25.396  3.2831     31.942  55.116  20.190  41.146  19.001  13.97010       27.72479 
1 1 1 17  2  15 o 26.335   12.556  -13.6463   16.014  -16.9671   21.100  -9.1349    24.594  29.644  14.209  34.037  16.029  -4.392818      21.42031 
1 1 1 17  2  16 o 30.876   14.137  -2.9636    17.160  0.7893     22.269  -8.4502    26.925  35.527  16.204  35.278  16.662  0.2489090      23.24192 
1 1 1 17  2  17 o 40.650   16.951  15.822     19.998  43.745     24.813  -35.9296   33.780  56.174  20.040  33.169  16.348  23.00459       25.86206 
1 1 1 17  2  18 o 28.993   13.349  -3.8533    15.594  -5.2624    22.260  -2.4957    21.851  33.103  15.481  33.725  15.624  -0.6224670     21.99443 
1 1 1 17  2  19 o 34.282   15.413  3.7258     19.290  -23.0729   24.105  51.454     32.169  29.629  14.436  55.778  22.140  -26.14900      26.43048 
1 1 1 17  2  20 o 42.003   17.559  20.055     21.535  32.980     26.562  -4.7376    36.788  48.091  19.744  38.563  18.556  9.527821       27.09568 
1 1 1 17  2  21 o 50.727   19.510  38.272     24.332  27.783     30.515  56.585     40.320  45.127  19.888  53.133  23.152  -8.005836      30.52075 
1 1 1 17  2  22 o 31.582   14.762  -3.0483    20.197  -10.7354   24.796  12.104     34.814  31.965  15.343  40.529  19.082  -8.563305      24.48516 
1 1 1 17  2  23 o 30.273   14.465  -9.2499    21.498  -8.8023    25.634  -10.3109   39.467  32.485  15.595  36.847  18.063  -4.362621      23.86332 
1 1 1 17  2  24 o 41.666   17.508  23.356     21.583  34.324     25.935  -1.3511    38.926  46.116  19.273  37.538  18.301  8.578335       26.57794 
1 1 1 17  2  25 o 37.105   16.324  14.661     20.479  2.8762     28.028  28.158     29.996  35.241  16.748  42.449  19.139  -7.208580      25.43249 
1 1 1 17  2  26 o 33.698   15.453  6.9446     20.618  2.3388     30.747  10.708     27.793  35.272  16.970  36.588  17.170  -1.316647      24.14134 
1 1 1 17  2  27 o 29.267   13.964  -5.0834    19.877  -17.1131   27.577  7.9258     28.677  30.157  14.846  35.459  16.878  -5.302252      22.47773 
1 1 1 17  2  28 o 43.318   19.520  40.186     31.152  70.541     45.884  14.229     42.430  46.238  21.811  37.378  18.403  8.860123       28.53780 
1 1 1 17  3  0  o 26.448   11.406  0.6692     9.5851  -14.7432   12.672  21.281     14.654  23.094  11.054  45.815  15.451  -22.72029      18.99835 
1 1 1 17  3  1  o 104.932  15.187  113.024    27.017  112.896    47.038  113.087    33.004  88.469  27.522  100.294 19.549  -11.82565      33.75851 
1 1 1 17  3  2  o 71.724   18.474  57.966     23.277  40.900     38.636  67.689     29.164  58.262  23.854  74.705  21.312  -16.44258      31.98781 
1 1 1 17  3  3  o 52.754   18.637  30.902     21.411  36.951     35.007  27.287     27.062  56.206  22.824  51.053  20.293  5.153038       30.54070 
1 1 1 17  3  4  o 55.673   18.606  35.398     21.247  67.687     35.773  17.801     26.410  70.380  24.139  46.230  19.393  24.15042       30.96449 
1 1 1 17  3  5  o 59.558   19.366  41.986     23.073  34.867     40.501  45.406     28.073  55.111  23.601  60.300  21.336  -5.188683      31.81577 
1 1 1 17  3  6  o 45.494   16.856  21.310     17.786  19.693     26.849  22.575     23.742  46.747  19.579  47.381  18.951  -0.6339645     27.24855 
1 1 1 17  3  7  o 81.743   17.634  75.156     24.430  68.213     40.162  79.235     30.779  67.272  25.250  78.967  21.668  -11.69542      33.27215 
1 1 1 17  3  8  o 48.170   17.832  25.556     19.895  27.908     32.551  24.154     25.137  50.662  21.406  47.949  19.386  2.713192       28.87932 
1 1 1 17  3  9  o 58.527   17.608  40.010     19.461  29.952     26.655  51.490     28.478  50.694  20.143  62.213  21.526  -11.51828      29.48109 
1 1 1 17  3  10 o 37.641   15.712  10.127     17.206  21.476     24.606  -0.7328    24.070  45.982  18.956  36.836  16.819  9.146206       25.34137 
1 1 1 17  3  11 o 115.238  13.324  136.958    26.316  114.805    36.394  161.232    38.097  92.431  22.713  115.864 19.525  -23.43294      29.95160 
1 1 1 17  3  12 o 41.058   16.387  16.298     17.712  12.799     24.457  20.157     25.684  41.539  18.066  44.989  19.012  -3.450153      26.22667 
1 1 1 17  3  13 o 44.068   17.361  21.039     19.644  32.556     27.608  9.2277     27.958  50.440  20.343  41.158  18.525  9.281635       27.51384 
1 1 1 17  3  14 o 39.530   16.622  13.369     19.474  29.073     27.804  -1.7543    27.285  48.394  20.067  37.254  17.327  11.13934       26.51256 
1 1 1 17  3  15 f 33.005   15.275  -3.5749    20.810  -8.0571    26.025  4.3727     34.655  34.684  16.381  41.236  19.294  -6.551537      25.31001 
1 1 1 17  3  16 o 41.654   18.645  13.884     27.900  13.884     27.900  0.0000     0.0000  41.654  18.645  ?       ?       0.000000       18.64514 
1 1 1 17  3  17 o 42.045   18.792  16.033     28.224  16.033     28.224  0.0000     0.0000  42.045  18.792  ?       ?       0.000000       18.79159 
1 1 1 17  3  18 o 41.315   18.298  16.388     26.148  16.388     26.148  0.0000     0.0000  41.315  18.298  ?       ?       0.000000       18.29809 
1 1 1 17  3  19 o 70.562   19.606  69.372     25.022  65.012     30.407  78.518     44.039  62.174  22.184  59.124  24.935  3.049553       33.37481 
1 1 1 17  3  20 f 44.369   18.133  26.293     22.277  29.920     27.273  19.024     38.615  45.627  19.449  42.783  20.129  2.844086       27.98950 
1 1 1 17  3  21 o 35.905   15.986  9.5233     20.215  2.9187     24.259  24.531     36.568  35.089  16.326  43.225  20.089  -8.136360      25.88680 
1 1 1 17  3  22 o 34.769   15.033  10.399     16.738  14.543     23.790  6.3372     23.554  38.350  17.188  35.491  16.364  2.858849       23.73201 
1 1 1 17  3  23 f 28.099   13.165  -4.1627    16.228  -20.4268   19.944  27.706     27.918  26.292  12.878  42.751  18.922  -16.45881      22.88864 
1 1 1 17  3  24 o 43.666   16.758  27.268     17.930  16.010     22.444  47.122     29.806  37.671  16.803  48.885  20.560  -11.21386      26.55243 
1 1 1 17  3  25 o 43.528   16.615  27.732     17.566  19.701     21.660  43.161     30.022  38.539  16.876  46.247  20.065  -7.708309      26.21821 
1 1 1 17  3  26 o 32.092   14.118  8.8242     15.315  17.967     20.612  -2.4452    22.884  37.188  16.369  31.101  14.878  6.087555       22.12007 
1 1 1 17  4  0  o 25.849   11.541  -2.0801    10.614  -9.2333    12.175  20.579     21.669  24.361  11.410  46.140  18.216  -21.77945      21.49481 
1 1 1 17  4  1  o 28.812   12.648  0.1107     12.233  -10.5774   14.811  23.059     21.702  26.744  12.545  47.418  18.372  -20.67381      22.24692 
1 1 1 17  4  2  o 29.159   13.425  -6.5322    15.774  -8.4887    23.545  -4.9392    21.246  34.673  16.116  34.221  15.691  0.4517975      22.49313 
1 1 1 17  4  3  o 41.856   15.992  16.752     16.283  11.588     21.755  23.328     24.552  41.084  17.437  47.723  19.206  -6.638351      25.94093 
1 1 1 17  4  4  o 21.361   10.569  -28.5102   14.597  -49.8984   21.658  -10.7073   19.760  24.165  12.101  31.010  14.529  -6.844973      18.90800 
1 1 1 17  4  5  o 58.408   18.797  41.110     21.774  42.914     34.656  39.934     27.988  56.583  22.802  55.961  21.064  0.6224861      31.04240 
1 1 1 17  4  6  o 57.893   18.905  40.890     21.978  20.659     34.648  54.510     28.429  47.912  21.149  63.844  21.521  -15.93201      30.17371 
1 1 1 17  4  7  o 61.389   19.126  46.731     22.706  68.870     36.082  32.215     29.217  67.330  24.150  51.353  20.852  15.97691       31.90624 
1 1 1 17  4  8  o 29.915   13.556  -2.4538    15.270  0.4505     20.959  -5.7394    22.292  35.213  15.926  33.933  15.741  1.280434       22.39272 
1 1 1 17  4  9  o 66.723   18.466  54.528     22.243  65.306     33.049  45.602     30.075  65.985  23.169  56.904  21.736  9.080910       31.76900 
1 1 1 17  4  10 o 92.488   15.741  95.027     24.510  84.777     34.950  104.948    34.383  74.726  23.789  87.279  22.438  -12.55315      32.70164 
1 1 1 17  4  11 f 47.665   18.940  27.566     23.565  22.059     28.791  38.741     41.014  45.615  19.720  51.837  22.940  -6.222069      30.25060 
1 1 1 17  4  12 o 56.156   21.346  46.398     28.917  32.016     42.553  58.738     39.417  49.431  22.489  58.105  23.977  -8.673817      32.87316 
1 1 1 17  4  13 o 89.189   22.285  112.947    34.606  111.502    51.352  114.149    46.839  70.295  27.950  75.134  27.435  -4.838219      39.16501 
1 1 1 17  4  14 o 42.960   17.440  20.983     20.435  13.059     30.626  27.342     27.434  41.766  19.032  46.375  19.626  -4.608570      27.33843 
1 1 1 17  4  15 o 39.484   16.500  15.528     19.008  25.547     27.886  6.8323     25.979  45.185  19.471  38.148  17.439  7.036148       26.13892 
1 1 1 17  4  16 o 54.638   21.273  48.588     29.204  48.588     29.204  0.0000     0.0000  54.638  21.273  ?       ?       0.000000       21.27279 
1 1 1 17  4  17 o 41.179   17.678  19.082     22.823  19.082     22.823  0.0000     0.0000  41.179  17.678  ?       ?       0.000000       17.67781 
1 1 1 17  4  18 o 24.957   12.148  -18.4998   16.963  -18.4998   16.963  0.0000     0.0000  24.957  12.148  ?       ?       0.000000       12.14847 
1 1 1 17  4  19 o 32.042   14.768  0.8977     19.155  0.8977     19.155  0.0000     0.0000  32.042  14.768  ?       ?       0.000000       14.76795 
1 1 1 17  4  20 o 29.534   13.268  2.3415     14.263  1.0950     17.695  4.6533     24.098  31.067  14.272  35.019  16.286  -3.951622      21.65511 
1 1 1 17  4  21 o 51.046   17.576  38.117     18.974  8.8503     31.445  54.877     23.795  37.503  17.799  58.138  19.689  -20.63546      26.54133 
1 1 1 17  4  22 o 47.566   17.306  33.771     18.614  23.891     30.569  39.592     23.466  40.585  18.687  48.263  18.987  -7.678265      26.64063 
1 1 1 17  4  23 o 32.677   14.421  8.8495     16.100  -20.1214   23.030  36.540     22.515  27.650  13.603  46.310  18.478  -18.66041      22.94494 
1 1 1 17  4  24 o 26.068   12.292  -4.5052    14.552  -6.8800    20.096  -1.8871    21.100  28.693  13.783  30.476  14.498  -1.783701      20.00397 
1 1 1 17  5  0  o 54.498   16.899  33.959     17.751  34.832     25.320  33.116     24.892  53.375  20.046  52.437  19.835  0.9382515      28.20057 
1 1 1 17  5  1  o 46.120   17.711  22.907     20.034  15.088     31.712  28.099     25.844  45.340  20.112  49.522  19.785  -4.182594      28.21229 
1 1 1 17  5  2  o 40.636   16.517  14.648     18.356  -3.8307    30.557  25.081     22.960  39.138  18.248  47.502  18.752  -8.363869      26.16537 
1 1 1 17  5  3  o 24.574   11.717  -13.2096   13.950  -27.9578   21.271  -2.0790    18.479  27.460  13.418  32.628  14.835  -5.168301      20.00332 
1 1 1 17  5  4  o 73.155   16.450  60.762     20.503  42.462     31.384  74.388     27.080  55.255  21.888  76.629  20.019  -21.37445      29.66257 
1 1 1 17  5  5  o 51.303   18.850  32.732     22.162  -18.3732   34.718  67.875     28.790  37.218  17.938  70.286  21.477  -33.06813      27.98294 
1 1 1 17  5  6  o 60.737   19.910  49.048     24.369  3.3877     37.374  82.815     32.140  42.454  19.919  76.012  22.574  -33.55803      30.10569 
1 1 1 17  5  7  o 44.112   17.463  21.595     19.964  13.608     31.848  26.765     25.624  43.293  19.602  47.224  19.391  -3.930714      27.57250 
1 1 1 17  5  8  o 41.313   16.708  17.523     18.678  15.192     28.106  19.368     24.997  42.569  18.906  43.504  18.583  -0.9341240     26.51026 
1 1 1 17  5  9  o 89.024   16.210  91.374     24.269  91.569     31.138  91.071     38.735  80.590  21.662  71.985  25.094  8.605019       33.15022 
1 1 1 17  5  10 o 43.794   17.223  22.468     19.302  39.673     25.724  0.2989     29.200  52.655  20.105  37.831  17.704  14.82445       26.78888 
1 1 1 17  5  11 o 26.800   12.532  -6.8897    14.581  -12.0394   18.514  1.5217     23.661  28.376  13.521  35.611  16.413  -7.234818      21.26542 
1 1 1 17  5  12 o 62.035   17.875  50.136     20.419  52.537     25.250  45.598     34.712  59.508  20.281  51.787  22.004  7.721386       29.92542 
1 1 1 17  5  13 f 63.936   17.970  53.888     20.895  45.932     25.923  68.646     35.305  54.473  20.317  60.272  23.411  -5.798897      30.99771 
1 1 1 17  5  14 f 65.397   18.584  58.562     22.219  48.851     27.955  75.223     36.615  54.312  20.906  61.349  23.838  -7.036575      31.70614 
1 1 1 17  5  15 o 83.497   17.514  89.394     24.719  83.947     31.027  98.859     40.898  70.595  22.408  66.852  25.392  3.743919       33.86584 
1 1 1 17  5  16 o 29.076   13.344  -0.8598    15.416  16.541     19.373  -30.9048   25.456  38.592  16.419  28.055  13.894  10.53764       21.50906 
1 1 1 17  5  17 o 43.366   18.338  27.549     23.919  32.317     28.783  16.905     43.004  44.680  19.512  40.999  19.811  3.681416       27.80667 
1 1 1 17  5  18 o 20.449   10.221  -30.4017   15.128  -36.2466   15.949  22.025     47.765  20.180  10.144  41.345  20.183  -21.16548      22.58853 
1 1 1 17  5  19 o 40.177   17.039  22.360     20.750  21.238     22.545  28.573     53.057  39.617  17.286  41.496  20.459  -1.878498      26.78406 
1 1 1 17  5  20 f 43.805   18.084  31.640     22.437  23.025     25.430  61.914     47.672  39.694  17.782  45.948  21.838  -6.254845      28.16231 
1 1 1 17  6  0  o 68.447   21.230  65.121     28.012  81.974     43.699  53.365     36.497  66.369  25.971  57.714  23.350  8.655613       34.92470 
1 1 1 17  6  1  o 31.157   14.067  -0.5265    16.268  -18.2103   23.414  15.978     22.619  30.767  14.804  41.669  17.735  -10.90269      23.10225 
1 1 1 17  6  2  o 50.867   19.757  34.598     25.144  1.4830     37.492  61.666     33.896  41.423  19.594  61.576  23.180  -20.15281      30.35161 
1 1 1 17  6  3  o 48.508   19.772  30.847     26.398  8.3801     37.363  53.239     37.302  42.630  19.974  56.065  23.245  -13.43411      30.64806 
1 1 1 17  6  4  o 44.581   19.162  22.582     26.877  31.612     39.768  14.990     36.465  48.349  21.896  43.703  20.224  4.646080       29.80687 
1 1 1 17  6  5  o 44.159   17.889  23.231     21.450  29.935     36.338  19.645     26.574  47.368  21.235  43.081  18.783  4.287067       28.35024 
1 1 1 17  6  6  o 28.700   13.686  -12.1780   19.049  -20.8123   34.115  -8.2663    22.962  35.025  17.088  32.321  15.302  2.704205       22.93809 
1 1 1 17  6  7  o 31.481   14.925  -8.6801    21.997  -29.1859   34.783  4.9861     28.396  33.742  16.623  38.154  17.723  -4.411469      24.29817 
1 1 1 17  6  8  o 49.401   20.175  37.235     27.548  18.611     38.047  57.757     39.939  43.240  20.227  53.882  23.260  -10.64161      30.82463 
1 1 1 17  6  9  o 27.964   12.907  -3.2301    14.711  0.5124     16.189  -20.9633   35.239  30.561  13.891  34.667  17.009  -4.105844      21.96072 
1 1 1 17  6  10 o 58.543   16.768  44.340     18.017  41.508     22.949  48.890     29.088  52.508  19.199  53.267  21.081  -0.7591095     28.51351 
1 1 1 17  6  11 o 30.785   13.979  1.6456     16.343  -8.3783    21.523  15.294     25.115  30.549  14.563  39.217  17.613  -8.668715      22.85343 
1 1 1 17  6  12 o 38.948   16.337  17.707     18.738  4.9978     24.523  35.540     29.049  35.390  16.449  46.232  19.898  -10.84226      25.81632 
1 1 1 17  6  13 o 34.437   15.315  8.9763     18.499  8.4928     23.039  9.8535     31.035  35.696  16.357  37.939  17.909  -2.242867      24.25447 
1 1 1 17  6  14 f 77.185   17.043  78.834     22.356  85.355     28.605  68.601     35.834  71.307  21.324  54.545  22.713  16.76182       31.15399 
1 1 1 17  7  0  o 33.980   15.097  5.5939     17.936  -14.1565   26.787  21.644     24.147  32.661  15.746  42.792  18.272  -10.13174      24.12020 
1 1 1 17  7  1  o 37.466   16.228  12.196     19.575  -2.8647    30.054  23.292     25.797  36.380  17.305  43.341  18.702  -6.961220      25.47962 
1 1 1 17  7  2  o 41.921   17.079  21.374     19.682  33.867     24.423  -1.7692    33.242  48.015  19.215  37.418  17.909  10.59682       26.26656 
1 1 1 17  7  3  o 48.988   18.013  33.689     20.242  29.108     24.592  43.314     35.642  45.308  18.837  49.047  21.558  -3.739498      28.62832 
1 1 1 18  0  0  f 14.220   9.9441  -8.6368    9.1529  -8.6368    9.1529  -8.6368    9.1529  14.220  9.9441  14.220  9.9441  0.000000       0.000000 
1 1 1 18  0  1  o 15.771   10.741  -4.6792    9.0843  -4.6792    9.0843  -4.6792    9.0843  15.771  10.741  15.771  10.741  0.000000       0.000000 
1 1 1 18  0  2  o 16.970   12.098  -21.1454   15.856  -21.1454   15.856  -21.1454   15.856  16.970  12.098  16.970  12.098  0.000000       0.000000 
1 1 1 18  0  3  o 25.345   16.716  -1.1259    19.016  -1.1259    19.016  -1.1259    19.016  25.345  16.716  25.345  16.716  0.000000       0.000000 
1 1 1 18  0  4  o 21.079   14.401  -8.1747    16.605  -8.1747    16.605  -8.1747    16.605  21.079  14.401  21.079  14.401  0.000000       0.000000 
1 1 1 18  0  5  o 46.509   25.268  33.772     28.917  33.772     28.917  33.772     28.917  46.509  25.268  46.509  25.268  0.000000       0.000000 
1 1 1 18  0  6  o 27.146   17.648  1.8137     20.095  1.8137     20.095  1.8137     20.095  27.146  17.648  27.146  17.648  0.000000       0.000000 
1 1 1 18  0  7  o 44.261   24.678  30.271     28.376  30.271     28.376  30.271     28.376  44.261  24.678  44.261  24.678  0.000000       0.000000 
1 1 1 18  0  8  o 61.342   20.394  45.573     19.447  45.573     19.447  45.573     19.447  61.342  20.394  61.342  20.394  0.000000       0.000000 
1 1 1 18  0  9  o 51.460   20.621  35.011     17.994  35.011     17.994  35.011     17.994  51.460  20.621  51.460  20.621  0.000000       0.000000 
1 1 1 18  0  10 o 40.914   20.082  24.224     17.062  24.224     17.062  24.224     17.062  40.914  20.082  40.914  20.082  0.000000       0.000000 
1 1 1 18  0  11 o 9.5856   6.9594  -13.2642   6.4511  -13.2642   6.4511  -13.2642   6.4511  9.5856  6.9594  9.5856  6.9594  0.000000       0.000000 
1 1 1 18  0  12 o 40.235   19.093  23.000     15.259  23.000     15.259  23.000     15.259  40.235  19.093  40.235  19.093  0.000000       0.000000 
1 1 1 18  0  13 o 57.619   21.456  42.980     20.085  42.980     20.085  42.980     20.085  57.619  21.456  57.619  21.456  0.000000       0.000000 
1 1 1 18  0  14 o 23.068   14.967  1.1213     14.357  1.1213     14.357  1.1213     14.357  23.068  14.967  23.068  14.967  0.000000       0.000000 
1 1 1 18  0  15 f 47.417   21.634  32.525     19.467  32.525     19.467  32.525     19.467  47.417  21.634  47.417  21.634  0.000000       0.000000 
1 1 1 18  0  16 o 49.448   22.021  35.202     20.150  35.202     20.150  35.202     20.150  49.448  22.021  49.448  22.021  0.000000       0.000000 
1 1 1 18  0  17 o 33.811   19.239  16.367     17.710  16.367     17.710  16.367     17.710  33.811  19.239  33.811  19.239  0.000000       0.000000 
1 1 1 18  0  18 o 13.504   9.6920  -16.8275   10.888  -16.8275   10.888  -16.8275   10.888  13.504  9.6920  13.504  9.6920  0.000000       0.000000 
1 1 1 18  1  0  o 63.571   17.072  47.285     19.350  0.0000     0.0000  47.285     19.350  ?       ?       63.571  17.072  0.000000       17.07181 
1 1 1 18  1  1  o 40.609   15.510  16.667     15.311  0.0000     0.0000  16.667     15.311  ?       ?       40.609  15.510  0.000000       15.50975 
1 1 1 18  1  2  o 40.790   14.982  17.409     13.998  0.0000     0.0000  17.409     13.998  ?       ?       40.790  14.982  0.000000       14.98218 
1 1 1 18  1  3  o 46.909   13.566  23.915     11.743  13.130     17.259  33.210     16.023  38.649  15.897  53.429  15.955  -14.78012      22.52301 
1 1 1 18  1  4  o 25.471   10.869  2.0306     8.5340  -0.0711    12.565  3.8300     11.627  28.274  12.595  29.670  12.674  -1.396202      17.86759 
1 1 1 18  1  5  o 28.221   12.103  2.9780     10.681  5.3563     12.374  -3.9719    21.152  31.117  13.175  33.034  15.328  -1.917109      20.21213 
1 1 1 18  1  6  o 28.857   12.329  3.6454     11.006  4.1178     12.893  2.3762     21.132  30.652  13.224  35.032  15.903  -4.380476      20.68306 
1 1 1 18  1  7  o 52.481   17.619  35.349     19.052  33.974     24.649  37.389     30.029  49.717  19.492  50.424  20.877  -0.7071495     28.56180 
1 1 1 18  1  8  o 26.585   11.722  0.8249     10.615  11.841     12.346  -30.4181   20.791  35.212  13.797  25.838  12.752  9.374174       18.78790 
1 1 1 18  1  9  o 34.130   13.414  10.934     11.702  7.1675     13.615  21.585     22.893  32.523  13.798  42.838  18.018  -10.31424      22.69424 
1 1 1 18  1  10 o 37.168   13.842  14.803     12.024  17.250     13.839  7.2637     24.290  39.266  14.805  37.159  16.939  2.107090       22.49700 
1 1 1 18  1  11 o 60.260   14.671  42.606     15.291  57.774     19.708  19.660     24.239  67.839  16.740  41.390  17.993  26.44827       24.57642 
1 1 1 18  1  12 o 29.716   12.119  6.9388     9.9224  -1.2654    11.797  26.779     18.345  26.182  11.885  44.913  17.019  -18.73109      20.75792 
1 1 1 18  1  13 o 26.994   11.514  3.7620     9.5698  -0.6010    11.320  14.688     17.914  25.959  11.726  37.431  15.851  -11.47201      19.71694 
1 1 1 18  1  14 o 48.171   14.152  28.074     12.689  14.496     16.181  49.763     20.451  36.684  15.268  58.952  18.116  -22.26802      23.69154 
1 1 1 18  1  15 o 33.331   13.142  11.473     11.264  6.8025     13.810  20.755     19.470  31.298  13.594  39.996  16.706  -8.698158      21.53771 
1 1 1 18  1  16 o 17.326   8.3687  -9.3623    7.6535  -16.7187   8.8157  13.150     15.422  16.533  8.1861  35.145  14.785  -18.61129      16.90035 
1 1 1 18  1  17 o 17.870   8.6471  -10.0433   8.2639  -10.4136   8.5196  -4.1498    33.989  18.080  8.7560  34.587  16.914  -16.50776      19.04614 
1 1 1 18  1  18 o 33.255   14.227  11.233     14.692  7.3292     16.316  27.968     33.782  31.835  14.254  40.331  18.928  -8.496534      23.69435 
1 1 1 18  2  0  o 91.946   11.702  85.224     18.361  79.089     25.541  91.785     26.414  80.812  18.500  88.371  17.735  -7.558411      25.62770 
1 1 1 18  2  1  o 88.116   11.996  79.099     17.977  72.281     23.889  88.003     27.298  77.473  18.003  84.490  18.969  -7.017120      26.15168 
1 1 1 18  2  2  o 33.033   13.310  8.5520     11.806  18.979     14.585  -11.2675   20.107  41.833  15.304  30.269  14.327  11.56391       20.96357 
1 1 1 18  2  3  o 38.955   14.135  15.863     12.404  17.825     15.788  12.699     20.051  40.949  15.723  39.146  16.681  1.803581       22.92310 
1 1 1 18  2  4  o 35.222   13.567  11.698     11.779  -3.2161    14.599  39.517     19.939  28.484  13.041  55.566  17.998  -27.08181      22.22600 
1 1 1 18  2  5  o 57.966   16.285  40.429     17.163  26.183     25.835  51.684     22.963  45.969  19.226  61.925  19.224  -15.95515      27.18821 
1 1 1 18  2  6  o 26.552   11.471  2.1032     9.7290  0.9199     11.707  4.7455     17.493  27.716  12.261  33.751  14.956  -6.035120      19.33958 
1 1 1 18  2  7  f 36.501   13.329  13.886     11.055  8.9070     13.493  24.055     19.283  33.617  13.963  44.269  17.272  -10.65183      22.20979 
1 1 1 18  2  8  o 53.872   15.263  34.695     15.012  27.283     17.657  54.025     28.515  46.367  16.858  57.797  21.357  -11.43000      27.20879 
1 1 1 18  2  9  o 35.345   13.695  12.618     12.059  6.2238     13.961  31.404     23.930  31.968  13.776  47.094  18.959  -15.12563      23.43536 
1 1 1 18  2  10 o 35.856   13.700  13.514     11.950  11.168     13.722  20.883     24.318  34.660  14.206  41.788  18.094  -7.128136      23.00456 
1 1 1 18  2  11 o 43.167   14.693  22.536     13.253  19.626     15.424  30.744     25.904  40.421  15.536  45.522  19.157  -5.100803      24.66522 
1 1 1 18  2  12 o 24.283   11.280  -4.4840    11.507  -5.1367    12.194  0.8247     34.776  24.681  11.514  37.386  18.003  -12.70486      21.36996 
1 1 1 18  2  13 f 25.821   11.921  -2.9369    12.561  -9.3187    13.440  41.117     35.312  24.187  11.524  46.506  20.885  -22.31913      23.85375 
1 1 1 18  2  14 o 30.645   13.263  6.3907     13.051  4.7467     13.969  17.681     36.607  30.273  13.393  40.014  19.052  -9.741505      23.28829 
1 1 1 18  2  15 o 35.919   14.448  14.831     13.884  9.5721     15.307  39.235     32.975  33.119  14.348  44.892  20.170  -11.77264      24.75252 
1 1 1 18  2  16 o 30.939   14.494  0.3772     19.657  15.134     23.464  -34.3475   35.995  36.927  16.762  30.997  15.533  5.930437       22.85246 
1 1 1 18  3  0  o 50.118   15.487  29.157     14.923  20.489     20.953  38.079     21.258  43.331  17.634  54.142  18.606  -10.81106      25.63460 
1 1 1 18  3  1  o 40.901   14.330  18.237     12.638  12.964     17.862  23.524     17.885  38.343  16.007  44.786  16.842  -6.443340      23.23511 
1 1 1 18  3  2  o 51.963   15.415  31.678     14.993  36.339     19.927  25.597     22.762  52.993  18.017  45.704  18.458  7.288689       25.79383 
1 1 1 18  3  3  o 47.249   15.159  26.139     14.170  30.655     17.995  18.770     22.987  49.396  17.110  42.126  17.903  7.269558       24.76462 
1 1 1 18  3  4  o 25.075   11.095  0.0644     9.5930  -1.2752    11.192  3.7739     18.625  25.995  11.708  33.855  15.188  -7.859934      19.17749 
1 1 1 18  3  5  o 52.343   14.536  31.816     13.759  30.321     17.091  34.568     23.191  48.985  16.686  49.617  19.055  -0.6317825     25.32829 
1 1 1 18  3  6  o 44.185   14.541  22.868     12.994  21.068     15.389  27.336     24.249  42.157  15.668  45.278  18.755  -3.121357      24.43807 
1 1 1 18  3  7  o 41.962   13.982  20.321     12.000  9.6696     13.914  51.240     23.706  33.908  14.139  58.854  19.653  -24.94590      24.21098 
1 1 1 18  3  8  o 59.074   17.519  46.638     19.368  46.404     22.018  47.436     40.720  56.459  18.941  49.333  22.266  7.125118       29.23224 
1 1 1 18  3  9  o 30.498   13.298  4.9123     13.325  -0.0850    14.410  34.383     34.994  28.798  13.096  45.776  20.653  -16.97811      24.45507 
1 1 1 18  3  10 o 37.955   15.470  16.321     16.157  16.321     16.157  0.0000     0.0000  37.955  15.470  ?       ?       0.000000       15.46962 
1 1 1 18  3  11 o 31.539   15.067  -6.4907    23.296  -6.4907    23.296  0.0000     0.0000  31.539  15.067  ?       ?       0.000000       15.06664 
1 1 1 18  3  12 o 40.869   18.094  23.019     25.545  23.019     25.545  0.0000     0.0000  40.869  18.094  ?       ?       0.000000       18.09394 
1 1 1 18  3  13 o 37.676   17.164  15.354     24.892  15.354     24.892  0.0000     0.0000  37.676  17.164  ?       ?       0.000000       17.16395 
1 1 1 18  4  0  o 43.175   16.617  22.117     17.662  0.7811     34.669  29.595     20.525  39.305  18.664  47.603  18.010  -8.298004      25.93687 
1 1 1 18  4  1  o 36.715   15.801  10.872     18.320  -11.3542   32.328  21.386     22.234  35.807  17.271  42.715  17.848  -6.908043      24.83620 
1 1 1 18  4  2  o 42.385   17.925  21.119     22.857  3.1425     30.230  45.114     34.926  38.030  17.866  51.058  21.892  -13.02800      28.25716 
1 1 1 18  4  3  o 32.721   14.300  6.0464     15.483  2.6118     17.381  19.242     34.068  32.230  14.547  42.672  19.677  -10.44146      24.47017 
1 1 1 18  4  4  o 46.365   17.856  29.402     20.402  18.546     23.975  57.904     38.848  40.829  17.820  53.235  22.960  -12.40603      29.06401 
1 1 1 18  4  5  o 35.678   15.730  9.6746     19.111  11.999     22.312  3.2737     37.029  37.620  16.768  38.897  18.691  -1.276176      25.11071 
1 1 1 18  4  6  o 89.758   18.159  106.310    27.482  89.324     32.849  145.930    50.169  70.567  23.115  74.580  28.172  -4.012733      36.44159 
1 1 1 18  4  7  f 86.287   18.535  101.112    27.092  64.834     33.322  171.862    46.534  56.578  22.509  90.876  27.202  -34.29730      35.30781 
1 1 1 18  4  8  o 87.380   20.244  112.826    30.281  68.270     37.230  199.911    52.048  54.622  22.976  91.412  29.024  -36.79041      37.01703 
# 
#END OF REFLECTIONS
