single point energy calculation
 &qmmm
  qm_theory = 'PM3',
  qmcharge = 0,
  maxcyc = 0,
  qmmm_int = 1,
 /
 6    C 24.732	18.085	19.560
 6    C 25.042	19.385	20.186
 6    C 26.149	19.671	20.974
 6    C 26.436	21.004	21.453
 6    C 25.507	21.965	21.303
 6    C 24.320	21.698	20.659
 6    C 24.108	20.462	20.088
 1    H 26.852	18.847	21.372
 1    H 27.323	21.237	22.021
 1    H 25.650	23.033	21.585
 1    H 23.442	22.379	20.731
 1    H 23.169	20.306	19.522
 6    C 25.625	17.142	19.061
 6    C 27.025	17.551	18.890
 6    C 27.894	16.726	18.208
 6    C 27.524	15.493	17.690
 6    C 26.208	15.122	17.827
 6    C 25.305	15.934	18.464
 1    H 24.283	15.602	18.599
 1    H 27.406	18.542	19.219
 1    H 28.983	16.988	18.312
 1    H 28.312	14.814	17.225
 1    H 25.876	14.070	17.498
 6    C 22.412	17.715	18.576
 6    C 21.055	17.414	18.783
 6    C 20.604	17.116	20.068
 6    C 21.548	17.051	21.139
 6    C 22.893	17.416	21.011
 6    C 23.294	17.676	19.662
 1    H 21.138	16.733	22.053
 1    H 23.613	17.361	21.817
 1    H 20.364	17.433	17.917
 1    H 22.871	18.013	17.572
 7    N 24.686	19.339	16.800
 7    N 25.548	20.051	16.447
 7    N 26.403	20.778	16.120
 1    H 19.513	16.927	20.232
#EXCHARGES
6    C 32.171  29.143   8.566 -0.5503
6    C 33.584  29.395   8.316  0.4917
1    H 31.834  28.678   7.608  0.1904
1    H 31.625  30.081   8.617  0.1904
1    H 32.017  28.412   9.402  0.1904
7    N 34.662  29.649   8.121 -0.5126
6    C 17.896   1.830   8.518 -0.5503
6    C 17.344   1.490   7.214  0.4917
1    H 18.980   1.661   8.456  0.1904
1    H 17.465   1.206   9.276  0.1904
1    H 17.530   2.814   8.586  0.1904
7    N 16.967   1.191   6.114 -0.5126
6    C 10.901  21.050  12.552 -0.5503
6    C 11.247  21.746  11.393  0.4917
1    H 10.486  20.077  12.286  0.1904
1    H 10.237  21.677  13.126  0.1904
1    H 11.840  20.926  13.071  0.1904
7    N 11.539  22.301  10.464 -0.5126
6    C 10.787   5.286  38.809 -0.5503
6    C 10.493   4.201  39.740  0.4917
1    H 11.001   4.729  37.851  0.1904
1    H 11.729   5.700  39.297  0.1904
1    H  9.917   6.041  38.787  0.1904
7    N 10.165   3.357  40.420 -0.5126
6    C 32.464  24.393  33.554 -0.5503
6    C 33.482  24.916  32.695  0.4917
1    H 32.393  24.802  34.463  0.1904
1    H 32.733  23.364  33.743  0.1904
1    H 31.549  24.352  32.937  0.1904
7    N 34.228  25.435  32.007 -0.5126
6    C 25.201  32.866  33.286 -0.5503
6    C 24.181  33.908  33.379  0.4917
1    H 26.175  33.258  33.106  0.1904
1    H 24.981  32.061  32.515  0.1904
1    H 25.298  32.382  34.257  0.1904
7    N 23.477  34.785  33.427 -0.5126
6    C 38.278   5.226  36.458 -0.5503
6    C 38.239   5.650  37.859  0.4917
1    H 38.162   6.131  35.800  0.1904
1    H 37.389   4.548  36.311  0.1904
1    H 39.282   4.782  36.299  0.1904
7    N 38.224   5.843  39.042 -0.5126
6    C  9.824  32.503  40.741 -0.5503
6    C  8.773  32.784  41.701  0.4917
1    H  9.710  31.497  40.274  0.1904
1    H 10.768  32.588  41.292  0.1904
1    H  9.719  33.188  39.942  0.1904
7    N  7.898  32.978  42.425 -0.5126
6    C  8.185  15.291   7.475 -0.5503
6    C  9.423  14.730   8.055  0.4917
1    H  7.597  15.568   8.318  0.1904
1    H  7.760  14.538   6.856  0.1904
1    H  8.369  16.188   6.831  0.1904
7    N 10.356  14.239   8.519 -0.5126
6    C  8.844  27.459  39.232 -0.5503
6    C  9.277  27.205  37.897  0.4917
1    H  8.109  26.720  39.566  0.1904
1    H  8.228  28.372  39.158  0.1904
1    H  9.752  27.534  39.826  0.1904
7    N  9.687  26.926  36.853 -0.5126
6    C 13.931  13.961  23.883 -0.5503
6    C 13.391  14.611  25.040  0.4917
1    H 14.846  13.462  24.246  0.1904
1    H 14.210  14.696  23.099  0.1904
1    H 13.400  13.110  23.447  0.1904
7    N 12.969  15.160  25.958 -0.5126
6    C 41.048   3.289  39.933 -0.5503
6    C 41.753   4.441  39.350  0.4917
1    H 40.438   3.630  40.738  0.1904
1    H 41.869   2.643  40.377  0.1904
1    H 40.474   2.658  39.234  0.1904
7    N 42.362   5.311  38.917 -0.5126
6    C 19.313  26.971  41.480 -0.5503
6    C 19.413  25.792  40.745  0.4917
1    H 18.307  27.101  41.884  0.1904
1    H 19.508  27.834  40.910  0.1904
1    H 19.983  26.982  42.331  0.1904
7    N 19.512  24.952  39.973 -0.5126
6    C 13.892   6.534  13.284 -0.5503
6    C 12.585   7.026  13.735  0.4917
1    H 14.104   6.936  12.206  0.1904
1    H 13.792   5.387  13.254  0.1904 
1    H 14.555   6.837  14.066  0.1904
7    N 11.630   7.532  14.156 -0.5126
6    C  7.375   8.435   5.860 -0.5503
6    C  7.000   9.696   5.251  0.4917
1    H  7.078   8.369   6.903  0.1904
1    H  8.493   8.510   5.709  0.1904
1    H  6.937   7.624   5.207  0.1904
7    N  6.718  10.752   4.848 -0.5126
6    C 36.825  33.980   2.995 -0.5503
6    C 35.766  33.951   1.948  0.4917
1    H 37.235  35.034   3.136  0.1904
1    H 37.448  33.108   2.879  0.1904
1    H 36.324  33.715   3.911  0.1904
7    N 34.992  33.823   1.105 -0.5126
6    C 18.595  15.924   3.229 -0.5503
6    C 17.693  15.592   4.325  0.4917
1    H 18.240  16.856   2.672  0.1904
1    H 18.760  15.085   2.553  0.1904
1    H 19.508  16.030   3.862  0.1904
7    N 17.029  15.335   5.198 -0.5126
6    C 33.166  30.545  25.321 -0.5503
6    C 32.402  29.366  25.769  0.4917
1    H 33.211  30.288  24.242  0.1904
1    H 34.168  30.709  25.690  0.1904
1    H 32.467  31.357  25.457  0.1904
7    N 31.772  28.441  26.105 -0.5126
6    C 40.574  35.731  12.303 -0.5503
6    C 41.015  35.286  13.611  0.4917
1    H 41.441  35.817  11.675  0.1904
1    H 39.930  36.648  12.332  0.1904
1    H 40.045  34.919  11.833  0.1904
7    N 41.269  34.905  14.714 -0.5126
6    C  3.276  19.515   5.535 -0.5503
6    C  3.246  20.901   6.002  0.4917
1    H  2.369  19.076   5.436  0.1904
1    H  3.934  18.895   6.224  0.1904
1    H  3.729  19.411   4.563  0.1904
7    N  3.239  22.000   6.297 -0.5126
6    C 28.377  40.208  26.339 -0.5503
6    C 27.312  39.614  27.134  0.4917
1    H 27.927  40.705  25.504  0.1904
1    H 28.958  39.370  25.961  0.1904
1    H 29.083  40.763  26.939  0.1904
7    N 26.472  39.245  27.833 -0.5126
6    C  1.696  12.360  29.885 -0.5503
6    C  1.798  10.900  29.880  0.4917
1    H  2.593  12.745  30.392  0.1904
1    H  0.789  12.783  30.414  0.1904
1    H  1.812  12.816  28.956  0.1904
7    N  1.876   9.759  29.922 -0.5126
6    C 16.656   1.532  40.356 -0.5503
6    C 17.943   1.541  41.014  0.4917
1    H 15.912   1.399  41.101  0.1904
1    H 16.692   0.730  39.641  0.1904
1    H 16.556   2.540  39.790  0.1904
7    N 18.853   1.420  41.599 -0.5126
6    C 29.601   1.290  27.267 -0.5503
6    C 30.996   1.547  27.404  0.4917
1    H 29.106   2.036  26.660  0.1904
1    H 29.228   1.160  28.239  0.1904
1    H 29.642   0.288  26.784  0.1904
7    N 32.144   1.818  27.461 -0.5126
6    C 24.628   3.237  11.427 -0.5503
6    C 24.058   3.458  12.773  0.4917
1    H 25.023   4.103  10.900  0.1904
1    H 23.794   2.836  10.802  0.1904
1    H 25.286   2.396  11.470  0.1904
7    N 23.638   3.636  13.826 -0.5126
6    C  5.966  23.741  35.985 -0.5503
6    C  7.074  22.990  36.527  0.4917
1    H  5.080  23.117  36.055  0.1904
1    H  6.141  24.054  34.956  0.1904
1    H  5.809  24.597  36.649  0.1904
7    N  7.966  22.366  36.971 -0.5126
6    C  8.188  37.232  34.909 -0.5503
6    C  7.158  36.950  35.841  0.4917
1    H  8.438  36.462  34.242  0.1904
1    H  9.052  37.340  35.633  0.1904
1    H  7.894  38.193  34.393  0.1904
7    N  6.352  36.815  36.601 -0.5126
6    C 30.826  36.742  33.560 -0.5503
6    C 29.739  35.774  33.744  0.4917
1    H 31.420  36.723  34.513  0.1904
1    H 30.292  37.745  33.357  0.1904
1    H 31.482  36.415  32.763  0.1904
7    N 28.911  35.014  33.927 -0.5126
6    C  9.313  11.701  34.643 -0.5503
6    C  8.439  10.897  33.852  0.4917
1    H  8.924  11.667  35.618  0.1904
1    H  9.237  12.719  34.275  0.1904
1    H 10.366  11.318  34.701  0.1904
7    N  7.735  10.361  33.091 -0.5126
6    C 16.424  16.807  14.633 -0.5503
6    C 15.910  16.882  15.997  0.4917
1    H 16.660  17.788  14.260  0.1904
1    H 15.682  16.384  13.974  0.1904
1    H 17.290  16.157  14.639  0.1904
7    N 15.546  16.777  17.103 -0.5126
6    C 17.487   7.137  38.214 -0.5503
6    C 17.965   7.297  36.893  0.4917
1    H 17.725   8.042  38.785  0.1904
1    H 18.072   6.293  38.626  0.1904
1    H 16.403   7.045  38.174  0.1904
7    N 18.322   7.432  35.754 -0.5126
6    C 21.372  31.715  34.230 -0.5503
6    C 22.339  30.786  34.650  0.4917
1    H 21.574  32.751  34.613  0.1904
1    H 20.360  31.418  34.496  0.1904
1    H 21.486  31.749  33.190  0.1904
7    N 23.065  29.951  34.960 -0.5126
6    C 40.680   8.393  39.454 -0.5503
6    C 40.778   8.535  38.014  0.4917
1    H 39.699   8.059  39.753  0.1904
1    H 40.854   9.422  39.928  0.1904
1    H 41.412   7.697  39.854  0.1904
7    N 40.728   8.682  36.840 -0.5126
6    C 16.835  15.634  20.390 -0.5503
6    C 15.877  16.421  21.124  0.4917
1    H 17.713  16.240  20.049  0.1904
1    H 16.341  15.312  19.471  0.1904
1    H 17.008  14.725  20.898  0.1904
7    N 15.294  17.192  21.735 -0.5126
6    C 19.126  40.746  20.353 -0.5503
6    C 18.764  40.332  18.990  0.4917
1    H 20.158  40.975  20.392  0.1904
1    H 18.760  39.903  20.922  0.1904
1    H 18.441  41.567  20.694  0.1904
7    N 18.423  39.865  17.986 -0.5126
6    C 13.822  28.014  33.147 -0.5503
6    C 14.458  28.998  32.337  0.4917
1    H 12.937  28.462  33.469  0.1904
1    H 14.489  27.614  33.879  0.1904
1    H 13.757  27.228  32.388  0.1904
7    N 15.009  29.742  31.641 -0.5126
6    C 20.353  20.791  38.182 -0.5503
6    C 19.778  19.752  37.324  0.4917
1    H 19.655  21.689  38.167  0.1904
1    H 21.381  21.099  37.853  0.1904
1    H 20.517  20.386  39.154  0.1904
7    N 19.217  18.978  36.590 -0.5126
6    C 20.843  32.623  43.016 -0.5503
6    C 21.058  31.230  42.597  0.4917
1    H 21.739  33.288  42.784  0.1904
1    H 20.442  32.808  44.011  0.1904
1    H 20.007  32.860  42.364  0.1904
7    N 21.276  30.119  42.220 -0.5126
6    C  8.504  40.507  38.689 -0.5503
6    C  7.677  40.575  39.940  0.4917
1    H  8.574  41.563  38.299  0.1904
1    H  7.994  39.841  37.991  0.1904
1    H  9.472  40.108  38.981  0.1904
7    N  6.983  40.650  40.837 -0.5126
6    C 25.542  24.536   1.754 -0.5503
6    C 24.406  23.585   1.804  0.4917
1    H 25.217  25.455   2.142  0.1904
1    H 26.010  24.716   0.850  0.1904
1    H 26.347  24.232   2.403  0.1904
7    N 23.537  22.797   1.776 -0.5126
6    C  3.685   5.453  34.911 -0.5503
6    C  2.718   6.216  35.694  0.4917
1    H  4.081   4.527  35.385  0.1904
1    H  4.379   6.159  34.456  0.1904
1    H  3.143   5.143  34.003  0.1904
7    N  1.946   6.914  36.285 -0.5126
6    C 23.874   8.693  37.764 -0.5503
6    C 22.544   8.363  38.106  0.4917
1    H 24.285   7.843  37.291  0.1904
1    H 24.381   8.937  38.681  0.1904
1    H 23.888   9.451  37.016  0.1904
7    N 21.476   8.109  38.408 -0.5126
6    C 36.375  30.070   3.659 -0.5503
6    C 34.931  30.009   3.529  0.4917
1    H 36.872  30.927   4.049  0.1904
1    H 36.689  29.780   2.684  0.1904
1    H 36.543  29.198   4.357  0.1904
7    N 33.778  29.975   3.523 -0.5126
6    C 24.722  23.551  38.538 -0.5503
6    C 24.102  24.471  39.459  0.4917
1    H 25.786  23.768  38.685  0.1904
1    H 24.408  23.821  37.541  0.1904
1    H 24.424  22.522  38.755  0.1904
7    N 23.496  25.227  40.105 -0.5126
6    C  2.732   1.394  26.912 -0.5503
6    C  1.950   2.222  26.084  0.4917
1    H  2.362   0.427  26.597  0.1904
1    H  2.430   1.678  27.915  0.1904
1    H  3.797   1.401  26.820  0.1904
7    N  1.361   2.902  25.364 -0.5126
6    C 32.186  17.278  24.650 -0.5503
6    C 33.322  17.713  23.844  0.4917
1    H 31.816  18.164  25.228  0.1904
1    H 32.536  16.478  25.263  0.1904
1    H 31.405  16.873  23.960  0.1904
7    N 34.192  18.085  23.226 -0.5126
6    C  2.746  22.218  29.149 -0.5503
6    C  2.632  23.620  29.194  0.4917
1    H  3.425  22.000  29.944  0.1904
1    H  3.112  21.869  28.177  0.1904
1    H  1.782  21.757  29.440  0.1904
7    N  2.504  24.747  29.061 -0.5126
6    C  2.705   7.181   8.292 -0.5503
6    C  1.939   6.813   9.414  0.4917
1    H  2.354   6.704   7.366  0.1904
1    H  3.765   6.830   8.587  0.1904
1    H  2.672   8.270   8.269  0.1904
7    N  1.256   6.465  10.282 -0.5126
6    C 21.671  24.911  22.223 -0.5503
6    C 21.349  23.525  22.388  0.4917
1    H 21.834  25.229  21.160  0.1904
1    H 22.511  25.151  22.828  0.1904
1    H 20.813  25.480  22.531  0.1904
7    N 21.038  22.420  22.545 -0.5126
6    C 34.945  39.220   3.955 -0.5503
6    C 36.396  39.258   3.660  0.4917
1    H 34.645  39.953   4.695  0.1904
1    H 34.809  38.268   4.429  0.1904
1    H 34.405  39.289   3.021  0.1904
7    N 37.562  39.285   3.464 -0.5126
6    C 25.958  13.661  13.334 -0.5503
6    C 26.644  12.802  14.183  0.4917
1    H 26.640  14.416  13.026  0.1904
1    H 25.156  14.132  13.833  0.1904
1    H 25.570  13.118  12.432  0.1904
7    N 27.209  12.069  14.868 -0.5126
6    C 41.416  10.333  31.344 -0.5503
6    C 40.144  10.874  31.543  0.4917
1    H 41.736  10.857  30.415  0.1904
1    H 41.371   9.240  31.098  0.1904
1    H 42.007  10.552  32.223  0.1904
7    N 39.122  11.298  31.773 -0.5126
6    C 10.467  20.059   0.446 -0.5503
6    C 11.645  20.396  -0.322  0.4917
1    H 10.339  20.839   1.089  0.1904
1    H 10.417  19.091   0.936  0.1904
1    H  9.732  20.172  -0.355  0.1904
7    N 12.554  20.676  -0.941 -0.5126
6    C 16.708  35.276   4.863 -0.5503
6    C 15.575  35.902   4.182  0.4917
1    H 17.477  36.021   4.864  0.1904
1    H 16.934  34.357   4.238  0.1904
1    H 16.571  35.006   5.944  0.1904
7    N 14.682  36.354   3.593 -0.5126
6    C 35.135   4.114  20.958 -0.5503
6    C 35.451   4.649  22.238  0.4917
1    H 34.144   3.739  20.964  0.1904
1    H 35.885   3.452  20.679  0.1904
1    H 35.175   5.032  20.347  0.1904
7    N 35.627   5.173  23.247 -0.5126
6    C 34.665   6.413  40.166 -0.5503
6    C 33.815   5.930  41.254  0.4917
1    H 35.229   5.553  39.816  0.1904
1    H 35.317   7.189  40.469  0.1904
1    H 33.921   6.811  39.532  0.1904
7    N 33.131   5.630  42.137 -0.5126
6    C 22.888  23.150  16.810 -0.5503
6    C 22.446  24.460  16.321  0.4917
1    H 23.914  23.014  16.854  0.1904
1    H 22.391  22.400  16.217  0.1904
1    H 22.519  23.133  17.830  0.1904
7    N 22.188  25.461  15.870 -0.5126
6    C 21.672  33.017  39.189 -0.5503
6    C 22.524  33.608  38.194  0.4917
1    H 21.805  33.351  40.209  0.1904
1    H 21.553  32.003  38.970  0.1904
1    H 20.758  33.485  38.781  0.1904
7    N 23.232  34.173  37.483 -0.5126
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6    C 42.942  11.716  22.080  0.4917
1    H 41.355  12.699  21.064  0.1904
1    H 41.331  12.502  22.963  0.1904
1    H 41.033  11.315  21.753  0.1904
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6    C  2.326  39.433  14.133  0.4917
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1    H  1.948  38.211  15.850  0.1904
1    H  1.799  39.970  16.156  0.1904
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6    C 30.882   4.416  39.269  0.4917
1    H 28.842   4.817  38.973  0.1904
1    H 29.609   5.505  40.316  0.1904
1    H 29.293   3.723  40.344  0.1904
7    N 31.934   4.274  38.866 -0.5126
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6    C 21.858  39.237  28.660  0.4917
1    H 19.907  38.893  28.148  0.1904
1    H 20.925  39.563  26.754  0.1904
1    H 20.593  40.621  28.166  0.1904
7    N 22.854  39.008  29.178 -0.5126
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6    C  6.718  23.547  21.290  0.4917
1    H  7.407  24.375  19.620  0.1904
1    H  7.098  25.619  20.929  0.1904
1    H  5.728  24.855  19.984  0.1904
7    N  6.814  22.612  21.964 -0.5126
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6    C  0.594   2.330   3.605  0.4917
1    H  1.994   3.678   3.848  0.1904
1    H  2.361   2.160   4.807  0.1904
1    H  1.060   3.434   5.379  0.1904
7    N -0.089   1.756   2.879 -0.5126
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6    C 41.383  39.124  15.430  0.4917
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1    H 41.065  38.590  17.425  0.1904
1    H 39.884  37.712  16.361  0.1904
7    N 42.141  39.439  14.596 -0.5126
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6    C 22.255   5.906  40.888  0.4917
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1    H 23.926   6.703  41.744  0.1904
1    H 22.688   7.855  41.347  0.1904
7    N 21.570   4.950  40.856 -0.5126
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6    C 26.992  17.854  18.086  0.4917
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1    H 27.813  19.771  17.811  0.1904
1    H 26.255  19.579  18.852  0.1904
7    N 27.163  16.705  18.159 -0.5126
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6    C  9.282   0.571  20.951  0.4917
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1    H  9.548   2.573  21.153  0.1904
1    H 10.340   1.679  22.455  0.1904
7    N  9.131  -0.353  20.323 -0.5126
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6    C 37.886  31.465   6.751  0.4917
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1    H 37.348  30.468   8.414  0.1904
1    H 38.967  31.092   8.446  0.1904
7    N 37.571  32.268   6.011 -0.5126
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6    C 16.057  24.525  41.273  0.4917
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1    H 16.410  22.752  40.252  0.1904
1    H 15.432  23.978  39.387  0.1904
7    N 16.389  25.384  41.978 -0.5126
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6    C 19.204  19.644  10.760  0.4917
1    H 17.567  20.928  10.810  0.1904
1    H 17.755  19.963   9.308  0.1904
1    H 18.759  21.351   9.713  0.1904
7    N 20.015  18.948  11.226 -0.5126
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6    C 24.363  34.337   8.398  0.4917
1    H 25.818  35.873   8.963  0.1904
1    H 24.077  36.097   9.265  0.1904
1    H 24.748  36.211   7.594  0.1904
7    N 24.040  33.279   8.171 -0.5126
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6    C 10.973  37.488  26.382  0.4917
1    H 11.401  35.620  26.936  0.1904
1    H  9.794  36.215  27.562  0.1904
1    H 11.260  36.768  28.267  0.1904
7    N 11.120  38.287  25.570 -0.5126
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6    C 29.955  21.032  32.969  0.4917
1    H 28.852  19.271  32.799  0.1904
1    H 30.668  19.074  32.667  0.1904
1    H 29.636  19.907  31.257  0.1904
7    N 30.154  22.041  33.503 -0.5126
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6    C 38.377  21.025  35.847  0.4917
1    H 40.252  21.495  36.734  0.1904
1    H 38.989  22.670  37.005  0.1904
1    H 39.719  22.530  35.395  0.1904
7    N 37.448  20.354  35.611 -0.5126
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6    C 23.874  24.928  33.720  0.4917
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1    H 23.837  24.973  31.683  0.1904
1    H 25.244  25.766  32.535  0.1904
7    N 23.653  24.478  34.691 -0.5126
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6    C 30.864  23.151  37.514  0.4917
1    H 32.601  24.308  37.695  0.1904
1    H 31.645  23.973  39.138  0.1904
1    H 31.103  25.178  38.044  0.1904
7    N 30.274  22.270  37.088 -0.5126
6    C  4.774  37.053   4.736 -0.5503
6    C  6.026  37.218   4.017  0.4917
1    H  4.161  36.266   4.233  0.1904
1    H  4.239  37.970   4.838  0.1904
1    H  5.027  36.629   5.718  0.1904
7    N  7.008  37.309   3.439 -0.5126
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6    C 13.474  40.549   2.335  0.4917
1    H 13.067  39.938   4.238  0.1904
1    H 14.524  39.287   3.739  0.1904
1    H 12.982  38.610   3.242  0.1904
7    N 13.528  41.435   1.547 -0.5126
6    C 27.705   0.782   5.119 -0.5503
6    C 26.408   1.115   4.571  0.4917
1    H 27.617   1.138   6.118  0.1904
1    H 28.560   1.313   4.640  0.1904
1    H 27.778  -0.339   5.119  0.1904
7    N 25.413   1.342   4.126 -0.5126
6    C 19.897   2.046  11.353 -0.5503
6    C 19.476   3.332  10.802  0.4917
1    H 20.575   1.521  10.799  0.1904
1    H 18.973   1.474  11.443  0.1904
1    H 20.277   2.014  12.355  0.1904
7    N 19.134   4.330  10.281 -0.5126
6    C 29.749  40.406  30.417 -0.5503
6    C 30.549  40.315  29.176  0.4917
1    H 29.207  39.480  30.443  0.1904
1    H 29.083  41.256  30.491  0.1904
1    H 30.465  40.402  31.246  0.1904
7    N 31.185  40.158  28.177 -0.5126
6    C 32.722   0.557  31.341 -0.5503
6    C 31.315   0.859  31.053  0.4917
1    H 33.172   0.127  30.481  0.1904
1    H 32.895  -0.203  32.111  0.1904
1    H 33.227   1.376  31.716  0.1904
7    N 30.162   1.050  30.819 -0.5126
6    C 12.155  40.257   9.370 -0.5503
6    C 11.237  40.498   8.237  0.4917
1    H 12.526  41.192   9.867  0.1904
1    H 13.034  39.795   8.837  0.1904
1    H 11.694  39.555  10.043  0.1904
7    N 10.513  40.672   7.340 -0.5126
6    C 32.700  41.815  41.116 -0.5503
6    C 31.568  42.417  41.814  0.4917
1    H 33.134  42.536  40.444  0.1904
1    H 32.286  41.080  40.399  0.1904
1    H 33.379  41.422  41.797  0.1904
7    N 30.705  42.908  42.411 -0.5126
6    C 16.825  26.427  38.275 -0.5503
6    C 16.396  26.775  36.946  0.4917
1    H 17.310  25.503  38.337  0.1904
1    H 15.981  26.396  38.984  0.1904
1    H 17.434  27.138  38.731  0.1904
7    N 16.043  27.033  35.884 -0.5126
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6    C  3.630   9.593  24.456  0.4917
1    H  1.827   9.770  25.597  0.1904
1    H  3.335  10.606  26.223  0.1904
1    H  3.146   8.909  26.361  0.1904
7    N  4.193   9.450  23.457 -0.5126
6    C 11.424  30.610   5.822 -0.5503
6    C 12.322  30.466   4.652  0.4917
1    H 10.765  29.741   5.761  0.1904
1    H 10.978  31.617   5.913  0.1904
1    H 11.999  30.545   6.723  0.1904
7    N 13.029  30.277   3.755 -0.5126
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6    C  5.928  42.474   1.731  0.4917
1    H  7.979  42.706   2.142  0.1904
1    H  7.509  43.003   0.373  0.1904
1    H  7.631  41.420   1.188  0.1904
7    N  4.870  42.441   2.123 -0.5126
6    C 33.374   9.132  24.619 -0.5503
6    C 33.298   9.333  23.223  0.4917
1    H 34.031   9.979  24.980  0.1904
1    H 33.840   8.216  24.711  0.1904
1    H 32.409   9.100  25.050  0.1904
7    N 33.274   9.460  22.064 -0.5126
6    C 31.775   5.566  24.123 -0.5503
6    C 31.408   6.281  22.983  0.4917
1    H 31.628   6.215  24.966  0.1904
1    H 32.856   5.490  23.997  0.1904
1    H 31.305   4.652  24.328  0.1904
7    N 31.095   6.894  22.060 -0.5126
6    C 20.855  37.855  17.208 -0.5503
6    C 21.418  39.111  16.824  0.4917
1    H 20.779  37.977  18.304  0.1904
1    H 21.540  37.028  17.074  0.1904
1    H 19.882  37.682  16.700  0.1904
7    N 21.833  40.125  16.526 -0.5126
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6    C 12.817  13.097  33.842  0.4917
1    H 13.056  13.256  31.815  0.1904
1    H 14.024  14.569  32.772  0.1904
1    H 12.292  14.530  32.521  0.1904
7    N 12.533  12.494  34.818 -0.5126
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6    C 25.852  29.749   6.980  0.4917
1    H 25.933  28.461   8.560  0.1904
1    H 24.473  28.267   7.609  0.1904
1    H 24.750  29.713   8.721  0.1904
7    N 26.397  30.362   6.209 -0.5126
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6    C  6.681  35.476  39.930  0.4917
1    H  4.932  36.028  40.928  0.1904
1    H  5.994  37.367  40.603  0.1904
1    H  6.326  36.159  41.903  0.1904
7    N  7.196  34.852  39.088 -0.5126
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6    C 36.961  31.250  42.824  0.4917
1    H 35.985  30.358  41.123  0.1904
1    H 34.994  30.700  42.463  0.1904
1    H 36.054  29.260  42.373  0.1904
7    N 37.776  31.943  43.330 -0.5126
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6    C 21.453  25.079   3.191  0.4917
1    H 19.346  25.299   3.161  0.1904
1    H 19.963  23.843   3.899  0.1904
1    H 19.984  23.941   2.163  0.1904
7    N 22.435  25.616   3.429 -0.5126
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6    C  1.982  37.911  38.180  0.4917
1    H  1.145  36.700  39.683  0.1904
1    H  1.904  38.192  40.383  0.1904
1    H  2.868  36.828  39.701  0.1904
7    N  2.027  38.405  37.164 -0.5126
6    C  7.646   1.522  37.509 -0.5503
6    C  7.056   1.858  36.206  0.4917
1    H  7.482   2.347  38.220  0.1904
1    H  8.636   1.202  37.389  0.1904
1    H  7.009   0.712  37.837  0.1904
7    N  6.580   2.211  35.238 -0.5126
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6    C  9.949  12.352  23.329  0.4917
1    H 10.864  13.568  22.006  0.1904
1    H  9.385  12.569  21.463  0.1904
1    H 11.104  11.921  21.634  0.1904
7    N  9.562  12.045  24.362 -0.5126
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6    C 18.584  36.691   8.069  0.4917
1    H 18.962  34.766   8.820  0.1904
1    H 19.230  36.055   9.886  0.1904
1    H 20.530  35.677   8.665  0.1904
7    N 17.934  37.452   7.524 -0.5126
6    C 19.619  11.289  19.884 -0.5503
6    C 20.130  12.133  20.929  0.4917
1    H 19.903  10.304  20.185  0.1904
1    H 19.949  11.545  18.880  0.1904
1    H 18.513  11.297  19.808  0.1904
7    N 20.531  12.915  21.690 -0.5126
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6    C 26.192  26.751  17.808  0.4917
1    H 27.518  28.300  17.399  0.1904
1    H 26.880  28.262  19.086  0.1904
1    H 25.830  28.811  17.802  0.1904
7    N 25.899  25.611  17.620 -0.5126
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6    C 30.866  33.862  36.956  0.4917
1    H 29.189  33.271  36.091  0.1904
1    H 28.910  34.670  37.116  0.1904
1    H 29.234  32.944  37.743  0.1904
7    N 32.001  33.989  37.011 -0.5126
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6    C 12.263  11.044   3.660  0.4917
1    H 11.591   9.086   3.480  0.1904
1    H 11.121  10.165   2.197  0.1904
1    H 10.317  10.303   3.712  0.1904
7    N 13.070  11.805   3.961 -0.5126
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6    C 29.579  16.494  15.117  0.4917
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1    H 29.138  18.298  14.261  0.1904
1    H 28.129  16.986  13.708  0.1904
7    N 29.911  15.942  16.063 -0.5126
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6    C  6.593  11.660  15.588  0.4917
1    H  6.352  13.176  16.909  0.1904
1    H  4.951  12.116  16.719  0.1904
1    H  5.313  13.323  15.541  0.1904
7    N  7.293  10.930  15.136 -0.5126
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6    C  9.536  10.620  10.601  0.4917
1    H  9.751   8.489  11.027  0.1904
1    H 11.087   9.656  11.722  0.1904
1    H 10.927   9.280  10.005  0.1904
7    N  8.846  11.566  10.351 -0.5126
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6    C  3.903  37.949   1.056  0.4917
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1    H  3.815  39.833   1.808  0.1904
1    H  4.156  39.786   0.068  0.1904
7    N  3.573  36.853   1.018 -0.5126
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6    C 24.874  20.032  22.071  0.4917
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1    H 23.629  21.333  23.199  0.1904
1    H 24.936  22.126  22.535  0.1904
7    N 24.934  19.134  21.358 -0.5126
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6    C 24.474  28.768   2.825  0.4917
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1    H 22.465  28.723   2.360  0.1904
1    H 23.098  30.136   3.205  0.1904
7    N 25.571  28.490   2.599 -0.5126
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6    C 33.741  21.489  10.131  0.4917
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1    H 31.684  21.745  10.094  0.1904
1    H 32.787  23.088  11.003  0.1904
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1    H 31.729  37.121   1.940  0.1904
1    H 33.012  36.948   0.650  0.1904
7    N 32.203  40.031   0.768 -0.5126
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6    C 41.329  22.672  17.549  0.4917
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1    H 41.529  21.585  15.750  0.1904
1    H 42.938  22.627  16.192  0.1904
7    N 40.913  22.820  18.605 -0.5126
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6    C 35.205  42.785  34.234  0.4917
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1    H 36.914  41.575  34.214  0.1904
1    H 36.664  42.520  32.739  0.1904
7    N 34.423  43.339  34.891 -0.5126
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6    C 21.256  37.034  32.267  0.4917
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1    H 22.487  38.517  31.509  0.1904
1    H 23.063  36.877  31.301  0.1904
7    N 20.239  36.651  32.499 -0.5126
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6    C 42.379  32.672  18.480  0.4917
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1    H 41.589  31.791  16.861  0.1904
1    H 42.623  33.170  16.591  0.1904
7    N 42.889  32.536  19.515 -0.5126
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6    C 26.242  28.507  22.822  0.4917
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1    H 26.188  28.139  24.800  0.1904
1    H 24.613  28.427  24.040  0.1904
7    N 26.839  28.269  21.886 -0.5126
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6    C 20.235   5.295   6.528  0.4917
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1    H 21.419   6.956   6.930  0.1904
1    H 19.658   7.106   6.703  0.1904
7    N 19.951   4.165   6.527 -0.5126
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6    C 17.646  25.896  21.496  0.4917
1    H 16.794  24.632  23.064  0.1904
1    H 18.220  24.083  22.409  0.1904
1    H 16.654  23.913  21.499  0.1904
7    N 17.999  26.878  20.968 -0.5126
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6    C  6.992  39.365  27.393  0.4917
1    H  8.482  38.854  25.883  0.1904
1    H  6.694  39.259  25.404  0.1904
1    H  7.118  37.782  26.006  0.1904
7    N  6.551  39.767  28.400 -0.5126
6    C 13.000  27.847  40.999 -0.5503
6    C 13.084  29.280  40.704  0.4917
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1    H 13.743  27.625  41.678  0.1904
1    H 13.128  27.259  40.109  0.1904
7    N 13.029  30.400  40.493 -0.5126
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6    C  4.615   1.850  40.209  0.4917
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1    H  4.695   0.042  41.197  0.1904
1    H  3.424   1.116  41.692  0.1904
7    N  4.711   2.495  39.257 -0.5126
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6    C 21.667  15.427  28.667  0.4917
1    H 21.190  15.340  26.689  0.1904
1    H 19.869  15.216  27.720  0.1904
1    H 20.888  13.845  27.514  0.1904
7    N 22.260  15.802  29.586 -0.5126
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6    C 21.904  32.522  30.235  0.4917
1    H 20.904  33.488  31.732  0.1904
1    H 20.100  33.566  30.083  0.1904
1    H 21.610  34.501  30.460  0.1904
7    N 22.556  31.653  29.950 -0.5126
6    C  2.164   2.762  36.901 -0.5503
6    C  1.789   1.957  38.073  0.4917
1    H  1.620   2.113  36.135  0.1904
1    H  3.224   2.654  36.832  0.1904
1    H  1.865   3.722  36.983  0.1904
7    N  1.404   1.348  39.000 -0.5126
6    C 30.827  28.358  39.190 -0.5503
6    C 30.471  28.180  37.797  0.4917
1    H 30.772  27.426  39.745  0.1904
1    H 30.225  29.172  39.619  0.1904
1    H 31.887  28.737  39.242  0.1904
7    N 30.207  28.042  36.691 -0.5126
6    C 28.419   9.625  16.840 -0.5503
6    C 28.704   8.931  15.568  0.4917
1    H 27.466  10.014  16.880  0.1904
1    H 29.067  10.462  17.059  0.1904
1    H 28.543   8.971  17.636  0.1904
7    N 29.066   8.398  14.582 -0.5126
6    C 23.700  41.571   2.633 -0.5503
6    C 24.906  41.653   1.896  0.4917
1    H 23.046  41.991   1.831  0.1904
1    H 23.626  42.280   3.445  0.1904
1    H 23.348  40.546   2.974  0.1904
7    N 25.854  41.654   1.306 -0.5126
6    C 14.565  14.444  38.207 -0.5503
6    C 14.380  15.289  37.028  0.4917
1    H 14.302  15.163  39.020  0.1904
1    H 15.589  14.282  38.149  0.1904
1    H 14.039  13.504  38.173  0.1904
7    N 14.168  15.905  36.138 -0.5126
6    C 31.466   6.590  36.361 -0.5503
6    C 31.474   7.212  37.709  0.4917
1    H 32.490   6.176  36.144  0.1904
1    H 31.054   7.312  35.614  0.1904
1    H 30.728   5.848  36.462  0.1904
7    N 31.537   7.767  38.747 -0.5126
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6    C 33.346  20.075  15.620  0.4917
1    H 34.495  21.805  15.330  0.1904
1    H 33.417  21.877  16.780  0.1904
1    H 32.753  22.040  15.142  0.1904
7    N 33.140  18.924  15.519 -0.5126
6    C 36.517  18.268   4.696 -0.5503
6    C 35.794  19.317   5.414  0.4917
1    H 36.954  18.718   3.772  0.1904
1    H 35.837  17.502   4.433  0.1904
1    H 37.269  17.914   5.403  0.1904
7    N 35.145  20.113   5.936 -0.5126
6    C  0.810   7.275  22.885 -0.5503
6    C -0.464   7.399  22.227  0.4917
1    H  0.802   6.574  23.736  0.1904
1    H  0.995   8.264  23.305  0.1904
1    H  1.527   7.024  22.101  0.1904
7    N -1.465   7.472  21.669 -0.5126
6    C 41.669   0.114   7.141 -0.5503
6    C 43.102   0.054   6.877  0.4917
1    H 41.441  -0.717   7.884  0.1904
1    H 41.250  -0.248   6.192  0.1904
1    H 41.156   1.025   7.416  0.1904
7    N 44.228   0.070   6.650 -0.5126
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6    C 12.477  19.968  33.506  0.4917
1    H 13.677  19.042  31.990  0.1904
1    H 14.595  19.913  33.115  0.1904
1    H 13.657  20.803  31.939  0.1904
7    N 11.573  19.967  34.226 -0.5126
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6    C 24.577  30.551  40.004  0.4917
1    H 23.086  29.065  39.865  0.1904
1    H 24.776  28.389  39.923  0.1904
1    H 24.330  29.228  38.472  0.1904
7    N 24.785  31.617  40.290 -0.5126
6    C 38.997  36.567  39.902 -0.5503
6    C 38.712  36.309  41.270  0.4917
1    H 38.229  36.090  39.294  0.1904
1    H 39.936  35.973  39.613  0.1904
1    H 39.120  37.614  39.772  0.1904
7    N 38.470  36.179  42.450 -0.5126
6    C 39.138  18.092  29.316 -0.5503
6    C 39.303  18.965  30.459  0.4917
1    H 40.009  17.911  28.779  0.1904
1    H 38.365  18.406  28.604  0.1904
1    H 38.846  17.145  29.763  0.1904
7    N 39.454  19.696  31.403 -0.5126
6    C 10.744  33.145  10.601 -0.5503
6    C 10.324  31.872  10.262  0.4917
1    H  9.868  33.877  10.569  0.1904
1    H 11.695  33.469  10.206  0.1904
1    H 10.900  33.063  11.668  0.1904
7    N  9.985  30.761  10.115 -0.5126
6    C 23.320   5.531  30.936 -0.5503
6    C 22.129   6.251  30.969  0.4917
1    H 23.102   4.467  31.203  0.1904
1    H 24.007   5.951  31.674  0.1904
1    H 23.847   5.520  29.939  0.1904
7    N 21.211   6.936  31.034 -0.5126
6    C 23.948  19.970  10.287 -0.5503
6    C 22.743  20.625   9.849  0.4917
1    H 23.724  19.737  11.319  0.1904
1    H 24.736  20.666  10.151  0.1904
1    H 24.287  19.124   9.680  0.1904
7    N 21.718  21.093   9.587 -0.5126
6    C 27.723  23.082   6.737 -0.5503
6    C 28.764  24.092   6.670  0.4917
1    H 28.133  22.076   6.683  0.1904
1    H 27.079  23.231   5.945  0.1904
1    H 27.122  23.097   7.648  0.1904
7    N 29.673  24.845   6.482 -0.5126
6    C 35.103  28.256  27.518 -0.5503
6    C 35.852  28.078  28.712  0.4917
1    H 35.573  27.755  26.685  0.1904
1    H 35.097  29.372  27.450  0.1904
1    H 34.160  27.865  27.722  0.1904
7    N 36.411  27.926  29.703 -0.5126
6    C  3.236   3.350   9.699 -0.5503
6    C  3.105   3.682   8.329  0.4917
1    H  3.153   4.255  10.393  0.1904
1    H  4.275   2.986   9.952  0.1904
1    H  2.522   2.593  10.044  0.1904
7    N  3.008   3.997   7.229 -0.5126
6    C 30.907   2.244   1.937 -0.5503
6    C 30.998   2.497   3.353  0.4917
1    H 31.805   1.749   1.586  0.1904
1    H 30.972   3.220   1.526  0.1904
1    H 29.976   1.665   1.621  0.1904
7    N 30.960   2.817   4.460 -0.5126
6    C  5.345  10.566  30.307 -0.5503
6    C  5.620   9.689  29.288  0.4917
1    H  4.942  10.080  31.161  0.1904
1    H  4.922  11.523  30.082  0.1904
1    H  6.312  10.910  30.447  0.1904
7    N  5.929   8.991  28.419 -0.5126
6    C 35.026  21.672   2.865 -0.5503
6    C 35.500  22.949   2.337  0.4917
1    H 35.799  21.291   3.505  0.1904
1    H 34.851  20.940   2.119  0.1904
1    H 34.111  21.917   3.300  0.1904
7    N 35.872  23.961   1.921 -0.5126
6    C 20.053  41.003   1.257 -0.5503
6    C 20.250  41.379   2.612  0.4917
1    H 19.032  41.007   1.026  0.1904
1    H 20.453  40.017   1.038  0.1904
1    H 20.470  41.748   0.633  0.1904
7    N 20.345  41.721   3.668 -0.5126
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6    C 28.786  12.786  19.202  0.4917
1    H 29.916  13.344  17.544  0.1904
1    H 28.505  14.276  17.744  0.1904
1    H 28.429  12.562  17.086  0.1904
7    N 28.577  12.438  20.266 -0.5126
6    C 25.837  40.624  32.066 -0.5503
6    C 26.605  39.438  32.321  0.4917
1    H 24.837  40.440  31.670  0.1904
1    H 26.392  41.154  31.304  0.1904
1    H 25.746  41.279  32.920  0.1904
7    N 27.164  38.451  32.591 -0.5126
6    C 10.023  16.020  35.353 -0.5503
6    C  9.276  17.180  35.936  0.4917
1    H 10.581  16.402  34.510  0.1904
1    H  9.279  15.305  34.947  0.1904
1    H 10.683  15.572  36.037  0.1904
7    N  8.740  18.111  36.298 -0.5126
6    C 18.201  24.327  17.371 -0.5503
6    C 19.256  24.153  18.311  0.4917
1    H 17.478  25.073  17.797  0.1904
1    H 17.615  23.380  17.193  0.1904
1    H 18.460  24.730  16.355  0.1904
7    N 20.041  23.979  19.133 -0.5126
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6    C 11.489  17.321  21.832  0.4917
1    H 12.159  16.142  20.229  0.1904
1    H 11.604  17.646  19.728  0.1904
1    H 10.427  16.487  20.279  0.1904
7    N 11.497  17.621  22.955 -0.5126
6    C 28.760  41.065  13.489 -0.5503
6    C 29.479  42.160  14.141  0.4917
1    H 29.386  40.750  12.671  0.1904
1    H 27.877  41.459  13.055  0.1904
1    H 28.682  40.276  14.242  0.1904
7    N 30.071  43.039  14.666 -0.5126
6    C 20.015  23.350  12.544 -0.5503
6    C 18.563  23.494  12.533  0.4917
1    H 20.084  22.276  12.767  0.1904
1    H 20.398  24.014  13.250  0.1904
1    H 20.528  23.592  11.606  0.1904
7    N 17.408  23.646  12.657 -0.5126
6    C 17.974  30.820  16.366 -0.5503
6    C 17.996  30.471  17.749  0.4917
1    H 17.457  29.975  15.901  0.1904
1    H 18.966  31.129  15.939  0.1904
1    H 17.208  31.637  16.399  0.1904
7    N 18.078  30.211  18.866 -0.5126
6    C 17.269   7.476  24.008 -0.5503
6    C 16.237   7.005  23.120  0.4917
1    H 17.335   6.824  24.873  0.1904
1    H 17.043   8.491  24.305  0.1904
1    H 18.173   7.446  23.305  0.1904
7    N 15.367   6.674  22.426 -0.5126
6    C 28.960  41.281  18.213 -0.5503
6    C 27.819  41.922  17.682  0.4917
1    H 29.866  41.532  17.595  0.1904
1    H 28.849  40.211  18.154  0.1904
1    H 29.210  41.656  19.207  0.1904
7    N 26.918  42.496  17.292 -0.5126
6    C  7.711  23.080  40.251 -0.5503
6    C  6.370  23.483  40.019  0.4917
1    H  8.043  22.491  39.431  0.1904
1    H  7.696  22.447  41.157  0.1904
1    H  8.225  23.988  40.485  0.1904
7    N  5.253  23.805  39.906 -0.5126
6    C 15.934  34.854  33.793 -0.5503
6    C 17.024  33.899  33.605  0.4917
1    H 15.415  34.705  34.749  0.1904
1    H 15.115  34.637  33.066  0.1904
1    H 16.245  35.840  33.648  0.1904
7    N 17.884  33.161  33.498 -0.5126
6    C  1.253  40.992   3.023 -0.5503
6    C  1.332  40.067   4.155  0.4917
1    H  1.369  40.545   2.029  0.1904
1    H  1.963  41.765   3.179  0.1904
1    H  0.222  41.356   3.079  0.1904
7    N  1.346  39.439   5.146 -0.5126
6    C 27.093  33.843  22.957 -0.5503
6    C 27.540  32.527  22.434  0.4917
1    H 27.241  34.716  22.308  0.1904
1    H 27.837  33.958  23.738  0.1904
1    H 26.002  33.844  23.145  0.1904
7    N 27.976  31.516  22.089 -0.5126
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6    C 37.207  23.602  33.210  0.4917
1    H 38.594  24.463  31.912  0.1904
1    H 36.892  24.126  31.402  0.1904
1    H 38.021  22.647  31.534  0.1904
7    N 36.778  23.421  34.270 -0.5126
6    C  6.173   0.265  10.710 -0.5503
6    C  4.739   0.252  10.782  0.4917
1    H  6.569  -0.646  10.175  0.1904
1    H  6.522   0.358  11.720  0.1904
1    H  6.433   1.133  10.088  0.1904
7    N  3.588   0.243  10.947 -0.5126
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6    C 36.940  34.301   9.048  0.4917
1    H 38.592  35.307   8.305  0.1904
1    H 38.888  34.147   9.541  0.1904
1    H 38.264  35.784   9.953  0.1904
7    N 35.918  33.790   8.945 -0.5126
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6    C 26.378   0.138  27.860  0.4917
1    H 26.047   0.766  25.756  0.1904
1    H 25.597   1.875  27.053  0.1904
1    H 24.721   0.397  26.707  0.1904
7    N 26.857  -0.429  28.743 -0.5126
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6    C 20.762  28.185  38.043  0.4917
1    H 21.820  27.181  36.651  0.1904
1    H 20.507  26.212  37.435  0.1904
1    H 22.003  26.480  38.306  0.1904
7    N 20.365  29.252  38.397 -0.5126
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6    C  8.138  37.239   8.007  0.4917
1    H  8.188  36.285   9.918  0.1904
1    H  9.656  37.220   9.551  0.1904
1    H  9.350  35.691   8.715  0.1904
7    N  7.563  37.761   7.168 -0.5126
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6    C 43.142   8.526  33.656  0.4917
1    H 42.017   7.440  35.007  0.1904
1    H 41.985   6.984  33.235  0.1904
1    H 41.141   8.429  33.956  0.1904
7    N 44.047   9.174  33.380 -0.5126
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6    C 35.230  39.796  30.334  0.4917
1    H 36.836  38.871  31.095  0.1904
1    H 36.265  38.219  29.503  0.1904
1    H 35.321  37.822  31.032  0.1904
7    N 34.720  40.802  30.118 -0.5126
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6    C 25.034  36.332  40.100  0.4917
1    H 24.368  34.939  41.625  0.1904
1    H 26.074  34.922  41.113  0.1904
1    H 24.825  34.297  40.003  0.1904
7    N 25.040  37.385  39.707 -0.5126
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6    C  7.776  15.097  13.102  0.4917
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1    H  7.729  13.945  11.468  0.1904
1    H  8.411  13.156  13.036  0.1904
7    N  7.269  15.916  13.661 -0.5126
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6    C 39.635  25.826  28.531  0.4917
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1    H 39.151  24.024  29.536  0.1904
1    H 39.824  23.928  27.844  0.1904
7    N 39.974  26.933  28.600 -0.5126
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6    C 30.939   8.550   8.505  0.4917
1    H 31.433   6.546   8.692  0.1904
1    H 32.711   7.634   8.069  0.1904
1    H 31.548   7.111   7.039  0.1904
7    N 30.471   9.449   9.049 -0.5126
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6    C 34.208  11.445  17.777  0.4917
1    H 35.687  10.070  17.403  0.1904
1    H 36.258  11.796  17.213  0.1904
1    H 35.149  10.951  15.966  0.1904
7    N 33.268  11.775  18.379 -0.5126
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6    C 30.023   9.967  21.202  0.4917
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1    H 29.806   9.143  23.049  0.1904
1    H 29.098  10.779  22.798  0.1904
7    N 30.094   9.832  20.053 -0.5126
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6    C 16.470   9.215  15.647  0.4917
1    H 17.185   9.015  17.515  0.1904
1    H 17.199   7.379  16.568  0.1904
1    H 15.757   8.221  17.291  0.1904
7    N 16.305   9.922  14.785 -0.5126
6    C 11.540  33.100  20.311 -0.5503
6    C 12.895  33.506  19.928  0.4917
1    H 10.855  33.894  20.491  0.1904
1    H 11.634  32.583  21.266  0.1904
1    H 10.994  32.337  19.733  0.1904
7    N 13.947  33.857  19.605 -0.5126
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6    C 37.160  40.441  12.711  0.4917
1    H 38.073  39.806  14.483  0.1904
1    H 38.903  41.136  13.697  0.1904
1    H 39.054  39.497  13.169  0.1904
7    N 36.255  40.623  11.990 -0.5126
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6    C 35.418  16.860   8.107  0.4917
1    H 34.658  18.811   8.335  0.1904
1    H 35.022  18.015   9.859  0.1904
1    H 33.628  17.353   9.017  0.1904
7    N 35.980  16.008   7.585 -0.5126
6    C 11.913   7.745  24.380 -0.5503
6    C 12.958   8.707  24.155  0.4917
1    H 11.422   7.639  23.381  0.1904
1    H 11.164   8.062  25.124  0.1904
1    H 12.380   6.847  24.632  0.1904
7    N 13.804   9.488  23.845 -0.5126
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6    C 39.728  40.662  22.244  0.4917
1    H 41.216  41.959  21.750  0.1904
1    H 40.267  41.324  20.420  0.1904
1    H 41.476  40.298  21.149  0.1904
7    N 38.814  40.303  22.903 -0.5126
6    C 19.051  24.860  29.154 -0.5503
6    C 19.998  24.712  30.203  0.4917
1    H 18.489  23.968  28.920  0.1904
1    H 19.483  25.101  28.187  0.1904
1    H 18.339  25.613  29.451  0.1904
7    N 20.825  24.390  30.940 -0.5126
6    C 38.405   2.363  25.343 -0.5503
6    C 39.803   1.839  25.300  0.4917
1    H 37.759   1.735  24.715  0.1904
1    H 38.418   3.368  24.999  0.1904
1    H 37.918   2.381  26.317  0.1904
7    N 40.935   1.561  25.176 -0.5126
6    C  8.839  29.167   0.287 -0.5503
6    C 10.148  29.469   0.605  0.4917
1    H  8.388  28.937   1.219  0.1904
1    H  8.755  28.273  -0.328  0.1904
1    H  8.480  30.023  -0.243  0.1904
7    N 11.208  29.740   0.904 -0.5126
6    C 31.737   8.662  42.221 -0.5503
6    C 32.774   8.761  43.208  0.4917
1    H 30.759   8.210  42.482  0.1904
1    H 32.064   8.101  41.353  0.1904
1    H 31.438   9.674  41.980  0.1904
7    N 33.540   8.949  44.079 -0.5126
6    C 18.344  29.349   3.938 -0.5503
6    C 18.836  28.545   2.858  0.4917
1    H 18.137  30.377   3.731  0.1904
1    H 19.000  29.188   4.827  0.1904
1    H 17.397  28.878   4.131  0.1904
7    N 19.302  28.021   2.009 -0.5126
6    C 23.721  39.151  25.569 -0.5503
6    C 24.664  39.715  24.594  0.4917
1    H 23.899  39.341  26.559  0.1904
1    H 23.668  38.075  25.371  0.1904
1    H 22.696  39.614  25.410  0.1904
7    N 25.346  40.220  23.835 -0.5126
6    C  4.684   1.174  32.159 -0.5503
6    C  4.381   0.740  33.483  0.4917
1    H  3.875   0.857  31.464  0.1904
1    H  5.628   0.712  31.962  0.1904
1    H  4.702   2.281  32.304  0.1904
7    N  3.974   0.477  34.545 -0.5126
6    C 20.966   6.840  26.054 -0.5503
6    C 21.624   7.473  27.148  0.4917
1    H 20.691   5.763  26.256  0.1904
1    H 21.679   6.683  25.286  0.1904
1    H 20.055   7.397  25.793  0.1904
7    N 22.153   8.022  28.102 -0.5126
6    C 20.536  14.364   5.656 -0.5503
6    C 21.393  13.382   6.260  0.4917
1    H 19.634  14.415   6.165  0.1904
1    H 20.282  13.899   4.594  0.1904
1    H 20.995  15.370   5.650  0.1904
7    N 22.046  12.608   6.820 -0.5126
6    C 27.070   1.722  31.621 -0.5503
6    C 26.491   2.516  30.587  0.4917
1    H 26.465   1.999  32.454  0.1904
1    H 28.118   2.007  31.837  0.1904
1    H 26.969   0.670  31.306  0.1904
7    N 26.013   3.124  29.751 -0.5126
6    C 10.150  37.445   5.050 -0.5503
6    C 11.001  36.968   6.087  0.4917
1    H 10.097  36.747   4.237  0.1904
1    H 10.501  38.412   4.747  0.1904
1    H  9.215  37.519   5.571  0.1904
7    N 11.827  36.668   6.819 -0.5126
6    C 33.918  14.960   4.601 -0.5503
6    C 33.470  16.245   4.983  0.4917
1    H 34.962  14.868   4.830  0.1904
1    H 33.732  14.712   3.596  0.1904
1    H 33.396  14.304   5.202  0.1904
7    N 33.163  17.305   5.285 -0.5126
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6    C 30.370  11.149  12.770  0.4917
1    H 30.493  10.853  14.794  0.1904
1    H 30.238  12.578  14.249  0.1904
1    H 31.807  11.816  13.960  0.1904
7    N 29.981  10.658  11.781 -0.5126
6    C  6.647  34.691  17.936 -0.5503
6    C  5.808  33.619  18.463  0.4917
1    H  7.688  34.528  18.114  0.1904
1    H  6.430  35.464  18.555  0.1904
1    H  6.308  34.799  16.916  0.1904
7    N  5.091  32.849  18.936 -0.5126
6    C  7.105  22.146  28.255 -0.5503
6    C  7.941  21.633  29.387  0.4917
1    H  6.706  21.382  27.592  0.1904
1    H  7.764  22.926  27.735  0.1904
1    H  6.300  22.591  28.796  0.1904
7    N  8.666  21.350  30.246 -0.5126
6    C 10.364  37.578   0.808 -0.5503
6    C 10.477  36.428  -0.051  0.4917
1    H 10.213  37.248   1.823  0.1904
1    H  9.469  38.019   0.497  0.1904
1    H 11.236  38.315   0.703  0.1904
7    N 10.603  35.524  -0.739 -0.5126
6    C  6.771  19.635   1.459 -0.5503
6    C  7.549  20.317   2.534  0.4917
1    H  7.098  18.627   1.342  0.1904
1    H  6.800  20.281   0.619  0.1904
1    H  5.784  19.523   1.824  0.1904
7    N  8.205  20.863   3.368 -0.5126
6    C 41.796   9.223   3.046 -0.5503
6    C 41.322  10.559   2.771  0.4917
1    H 42.163   9.298   4.069  0.1904
1    H 42.634   8.995   2.431  0.1904
1    H 40.885   8.551   2.995  0.1904
7    N 40.844  11.580   2.542 -0.5126
6    C 39.223   3.183  22.071 -0.5503
6    C 39.501   3.907  20.854  0.4917
1    H 40.054   2.640  22.502  0.1904
1    H 38.357   2.545  22.000  0.1904
1    H 39.034   3.952  22.783  0.1904
7    N 39.737   4.570  19.932 -0.5126
6    C 12.873  14.364  13.378 -0.5503
6    C 12.688  12.955  13.764  0.4917
1    H 13.997  14.493  13.264  0.1904
1    H 12.362  15.009  14.101  0.1904
1    H 12.471  14.567  12.395  0.1904
7    N 12.532  11.915  14.111 -0.5126
6    C  6.261  33.799  22.617 -0.5503
6    C  7.118  33.092  21.707  0.4917
1    H  5.966  33.271  23.540  0.1904
1    H  5.367  33.974  22.060  0.1904
1    H  6.840  34.680  22.932  0.1904
7    N  7.812  32.533  20.989 -0.5126
6    C 21.378   4.008  28.265 -0.5503
6    C 22.663   4.003  27.525  0.4917
1    H 20.476   4.048  27.622  0.1904
1    H 21.296   4.922  28.786  0.1904
1    H 21.353   3.155  28.952  0.1904
7    N 23.701   3.897  27.001 -0.5126
6    C  8.407  18.230  31.980 -0.5503
6    C  7.369  18.308  31.036  0.4917
1    H  8.445  17.137  32.087  0.1904
1    H  8.367  18.838  32.921  0.1904
1    H  9.308  18.542  31.397  0.1904
7    N  6.530  18.397  30.210 -0.5126
6    C 26.991  27.352  42.743 -0.5503
6    C 27.436  28.104  41.557  0.4917
1    H 27.337  27.820  43.602  0.1904
1    H 27.442  26.337  42.716  0.1904
1    H 25.916  27.310  42.733  0.1904
7    N 27.760  28.653  40.612 -0.5126
6    C 27.512   1.182  41.765 -0.5503
6    C 27.713  -0.032  41.041  0.4917
1    H 26.689   1.786  41.419  0.1904
1    H 28.444   1.781  41.676  0.1904
1    H 27.374   0.885  42.793  0.1904
7    N 27.830  -1.006  40.506 -0.5126
6    C 20.672  16.115  34.808 -0.5503
6    C 21.759  15.972  33.881  0.4917
1    H 19.791  15.981  34.281  0.1904
1    H 20.720  17.155  35.132  0.1904
1    H 20.811  15.429  35.610  0.1904
7    N 22.685  15.731  33.208 -0.5126
6    C 32.248  26.708   1.949 -0.5503
6    C 32.350  25.571   2.791  0.4917
1    H 31.213  26.759   1.467  0.1904
1    H 33.041  26.530   1.220  0.1904
1    H 32.486  27.609   2.495  0.1904
7    N 32.522  24.615   3.464 -0.5126
6    C 41.871  39.969  26.951 -0.5503
6    C 42.010  40.314  25.564  0.4917
1    H 42.751  39.415  27.221  0.1904
1    H 40.994  39.346  26.872  0.1904
1    H 41.861  40.740  27.639  0.1904
7    N 42.041  40.637  24.454 -0.5126
6    C  0.158  35.641   5.866 -0.5503
6    C  0.798  36.215   4.749  0.4917
1    H -0.587  36.329   6.251  0.1904
1    H  0.924  35.457   6.592  0.1904
1    H -0.245  34.673   5.552  0.1904
7    N  1.317  36.679   3.834 -0.5126
6    C 30.892  35.941   5.122 -0.5503
6    C 29.673  35.749   4.309  0.4917
1    H 31.822  35.689   4.642  0.1904
1    H 30.852  35.307   5.973  0.1904
1    H 30.783  36.961   5.454  0.1904
7    N 28.721  35.612   3.665 -0.5126
6    C 23.679   0.045  30.371 -0.5503
6    C 22.775   0.162  29.235  0.4917
1    H 23.631   0.970  30.910  0.1904
1    H 24.695  -0.102  30.034  0.1904
1    H 23.355  -0.856  30.985  0.1904
7    N 22.114   0.283  28.290 -0.5126
6    C 13.852  19.482  18.263 -0.5503
6    C 12.813  20.444  18.593  0.4917
1    H 14.798  19.908  18.607  0.1904
1    H 13.717  19.461  17.220  0.1904
1    H 13.598  18.537  18.693  0.1904
7    N 11.949  21.189  18.817 -0.5126
6    C 13.099  31.589  16.742 -0.5503
6    C 13.896  31.241  15.632  0.4917
1    H 12.934  32.698  16.690  0.1904
1    H 13.415  31.160  17.620  0.1904
1    H 12.105  31.132  16.454  0.1904
7    N 14.540  30.972  14.715 -0.5126
6    C  5.981  33.863   8.333 -0.5503
6    C  5.241  33.915   7.100  0.4917
1    H  5.328  33.946   9.127  0.1904
1    H  6.713  34.702   8.322  0.1904
1    H  6.430  32.915   8.441  0.1904
7    N  4.744  34.029   6.059 -0.5126
6    C 33.959  34.652  32.521 -0.5503
6    C 32.947  33.695  32.874  0.4917
1    H 33.479  35.418  31.943  0.1904
1    H 34.627  34.098  31.870  0.1904
1    H 34.512  35.023  33.367  0.1904
7    N 32.142  32.931  33.151 -0.5126
6    C 16.275  19.069  38.551 -0.5503
6    C 15.156  19.757  37.963  0.4917
1    H 16.491  17.982  38.276  0.1904
1    H 16.107  19.103  39.607  0.1904
1    H 17.147  19.674  38.344  0.1904
7    N 14.255  20.325  37.546 -0.5126
6    C 13.327   1.503  38.685 -0.5503
6    C 13.152   1.543  40.142  0.4917
1    H 13.524   0.479  38.408  0.1904
1    H 14.180   2.029  38.348  0.1904
1    H 12.366   1.846  38.256  0.1904
7    N 13.041   1.498  41.245 -0.5126
6    C 37.612   7.701  21.628 -0.5503
6    C 36.557   7.881  20.667  0.4917
1    H 38.491   7.363  21.200  0.1904
1    H 37.191   7.003  22.330  0.1904
1    H 37.857   8.670  22.022  0.1904
7    N 35.754   8.054  19.826 -0.5126
6    C 18.532  16.129  24.072 -0.5503
6    C 18.921  14.865  24.605  0.4917
1    H 18.691  16.153  22.969  0.1904
1    H 18.982  17.097  24.511  0.1904
1    H 17.454  16.160  24.289  0.1904
7    N 19.293  13.903  25.054 -0.5126
6    C 15.479  33.034  37.796 -0.5503
6    C 16.933  33.014  37.698  0.4917
1    H 14.997  32.049  37.553  0.1904
1    H 15.030  33.679  37.057  0.1904
1    H 15.338  33.234  38.877  0.1904
7    N 18.103  33.063  37.597 -0.5126
6    C 31.460   4.461  29.348 -0.5503
6    C 30.379   4.945  30.246  0.4917
1    H 31.269   4.887  28.360  0.1904
1    H 31.477   3.346  29.354  0.1904
1    H 32.387   4.933  29.623  0.1904
7    N 29.585   5.276  31.030 -0.5126
6    C 19.684  27.533  34.042 -0.5503
6    C 20.392  27.700  32.779  0.4917
1    H 19.121  28.428  34.295  0.1904
1    H 20.526  27.273  34.685  0.1904
1    H 18.993  26.678  33.913  0.1904
7    N 20.930  27.830  31.743 -0.5126
6    C 40.614  38.233  29.641 -0.5503
6    C 39.545  39.233  29.417  0.4917
1    H 40.757  37.658  28.688  0.1904
1    H 40.184  37.548  30.436  0.1904
1    H 41.528  38.685  29.860  0.1904
7    N 38.769  40.055  29.204 -0.5126
6    C 41.982  29.364   5.805 -0.5503
6    C 42.221  30.480   6.684  0.4917
1    H 42.126  28.433   6.353  0.1904
1    H 42.631  29.353   4.993  0.1904
1    H 40.965  29.258   5.397  0.1904
7    N 42.295  31.440   7.370 -0.5126
6    C 11.009  24.554   7.583 -0.5503
6    C 12.195  24.845   8.354  0.4917
1    H 11.332  24.282   6.549  0.1904
1    H 10.470  25.520   7.536  0.1904
1    H 10.349  23.812   7.944  0.1904
7    N 13.212  25.119   8.906 -0.5126
6    C 24.450  42.406   7.055 -0.5503
6    C 24.909  41.302   6.187  0.4917
1    H 25.058  43.255   6.914  0.1904
1    H 24.413  42.082   8.071  0.1904
1    H 23.363  42.561   6.871  0.1904
7    N 25.208  40.554   5.391 -0.5126
6    C 16.945  30.951  41.477 -0.5503
6    C 15.895  30.602  42.421  0.4917
1    H 16.544  31.218  40.484  0.1904
1    H 17.696  30.146  41.482  0.1904
1    H 17.520  31.762  41.937  0.1904
7    N 15.026  30.317  43.145 -0.5126
6    C 10.619   2.283  34.950 -0.5503
6    C 11.648   2.269  33.962  0.4917
1    H 10.334   3.286  34.875  0.1904
1    H 10.990   2.034  35.938  0.1904
1    H  9.847   1.635  34.628  0.1904
7    N 12.484   2.249  33.125 -0.5126
6    C 36.771   2.528  39.437 -0.5503
6    C 35.636   2.129  40.264  0.4917
1    H 36.752   3.600  39.097  0.1904
1    H 36.745   1.914  38.589  0.1904
1    H 37.707   2.263  39.964  0.1904
7    N 34.789   1.836  40.960 -0.5126
6    C 16.440  10.132  10.601 -0.5503
6    C 15.137   9.598  10.840  0.4917
1    H 17.105   9.685   9.868  0.1904
1    H 16.987  10.021  11.558  0.1904
1    H 16.320  11.207  10.490  0.1904
7    N 14.106   9.087  10.948 -0.5126
6    C 31.184  29.712   0.146 -0.5503
6    C 29.890  30.214   0.485  0.4917
1    H 31.110  28.619  -0.051  0.1904
1    H 32.028  29.887   0.788  0.1904
1    H 31.439  30.237  -0.811  0.1904
7    N 28.904  30.613   0.812 -0.5126
6    C 20.574  41.879   6.718 -0.5503
6    C 20.559  41.893   8.158  0.4917
1    H 19.603  41.497   6.474  0.1904
1    H 21.302  41.151   6.309  0.1904
1    H 20.710  42.887   6.340  0.1904
7    N 20.344  41.917   9.308 -0.5126
6    C 13.240  33.451   2.010 -0.5503
6    C 12.442  33.594   3.212  0.4917
1    H 14.246  33.544   2.442  0.1904
1    H 13.006  34.359   1.441  0.1904
1    H 13.098  32.459   1.625  0.1904
7    N 11.788  33.672   4.208 -0.5126
6    C 34.613   5.725   2.620 -0.5503
6    C 35.691   5.527   1.721  0.4917
1    H 33.865   6.561   2.394  0.1904
1    H 35.100   6.057   3.539  0.1904
1    H 34.036   4.868   2.875  0.1904
7    N 36.570   5.308   0.985 -0.5126
6    C 14.429  22.834  16.405 -0.5503
6    C 13.132  22.453  15.852  0.4917
1    H 15.112  21.966  16.419  0.1904
1    H 14.287  23.046  17.466  0.1904
1    H 14.904  23.667  15.977  0.1904
7    N 12.089  22.119  15.458 -0.5126
6    C 23.433  38.204  37.103 -0.5503
6    C 22.495  38.693  38.124  0.4917
1    H 23.088  38.781  36.165  0.1904
1    H 23.124  37.119  37.031  0.1904
1    H 24.466  38.438  37.306  0.1904
7    N 21.697  38.962  38.884 -0.5126
6    C 27.342   3.322  14.381 -0.5503
6    C 27.689   2.398  13.362  0.4917
1    H 28.020   3.253  15.216  0.1904
1    H 26.495   3.022  14.921  0.1904
1    H 27.182   4.353  14.063  0.1904
7    N 27.953   1.796  12.473 -0.5126
6    C 11.324  11.423   6.939 -0.5503
6    C 12.319  11.531   7.968  0.4917
1    H 11.214  12.343   6.457  0.1904
1    H 10.524  11.062   7.618  0.1904
1    H 11.673  10.719   6.201  0.1904
7    N 13.091  11.594   8.826 -0.5126
6    C 27.994  37.332   0.468 -0.5503
6    C 26.895  37.595   1.411  0.4917
1    H 27.665  37.222  -0.471  0.1904
1    H 28.491  36.480   0.860  0.1904
1    H 28.658  38.232   0.429  0.1904
7    N 26.033  37.780   2.116 -0.5126
6    C 24.094  40.515  41.505 -0.5503
6    C 24.188  41.638  40.620  0.4917
1    H 23.682  39.720  40.901  0.1904
1    H 23.288  40.823  42.220  0.1904
1    H 24.954  40.214  42.010  0.1904
7    N 24.244  42.487  39.816 -0.5126
6    C 33.585  13.134  41.396 -0.5503
6    C 34.086  11.797  41.486  0.4917
1    H 32.931  13.530  42.193  0.1904
1    H 32.957  13.102  40.525  0.1904
1    H 34.422  13.748  41.225  0.1904
7    N 34.433  10.715  41.616 -0.5126
6    C 38.286  20.342  15.977 -0.5503
6    C 39.332  19.785  16.894  0.4917
1    H 37.485  19.634  15.796  0.1904
1    H 38.671  20.660  15.035  0.1904
1    H 37.779  21.253  16.373  0.1904
7    N 40.166  19.322  17.556 -0.5126
6    C  8.169   7.078  32.347 -0.5503
6    C  6.743   7.317  32.172  0.4917
1    H  8.409   6.092  32.847  0.1904
1    H  8.421   7.920  32.923  0.1904
1    H  8.724   7.176  31.425  0.1904
7    N  5.613   7.480  31.949 -0.5126
6    C  7.208  40.533   4.809 -0.5503
6    C  8.448  40.554   4.131  0.4917
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1    H  6.423  39.936   4.368  0.1904
1    H  6.836  41.548   4.907  0.1904
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6    C 27.425   1.613  35.023  0.4917
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1    H 28.305  -0.139  35.638  0.1904
1    H 26.606  -0.326  35.226  0.1904
7    N 27.596   2.689  34.595 -0.5126
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6    C 21.332  31.243   5.292  0.4917
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1    H 22.215  29.527   6.128  0.1904
1    H 21.466  30.703   7.269  0.1904
7    N 20.736  31.725   4.411 -0.5126
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6    C 27.485  30.744  36.233  0.4917
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1    H 28.977  30.490  34.892  0.1904
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6    C 10.043  23.528  32.942  0.4917
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1    H  8.358  22.535  33.519  0.1904
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6    C 17.843  21.245  24.808  0.4917
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1    H 17.573  21.784  26.879  0.1904
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7    N 17.918  20.476  23.959 -0.5126
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1    H 29.996  33.799   8.600  0.1904
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7    N 32.029  32.763  10.735 -0.5126
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1    H 21.913  18.905  26.465  0.1904
1    H 20.343  18.199  26.280  0.1904
7    N 22.185  16.552  24.390 -0.5126
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6    C 30.220  40.112   3.481  0.4917
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1    H 29.386  42.138   3.073  0.1904
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7    N 30.901  39.341   3.922 -0.5126
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6    C  5.837  18.728  33.793  0.4917
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1    H  4.941  20.436  34.490  0.1904
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6    C 39.308   6.844  24.642  0.4917
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1    H 39.394   8.726  25.582  0.1904
7    N 38.759   5.774  24.481 -0.5126
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6    C -0.709  30.627  10.848  0.4917
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1    H  1.137  29.724  10.265  0.1904
7    N -1.842  30.832  10.661 -0.5126
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6    C  3.672  40.991  38.802  0.4917
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1    H  5.381  41.050  37.547  0.1904
1    H  4.212  42.299  37.185  0.1904
7    N  3.172  40.812  39.848 -0.5126
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6    C  6.253  33.331  13.255  0.4917
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1    H  4.257  33.129  13.561  0.1904
1    H  5.305  31.736  13.970  0.1904
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6    C  3.437  40.795   8.442  0.4917
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1    H  2.021  39.906   9.769  0.1904
1    H  1.566  40.004   8.073  0.1904
7    N  4.527  41.057   8.170 -0.5126
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6    C  5.892  28.217   2.948  0.4917
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1    H  5.036  30.113   2.903  0.1904
1    H  4.268  28.884   3.950  0.1904
7    N  6.835  27.533   2.964 -0.5126
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6    C 24.872  25.459  20.357  0.4917
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1    H 26.957  25.173  20.553  0.1904
1    H 25.910  23.767  20.305  0.1904
7    N 23.931  25.980  19.947 -0.5126
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6    C 10.654  18.225  15.880  0.4917
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1    H  8.712  18.922  16.215  0.1904
1    H  9.478  19.691  14.714  0.1904
7    N 11.453  17.412  15.899 -0.5126
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6    C 23.709  14.141  17.750  0.4917
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1    H 25.727  13.883  17.128  0.1904
1    H 24.751  14.994  16.146  0.1904
7    N 23.020  14.293  18.665 -0.5126
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6    C 36.909   9.774  25.208  0.4917
1    H 35.985  10.273  26.955  0.1904
1    H 37.599  11.115  26.642  0.1904
1    H 37.519   9.216  27.025  0.1904
7    N 36.898   9.436  24.112 -0.5126
6    C  1.756  16.004   5.041 -0.5503
6    C  0.689  16.928   5.397  0.4917
1    H  1.727  15.897   3.879  0.1904
1    H  1.637  15.118   5.682  0.1904
1    H  2.711  16.465   5.245  0.1904
7    N -0.111  17.630   5.842 -0.5126
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6    C 41.517  40.654  37.513  0.4917
1    H 41.270  38.870  36.401  0.1904
1    H 41.978  40.204  35.521  0.1904
1    H 40.300  40.331  35.871  0.1904
7    N 41.632  41.150  38.539 -0.5126
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6    C 30.812   1.266  34.308  0.4917
1    H 30.534   3.165  35.295  0.1904
1    H 30.411   3.146  33.553  0.1904
1    H 32.042   2.947  34.345  0.1904
7    N 30.742   0.145  34.323 -0.5126
6    C 33.425  14.492  28.015 -0.5503
6    C 34.269  13.756  28.885  0.4917
1    H 32.974  15.258  28.499  0.1904
1    H 32.662  13.871  27.615  0.1904
1    H 34.113  14.962  27.308  0.1904
7    N 35.021  13.265  29.605 -0.5126
6    C 16.560  41.595  42.249 -0.5503
6    C 16.172  40.304  42.829  0.4917
1    H 16.683  42.261  43.128  0.1904
1    H 15.728  41.870  41.645  0.1904
1    H 17.528  41.504  41.815  0.1904
7    N 15.770  39.294  43.245 -0.5126
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6    C 36.168  10.423  38.246  0.4917
1    H 34.652   9.072  38.393  0.1904
1    H 36.172   8.306  37.932  0.1904
1    H 35.385   9.399  36.743  0.1904
7    N 36.558  11.441  38.575 -0.5126
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6    C 34.129  32.855  21.649  0.4917
1    H 36.192  32.889  21.078  0.1904
1    H 35.320  34.341  21.144  0.1904
1    H 35.119  33.318  19.706  0.1904
7    N 33.348  32.451  22.374 -0.5126
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6    C  9.104  33.733   6.148  0.4917
1    H  9.047  33.895   4.081  0.1904
1    H  7.693  34.705   5.074  0.1904
1    H  7.794  32.969   4.933  0.1904
7    N  9.562  33.641   7.223 -0.5126
6    C  8.837   8.796  37.709 -0.5503
6    C  9.813   8.411  36.631  0.4917
1    H  9.213   9.461  38.581  0.1904
1    H  8.254   7.906  38.059  0.1904
1    H  8.026   9.261  37.130  0.1904
7    N 10.632   8.132  35.882 -0.5126
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6    C 33.392  17.811  12.093  0.4917
1    H 34.266  17.142  13.722  0.1904
1    H 35.199  18.395  13.028  0.1904
1    H 35.071  16.838  12.109  0.1904
7    N 32.366  17.995  11.611 -0.5126
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6    C 41.682   0.752  17.751  0.4917
1    H 42.149   0.601  19.760  0.1904
1    H 41.076   1.836  19.414  0.1904
1    H 42.891   1.895  18.973  0.1904
7    N 41.469   0.351  16.667 -0.5126
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6    C 24.708  32.580   1.626  0.4917
1    H 25.588  31.602   0.027  0.1904
1    H 24.700  30.631   1.201  0.1904
1    H 26.331  31.102   1.522  0.1904
7    N 24.096  33.426   2.092 -0.5126
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6    C 16.012  24.298  32.865  0.4917
1    H 15.812  24.039  34.932  0.1904
1    H 16.640  22.778  34.024  0.1904
1    H 14.766  22.904  33.970  0.1904
7    N 16.218  25.033  32.009 -0.5126
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6    C 23.921  20.293  13.907  0.4917
1    H 25.111  21.973  13.605  0.1904
1    H 23.463  22.252  14.123  0.1904
1    H 23.838  21.707  12.450  0.1904
7    N 23.770  19.200  14.171 -0.5126
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6    C 19.991  41.183  39.906  0.4917
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1    H 20.008  41.452  37.780  0.1904
1    H 21.428  41.953  38.634  0.1904
7    N 19.708  40.524  40.844 -0.5126
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6    C 18.688  22.773  35.653  0.4917
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1    H 20.272  22.139  34.587  0.1904
1    H 19.568  23.631  33.950  0.1904
7    N 18.073  22.971  36.552 -0.5126
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6    C 16.998  37.125  36.631  0.4917
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1    H 18.827  37.391  35.743  0.1904
1    H 18.366  35.764  36.040  0.1904
7    N 15.856  37.401  36.724 -0.5126
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6    C 37.773   8.509  33.062  0.4917
1    H 39.280   7.182  32.639  0.1904
1    H 38.469   7.926  31.103  0.1904
1    H 37.733   6.663  31.965  0.1904
7    N 37.386   9.330  33.823 -0.5126
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6    C 19.326  42.440  14.593  0.4917
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1    H 19.263  40.405  14.090  0.1904
1    H 18.384  41.361  12.962  0.1904
7    N 19.864  43.328  15.113 -0.5126
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6    C 12.902  26.247  36.265  0.4917
1    H 11.678  25.619  34.676  0.1904
1    H 12.514  24.378  35.587  0.1904
1    H 13.485  25.329  34.403  0.1904
7    N 13.035  26.905  37.180 -0.5126
6    C 23.781   2.784  41.854 -0.5503
6    C 22.810   1.795  42.384  0.4917
1    H 24.797   2.401  41.998  0.1904
1    H 23.825   3.679  42.428  0.1904
1    H 23.642   2.970  40.772  0.1904
7    N 22.076   1.081  42.857 -0.5126
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6    C  0.101  11.919   9.846  0.4917
1    H -0.504  10.125   9.044  0.1904
1    H -0.478  10.180  10.850  0.1904
1    H  1.100  10.104   9.769  0.1904
7    N  0.244  13.054   9.686 -0.5126
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6    C 36.830  16.145  22.729  0.4917
1    H 38.127  17.725  23.177  0.1904
1    H 36.622  18.074  22.152  0.1904
1    H 38.122  17.202  21.492  0.1904
7    N 36.319  15.192  23.001 -0.5126
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6    C  9.413  13.946  16.676  0.4917
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1    H  9.472  15.728  17.452  0.1904
1    H 11.071  14.737  17.727  0.1904
7    N  9.145  13.262  15.824 -0.5126
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6    C 19.893  40.920  31.095  0.4917
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1    H 17.895  41.100  31.209  0.1904
1    H 18.445  40.223  29.759  0.1904
7    N 20.930  40.766  31.646 -0.5126
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6    C  1.687  41.538  20.645  0.4917
1    H  3.426  41.408  19.581  0.1904
1    H  2.175  40.231  19.135  0.1904
1    H  3.043  40.045  20.616  0.1904
7    N  1.055  42.254  21.317 -0.5126
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6    C 18.154  38.032   2.292  0.4917
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1    H 18.990  37.981   0.292  0.1904
1    H 18.796  36.469   1.180  0.1904
7    N 17.543  38.470   3.133 -0.5126
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6    C 42.137  11.546  36.986  0.4917
1    H 41.028  12.837  35.904  0.1904
1    H 40.751  12.966  37.706  0.1904
1    H 40.091  11.597  36.633  0.1904
7    N 43.135  10.999  37.183 -0.5126
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6    C 14.907   4.861  40.722  0.4917
1    H 15.956   5.520  42.449  0.1904
1    H 16.368   3.945  41.776  0.1904
1    H 14.873   4.123  42.655  0.1904
7    N 14.340   5.082  39.707 -0.5126
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6    C 26.901  37.098  36.075  0.4917
1    H 25.719  35.531  36.772  0.1904
1    H 26.571  35.105  35.331  0.1904
1    H 25.104  36.215  35.332  0.1904
7    N 27.615  38.001  36.287 -0.5126
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6    C 38.002  10.043  41.810  0.4917
1    H 37.694   8.642  43.439  0.1904
1    H 36.323   9.804  42.951  0.1904
1    H 37.770  10.493  43.763  0.1904
7    N 38.530  10.286  40.799 -0.5126
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6    C 30.753  23.138  30.068  0.4917
1    H 28.837  22.269  30.295  0.1904
1    H 29.254  22.885  28.589  0.1904
1    H 28.868  23.952  30.004  0.1904
7    N 31.899  23.095  30.301 -0.5126
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6    C  5.964  31.240  38.373  0.4917
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1    H  4.055  32.191  37.939  0.1904
1    H  4.947  33.006  38.988  0.1904
7    N  6.961  30.741  38.014 -0.5126
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6    C  6.924   5.301  37.681  0.4917
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1    H  4.807   5.399  37.981  0.1904
1    H  5.751   6.702  38.764  0.1904
7    N  7.770   4.977  36.915 -0.5126
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6    C 40.424  -0.499  10.671  0.4917
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1    H 41.810   0.357  12.039  0.1904
1    H 41.223   1.400  10.717  0.1904
7    N 39.493  -1.142  10.467 -0.5126
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6    C  4.402   9.525  37.107  0.4917
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1    H  3.200  10.930  36.058  0.1904
1    H  2.601   9.379  36.479  0.1904
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1    H 41.788  30.121  37.282  0.4170
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1    H 27.280   9.794  33.653  0.4170
8    O 15.035  13.882  17.311 -0.8340
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1    H 15.089  14.807  17.267  0.4170
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1    H 17.554  28.925  27.696  0.4170
8    O 27.653  21.959  39.894 -0.8340
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1    H 26.938  21.334  40.115  0.4170
8    O 10.949  30.903  28.902 -0.8340
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1    H 10.496  30.115  28.458  0.4170
8    O  1.786  38.684  34.335 -0.8340
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1    H  1.734  39.605  34.624  0.4170
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1    H 42.125  28.005  28.917  0.4170
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1    H 16.314  -0.023  21.306  0.4170
8    O 34.361   0.743   9.439 -0.8340
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1    H 35.201   1.189   9.643  0.4170
8    O 25.646  22.484  30.863 -0.8340
1    H 26.217  23.005  31.444  0.4170
1    H 25.503  21.713  31.413  0.4170
8    O 11.414   3.913  23.267 -0.8340
1    H 11.362   3.986  22.267  0.4170
1    H 12.379   4.013  23.365  0.4170
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1    H 19.714  16.797  39.849  0.4170
8    O 18.163  11.454  22.955 -0.8340
1    H 18.662  10.633  23.115  0.4170
1    H 18.535  12.040  23.565  0.4170
8    O 17.269  11.397  42.022 -0.8340
1    H 17.699  10.504  41.961  0.4170
1    H 16.461  11.120  42.481  0.4170
8    O  5.814  24.543  16.513 -0.8340
1    H  6.403  25.122  16.969  0.4170
1    H  5.576  25.088  15.746  0.4170
8    O  9.680  41.116  11.103 -0.8340
1    H 10.565  40.848  11.293  0.4170
1    H  9.184  41.099  11.916  0.4170
8    O 24.432  18.628   4.726 -0.8340
1    H 24.622  18.230   3.905  0.4170
1    H 23.527  18.878   4.677  0.4170
8    O 11.956  29.133  30.578 -0.8340
1    H 11.162  28.792  31.153  0.4170
1    H 12.086  28.268  30.064  0.4170
8    O 15.123  22.140   9.810 -0.8340
1    H 15.438  23.027   9.581  0.4170
1    H 14.585  22.347  10.634  0.4170
8    O 29.291  31.921   3.379 -0.8340
1    H 29.830  31.112   3.532  0.4170
1    H 29.099  32.117   4.371  0.4170
8    O 36.686  39.639  36.402 -0.8340
1    H 36.348  39.255  37.250  0.4170
1    H 37.020  40.506  36.646  0.4170
8    O 26.106  16.011   6.317 -0.8340
1    H 25.388  15.546   5.814  0.4170
1    H 26.318  16.737   5.653  0.4170
8    O  0.327  22.629  21.121 -0.8340
1    H -0.338  22.134  21.695  0.4170
1    H  0.292  22.102  20.318  0.4170
8    O 38.170  22.509   9.731 -0.8340
1    H 37.581  22.658  10.467  0.4170
1    H 37.940  21.674   9.341  0.4170
8    O 22.964  16.074   3.303 -0.8340
1    H 23.657  15.881   2.642  0.4170
1    H 23.375  15.608   4.049  0.4170
8    O 25.402  34.164  13.248 -0.8340
1    H 24.491  34.205  12.881  0.4170
1    H 25.831  33.610  12.541  0.4170
8    O 30.504  14.312  22.662 -0.8340
1    H 31.027  13.933  21.903  0.4170
1    H 29.784  14.694  22.132  0.4170
8    O  3.289  37.998  32.234 -0.8340
1    H  2.573  37.830  31.593  0.4170
1    H  2.616  38.197  33.020  0.4170
8    O 20.675  21.534  27.211 -0.8340
1    H 20.716  22.385  26.709  0.4170
1    H 21.522  21.199  27.298  0.4170
8    O 24.092   6.743  34.586 -0.8340
1    H 23.795   7.541  34.015  0.4170
1    H 23.193   6.550  34.974  0.4170
8    O 37.958   8.587   7.779 -0.8340
1    H 38.481   8.012   8.384  0.4170
1    H 37.614   9.260   8.374  0.4170
8    O 13.219  11.255  37.302 -0.8340
1    H 13.091  11.732  36.481  0.4170
1    H 12.366  11.290  37.684  0.4170
8    O 32.913  41.554   5.160 -0.8340
1    H 31.993  41.397   5.329  0.4170
1    H 32.888  41.724   4.228  0.4170
8    O 14.343  31.044  25.019 -0.8340
1    H 14.070  30.760  24.132  0.4170
1    H 15.133  31.557  24.859  0.4170
8    O 30.484  22.492  22.413 -0.8340
1    H 31.069  21.993  23.025  0.4170
1    H 29.728  22.011  22.382  0.4170
8    O  5.114   3.624  26.415 -0.8340
1    H  5.520   3.034  25.729  0.4170
1    H  5.836   3.813  27.020  0.4170
8    O 23.811  20.920  28.975 -0.8340
1    H 24.496  21.420  29.435  0.4170
1    H 23.035  21.065  29.484  0.4170
8    O 33.035  32.154  18.294 -0.8340
1    H 32.588  32.996  18.455  0.4170
1    H 32.915  31.718  19.108  0.4170
8    O 38.023  43.055  29.226 -0.8340
1    H 39.015  43.160  29.327  0.4170
1    H 38.001  42.068  29.491  0.4170
8    O 25.767  36.818  23.204 -0.8340
1    H 24.825  36.500  23.323  0.4170
1    H 26.102  36.338  22.429  0.4170
8    O  1.749  25.562  39.584 -0.8340
1    H  2.493  24.994  39.755  0.4170
1    H  1.109  25.227  40.221  0.4170
8    O 25.561   5.069  35.909 -0.8340
1    H 25.087   5.880  35.568  0.4170
1    H 25.588   4.528  35.076  0.4170
8    O 30.542  11.887   3.594 -0.8340
1    H 30.847  11.886   4.537  0.4170
1    H 29.631  12.231   3.709  0.4170
8    O 11.139   8.131   6.662 -0.8340
1    H 10.364   7.834   7.233  0.4170
1    H 10.950   7.452   5.921  0.4170
8    O 14.557   4.241  37.019 -0.8340
1    H 14.020   4.623  36.281  0.4170
1    H 14.233   4.768  37.763  0.4170
8    O  1.719  15.565   9.053 -0.8340
1    H  1.388  15.373   9.973  0.4170
1    H  0.873  15.363   8.558  0.4170
8    O 14.830  20.883  28.434 -0.8340
1    H 15.333  21.501  28.955  0.4170
1    H 14.397  20.308  29.144  0.4170
8    O 37.891  14.213  41.563 -0.8340
1    H 38.746  13.848  41.252  0.4170
1    H 37.927  13.977  42.516  0.4170
8    O 26.348   6.917  13.551 -0.8340
1    H 26.099   6.411  14.369  0.4170
1    H 26.911   7.652  13.974  0.4170
8    O 25.341  16.651  11.471 -0.8340
1    H 26.289  16.731  11.171  0.4170
1    H 24.849  16.510  10.682  0.4170
8    O 25.301  10.712   3.223 -0.8340
1    H 24.989  10.160   2.443  0.4170
1    H 26.206  10.374   3.411  0.4170
8    O 19.224   2.267   4.114 -0.8340
1    H 19.190   1.329   3.944  0.4170
1    H 19.559   2.280   5.005  0.4170
8    O 33.286   5.072   6.067 -0.8340
1    H 33.048   4.450   6.735  0.4170
1    H 33.651   5.820   6.595  0.4170
8    O 28.185  27.291   7.519 -0.8340
1    H 27.261  26.921   7.545  0.4170
1    H 28.639  26.604   8.064  0.4170
8    O 37.650  15.666  11.614 -0.8340
1    H 38.654  15.656  11.479  0.4170
1    H 37.430  16.440  11.048  0.4170
8    O 32.751  32.534  39.578 -0.8340
1    H 32.331  32.659  40.393  0.4170
1    H 33.392  33.276  39.487  0.4170
8    O 25.300  14.659  31.473 -0.8340
1    H 24.795  13.940  31.044  0.4170
1    H 24.606  15.039  32.072  0.4170
8    O 20.602  28.583  26.465 -0.8340
1    H 21.247  29.108  26.870  0.4170
1    H 19.776  28.973  26.910  0.4170
8    O 33.151   7.060  19.719 -0.8340
1    H 33.887   7.658  19.991  0.4170
1    H 32.776   6.835  20.577  0.4170
8    O 19.066  27.269  15.087 -0.8340
1    H 19.190  27.763  15.914  0.4170
1    H 18.095  27.179  15.083  0.4170
8    O 28.390  24.661  40.267 -0.8340
1    H 28.180  25.309  39.504  0.4170
1    H 27.929  23.870  40.038  0.4170
8    O 24.270  14.508  24.476 -0.8340
1    H 23.756  13.673  24.702  0.4170
1    H 23.526  15.171  24.498  0.4170
8    O 22.537  30.518  17.870 -0.8340
1    H 23.022  29.745  18.159  0.4170
1    H 21.677  30.112  17.544  0.4170
8    O 21.285   6.726  35.183 -0.8340
1    H 20.746   6.918  35.978  0.4170
1    H 20.952   7.422  34.574  0.4170
8    O 13.497  40.083  32.930 -0.8340
1    H 12.988  39.576  33.623  0.4170
1    H 14.393  40.083  33.316  0.4170
8    O 27.053  23.033  17.058 -0.8340
1    H 27.550  22.832  17.894  0.4170
1    H 26.542  23.756  17.413  0.4170
8    O 20.253  26.504   7.450 -0.8340
1    H 19.523  26.043   6.966  0.4170
1    H 20.993  25.898   7.091  0.4170
8    O  1.120   9.161  19.321 -0.8340
1    H  1.340   8.553  20.029  0.4170
1    H  0.915   8.576  18.607  0.4170
8    O  5.120  12.879  27.789 -0.8340
1    H  5.173  13.829  28.032  0.4170
1    H  6.008  12.671  28.159  0.4170
8    O 12.957  10.443  40.385 -0.8340
1    H 12.687   9.796  41.104  0.4170
1    H 12.112  10.825  40.140  0.4170
8    O  2.866  16.544  36.730 -0.8340
1    H  2.356  17.088  37.336  0.4170
1    H  3.770  16.701  37.037  0.4170
8    O 32.273  30.601  15.984 -0.8340
1    H 32.846  29.875  15.658  0.4170
1    H 32.803  30.869  16.799  0.4170
8    O 13.799   1.701   9.994 -0.8340
1    H 13.724   2.655  10.209  0.4170
1    H 13.234   1.584   9.267  0.4170
8    O 13.572   4.739  30.179 -0.8340
1    H 13.069   3.974  30.494  0.4170
1    H 13.942   4.395  29.349  0.4170
8    O 21.435   4.962  17.396 -0.8340
1    H 20.928   4.105  17.415  0.4170
1    H 21.283   5.288  16.493  0.4170
8    O 19.330  12.113  12.633 -0.8340
1    H 20.051  12.655  13.057  0.4170
1    H 18.611  12.649  12.888  0.4170
8    O 32.435  12.837   1.754 -0.8340
1    H 31.867  13.495   1.391  0.4170
1    H 31.918  12.570   2.579  0.4170
8    O 33.973  15.232  20.907 -0.8340
1    H 33.177  14.707  20.937  0.4170
1    H 34.488  14.947  21.696  0.4170
8    O  6.866   3.568  11.581 -0.8340
1    H  6.715   2.915  12.273  0.4170
1    H  7.737   3.407  11.208  0.4170
8    O 13.371   6.154  32.961 -0.8340
1    H 14.151   6.102  33.530  0.4170
1    H 13.707   5.649  32.205  0.4170
8    O 33.865  12.163  33.704 -0.8340
1    H 34.869  12.142  33.672  0.4170
1    H 33.697  11.468  33.049  0.4170
8    O 20.646   2.792  38.307 -0.8340
1    H 20.849   2.948  39.222  0.4170
1    H 21.417   3.212  37.874  0.4170
8    O  1.806  14.571  20.480 -0.8340
1    H  2.261  14.106  19.707  0.4170
1    H  2.475  14.273  21.137  0.4170
8    O 11.788  14.621   0.874 -0.8340
1    H 12.629  14.075   0.755  0.4170
1    H 11.460  14.429  -0.056  0.4170
8    O 41.288  15.292  34.273 -0.8340
1    H 41.908  15.974  34.016  0.4170
1    H 41.418  15.343  35.279  0.4170
8    O 41.468   7.727   7.702 -0.8340
1    H 41.144   7.251   8.498  0.4170
1    H 41.781   6.929   7.207  0.4170
8    O  9.095  42.210  24.992 -0.8340
1    H  9.000  41.843  24.104  0.4170
1    H  8.162  42.142  25.306  0.4170
8    O 35.891  21.194  18.343 -0.8340
1    H 36.820  21.352  18.681  0.4170
1    H 35.794  21.984  17.783  0.4170
8    O 16.310  13.627   7.448 -0.8340
1    H 16.618  14.132   6.647  0.4170
1    H 16.713  12.763   7.281  0.4170
8    O 22.717  34.883   5.889 -0.8340
1    H 23.675  35.076   5.698  0.4170
1    H 22.831  34.058   6.368  0.4170
8    O 15.506  40.845   7.042 -0.8340
1    H 15.082  41.241   6.296  0.4170
1    H 16.283  40.407   6.576  0.4170
8    O 35.952  32.094  14.223 -0.8340
1    H 35.051  32.345  14.489  0.4170
1    H 35.943  32.359  13.294  0.4170
8    O 42.487  20.582   3.724 -0.8340
1    H 42.560  21.178   4.490  0.4170
1    H 42.013  21.179   3.076  0.4170
8    O 28.329   5.391  25.893 -0.8340
1    H 28.446   4.824  25.127  0.4170
1    H 27.536   5.027  26.344  0.4170
8    O 40.203  41.539  31.715 -0.8340
1    H 40.485  42.009  32.563  0.4170
1    H 40.379  42.205  31.042  0.4170
8    O 31.918  19.281   6.903 -0.8340
1    H 32.122  18.337   6.688  0.4170
1    H 31.582  19.177   7.838  0.4170
8    O 27.305  39.639  20.466 -0.8340
1    H 27.340  40.459  20.971  0.4170
1    H 26.537  39.749  19.927  0.4170
8    O 32.101  38.998  37.507 -0.8340
1    H 32.531  39.887  37.467  0.4170
1    H 31.361  39.162  36.871  0.4170
8    O 21.667  18.245   4.083 -0.8340
1    H 22.058  17.403   3.730  0.4170
1    H 21.364  18.616   3.192  0.4170
8    O 27.089  10.821  30.127 -0.8340
1    H 26.184  10.706  30.347  0.4170
1    H 27.422   9.856  30.314  0.4170
8    O 39.982  17.767  33.467 -0.8340
1    H 39.621  18.463  32.843  0.4170
1    H 39.289  17.084  33.257  0.4170
8    O 39.408  36.490   2.446 -0.8340
1    H 39.200  36.591   1.450  0.4170
1    H 40.128  37.160   2.507  0.4170
8    O 37.886  26.725  35.895 -0.8340
1    H 37.870  27.630  35.545  0.4170
1    H 38.815  26.464  35.642  0.4170
8    O  9.312  22.869  15.966 -0.8340
1    H 10.164  22.416  15.924  0.4170
1    H  9.415  23.584  15.259  0.4170
8    O 12.191  40.585  12.514 -0.8340
1    H 13.134  40.734  12.278  0.4170
1    H 12.066  39.651  12.376  0.4170
8    O  4.863  13.709  19.233 -0.8340
1    H  4.050  13.170  18.856  0.4170
1    H  4.821  14.428  18.604  0.4170
8    O 13.695   5.021  20.547 -0.8340
1    H 14.208   4.212  20.425  0.4170
1    H 14.075   5.438  21.370  0.4170
8    O  4.217  15.900  17.765 -0.8340
1    H  3.381  15.740  17.260  0.4170
1    H  3.894  16.439  18.475  0.4170
8    O 35.273  18.865  35.676 -0.8340
1    H 34.667  19.531  35.270  0.4170
1    H 36.140  19.256  35.629  0.4170
8    O 32.068   4.678  19.055 -0.8340
1    H 32.474   5.552  19.269  0.4170
1    H 31.371   5.041  18.475  0.4170
8    O 30.679  26.105  22.229 -0.8340
1    H 31.585  25.863  22.614  0.4170
1    H 30.150  26.081  23.015  0.4170
8    O  4.028   6.208  29.276 -0.8340
1    H  3.709   6.395  30.163  0.4170
1    H  4.802   6.754  29.202  0.4170
8    O 18.179  33.507  24.807 -0.8340
1    H 18.612  33.661  23.948  0.4170
1    H 18.626  34.156  25.383  0.4170
8    O 32.301  36.893  20.189 -0.8340
1    H 32.751  36.692  21.045  0.4170
1    H 31.446  37.274  20.495  0.4170
8    O 19.538  40.267  34.679 -0.8340
1    H 19.138  39.547  34.084  0.4170
1    H 18.826  40.385  35.326  0.4170
8    O 23.892  16.007  42.428 -0.8340
1    H 22.977  15.805  42.058  0.4170
1    H 23.932  15.313  43.157  0.4170
8    O 42.398  23.633  27.612 -0.8340
1    H 42.602  22.828  27.051  0.4170
1    H 42.767  24.303  26.989  0.4170
8    O 16.213  28.664  23.517 -0.8340
1    H 15.914  28.944  24.444  0.4170
1    H 15.515  28.076  23.327  0.4170
8    O 28.600  40.963  37.596 -0.8340
1    H 29.054  41.667  38.191  0.4170
1    H 28.487  40.290  38.219  0.4170
8    O 11.893  18.146  26.337 -0.8340
1    H 11.818  18.722  25.531  0.4170
1    H 12.491  17.445  26.033  0.4170
8    O  8.496   2.498  17.712 -0.8340
1    H  8.753   2.273  16.811  0.4170
1    H  7.623   2.011  17.764  0.4170
8    O 39.538  16.192   3.223 -0.8340
1    H 38.746  15.845   3.593  0.4170
1    H 39.282  16.452   2.317  0.4170
8    O 36.641  12.355  33.717 -0.8340
1    H 37.526  12.740  33.946  0.4170
1    H 36.885  11.399  33.669  0.4170
8    O  4.443  41.844  29.107 -0.8340
1    H  5.292  42.250  28.919  0.4170
1    H  4.723  41.093  29.708  0.4170
8    O 26.791  35.576  31.226 -0.8340
1    H 27.002  36.277  31.860  0.4170
1    H 26.119  36.005  30.669  0.4170
8    O  7.681  27.953  23.400 -0.8340
1    H  7.136  28.045  22.567  0.4170
1    H  8.510  27.707  23.024  0.4170
8    O 33.139  12.329  11.804 -0.8340
1    H 33.898  12.157  11.211  0.4170
1    H 32.898  11.475  12.148  0.4170
8    O  6.360   4.352   7.932 -0.8340
1    H  6.291   3.418   7.850  0.4170
1    H  6.932   4.586   7.165  0.4170
8    O 38.860  21.690  21.913 -0.8340
1    H 38.400  21.302  22.673  0.4170
1    H 39.788  21.427  22.071  0.4170
8    O 31.333  33.741  13.073 -0.8340
1    H 31.540  33.715  12.164  0.4170
1    H 30.580  33.144  13.140  0.4170
8    O 23.170  12.144  20.600 -0.8340
1    H 22.980  12.906  20.014  0.4170
1    H 22.711  12.476  21.433  0.4170
8    O  4.947  27.255   5.906 -0.8340
1    H  5.231  26.481   6.452  0.4170
1    H  5.911  27.492   5.658  0.4170
8    O 26.072  11.739  10.264 -0.8340
1    H 26.745  12.410  10.283  0.4170
1    H 26.590  10.874  10.285  0.4170
8    O 15.097   0.783  24.830 -0.8340
1    H 16.028   0.950  24.552  0.4170
1    H 15.052  -0.174  24.730  0.4170
8    O 39.554  40.494  41.631 -0.8340
1    H 39.485  40.696  42.604  0.4170
1    H 39.380  41.423  41.326  0.4170
8    O 33.430  21.332  19.568 -0.8340
1    H 33.908  21.271  20.441  0.4170
1    H 34.200  21.174  19.005  0.4170
8    O 28.925   9.214  36.445 -0.8340
1    H 29.818   9.548  36.570  0.4170
1    H 28.688   9.505  35.565  0.4170
8    O 36.987  13.642  15.257 -0.8340
1    H 36.871  13.766  14.289  0.4170
1    H 37.582  12.832  15.213  0.4170
8    O 28.407  38.018  13.012 -0.8340
1    H 27.868  38.508  13.630  0.4170
1    H 28.469  37.164  13.439  0.4170
8    O 28.570  36.162  27.531 -0.8340
1    H 29.422  35.998  27.000  0.4170
1    H 28.053  36.472  26.721  0.4170
8    O 26.788  32.594  11.379 -0.8340
1    H 26.836  31.954  10.623  0.4170
1    H 27.576  32.374  11.861  0.4170
8    O 30.479   5.804   0.800 -0.8340
1    H 30.821   5.445   1.635  0.4170
1    H 31.298   5.794   0.232  0.4170
8    O 30.645  14.064  36.407 -0.8340
1    H 30.130  13.657  35.698  0.4170
1    H 31.484  13.483  36.307  0.4170
8    O 25.478   3.942   3.024 -0.8340
1    H 25.553   4.234   3.974  0.4170
1    H 25.429   2.965   3.151  0.4170
8    O 12.429   0.961  24.394 -0.8340
1    H 13.338   0.942  24.764  0.4170
1    H 12.292   1.899  24.235  0.4170
8    O 38.386   1.827   7.862 -0.8340
1    H 38.997   2.575   8.090  0.4170
1    H 37.726   1.909   8.619  0.4170
8    O  7.398  40.224  18.941 -0.8340
1    H  8.046  40.865  19.343  0.4170
1    H  7.861  39.401  19.165  0.4170
8    O 26.579  25.018  24.568 -0.8340
1    H 26.482  25.322  25.526  0.4170
1    H 27.503  25.352  24.457  0.4170
8    O 36.169  27.913  19.505 -0.8340
1    H 35.577  28.659  19.703  0.4170
1    H 37.009  28.374  19.318  0.4170
8    O 11.948  17.349  41.230 -0.8340
1    H 12.722  17.026  41.761  0.4170
1    H 12.360  17.670  40.440  0.4170
8    O 31.812  23.460  18.021 -0.8340
1    H 31.252  23.664  18.859  0.4170
1    H 32.401  22.782  18.445  0.4170
8    O  8.125  40.934  22.573 -0.8340
1    H  8.407  41.407  21.826  0.4170
1    H  7.160  41.126  22.599  0.4170
8    O 15.198  26.471  29.324 -0.8340
1    H 14.639  27.233  29.275  0.4170
1    H 15.546  26.506  30.246  0.4170
8    O 14.392  26.294  24.494 -0.8340
1    H 14.748  25.971  25.307  0.4170
1    H 13.485  26.569  24.749  0.4170
8    O 10.539  23.039  28.415 -0.8340
1    H 11.341  23.115  28.948  0.4170
1    H 10.838  22.244  27.904  0.4170
8    O 34.587   1.793  12.847 -0.8340
1    H 35.408   1.477  13.354  0.4170
1    H 34.289   0.928  12.461  0.4170
8    O 23.171   8.986  33.294 -0.8340
1    H 23.373   9.886  33.587  0.4170
1    H 22.195   8.909  33.377  0.4170
8    O 39.028  17.136   7.367 -0.8340
1    H 38.951  17.054   8.281  0.4170
1    H 39.318  18.073   7.265  0.4170
8    O  1.614  11.238   2.805 -0.8340
1    H  1.377  11.541   3.717  0.4170
1    H  2.549  11.047   2.913  0.4170
8    O 22.032  38.285  42.378 -0.8340
1    H 22.695  37.999  41.761  0.4170
1    H 22.614  38.385  43.162  0.4170
8    O 22.836   8.336  18.452 -0.8340
1    H 23.705   8.224  18.901  0.4170
1    H 22.886   9.292  18.217  0.4170
8    O 15.916   0.267  30.227 -0.8340
1    H 15.547  -0.576  30.407  0.4170
1    H 15.522   0.486  29.383  0.4170
8    O 33.451  40.838  16.303 -0.8340
1    H 32.959  40.187  16.848  0.4170
1    H 33.131  40.625  15.396  0.4170
8    O 31.073   1.769  12.023 -0.8340
1    H 30.355   1.087  12.283  0.4170
1    H 31.543   1.313  11.326  0.4170
8    O 26.216   6.210  38.978 -0.8340
1    H 26.859   6.293  38.210  0.4170
1    H 25.840   5.345  38.763  0.4170
8    O 34.860  32.015  11.566 -0.8340
1    H 35.166  31.094  11.649  0.4170
1    H 33.963  31.904  11.322  0.4170
8    O 27.959  33.240  30.179 -0.8340
1    H 27.635  33.569  29.355  0.4170
1    H 27.390  33.835  30.791  0.4170
8    O 33.942  24.847  27.916 -0.8340
1    H 33.185  24.725  28.532  0.4170
1    H 33.667  24.257  27.173  0.4170
8    O 15.529  29.346  12.316 -0.8340
1    H 14.812  29.293  11.691  0.4170
1    H 15.192  30.109  12.910  0.4170
8    O  1.962  12.975  15.691 -0.8340
1    H  1.255  12.337  15.446  0.4170
1    H  2.050  13.476  14.827  0.4170
8    O 39.432  34.262  21.014 -0.8340
1    H 40.326  34.043  21.366  0.4170
1    H 38.917  33.746  21.703  0.4170
8    O 26.644  17.861  23.555 -0.8340
1    H 26.615  16.977  24.070  0.4170
1    H 26.335  17.495  22.679  0.4170
8    O 13.376  11.053  30.385 -0.8340
1    H 13.997  10.670  31.048  0.4170
1    H 12.577  10.522  30.534  0.4170
8    O 26.967  23.604  14.458 -0.8340
1    H 27.660  23.090  14.049  0.4170
1    H 27.021  23.259  15.415  0.4170
8    O 29.882  10.450   1.184 -0.8340
1    H 29.870  10.953   2.054  0.4170
1    H 29.617   9.541   1.506  0.4170
8    O 31.098  -0.063  23.499 -0.8340
1    H 31.552  -0.373  24.309  0.4170
1    H 31.653   0.698  23.228  0.4170
8    O 30.727  35.130  25.842 -0.8340
1    H 30.849  35.768  25.115  0.4170
1    H 31.606  34.730  25.912  0.4170
8    O 26.007  40.778  37.812 -0.8340
1    H 26.944  40.756  37.665  0.4170
1    H 25.953  40.918  38.779  0.4170
8    O 13.304   2.444  13.935 -0.8340
1    H 12.645   2.432  13.184  0.4170
1    H 14.109   2.223  13.370  0.4170
8    O 38.334   3.071   0.205 -0.8340
1    H 38.471   2.820   1.146  0.4170
1    H 37.659   3.779   0.325  0.4170
8    O 29.879  35.752  21.391 -0.8340
1    H 29.068  36.279  21.175  0.4170
1    H 29.929  35.919  22.342  0.4170
8    O 35.640  42.327   5.426 -0.8340
1    H 34.821  42.205   4.871  0.4170
1    H 36.248  42.701   4.719  0.4170
8    O 27.823  12.096  37.165 -0.8340
1    H 28.213  12.611  36.477  0.4170
1    H 28.157  11.226  37.111  0.4170
8    O  7.548  26.836  34.038 -0.8340
1    H  7.901  27.567  34.633  0.4170
1    H  7.763  27.217  33.171  0.4170
8    O 33.308  34.180  29.314 -0.8340
1    H 33.097  35.111  29.356  0.4170
1    H 32.513  33.789  29.709  0.4170
8    O 43.033  26.789   9.478 -0.8340
1    H 43.425  26.666   8.635  0.4170
1    H 42.058  26.754   9.304  0.4170
8    O  0.825  31.949  36.236 -0.8340
1    H  0.532  31.022  36.325  0.4170
1    H  1.259  31.918  35.361  0.4170
8    O 39.520   3.997  31.462 -0.8340
1    H 39.888   3.540  30.697  0.4170
1    H 39.310   4.912  31.063  0.4170
8    O 25.662  20.104  40.806 -0.8340
1    H 25.240  19.264  40.454  0.4170
1    H 25.267  20.014  41.714  0.4170
8    O 15.146  42.222   9.528 -0.8340
1    H 15.120  41.913   8.604  0.4170
1    H 14.915  43.184   9.321  0.4170
8    O 41.472  14.860   5.021 -0.8340
1    H 40.973  15.415   4.359  0.4170
1    H 41.893  14.246   4.417  0.4170
8    O  5.676  15.201  25.794 -0.8340
1    H  5.479  15.486  26.696  0.4170
1    H  5.499  16.110  25.381  0.4170
8    O 35.611   1.649  30.394 -0.8340
1    H 36.570   1.290  30.207  0.4170
1    H 35.653   2.403  29.782  0.4170
8    O 41.296  25.845  39.227 -0.8340
1    H 40.366  25.837  39.583  0.4170
1    H 41.826  25.727  39.987  0.4170
8    O 15.624   9.316  20.456 -0.8340
1    H 15.694   8.732  19.714  0.4170
1    H 15.259   8.702  21.106  0.4170
8    O 18.033   0.990  28.073 -0.8340
1    H 17.665   1.892  27.959  0.4170
1    H 17.317   0.593  28.582  0.4170
8    O 25.273  28.064  35.021 -0.8340
1    H 25.639  28.353  34.078  0.4170
1    H 24.432  28.575  34.902  0.4170
8    O  7.007  26.924  25.815 -0.8340
1    H  7.742  26.641  26.288  0.4170
1    H  7.361  27.202  24.924  0.4170
8    O 29.785  19.588   4.029 -0.8340
1    H 30.791  19.677   4.002  0.4170
1    H 29.642  19.271   3.102  0.4170
8    O 20.289  10.289  36.567 -0.8340
1    H 20.333   9.544  37.193  0.4170
1    H 19.618   9.973  35.966  0.4170
8    O  3.794  10.849  21.133 -0.8340
1    H  4.194  10.486  21.994  0.4170
1    H  2.910  11.163  21.536  0.4170
8    O 16.075  25.160  27.142 -0.8340
1    H 15.956  25.876  27.779  0.4170
1    H 16.789  25.624  26.546  0.4170
8    O 38.938  12.300  24.072 -0.8340
1    H 39.090  13.283  24.016  0.4170
1    H 38.941  12.128  24.992  0.4170
8    O 25.708  21.693  26.330 -0.8340
1    H 25.556  20.789  26.664  0.4170
1    H 26.655  21.673  26.105  0.4170
8    O  9.370   3.388  10.286 -0.8340
1    H  9.335   2.518   9.836  0.4170
1    H  9.692   3.948   9.568  0.4170
8    O 16.706   3.439   1.876 -0.8340
1    H 16.389   2.533   2.069  0.4170
1    H 17.474   3.352   1.336  0.4170
8    O 28.007  12.965   4.335 -0.8340
1    H 27.350  12.246   4.412  0.4170
1    H 28.028  13.356   5.194  0.4170
8    O  5.615  19.917  14.838 -0.8340
1    H  5.938  19.766  13.911  0.4170
1    H  5.745  20.898  14.866  0.4170
8    O  0.165  39.061  43.062 -0.8340
1    H -0.326  39.009  42.180  0.4170
1    H  0.694  39.819  42.873  0.4170
8    O 12.943  39.484  39.980 -0.8340
1    H 13.419  38.711  39.632  0.4170
1    H 13.508  40.218  39.668  0.4170
8    O  6.391   4.775  33.636 -0.8340
1    H  6.908   5.382  34.046  0.4170
1    H  6.478   4.007  34.207  0.4170
8    O 40.926  29.712  23.659 -0.8340
1    H 40.901  28.840  24.183  0.4170
1    H 41.581  29.372  23.014  0.4170
8    O 13.294  30.228  10.648 -0.8340
1    H 13.581  30.926  10.055  0.4170
1    H 12.788  29.690   9.993  0.4170
8    O 22.397  40.632  34.139 -0.8340
1    H 21.524  40.496  34.498  0.4170
1    H 22.271  40.310  33.228  0.4170
8    O 35.633   7.384  10.838 -0.8340
1    H 36.243   7.051  10.109  0.4170
1    H 36.198   7.377  11.603  0.4170
8    O 12.227  28.927   8.635 -0.8340
1    H 12.678  28.082   8.457  0.4170
1    H 11.324  28.647   8.874  0.4170
8    O  8.049  30.674  13.137 -0.8340
1    H  7.555  30.879  12.330  0.4170
1    H  8.440  29.778  12.852  0.4170
8    O 37.724  29.032  34.088 -0.8340
1    H 38.426  28.981  33.326  0.4170
1    H 37.021  28.543  33.641  0.4170
8    O  6.006  13.345  39.727 -0.8340
1    H  6.065  14.289  39.413  0.4170
1    H  5.749  12.923  38.856  0.4170
8    O 29.720  28.927  29.089 -0.8340
1    H 29.922  29.792  28.692  0.4170
1    H 28.752  28.909  29.226  0.4170
8    O 24.262   7.464  22.663 -0.8340
1    H 24.350   6.595  23.125  0.4170
1    H 24.021   7.298  21.800  0.4170
8    O 22.182  34.595  27.406 -0.8340
1    H 22.113  33.772  26.863  0.4170
1    H 21.208  34.782  27.543  0.4170
8    O 18.737   1.557  34.496 -0.8340
1    H 18.769   2.550  34.716  0.4170
1    H 18.631   1.171  35.379  0.4170
8    O 40.027  27.349  17.327 -0.8340
1    H 39.233  27.903  17.467  0.4170
1    H 39.916  26.770  18.115  0.4170
8    O 17.748  26.246  25.526 -0.8340
1    H 18.698  26.155  25.173  0.4170
1    H 17.592  27.151  25.147  0.4170
8    O 33.892  41.074   7.996 -0.8340
1    H 33.637  41.374   7.090  0.4170
1    H 33.934  41.954   8.476  0.4170
8    O 23.032  10.610  14.090 -0.8340
1    H 23.576  10.303  13.330  0.4170
1    H 22.559  11.368  13.673  0.4170
8    O 35.092  22.876   6.765 -0.8340
1    H 35.146  21.944   6.483  0.4170
1    H 34.141  23.060   6.501  0.4170
8    O 32.883  24.785  41.841 -0.8340
1    H 33.182  25.634  41.459  0.4170
1    H 31.920  24.996  42.022  0.4170
8    O 40.996  22.890  42.136 -0.8340
1    H 40.903  22.033  42.548  0.4170
1    H 40.510  23.488  42.705  0.4170
8    O  4.511  28.312  33.368 -0.8340
1    H  4.491  27.612  34.076  0.4170
1    H  3.902  27.877  32.699  0.4170
8    O  7.512  18.612  13.290 -0.8340
1    H  7.920  18.602  12.440  0.4170
1    H  7.393  17.685  13.518  0.4170
8    O 14.682  13.767   9.878 -0.8340
1    H 15.144  13.799   9.045  0.4170
1    H 14.101  13.022   9.723  0.4170
8    O 38.470  28.160  31.830 -0.8340
1    H 38.720  29.065  31.561  0.4170
1    H 37.707  27.975  31.244  0.4170
8    O 10.163   6.381   4.730 -0.8340
1    H  9.575   5.921   4.077  0.4170
1    H 10.875   5.758   4.830  0.4170
8    O 41.428  38.777   6.366 -0.8340
1    H 42.203  39.040   5.879  0.4170
1    H 40.752  39.396   6.102  0.4170
8    O 17.028  13.189  34.776 -0.8340
1    H 16.668  12.872  33.895  0.4170
1    H 16.857  14.141  34.718  0.4170
8    O 35.088  16.999  16.524 -0.8340
1    H 34.182  17.297  16.375  0.4170
1    H 34.947  16.220  17.074  0.4170
8    O  3.364  32.646  30.171 -0.8340
1    H  4.224  32.227  30.198  0.4170
1    H  2.959  32.353  31.018  0.4170
8    O 34.103  21.392  24.317 -0.8340
1    H 34.684  21.080  23.655  0.4170
1    H 33.220  21.070  24.128  0.4170
8    O 28.120  12.031  27.554 -0.8340
1    H 27.651  11.628  28.268  0.4170
1    H 27.817  11.410  26.854  0.4170
8    O 38.056  10.840   9.859 -0.8340
1    H 38.608  11.287  10.531  0.4170
1    H 38.077  11.483   9.126  0.4170
8    O 11.429  19.070   5.527 -0.8340
1    H 11.216  18.326   4.874  0.4170
1    H 12.407  19.076   5.430  0.4170
8    O 24.893   8.453   1.047 -0.8340
1    H 25.384   8.595   0.217  0.4170
1    H 25.383   7.674   1.389  0.4170
8    O 10.172  27.262  22.638 -0.8340
1    H 10.270  26.263  22.540  0.4170
1    H 10.751  27.332  23.481  0.4170
8    O  1.815  19.106   2.578 -0.8340
1    H  1.339  19.148   1.736  0.4170
1    H  1.108  19.359   3.217  0.4170
8    O 41.195  33.197  35.604 -0.8340
1    H 41.348  34.172  35.860  0.4170
1    H 41.962  32.845  36.147  0.4170
8    O  0.761  28.042  32.791 -0.8340
1    H  1.159  27.146  33.099  0.4170
1    H  1.013  27.916  31.874  0.4170
8    O 28.025  29.944  15.111 -0.8340
1    H 28.093  30.816  14.672  0.4170
1    H 28.623  30.061  15.881  0.4170
8    O 34.573  18.709  41.619 -0.8340
1    H 35.533  18.802  41.714  0.4170
1    H 34.524  17.813  41.270  0.4170
8    O 42.508  26.490   4.372 -0.8340
1    H 41.732  26.104   4.742  0.4170
1    H 42.221  27.158   3.773  0.4170
8    O 30.441  18.906   9.227 -0.8340
1    H 30.597  18.447  10.065  0.4170
1    H 30.222  18.180   8.610  0.4170
8    O 12.619  40.711  15.961 -0.8340
1    H 12.058  40.663  16.773  0.4170
1    H 12.859  39.753  15.892  0.4170
8    O 39.871  30.541  40.418 -0.8340
1    H 39.369  31.378  40.399  0.4170
1    H 40.069  30.445  41.388  0.4170
8    O  8.917  25.331   4.618 -0.8340
1    H  9.460  24.549   4.382  0.4170
1    H  9.376  26.010   4.067  0.4170
8    O 30.436  33.140  20.850 -0.8340
1    H 30.987  33.640  20.223  0.4170
1    H 30.058  33.955  21.319  0.4170
8    O  3.251  17.195  22.774 -0.8340
1    H  3.916  17.541  23.358  0.4170
1    H  2.812  16.567  23.344  0.4170
8    O  6.423   1.773   7.218 -0.8340
1    H  7.032   1.008   7.323  0.4170
1    H  5.617   1.339   6.888  0.4170
8    O 40.285  33.389  41.661 -0.8340
1    H 39.951  34.121  42.157  0.4170
1    H 39.738  33.343  40.855  0.4170
8    O 28.462  36.788  17.653 -0.8340
1    H 28.581  35.801  17.601  0.4170
1    H 28.240  36.904  18.601  0.4170
8    O 36.816  23.302  12.015 -0.8340
1    H 36.434  24.216  12.130  0.4170
1    H 37.216  23.183  12.904  0.4170
8    O 32.731  23.801   6.188 -0.8340
1    H 32.643  24.009   5.189  0.4170
1    H 32.145  23.049   6.287  0.4170
8    O 25.422  39.381  18.199 -0.8340
1    H 25.764  39.045  17.325  0.4170
1    H 25.090  40.269  17.889  0.4170
8    O 11.146  14.441   4.097 -0.8340
1    H 11.776  14.001   3.519  0.4170
1    H 11.687  14.546   4.889  0.4170
8    O 39.334  21.942   6.432 -0.8340
1    H 40.245  22.315   6.585  0.4170
1    H 38.809  22.807   6.544  0.4170
8    O 18.567  12.349  29.955 -0.8340
1    H 18.204  12.587  29.060  0.4170
1    H 18.887  11.467  29.723  0.4170
8    O 38.332  23.876  14.801 -0.8340
1    H 39.094  23.352  14.423  0.4170
1    H 38.600  24.756  14.540  0.4170
8    O 26.695   5.577  32.521 -0.8340
1    H 26.818   5.501  31.566  0.4170
1    H 26.065   4.826  32.665  0.4170
8    O  5.832  22.398  14.796 -0.8340
1    H  6.727  22.300  14.480  0.4170
1    H  5.890  23.322  15.216  0.4170
8    O  5.648   2.878  29.413 -0.8340
1    H  5.640   3.751  29.062  0.4170
1    H  6.088   2.351  28.751  0.4170
8    O 14.749   0.918  27.882 -0.8340
1    H 14.957   0.850  26.933  0.4170
1    H 14.213   0.147  28.051  0.4170
8    O  9.168   4.880  29.931 -0.8340
1    H  9.578   4.246  29.340  0.4170
1    H  8.512   4.362  30.429  0.4170
8    O 10.484  43.191   3.147 -0.8340
1    H 10.748  42.882   2.268  0.4170
1    H 10.135  42.314   3.558  0.4170
8    O 34.510  22.754  41.051 -0.8340
1    H 34.004  23.544  41.382  0.4170
1    H 33.809  22.075  41.350  0.4170
8    O 27.738  13.846  10.372 -0.8340
1    H 27.626  14.869  10.428  0.4170
1    H 28.723  13.822  10.692  0.4170
8    O 16.695  34.777  28.698 -0.8340
1    H 15.830  35.228  28.771  0.4170
1    H 16.477  34.002  29.235  0.4170
8    O 31.388   5.806  14.368 -0.8340
1    H 31.798   4.908  14.134  0.4170
1    H 31.992   6.375  13.849  0.4170
8    O 20.612   8.849  23.588 -0.8340
1    H 21.417   9.275  23.269  0.4170
1    H 20.318   8.489  22.724  0.4170
8    O 23.052  31.747  13.776 -0.8340
1    H 22.546  30.986  14.043  0.4170
1    H 23.887  31.539  14.266  0.4170
8    O 15.679  32.252  30.071 -0.8340
1    H 15.220  32.024  29.204  0.4170
1    H 15.067  31.904  30.721  0.4170
8    O 23.263   9.565   6.844 -0.8340
1    H 22.863  10.439   6.904  0.4170
1    H 24.117   9.715   6.530  0.4170
8    O 38.265  22.075  19.344 -0.8340
1    H 38.572  21.942  20.287  0.4170
1    H 39.033  22.480  18.952  0.4170
8    O 15.103  20.024  42.731 -0.8340
1    H 14.417  19.849  42.039  0.4170
1    H 14.591  20.624  43.299  0.4170
8    O 14.078  19.645  22.980 -0.8340
1    H 13.206  19.764  23.458  0.4170
1    H 14.030  18.696  22.762  0.4170
8    O  4.905  27.482  19.043 -0.8340
1    H  5.723  27.073  18.667  0.4170
1    H  4.373  27.489  18.183  0.4170
8    O  0.813  11.703   5.156 -0.8340
1    H  0.869  11.073   5.888  0.4170
1    H -0.108  12.014   5.378  0.4170
8    O 40.917  26.832  31.486 -0.8340
1    H 41.436  27.453  30.944  0.4170
1    H 40.029  27.168  31.278  0.4170
8    O 29.321  14.493  38.628 -0.8340
1    H 29.642  14.053  37.828  0.4170
1    H 28.378  14.516  38.386  0.4170
8    O 22.731  12.328  24.274 -0.8340
1    H 22.158  12.038  25.004  0.4170
1    H 22.671  11.449  23.745  0.4170
8    O 25.833  16.541  29.372 -0.8340
1    H 25.377  15.851  29.907  0.4170
1    H 25.064  17.028  29.067  0.4170
8    O 33.292  25.216  23.167 -0.8340
1    H 33.631  26.103  23.423  0.4170
1    H 33.979  24.940  22.547  0.4170
8    O  2.886  22.261   0.238 -0.8340
1    H  2.096  22.787   0.614  0.4170
1    H  3.561  22.902   0.165  0.4170
8    O 21.310  32.411  21.104 -0.8340
1    H 20.511  32.493  20.510  0.4170
1    H 21.604  31.541  20.800  0.4170
8    O 35.254  38.321  15.528 -0.8340
1    H 34.482  38.202  14.900  0.4170
1    H 35.720  37.471  15.501  0.4170
8    O  3.323   4.467  23.166 -0.8340
1    H  4.140   5.039  22.913  0.4170
1    H  3.354   4.666  24.127  0.4170
8    O 32.975  23.696  25.390 -0.8340
1    H 33.487  22.921  24.961  0.4170
1    H 32.957  24.279  24.616  0.4170
8    O 25.233  15.994  20.924 -0.8340
1    H 24.577  16.610  21.258  0.4170
1    H 25.290  16.294  19.971  0.4170
8    O  4.023  10.514   9.571 -0.8340
1    H  4.958  10.706   9.743  0.4170
1    H  3.644  11.341   9.228  0.4170
8    O 18.366  29.891  22.312 -0.8340
1    H 17.629  29.394  22.665  0.4170
1    H 18.563  29.404  21.438  0.4170
8    O 25.259  23.059   9.601 -0.8340
1    H 24.587  23.815   9.565  0.4170
1    H 24.931  22.663   8.729  0.4170
8    O 39.567   5.730   2.157 -0.8340
1    H 39.312   5.967   1.246  0.4170
1    H 38.922   6.164   2.714  0.4170
8    O  7.854  18.826   5.694 -0.8340
1    H  8.133  18.151   5.035  0.4170
1    H  7.936  19.638   5.137  0.4170
8    O 17.298  39.333  39.527 -0.8340
1    H 18.027  39.641  40.055  0.4170
1    H 17.156  38.418  39.829  0.4170
8    O 38.954   2.425  16.260 -0.8340
1    H 39.546   2.022  15.630  0.4170
1    H 38.447   2.979  15.649  0.4170
8    O 26.367   6.123   1.720 -0.8340
1    H 26.658   5.671   0.889  0.4170
1    H 26.122   5.321   2.266  0.4170
8    O 40.934  16.579  40.120 -0.8340
1    H 40.380  15.762  40.104  0.4170
1    H 41.091  16.732  39.174  0.4170
8    O 12.778  26.553  11.818 -0.8340
1    H 12.771  25.941  12.623  0.4170
1    H 11.938  26.218  11.414  0.4170
8    O 28.190  18.316  41.667 -0.8340
1    H 27.646  18.922  41.149  0.4170
1    H 27.551  17.600  41.876  0.4170
8    O 16.584  15.945  40.584 -0.8340
1    H 16.210  15.001  40.684  0.4170
1    H 17.413  15.719  40.134  0.4170
8    O 36.259   0.435  26.982 -0.8340
1    H 36.591  -0.365  26.659  0.4170
1    H 36.821   0.446  27.834  0.4170
8    O 41.528  24.657  24.843 -0.8340
1    H 40.864  24.008  25.175  0.4170
1    H 42.254  24.070  24.655  0.4170
8    O 19.552  11.366   3.551 -0.8340
1    H 19.594  10.423   3.544  0.4170
1    H 19.882  11.595   2.705  0.4170
8    O 42.778   2.211  22.538 -0.8340
1    H 42.842   1.329  22.115  0.4170
1    H 42.702   1.997  23.491  0.4170
8    O 22.096   8.699   1.898 -0.8340
1    H 21.668   7.954   2.375  0.4170
1    H 23.011   8.404   1.840  0.4170
8    O 34.486   2.653   4.938 -0.8340
1    H 34.036   3.467   5.305  0.4170
1    H 34.074   1.982   5.541  0.4170
8    O 11.703  23.149   2.113 -0.8340
1    H 10.943  23.308   2.672  0.4170
1    H 12.186  24.020   2.187  0.4170
8    O  5.385  23.077   3.135 -0.8340
1    H  4.681  22.410   3.086  0.4170
1    H  5.272  23.501   2.255  0.4170
8    O 13.651  13.231  19.653 -0.8340
1    H 14.377  12.834  20.129  0.4170
1    H 14.101  13.535  18.838  0.4170
8    O 33.151   2.664   7.691 -0.8340
1    H 33.746   2.188   8.322  0.4170
1    H 32.501   2.011   7.552  0.4170
8    O 20.764  18.795  30.545 -0.8340
1    H 20.442  19.449  31.201  0.4170
1    H 21.670  18.669  30.876  0.4170
8    O 10.220   0.426   9.636 -0.8340
1    H 10.015  -0.405  10.221  0.4170
1    H  9.560   0.239   8.968  0.4170
8    O  0.799  23.675   1.033 -0.8340
1    H -0.031  23.405   1.490  0.4170
1    H  1.185  24.292   1.717  0.4170
8    O  4.929  13.007  34.641 -0.8340
1    H  5.573  13.245  33.942  0.4170
1    H  4.425  12.260  34.219  0.4170
8    O 37.729  30.026  36.522 -0.8340
1    H 37.727  29.574  35.656  0.4170
1    H 36.816  29.726  36.849  0.4170
8    O 42.034  23.793  34.395 -0.8340
1    H 42.357  23.296  35.162  0.4170
1    H 41.649  23.023  33.894  0.4170
8    O 37.089  38.030  33.945 -0.8340
1    H 37.916  38.442  33.577  0.4170
1    H 37.032  38.632  34.763  0.4170
8    O  4.043  15.134  12.207 -0.8340
1    H  4.294  14.301  12.618  0.4170
1    H  3.703  15.626  12.988  0.4170
8    O 27.649  17.286   8.208 -0.8340
1    H 26.830  16.941   7.824  0.4170
1    H 27.760  18.088   7.701  0.4170
8    O 13.182  36.605   9.632 -0.8340
1    H 12.356  36.627   9.148  0.4170
1    H 13.753  37.282   9.149  0.4170
8    O  3.419  26.207   1.089 -0.8340
1    H  2.829  25.899   1.820  0.4170
1    H  2.902  27.057   0.921  0.4170
8    O 39.242  12.130  11.758 -0.8340
1    H 39.713  12.935  11.962  0.4170
1    H 38.720  11.968  12.586  0.4170
8    O  1.627  41.438  42.301 -0.8340
1    H  2.179  41.247  41.442  0.4170
1    H  1.049  42.101  41.931  0.4170
8    O  3.493  26.121  34.710 -0.8340
1    H  3.033  26.067  35.565  0.4170
1    H  2.786  25.908  34.047  0.4170
8    O  9.207  13.626  31.854 -0.8340
1    H  9.403  12.752  31.508  0.4170
1    H  9.594  14.245  31.217  0.4170
8    O 10.651   0.914  26.502 -0.8340
1    H 11.357   0.826  25.785  0.4170
1    H 10.033   0.201  26.157  0.4170
8    O 16.268  26.739   4.258 -0.8340
1    H 16.044  26.963   3.322  0.4170
1    H 15.359  26.826   4.632  0.4170
8    O  4.772   3.435   1.320 -0.8340
1    H  4.506   4.226   0.671  0.4170
1    H  5.713   3.403   1.057  0.4170
8    O  3.376  31.516  27.183 -0.8340
1    H  3.952  32.112  27.708  0.4170
1    H  4.059  31.135  26.573  0.4170
8    O 25.080  10.623  42.084 -0.8340
1    H 25.700  11.028  42.677  0.4170
1    H 25.611  10.694  41.218  0.4170
8    O  8.898  21.043  18.513 -0.8340
1    H  7.884  20.899  18.627  0.4170
1    H  8.821  21.409  17.616  0.4170
8    O  8.082  17.183  19.239 -0.8340
1    H  7.576  17.270  18.451  0.4170
1    H  7.738  16.322  19.580  0.4170
8    O -0.381  14.621  24.509 -0.8340
1    H -0.082  15.304  25.231  0.4170
1    H  0.574  14.520  24.126  0.4170
8    O 10.377  39.299  21.831 -0.8340
1    H  9.428  39.180  22.079  0.4170
1    H 10.381  40.257  21.839  0.4170
8    O 19.685   7.844  21.039 -0.8340
1    H 20.357   7.397  20.479  0.4170
1    H 18.863   7.376  20.699  0.4170
8    O 31.497  10.566  29.792 -0.8340
1    H 31.524  10.748  28.817  0.4170
1    H 31.183   9.580  29.662  0.4170
8    O 39.132  18.059  13.945 -0.8340
1    H 38.582  17.503  14.545  0.4170
1    H 38.400  18.311  13.330  0.4170
8    O 36.472  26.651   2.619 -0.8340
1    H 35.914  26.898   3.303  0.4170
1    H 36.270  25.707   2.403  0.4170
8    O 17.755   1.206  24.003 -0.8340
1    H 18.166   0.686  24.730  0.4170
1    H 18.493   1.768  23.728  0.4170
8    O 41.991  17.562   8.826 -0.8340
1    H 41.519  18.166   8.206  0.4170
1    H 42.016  16.742   8.253  0.4170
8    O 10.816  37.732  39.399 -0.8340
1    H 11.400  38.067  40.071  0.4170
1    H 10.824  36.798  39.476  0.4170
8    O 26.703  19.288   1.631 -0.8340
1    H 27.497  19.088   1.083  0.4170
1    H 27.087  19.933   2.305  0.4170
8    O  3.510   8.241  42.363 -0.8340
1    H  3.460   8.836  41.562  0.4170
1    H  2.527   7.933  42.241  0.4170
8    O 19.156  10.939  33.031 -0.8340
1    H 18.198  11.071  33.067  0.4170
1    H 19.475  11.688  33.661  0.4170
8    O 42.216   4.958  25.401 -0.8340
1    H 42.924   4.387  25.696  0.4170
1    H 41.899   4.513  24.597  0.4170
8    O 25.834  26.172  14.196 -0.8340
1    H 26.054  25.206  14.317  0.4170
1    H 26.723  26.557  14.364  0.4170
8    O 26.889   9.343  19.798 -0.8340
1    H 26.267  10.029  19.483  0.4170
1    H 27.715   9.838  19.708  0.4170
8    O 35.372  29.336  11.405 -0.8340
1    H 36.282  28.995  11.617  0.4170
1    H 35.372  29.132  10.453  0.4170
8    O  0.982  37.187  30.816 -0.8340
1    H  0.300  36.580  30.541  0.4170
1    H  1.645  37.128  30.135  0.4170
8    O 11.947  24.340  19.674 -0.8340
1    H 12.030  25.196  19.944  0.4170
1    H 12.151  23.813  20.491  0.4170
8    O 39.931   5.143  27.167 -0.8340
1    H 39.425   5.673  26.470  0.4170
1    H 40.783   5.058  26.661  0.4170
8    O  6.624  31.057  10.812 -0.8340
1    H  6.775  30.317  10.188  0.4170
1    H  5.636  31.119  10.697  0.4170
8    O 15.913  31.083   7.756 -0.8340
1    H 16.812  31.357   7.979  0.4170
1    H 16.040  30.154   8.192  0.4170
8    O  8.289   6.825  26.737 -0.8340
1    H  8.482   7.758  27.042  0.4170
1    H  9.201   6.493  26.731  0.4170
8    O 17.188  10.450  26.553 -0.8340
1    H 18.036  10.370  26.058  0.4170
1    H 17.372  11.367  26.973  0.4170
8    O 23.696   1.144  34.239 -0.8340
1    H 23.877   0.556  35.024  0.4170
1    H 22.767   0.878  34.053  0.4170
8    O 16.322  38.115  31.202 -0.8340
1    H 16.061  38.984  30.886  0.4170
1    H 15.400  37.708  31.321  0.4170
8    O 39.104   7.242   9.860 -0.8340
1    H 39.926   6.957  10.314  0.4170
1    H 38.694   7.780  10.572  0.4170
8    O 26.462   4.362  27.333 -0.8340
1    H 25.540   4.083  27.284  0.4170
1    H 26.741   3.846  28.087  0.4170
8    O 39.958  25.623  19.531 -0.8340
1    H 40.667  24.988  19.175  0.4170
1    H 39.995  25.269  20.474  0.4170
8    O 10.816  25.051  11.084 -0.8340
1    H 10.028  24.453  10.984  0.4170
1    H 11.494  24.365  10.829  0.4170
8    O 25.880  26.019  27.153 -0.8340
1    H 26.473  26.363  27.791  0.4170
1    H 25.533  25.185  27.639  0.4170
8    O  0.737   9.475   6.828 -0.8340
1    H  0.355   8.730   7.399  0.4170
1    H  1.177   8.956   6.119  0.4170
8    O 11.842  18.069  38.332 -0.8340
1    H 11.137  18.707  38.079  0.4170
1    H 12.379  17.965  37.521  0.4170
8    O 13.012   6.627   0.797 -0.8340
1    H 13.902   6.307   1.138  0.4170
1    H 12.473   5.839   0.911  0.4170
8    O  7.743  12.312  19.657 -0.8340
1    H  8.445  11.757  19.276  0.4170
1    H  7.047  11.651  19.731  0.4170
8    O  2.163  18.301   8.764 -0.8340
1    H  2.394  17.791   9.528  0.4170
1    H  1.469  17.684   8.403  0.4170
8    O 19.257  15.777   9.167 -0.8340
1    H 18.521  16.419   9.012  0.4170
1    H 19.404  15.836  10.133  0.4170
8    O  1.064   8.947  38.625 -0.8340
1    H  1.190   8.311  37.840  0.4170
1    H  0.828   9.752  38.085  0.4170
8    O 30.620  10.765  38.858 -0.8340
1    H 30.739  10.436  38.000  0.4170
1    H 31.075  11.612  38.918  0.4170
8    O  1.064  25.398  19.285 -0.8340
1    H  1.508  24.470  19.398  0.4170
1    H  0.986  25.380  18.315  0.4170
8    O 41.860  29.458  17.620 -0.8340
1    H 41.095  28.845  17.552  0.4170
1    H 42.306  29.001  18.332  0.4170
8    O 41.543  34.905   9.044 -0.8340
1    H 41.287  34.540   8.183  0.4170
1    H 41.333  35.834   8.983  0.4170
8    O  0.363  19.498  13.252 -0.8340
1    H -0.416  18.992  12.857  0.4170
1    H  0.264  19.344  14.201  0.4170
8    O 33.561  10.070  31.435 -0.8340
1    H 33.147  10.390  30.657  0.4170
1    H 34.284   9.493  31.042  0.4170
8    O 41.382   8.420  16.028 -0.8340
1    H 41.588   7.459  16.084  0.4170
1    H 42.255   8.808  16.280  0.4170
8    O  3.210   9.298  15.015 -0.8340
1    H  3.186   9.463  14.029  0.4170
1    H  4.033   8.817  15.078  0.4170
8    O 42.551   0.278  41.218 -0.8340
1    H 42.815   0.275  40.280  0.4170
1    H 43.102   1.078  41.506  0.4170
8    O 31.474  40.157  33.537 -0.8340
1    H 31.259  41.009  33.983  0.4170
1    H 31.127  39.515  34.221  0.4170
8    O  2.851  34.896  35.478 -0.8340
1    H  3.058  34.412  34.677  0.4170
1    H  3.605  34.601  36.050  0.4170
8    O 33.196   6.621  27.042 -0.8340
1    H 32.236   6.782  27.360  0.4170
1    H 33.148   5.729  26.655  0.4170
8    O 42.742  18.079  19.417 -0.8340
1    H 41.894  18.154  19.821  0.4170
1    H 43.109  17.353  19.929  0.4170
8    O 16.537  34.976  12.773 -0.8340
1    H 17.237  34.326  12.588  0.4170
1    H 15.951  34.847  11.994  0.4170
8    O 39.398  16.644  25.862 -0.8340
1    H 40.297  17.001  25.716  0.4170
1    H 39.429  15.759  25.384  0.4170
8    O 18.302   5.202   3.906 -0.8340
1    H 18.427   4.512   3.218  0.4170
1    H 18.402   4.650   4.687  0.4170
8    O 15.811  33.888  -0.325 -0.8340
1    H 16.481  33.476   0.331  0.4170
1    H 15.734  34.750   0.128  0.4170
8    O 19.792  19.213  33.534 -0.8340
1    H 20.765  19.296  33.321  0.4170
1    H 19.936  19.368  34.534  0.4170
8    O 15.545  40.896  24.920 -0.8340
1    H 16.123  40.559  25.564  0.4170
1    H 14.949  40.218  24.695  0.4170
8    O  2.028  28.936  27.013 -0.8340
1    H  2.781  28.935  26.526  0.4170
1    H  2.239  29.619  27.686  0.4170
8    O 14.079  36.898  39.913 -0.8340
1    H 14.990  37.046  40.217  0.4170
1    H 14.009  35.942  40.181  0.4170
8    O 10.179   2.642  28.505 -0.8340
1    H 11.048   2.355  28.911  0.4170
1    H 10.215   2.008  27.710  0.4170
8    O  0.109  22.631   9.219 -0.8340
1    H  0.748  21.851   9.054  0.4170
1    H  0.648  23.168   9.810  0.4170
8    O 18.233  38.282  24.468 -0.8340
1    H 18.978  38.957  24.212  0.4170
1    H 17.647  38.532  23.697  0.4170
8    O 17.142   3.556  27.871 -0.8340
1    H 17.716   3.911  27.087  0.4170
1    H 17.718   3.985  28.585  0.4170
8    O 22.311  37.829   6.781 -0.8340
1    H 21.911  36.998   6.540  0.4170
1    H 22.859  38.064   6.064  0.4170
8    O 38.180  13.145  28.251 -0.8340
1    H 39.081  13.582  28.433  0.4170
1    H 37.724  13.967  27.977  0.4170
8    O 17.813   0.800  17.738 -0.8340
1    H 17.044   0.237  17.897  0.4170
1    H 17.718   0.906  16.770  0.4170
8    O 38.658  11.357  14.649 -0.8340
1    H 38.656  10.979  15.545  0.4170
1    H 38.743  10.552  14.144  0.4170
8    O 10.016  22.930   4.036 -0.8340
1    H  9.345  22.263   3.958  0.4170
1    H 10.642  22.494   4.669  0.4170
8    O 31.784  40.931  11.868 -0.8340
1    H 31.948  40.730  12.812  0.4170
1    H 31.095  40.239  11.701  0.4170
8    O 31.264  16.743  36.066 -0.8340
1    H 30.406  16.908  35.616  0.4170
1    H 31.033  15.897  36.443  0.4170
8    O  2.760  16.126  27.127 -0.8340
1    H  2.407  16.430  26.287  0.4170
1    H  2.226  16.710  27.697  0.4170
8    O 24.229   7.248   6.013 -0.8340
1    H 23.707   7.963   5.618  0.4170
1    H 23.902   7.312   6.920  0.4170
8    O  9.276   6.853   8.327 -0.8340
1    H  9.197   5.882   8.152  0.4170
1    H  8.473   7.028   8.846  0.4170
8    O 22.272  24.629  26.557 -0.8340
1    H 23.000  24.207  26.041  0.4170
1    H 22.635  24.675  27.435  0.4170
8    O 41.620  10.332  19.172 -0.8340
1    H 41.929  11.135  18.710  0.4170
1    H 42.502   9.870  19.215  0.4170
8    O 10.996  34.760  14.553 -0.8340
1    H 10.850  33.792  14.707  0.4170
1    H 11.818  34.701  13.960  0.4170
8    O 26.273  11.033  22.019 -0.8340
1    H 26.373  11.208  21.032  0.4170
1    H 26.338  12.040  22.273  0.4170
8    O 16.921   4.000  16.313 -0.8340
1    H 16.027   4.437  16.297  0.4170
1    H 16.607   3.132  15.875  0.4170
8    O  2.082  42.818  13.306 -0.8340
1    H  2.343  43.056  12.429  0.4170
1    H  1.992  41.859  13.397  0.4170
8    O 20.108  17.490   6.994 -0.8340
1    H 19.446  18.105   6.834  0.4170
1    H 19.751  16.798   7.528  0.4170
8    O 31.886  34.496  18.790 -0.8340
1    H 31.758  34.819  17.848  0.4170
1    H 31.959  35.413  19.174  0.4170
8    O 35.462  28.875  37.366 -0.8340
1    H 34.807  29.409  37.889  0.4170
1    H 35.142  27.986  37.608  0.4170
8    O 18.962  29.407  28.902 -0.8340
1    H 19.710  29.227  29.478  0.4170
1    H 18.576  30.164  29.453  0.4170
8    O 20.773   8.821  15.435 -0.8340
1    H 21.121   9.136  16.263  0.4170
1    H 21.509   8.271  15.127  0.4170
8    O 13.801  39.660  22.565 -0.8340
1    H 13.404  40.548  22.379  0.4170
1    H 13.112  39.135  22.084  0.4170
8    O 19.414  33.987   3.510 -0.8340
1    H 19.685  33.219   4.002  0.4170
1    H 20.316  34.400   3.383  0.4170
8    O  9.190  39.028  14.926 -0.8340
1    H  9.122  38.722  14.009  0.4170
1    H  9.264  38.205  15.478  0.4170
8    O 35.537   5.900  30.476 -0.8340
1    H 35.264   6.315  31.313  0.4170
1    H 35.773   6.695  29.908  0.4170
8    O 27.628  26.458  28.983 -0.8340
1    H 27.953  26.532  29.892  0.4170
1    H 28.436  26.142  28.561  0.4170
8    O  9.925  27.463   9.452 -0.8340
1    H 10.098  26.610   9.960  0.4170
1    H  9.101  27.192   8.968  0.4170
8    O 13.703  26.318  15.311 -0.8340
1    H 12.907  26.565  15.795  0.4170
1    H 13.384  25.604  14.789  0.4170
8    O 13.000  37.415  16.263 -0.8340
1    H 13.585  36.810  15.716  0.4170
1    H 13.575  37.393  17.036  0.4170
8    O 11.873   2.870   3.572 -0.8340
1    H 11.349   2.057   3.368  0.4170
1    H 12.724   2.429   3.825  0.4170
8    O 40.118  19.860  24.353 -0.8340
1    H 40.610  20.039  25.185  0.4170
1    H 39.254  19.826  24.722  0.4170
8    O 15.449  21.850  22.154 -0.8340
1    H 14.917  21.072  22.418  0.4170
1    H 16.351  21.467  22.224  0.4170
8    O 29.296  36.128   8.788 -0.8340
1    H 30.178  36.268   9.136  0.4170
1    H 28.863  35.815   9.630  0.4170
8    O 11.999  37.906  11.817 -0.8340
1    H 12.574  37.697  11.025  0.4170
1    H 12.386  37.317  12.490  0.4170
8    O  1.143  35.187  24.051 -0.8340
1    H  0.414  35.166  24.669  0.4170
1    H  1.765  34.573  24.509  0.4170
8    O 11.874   8.478  33.448 -0.8340
1    H 11.594   8.460  34.395  0.4170
1    H 12.419   7.699  33.361  0.4170
8    O  8.723  23.684  10.253 -0.8340
1    H  8.232  23.694  11.021  0.4170
1    H  8.198  23.060   9.654  0.4170
8    O  7.259  17.289  26.770 -0.8340
1    H  7.884  17.264  27.534  0.4170
1    H  7.921  16.860  26.091  0.4170
8    O 11.514   2.531  11.914 -0.8340
1    H 10.733   3.106  12.053  0.4170
1    H 11.364   2.244  10.987  0.4170
8    O 41.801  37.011  24.840 -0.8340
1    H 42.263  36.864  24.037  0.4170
1    H 41.033  37.514  24.627  0.4170
8    O 39.651  29.814  28.047 -0.8340
1    H 40.303  29.288  27.528  0.4170
1    H 39.557  29.291  28.819  0.4170
8    O 10.409  27.616   3.571 -0.8340
1    H  9.580  28.218   3.409  0.4170
1    H 10.979  28.378   3.856  0.4170
8    O  4.448  12.547  12.626 -0.8340
1    H  4.098  11.831  13.082  0.4170
1    H  5.181  12.125  12.127  0.4170
8    O 30.475  42.918  38.609 -0.8340
1    H 31.361  42.503  38.677  0.4170
1    H 30.384  43.103  37.687  0.4170
8    O 18.451  31.510   9.064 -0.8340
1    H 19.332  31.727   9.368  0.4170
1    H 18.684  30.787   8.460  0.4170
8    O 23.723  31.214  10.236 -0.8340
1    H 23.985  32.039   9.889  0.4170
1    H 24.041  31.258  11.171  0.4170
8    O 18.177   6.634  13.302 -0.8340
1    H 19.067   6.228  13.130  0.4170
1    H 18.347   7.564  12.999  0.4170
8    O  9.672  42.617  32.462 -0.8340
1    H  8.905  42.286  31.931  0.4170
1    H  9.571  43.547  32.249  0.4170
8    O 42.601   3.912  13.131 -0.8340
1    H 43.417   3.600  13.676  0.4170
1    H 42.509   4.770  13.519  0.4170
8    O 25.805   3.580  38.304 -0.8340
1    H 25.774   4.108  37.530  0.4170
1    H 25.217   2.847  38.027  0.4170
8    O 17.432  39.735   5.536 -0.8340
1    H 18.032  39.240   6.145  0.4170
1    H 17.543  39.161   4.754  0.4170
8    O  2.565  32.150  32.684 -0.8340
1    H  1.639  32.556  32.670  0.4170
1    H  2.333  31.426  33.372  0.4170
8    O  2.705   4.114  28.804 -0.8340
1    H  3.140   4.959  28.945  0.4170
1    H  3.275   3.682  28.117  0.4170
8    O 30.086  32.442  25.973 -0.8340
1    H 30.630  33.224  26.036  0.4170
1    H 30.376  32.047  25.118  0.4170
8    O 11.121  32.940  27.040 -0.8340
1    H 11.222  32.082  27.505  0.4170
1    H 11.620  33.534  27.661  0.4170
8    O 33.252   4.053  26.324 -0.8340
1    H 33.954   3.377  25.993  0.4170
1    H 32.608   3.425  26.660  0.4170
8    O 15.247  20.271  12.745 -0.8340
1    H 14.420  19.829  13.113  0.4170
1    H 15.449  19.682  12.022  0.4170
8    O 38.893  36.594  26.783 -0.8340
1    H 39.439  36.753  26.014  0.4170
1    H 38.099  37.116  26.628  0.4170
8    O  0.725  21.509  26.071 -0.8340
1    H  0.839  22.122  25.315  0.4170
1    H  1.623  21.060  26.027  0.4170
8    O 23.956   1.327  37.739 -0.8340
1    H 24.042   0.581  37.093  0.4170
1    H 23.973   0.784  38.555  0.4170
8    O  2.540  12.826  18.409 -0.8340
1    H  2.752  11.836  18.345  0.4170
1    H  2.273  12.979  17.428  0.4170
8    O  4.467  15.829  31.647 -0.8340
1    H  5.089  16.224  32.408  0.4170
1    H  3.708  15.641  32.259  0.4170
8    O  9.497   1.476  15.357 -0.8340
1    H 10.379   1.898  15.525  0.4170
1    H  9.777   0.747  14.678  0.4170
8    O 25.421   3.114  21.262 -0.8340
1    H 26.316   3.303  21.018  0.4170
1    H 24.967   2.764  20.425  0.4170
8    O 37.909   2.359  32.956 -0.8340
1    H 37.005   2.564  32.749  0.4170
1    H 38.457   2.876  32.403  0.4170
8    O 29.781  39.576  41.079 -0.8340
1    H 29.048  39.431  40.427  0.4170
1    H 29.521  40.361  41.550  0.4170
8    O 31.247  33.092   1.635 -0.8340
1    H 30.430  32.645   1.927  0.4170
1    H 31.601  33.357   2.499  0.4170
8    O  6.389  17.144   9.857 -0.8340
1    H  5.929  16.295   9.774  0.4170
1    H  5.869  17.507  10.634  0.4170
8    O 39.134   8.455  14.648 -0.8340
1    H 40.012   8.435  15.150  0.4170
1    H 38.601   7.947  15.257  0.4170
8    O 15.114   6.120   8.167 -0.8340
1    H 16.071   6.303   8.514  0.4170
1    H 14.727   6.971   8.468  0.4170
8    O 37.546   7.171   3.475 -0.8340
1    H 37.682   8.203   3.483  0.4170
1    H 37.045   7.164   4.317  0.4170
8    O 12.644  32.235  31.671 -0.8340
1    H 12.809  31.326  31.376  0.4170
1    H 11.851  32.123  32.268  0.4170
8    O 23.917  18.403  28.217 -0.8340
1    H 24.747  18.482  27.623  0.4170
1    H 24.012  19.299  28.685  0.4170
8    O 28.761  21.655  42.462 -0.8340
1    H 29.762  21.914  42.607  0.4170
1    H 28.440  22.309  43.068  0.4170
8    O 36.694  37.233  18.538 -0.8340
1    H 37.022  36.741  17.738  0.4170
1    H 35.939  36.648  18.717  0.4170
8    O  9.312  36.071  13.237 -0.8340
1    H  8.578  35.480  13.176  0.4170
1    H 10.000  35.569  13.733  0.4170
8    O 27.989  14.029  32.301 -0.8340
1    H 27.128  14.277  31.894  0.4170
1    H 28.346  13.444  31.617  0.4170
8    O 37.659  27.051  10.083 -0.8340
1    H 37.653  27.867  10.657  0.4170
1    H 37.435  26.415  10.740  0.4170
8    O 29.978  22.411  16.276 -0.8340
1    H 29.253  22.493  16.916  0.4170
1    H 30.723  22.815  16.626  0.4170
8    O 31.098  21.797   6.492 -0.8340
1    H 30.283  21.672   7.055  0.4170
1    H 31.317  20.851   6.328  0.4170
8    O  2.732  26.915  31.117 -0.8340
1    H  2.559  26.330  30.368  0.4170
1    H  3.300  27.658  30.680  0.4170
8    O 34.071  42.281  11.740 -0.8340
1    H 34.843  41.675  11.557  0.4170
1    H 33.388  41.618  11.840  0.4170
8    O 27.769   8.256  30.731 -0.8340
1    H 27.781   7.460  30.220  0.4170
1    H 27.311   8.012  31.511  0.4170
8    O  3.408  40.186  26.879 -0.8340
1    H  3.007  39.357  27.250  0.4170
1    H  3.707  40.661  27.685  0.4170
8    O 14.075   4.350  10.675 -0.8340
1    H 14.364   4.838   9.890  0.4170
1    H 14.862   4.323  11.245  0.4170
8    O  1.908  32.798   8.740 -0.8340
1    H  1.021  32.641   8.366  0.4170
1    H  1.926  33.792   8.677  0.4170
8    O 27.195  24.941  10.202 -0.8340
1    H 26.661  24.132   9.950  0.4170
1    H 26.470  25.559  10.483  0.4170
8    O 27.624  36.974  25.015 -0.8340
1    H 27.940  37.852  24.658  0.4170
1    H 26.798  36.895  24.436  0.4170
8    O  9.474  34.517  31.562 -0.8340
1    H 10.029  33.891  31.277  0.4170
1    H  8.909  34.133  32.268  0.4170
8    O  9.333  21.392   8.812 -0.8340
1    H  9.392  20.442   8.920  0.4170
1    H 10.328  21.595   8.665  0.4170
8    O  3.521  17.535  19.995 -0.8340
1    H  3.928  18.382  20.213  0.4170
1    H  3.550  17.117  20.904  0.4170
8    O 15.721   9.788  39.724 -0.8340
1    H 14.891  10.061  40.100  0.4170
1    H 16.043   9.220  40.436  0.4170
8    O  6.399  20.601  18.808 -0.8340
1    H  5.872  20.468  19.612  0.4170
1    H  5.725  21.188  18.316  0.4170
8    O 18.941  19.914  28.565 -0.8340
1    H 19.570  20.540  28.136  0.4170
1    H 19.494  19.302  29.012  0.4170
8    O 16.970  17.595  31.432 -0.8340
1    H 16.532  16.948  30.823  0.4170
1    H 16.706  17.188  32.290  0.4170
8    O  2.154  25.789  36.915 -0.8340
1    H  1.284  26.066  36.608  0.4170
1    H  2.023  25.831  37.890  0.4170
8    O 26.028  18.787  26.610 -0.8340
1    H 26.994  18.857  26.709  0.4170
1    H 26.006  18.425  25.707  0.4170
8    O  3.024  28.678  20.584 -0.8340
1    H  3.690  29.422  20.815  0.4170
1    H  3.507  28.135  19.995  0.4170
8    O  7.716   3.179  27.022 -0.8340
1    H  8.340   3.138  26.209  0.4170
1    H  7.858   4.079  27.313  0.4170
8    O 10.822  11.943  38.572 -0.8340
1    H 10.287  12.478  37.986  0.4170
1    H 10.788  12.432  39.398  0.4170
8    O  2.557  12.792  37.632 -0.8340
1    H  1.902  13.285  37.043  0.4170
1    H  1.930  12.134  37.994  0.4170
8    O 15.536  16.321  28.903 -0.8340
1    H 16.051  17.140  28.569  0.4170
1    H 14.695  16.837  29.134  0.4170
8    O 35.632  41.316  22.811 -0.8340
1    H 36.075  40.547  23.168  0.4170
1    H 35.319  40.995  22.006  0.4170
8    O 42.100  17.704  31.739 -0.8340
1    H 42.343  18.612  31.578  0.4170
1    H 41.274  17.795  32.245  0.4170
8    O 14.396   5.144  16.608 -0.8340
1    H 14.271   4.818  17.542  0.4170
1    H 13.640   5.745  16.548  0.4170
8    O  1.146  15.829  15.305 -0.8340
1    H  0.489  16.161  14.713  0.4170
1    H  0.573  15.369  15.947  0.4170
8    O 36.917  37.114   7.403 -0.8340
1    H 36.921  38.047   7.178  0.4170
1    H 37.659  36.755   6.913  0.4170
8    O 14.047  11.435  25.833 -0.8340
1    H 14.923  11.390  26.230  0.4170
1    H 14.040  10.873  25.058  0.4170
8    O  4.603  17.041   1.904 -0.8340
1    H  4.938  16.516   2.694  0.4170
1    H  4.422  17.887   2.290  0.4170
8    O 28.288  27.493  14.136 -0.8340
1    H 27.973  27.740  13.222  0.4170
1    H 28.150  28.407  14.525  0.4170
8    O 39.549  26.106  13.589 -0.8340
1    H 38.934  26.801  13.799  0.4170
1    H 40.374  26.410  14.044  0.4170
8    O  4.426   5.845   5.195 -0.8340
1    H  3.905   5.276   5.763  0.4170
1    H  5.045   5.286   4.724  0.4170
8    O 35.218   3.239  35.118 -0.8340
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1    H 35.325   3.360  34.151  0.4170
8    O 38.828  36.955   5.434 -0.8340
1    H 38.869  36.869   4.471  0.4170
1    H 39.247  37.784   5.611  0.4170
8    O  1.399  21.020  39.500 -0.8340
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1    H  0.771  21.720  39.394  0.4170
8    O  5.537  31.205  30.503 -0.8340
1    H  5.825  30.989  31.433  0.4170
1    H  6.374  31.304  30.046  0.4170
8    O 25.363  33.225  25.816 -0.8340
1    H 25.726  33.998  26.283  0.4170
1    H 24.856  32.785  26.519  0.4170
8    O 29.009  34.083  16.420 -0.8340
1    H 29.130  33.489  17.201  0.4170
1    H 28.241  33.678  15.961  0.4170
8    O  2.997   1.577   1.822 -0.8340
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1    H  3.688   2.325   1.719  0.4170
8    O 24.494  30.519  20.424 -0.8340
1    H 23.638  30.138  20.734  0.4170
1    H 25.085  29.956  20.903  0.4170
8    O  3.404  35.906  22.254 -0.8340
1    H  3.421  36.110  23.208  0.4170
1    H  2.951  34.985  22.353  0.4170
8    O 25.882   9.957   6.162 -0.8340
1    H 25.932   9.870   5.217  0.4170
1    H 26.542   9.375   6.546  0.4170
8    O  2.119  31.018   0.453 -0.8340
1    H  1.552  31.391  -0.182  0.4170
1    H  3.016  31.368   0.148  0.4170
8    O 34.576  30.018  20.220 -0.8340
1    H 33.619  30.053  20.503  0.4170
1    H 34.993  30.064  21.122  0.4170
8    O 14.897  32.403   5.489 -0.8340
1    H 13.914  32.633   5.657  0.4170
1    H 15.142  31.972   6.326  0.4170
8    O 33.972  37.357  36.345 -0.8340
1    H 34.675  37.413  37.064  0.4170
1    H 33.283  37.821  36.762  0.4170
8    O  4.952  40.180  31.302 -0.8340
1    H  5.853  39.956  31.600  0.4170
1    H  4.435  39.493  31.744  0.4170
8    O 29.234  14.135  28.748 -0.8340
1    H 28.845  14.853  28.196  0.4170
1    H 28.748  13.349  28.299  0.4170
8    O  2.470  37.949  27.576 -0.8340
1    H  3.024  37.298  28.121  0.4170
1    H  1.652  37.415  27.547  0.4170
8    O 33.275  41.240  24.597 -0.8340
1    H 33.908  41.543  23.965  0.4170
1    H 33.693  41.555  25.468  0.4170
8    O 21.795  24.185   6.966 -0.8340
1    H 20.957  23.675   7.197  0.4170
1    H 22.080  23.594   6.242  0.4170
8    O  0.374  19.934  30.626 -0.8340
1    H  1.217  20.249  30.895  0.4170
1    H -0.051  20.732  30.274  0.4170
8    O 20.206  39.408  11.149 -0.8340
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1    H 20.789  38.970  10.508  0.4170
8    O 40.206  15.919  10.727 -0.8340
1    H 40.785  15.847   9.899  0.4170
1    H 40.485  15.121  11.191  0.4170
8    O 37.115  33.201  16.311 -0.8340
1    H 36.565  33.078  15.538  0.4170
1    H 36.855  32.410  16.830  0.4170
8    O 18.041  12.720  27.351 -0.8340
1    H 18.781  13.088  26.736  0.4170
1    H 17.493  13.515  27.326  0.4170
8    O  3.638   1.467  20.194 -0.8340
1    H  4.123   1.377  21.020  0.4170
1    H  2.927   2.085  20.448  0.4170
8    O 29.665  19.549   0.935 -0.8340
1    H 29.602  20.456   0.842  0.4170
1    H 29.304  19.202   0.074  0.4170
8    O 19.553  14.156  31.761 -0.8340
1    H 19.196  13.647  30.992  0.4170
1    H 19.665  15.042  31.317  0.4170
8    O 16.121  22.272  19.376 -0.8340
1    H 15.589  22.266  20.254  0.4170
1    H 16.800  21.608  19.585  0.4170
8    O 17.100  37.202  17.085 -0.8340
1    H 16.212  37.158  17.514  0.4170
1    H 17.045  38.180  16.937  0.4170
8    O 13.471  21.481   7.633 -0.8340
1    H 13.592  21.882   8.530  0.4170
1    H 13.436  20.517   7.964  0.4170
8    O 35.413  11.880  22.601 -0.8340
1    H 35.536  10.938  22.456  0.4170
1    H 36.046  12.285  22.018  0.4170
8    O  7.386  41.106  35.271 -0.8340
1    H  7.318  41.235  34.281  0.4170
1    H  6.517  40.623  35.324  0.4170
8    O 39.745   8.727  28.733 -0.8340
1    H 39.110   9.437  28.921  0.4170
1    H 40.563   9.290  28.648  0.4170
8    O 27.336  12.349  42.747 -0.8340
1    H 28.191  12.459  42.251  0.4170
1    H 27.533  13.014  43.442  0.4170
8    O 40.384  22.633  13.284 -0.8340
1    H 40.163  21.926  12.661  0.4170
1    H 41.164  23.048  12.867  0.4170
8    O  2.685  28.342  40.528 -0.8340
1    H  2.719  27.670  39.812  0.4170
1    H  2.482  29.150  39.985  0.4170
8    O 12.152   1.776  30.580 -0.8340
1    H 12.162   2.142  31.489  0.4170
1    H 12.367   0.788  30.702  0.4170
8    O  6.706   8.041  18.956 -0.8340
1    H  6.289   8.979  19.004  0.4170
1    H  7.111   8.060  19.901  0.4170
8    O 27.008  38.897  10.782 -0.8340
1    H 27.703  38.812  10.103  0.4170
1    H 27.341  38.411  11.524  0.4170
8    O 12.878  23.493  29.951 -0.8340
1    H 12.645  23.422  30.861  0.4170
1    H 13.815  23.759  29.988  0.4170
8    O 11.524  34.888  38.522 -0.8340
1    H 12.300  35.296  38.033  0.4170
1    H 12.046  34.185  39.007  0.4170
8    O  5.101  34.209  36.563 -0.8340
1    H  5.716  34.101  35.811  0.4170
1    H  5.309  35.109  36.836  0.4170
8    O 29.473  11.095  32.048 -0.8340
1    H 29.006  11.137  31.145  0.4170
1    H 30.414  10.987  31.759  0.4170
8    O 41.325  22.666   2.247 -0.8340
1    H 41.079  23.616   2.354  0.4170
1    H 40.448  22.351   1.861  0.4170
8    O  7.531  35.102  25.270 -0.8340
1    H  7.602  34.744  26.174  0.4170
1    H  8.296  34.634  24.854  0.4170
8    O 34.906  33.013  27.632 -0.8340
1    H 34.166  33.352  28.182  0.4170
1    H 35.518  32.685  28.333  0.4170
8    O 40.236  26.644   9.033 -0.8340
1    H 40.053  26.038   9.818  0.4170
1    H 39.471  27.187   9.071  0.4170
8    O 28.005  16.444  10.816 -0.8340
1    H 28.915  16.081  10.867  0.4170
1    H 28.086  16.997   9.977  0.4170
8    O  6.074  28.425   9.861 -0.8340
1    H  6.053  27.520   9.475  0.4170
1    H  6.004  29.005   9.052  0.4170
8    O 32.729  20.848  41.796 -0.8340
1    H 32.051  20.496  41.194  0.4170
1    H 33.364  20.138  41.799  0.4170
8    O 26.334  36.262  14.823 -0.8340
1    H 26.125  35.656  15.590  0.4170
1    H 26.310  35.611  14.066  0.4170
8    O 13.662  12.823   0.218 -0.8340
1    H 14.025  11.945   0.393  0.4170
1    H 14.356  13.113  -0.438  0.4170
8    O 27.517  34.716   6.847 -0.8340
1    H 28.177  35.215   7.366  0.4170
1    H 27.973  33.862   6.835  0.4170
8    O 16.384  14.935  26.910 -0.8340
1    H 16.394  15.682  27.559  0.4170
1    H 15.503  15.034  26.589  0.4170
8    O 39.450  39.261  33.148 -0.8340
1    H 40.177  38.669  33.043  0.4170
1    H 39.516  39.931  32.447  0.4170
8    O 17.508   6.292   9.197 -0.8340
1    H 18.037   5.580   9.577  0.4170
1    H 18.075   7.017   9.607  0.4170
8    O 17.083  42.184   4.008 -0.8340
1    H 17.314  41.290   4.268  0.4170
1    H 17.237  42.642   4.893  0.4170
8    O 21.182   0.263  33.622 -0.8340
1    H 20.291   0.486  33.986  0.4170
1    H 21.183  -0.691  33.803  0.4170
8    O  1.387  25.983  16.660 -0.8340
1    H  1.532  25.885  15.666  0.4170
1    H  2.209  26.467  16.911  0.4170
8    O 23.602  21.770  35.663 -0.8340
1    H 24.530  21.669  35.410  0.4170
1    H 23.410  22.694  35.480  0.4170
8    O 23.986  29.162  31.187 -0.8340
1    H 23.811  30.000  30.688  0.4170
1    H 23.097  28.774  31.270  0.4170
8    O  0.542  36.162   0.887 -0.8340
1    H  0.862  36.425   1.784  0.4170
1    H  0.588  37.115   0.501  0.4170
8    O 23.975  31.743  23.589 -0.8340
1    H 24.426  31.922  24.410  0.4170
1    H 23.260  31.187  23.819  0.4170
8    O  3.153  33.172  16.120 -0.8340
1    H  3.433  32.754  16.967  0.4170
1    H  2.916  32.390  15.607  0.4170
8    O  7.543  18.804  23.205 -0.8340
1    H  7.723  19.058  22.260  0.4170
1    H  7.421  17.829  23.020  0.4170
8    O  5.224  18.147  37.165 -0.8340
1    H  4.954  18.704  37.963  0.4170
1    H  6.179  18.348  37.187  0.4170
8    O 30.747   6.153  17.021 -0.8340
1    H 31.088   7.049  17.148  0.4170
1    H 30.925   5.991  16.068  0.4170
8    O 40.147  31.681  33.681 -0.8340
1    H 40.151  32.078  34.554  0.4170
1    H 40.428  30.732  33.870  0.4170
8    O  2.120   2.646  31.070 -0.8340
1    H  1.811   3.472  31.565  0.4170
1    H  2.559   3.110  30.323  0.4170
8    O 38.428  30.660  22.442 -0.8340
1    H 39.208  30.655  23.057  0.4170
1    H 38.507  29.788  21.946  0.4170
8    O 15.302   1.825  35.431 -0.8340
1    H 15.226   2.561  36.047  0.4170
1    H 15.626   2.269  34.615  0.4170
8    O 26.264  28.772  32.724 -0.8340
1    H 25.534  28.853  32.091  0.4170
1    H 26.776  29.598  32.620  0.4170
8    O 32.300  36.755  29.803 -0.8340
1    H 31.343  36.893  29.665  0.4170
1    H 32.433  37.264  30.634  0.4170
8    O  3.991  25.217   4.323 -0.8340
1    H  4.482  25.829   4.886  0.4170
1    H  4.655  24.658   3.925  0.4170
8    O 11.775   3.153  16.002 -0.8340
1    H 12.371   3.884  16.273  0.4170
1    H 12.272   2.790  15.257  0.4170
8    O 32.567  14.387   8.436 -0.8340
1    H 33.432  14.115   8.742  0.4170
1    H 32.135  13.515   8.506  0.4170
8    O 40.382   3.110   5.464 -0.8340
1    H 39.717   2.915   6.154  0.4170
1    H 40.781   2.207   5.470  0.4170
8    O 42.886  24.564  41.407 -0.8340
1    H 43.210  24.479  42.357  0.4170
1    H 42.182  23.858  41.430  0.4170
8    O 40.932   1.620  14.072 -0.8340
1    H 41.645   1.186  14.572  0.4170
1    H 41.432   2.443  13.748  0.4170
8    O  7.916  22.533  12.631 -0.8340
1    H  7.277  23.229  12.575  0.4170
1    H  7.423  21.813  12.162  0.4170
8    O 19.328  24.304   9.393 -0.8340
1    H 19.967  24.858   8.850  0.4170
1    H 19.410  23.454   8.913  0.4170
8    O 29.839   9.377   5.470 -0.8340
1    H 30.575   9.322   4.886  0.4170
1    H 29.996  10.202   5.962  0.4170
8    O 27.615  26.821  35.789 -0.8340
1    H 28.250  27.266  35.249  0.4170
1    H 26.782  27.240  35.531  0.4170
8    O 25.413  20.196  32.254 -0.8340
1    H 26.157  19.726  31.827  0.4170
1    H 25.761  20.232  33.151  0.4170
8    O  1.992   6.750  14.132 -0.8340
1    H  2.541   6.751  13.337  0.4170
1    H  2.606   6.305  14.786  0.4170
8    O 35.754  16.148  19.367 -0.8340
1    H 36.532  15.565  19.512  0.4170
1    H 35.075  15.663  19.877  0.4170
8    O 14.526   4.383   6.020 -0.8340
1    H 14.841   4.705   6.938  0.4170
1    H 14.857   5.119   5.475  0.4170
8    O 34.383  39.046  19.434 -0.8340
1    H 34.385  38.894  20.407  0.4170
1    H 35.386  39.004  19.269  0.4170
8    O 41.813   6.316  30.950 -0.8340
1    H 40.907   6.251  30.549  0.4170
1    H 42.287   6.792  30.230  0.4170
8    O  9.170   2.065  31.285 -0.8340
1    H  8.485   2.813  31.269  0.4170
1    H  9.498   2.160  30.376  0.4170
8    O  0.750  15.462  31.990 -0.8340
1    H  1.455  15.762  32.530  0.4170
1    H  0.422  16.262  31.496  0.4170
8    O  2.391  19.223  34.584 -0.8340
1    H  2.090  18.859  35.414  0.4170
1    H  2.545  20.166  34.841  0.4170
8    O 37.570  42.587  37.233 -0.8340
1    H 38.250  42.787  37.911  0.4170
1    H 38.025  43.091  36.458  0.4170
8    O 38.527   0.899  19.048 -0.8340
1    H 38.633   0.194  18.405  0.4170
1    H 39.043   1.625  18.658  0.4170
8    O 29.719  11.680  41.573 -0.8340
1    H 29.972  11.332  42.458  0.4170
1    H 29.373  10.814  41.176  0.4170
8    O 25.521   5.117   5.399 -0.8340
1    H 26.412   5.394   5.773  0.4170
1    H 24.941   5.893   5.604  0.4170
8    O 36.011   0.334  20.279 -0.8340
1    H 36.746   0.316  19.624  0.4170
1    H 35.261   0.215  19.629  0.4170
8    O 39.507  32.572  14.944 -0.8340
1    H 38.738  32.942  15.416  0.4170
1    H 40.226  33.185  15.214  0.4170
8    O 36.981  26.982  14.778 -0.8340
1    H 36.955  27.926  15.048  0.4170
1    H 36.454  26.544  15.498  0.4170
8    O 39.538  18.099  36.304 -0.8340
1    H 38.670  17.822  36.435  0.4170
1    H 39.613  18.304  35.379  0.4170
8    O 18.968  32.677  19.769 -0.8340
1    H 18.442  33.209  19.136  0.4170
1    H 18.523  31.806  19.726  0.4170
8    O 39.254  26.083  41.240 -0.8340
1    H 39.126  26.671  42.034  0.4170
1    H 38.591  25.389  41.372  0.4170
8    O  2.406  28.122   6.532 -0.8340
1    H  3.332  27.801   6.390  0.4170
1    H  2.617  29.094   6.447  0.4170
8    O 41.558   7.380  10.771 -0.8340
1    H 42.486   7.214  10.534  0.4170
1    H 41.730   7.662  11.693  0.4170
8    O  9.983  10.392  16.203 -0.8340
1    H 10.648  10.863  15.751  0.4170
1    H  9.180  10.919  16.063  0.4170
8    O 11.958  26.599  29.450 -0.8340
1    H 12.424  25.810  29.116  0.4170
1    H 11.160  26.186  29.865  0.4170
8    O  1.815  20.252  16.423 -0.8340
1    H  2.077  20.871  15.694  0.4170
1    H  2.557  19.660  16.439  0.4170
8    O  9.676  28.849  31.896 -0.8340
1    H  9.295  29.723  31.970  0.4170
1    H  8.952  28.324  31.466  0.4170
8    O 16.188  14.904   1.125 -0.8340
1    H 15.686  15.315   1.803  0.4170
1    H 16.466  14.028   1.539  0.4170
8    O 18.584   6.310  41.902 -0.8340
1    H 19.122   5.498  42.017  0.4170
1    H 19.205   6.933  42.354  0.4170
8    O 37.096  30.758  27.026 -0.8340
1    H 36.717  30.913  27.918  0.4170
1    H 37.891  30.220  27.382  0.4170
8    O 19.330  34.799  27.720 -0.8340
1    H 18.443  34.816  28.094  0.4170
1    H 19.336  35.435  27.031  0.4170
8    O 27.614  28.057  11.298 -0.8340
1    H 26.799  27.488  11.136  0.4170
1    H 28.283  27.491  10.800  0.4170
8    O 37.187  34.767  32.755 -0.8340
1    H 37.045  34.531  33.687  0.4170
1    H 36.568  35.487  32.629  0.4170
8    O  0.625   0.357  32.742 -0.8340
1    H  0.539   1.239  32.285  0.4170
1    H  1.216  -0.119  32.173  0.4170
8    O  9.020  30.021   3.716 -0.8340
1    H  8.497  30.205   4.556  0.4170
1    H  8.695  30.788   3.189  0.4170
8    O  3.885  27.429  16.516 -0.8340
1    H  4.395  26.807  15.913  0.4170
1    H  3.801  28.207  15.989  0.4170
8    O 23.378  38.019   1.842 -0.8340
1    H 24.255  38.042   2.297  0.4170
1    H 22.941  37.296   2.237  0.4170
8    O 27.682   5.591   7.136 -0.8340
1    H 28.266   4.795   7.195  0.4170
1    H 27.192   5.489   7.988  0.4170
8    O 19.611   3.651  15.022 -0.8340
1    H 19.627   2.705  15.392  0.4170
1    H 18.715   3.865  15.346  0.4170
8    O 16.111  13.123  14.962 -0.8340
1    H 16.598  13.446  14.183  0.4170
1    H 15.792  12.271  14.629  0.4170
8    O 40.575   2.805  28.522 -0.8340
1    H 40.203   3.579  28.091  0.4170
1    H 41.528   3.097  28.571  0.4170
8    O 32.771   1.864  20.204 -0.8340
1    H 31.967   1.401  20.015  0.4170
1    H 32.799   2.600  19.601  0.4170
8    O  4.347  29.242  14.585 -0.8340
1    H  4.344  28.835  13.662  0.4170
1    H  3.534  29.836  14.428  0.4170
8    O 34.453  18.398  38.146 -0.8340
1    H 34.470  18.640  37.185  0.4170
1    H 33.468  18.470  38.312  0.4170
8    O 28.443  21.748  25.939 -0.8340
1    H 29.115  22.497  26.157  0.4170
1    H 28.494  21.893  24.954  0.4170
8    O 31.515   5.934   3.618 -0.8340
1    H 31.362   6.713   4.087  0.4170
1    H 32.041   5.385   4.226  0.4170
8    O 15.107  19.266  10.171 -0.8340
1    H 15.266  20.226  10.008  0.4170
1    H 14.173  19.253   9.871  0.4170
8    O 29.412  16.516   4.258 -0.8340
1    H 30.094  17.040   4.733  0.4170
1    H 29.817  16.510   3.381  0.4170
8    O  9.706  18.450   7.748 -0.8340
1    H 10.514  18.713   7.226  0.4170
1    H  9.029  18.458   7.037  0.4170
8    O 16.479  39.123  22.595 -0.8340
1    H 15.603  39.098  23.043  0.4170
1    H 16.406  39.997  22.103  0.4170
8    O 27.665   9.557   3.727 -0.8340
1    H 28.216   9.255   4.459  0.4170
1    H 28.046   9.107   2.968  0.4170
8    O 20.072  12.905   9.975 -0.8340
1    H 20.062  13.809   9.629  0.4170
1    H 19.421  13.032  10.737  0.4170
8    O  4.281  27.311  24.877 -0.8340
1    H  4.417  28.239  24.523  0.4170
1    H  5.201  27.077  25.148  0.4170
8    O 11.986  29.441  36.799 -0.8340
1    H 12.244  28.506  37.081  0.4170
1    H 11.473  29.194  35.964  0.4170
8    O 29.259   3.704   8.062 -0.8340
1    H 29.662   4.010   8.895  0.4170
1    H 28.489   3.252   8.484  0.4170
8    O  5.561   7.412  25.844 -0.8340
1    H  6.460   7.137  26.010  0.4170
1    H  5.546   8.214  26.418  0.4170
8    O 36.328  23.372  16.518 -0.8340
1    H 35.959  24.261  16.405  0.4170
1    H 37.144  23.518  15.968  0.4170
8    O 29.409  29.693   7.166 -0.8340
1    H 29.954  29.482   6.357  0.4170
1    H 28.944  28.852   7.268  0.4170
8    O 27.942  10.622  25.141 -0.8340
1    H 27.340  10.140  24.522  0.4170
1    H 28.102  11.413  24.612  0.4170
8    O  9.006  26.727  27.588 -0.8340
1    H  9.836  27.281  27.447  0.4170
1    H  9.279  26.288  28.412  0.4170
8    O 27.074  21.810  36.821 -0.8340
1    H 27.204  22.704  36.350  0.4170
1    H 27.326  22.108  37.715  0.4170
8    O 15.812  39.812  33.954 -0.8340
1    H 16.611  39.298  33.612  0.4170
1    H 15.790  39.383  34.880  0.4170
8    O  8.284  36.185  29.558 -0.8340
1    H  8.576  35.512  30.291  0.4170
1    H  8.203  35.626  28.781  0.4170
8    O 42.936  22.013  36.280 -0.8340
1    H 42.667  21.096  36.538  0.4170
1    H 42.753  22.423  37.172  0.4170
8    O 33.536   6.136  12.577 -0.8340
1    H 34.314   6.533  12.187  0.4170
1    H 32.918   6.038  11.852  0.4170
8    O 34.956  30.088  31.981 -0.8340
1    H 33.970  30.062  31.996  0.4170
1    H 35.218  29.304  32.374  0.4170
8    O 22.868  16.924   7.533 -0.8340
1    H 23.124  17.450   6.775  0.4170
1    H 21.889  16.991   7.456  0.4170
8    O 19.367  36.053  25.164 -0.8340
1    H 18.906  36.868  24.857  0.4170
1    H 20.013  35.895  24.412  0.4170
8    O 27.041   2.691   8.947 -0.8340
1    H 26.816   1.789   9.242  0.4170
1    H 26.326   2.813   8.257  0.4170
8    O 10.290  24.549  22.707 -0.8340
1    H 10.496  23.775  22.124  0.4170
1    H  9.679  24.126  23.330  0.4170
8    O 40.797  12.006   5.863 -0.8340
1    H 40.550  11.068   5.955  0.4170
1    H 40.371  12.326   5.094  0.4170
8    O  2.842  24.453   7.839 -0.8340
1    H  1.989  24.889   7.545  0.4170
1    H  2.851  23.610   7.405  0.4170
8    O  1.069  25.542  26.580 -0.8340
1    H  1.941  25.403  27.095  0.4170
1    H  1.376  25.760  25.698  0.4170
8    O 39.366  24.538  22.679 -0.8340
1    H 39.443  23.684  22.365  0.4170
1    H 40.259  24.816  22.900  0.4170
8    O  7.663  31.354  32.819 -0.8340
1    H  6.901  31.962  33.051  0.4170
1    H  8.416  31.922  33.093  0.4170
8    O 33.227  33.093   4.075 -0.8340
1    H 33.401  32.126   4.179  0.4170
1    H 33.555  33.433   4.914  0.4170
8    O 21.651  28.893  23.699 -0.8340
1    H 21.054  29.655  23.796  0.4170
1    H 21.725  28.490  24.565  0.4170
8    O 36.660   1.323   3.755 -0.8340
1    H 36.205   2.059   4.235  0.4170
1    H 36.415   1.305   2.842  0.4170
8    O 33.864  41.759  27.118 -0.8340
1    H 33.998  42.644  27.513  0.4170
1    H 33.137  41.412  27.739  0.4170
8    O  6.644   2.587  24.240 -0.8340
1    H  7.572   2.758  24.490  0.4170
1    H  6.633   3.051  23.364  0.4170
8    O 29.784  29.368  31.963 -0.8340
1    H 29.299  30.246  31.956  0.4170
1    H 29.711  29.133  31.020  0.4170
8    O 39.352  -0.031  39.439 -0.8340
1    H 40.299  -0.247  39.358  0.4170
1    H 39.298   0.418  40.323  0.4170
8    O 26.454  16.215  42.725 -0.8340
1    H 25.500  16.424  42.518  0.4170
1    H 26.304  15.419  43.151  0.4170
8    O 14.431   7.836  30.869 -0.8340
1    H 14.471   8.600  31.511  0.4170
1    H 13.512   7.595  31.024  0.4170
8    O  3.435   5.603  25.795 -0.8340
1    H  4.026   4.821  26.010  0.4170
1    H  4.160   6.296  25.763  0.4170
8    O 36.151  25.799  12.429 -0.8340
1    H 35.251  25.579  12.777  0.4170
1    H 36.475  26.322  13.180  0.4170
8    O  8.161  41.646  30.358 -0.8340
1    H  8.272  42.427  29.902  0.4170
1    H  8.060  40.961  29.675  0.4170
8    O 41.754   6.185  42.181 -0.8340
1    H 40.782   6.358  42.061  0.4170
1    H 41.706   5.209  42.495  0.4170
8    O  4.379  15.314   9.451 -0.8340
1    H  4.180  15.102  10.397  0.4170
1    H  3.468  15.449   9.105  0.4170
8    O 19.806  13.015  34.294 -0.8340
1    H 19.720  13.496  33.456  0.4170
1    H 18.917  13.015  34.636  0.4170
8    O  6.785  30.277  15.389 -0.8340
1    H  6.994  30.407  14.466  0.4170
1    H  5.871  29.882  15.279  0.4170
8    O 10.143  20.845  22.863 -0.8340
1    H  9.620  20.219  22.393  0.4170
1    H 10.230  21.598  22.211  0.4170
8    O  8.631  19.333  20.826 -0.8340
1    H  8.848  19.927  20.105  0.4170
1    H  8.437  18.496  20.353  0.4170
8    O 25.022   7.871  26.148 -0.8340
1    H 25.187   8.324  26.995  0.4170
1    H 25.418   8.504  25.512  0.4170
8    O 36.601  14.038  39.136 -0.8340
1    H 36.629  13.046  39.041  0.4170
1    H 36.830  14.152  40.072  0.4170
8    O 34.321  21.780  30.790 -0.8340
1    H 33.636  22.350  30.406  0.4170
1    H 33.957  21.627  31.687  0.4170
8    O 14.568   3.599  28.011 -0.8340
1    H 14.502   2.632  28.125  0.4170
1    H 15.531   3.708  27.768  0.4170
8    O 19.056   4.132  22.839 -0.8340
1    H 19.933   4.233  22.371  0.4170
1    H 18.461   4.549  22.178  0.4170
8    O 24.627  42.091  11.450 -0.8340
1    H 23.904  42.636  11.914  0.4170
1    H 24.669  41.337  12.088  0.4170
8    O 11.350  41.611  37.546 -0.8340
1    H 11.071  41.566  36.577  0.4170
1    H 12.337  41.692  37.425  0.4170
8    O  6.288   2.072  13.804 -0.8340
1    H  6.572   1.122  13.721  0.4170
1    H  5.392   2.038  14.078  0.4170
8    O 18.687   4.103  25.723 -0.8340
1    H 19.469   3.450  25.597  0.4170
1    H 18.844   4.643  24.895  0.4170
8    O 10.007  22.471  20.666 -0.8340
1    H 10.849  22.724  20.209  0.4170
1    H  9.557  22.006  19.868  0.4170
8    O 13.324   8.485   8.142 -0.8340
1    H 12.839   8.391   8.987  0.4170
1    H 12.553   8.287   7.515  0.4170
8    O 24.556   5.690  24.603 -0.8340
1    H 24.873   6.531  25.039  0.4170
1    H 24.605   5.126  25.418  0.4170
8    O 26.182   9.257  23.835 -0.8340
1    H 25.541   8.685  23.377  0.4170
1    H 26.222   9.968  23.089  0.4170
8    O  7.018  28.216  20.836 -0.8340
1    H  6.518  27.632  20.170  0.4170
1    H  7.675  28.690  20.266  0.4170
8    O 24.485  10.386  30.785 -0.8340
1    H 23.676  10.692  30.319  0.4170
1    H 24.376  10.805  31.605  0.4170
8    O 14.667  40.633  30.219 -0.8340
1    H 14.022  40.733  30.949  0.4170
1    H 14.110  40.740  29.449  0.4170
8    O 37.257  21.170  24.278 -0.8340
1    H 37.022  21.985  24.786  0.4170
1    H 37.286  20.544  25.020  0.4170
8    O  3.899  30.666  35.119 -0.8340
1    H  2.984  30.346  34.998  0.4170
1    H  4.238  30.387  34.257  0.4170
8    O 36.630  34.082  35.299 -0.8340
1    H 37.288  33.449  35.740  0.4170
1    H 36.037  33.433  34.794  0.4170
8    O 16.325  27.170  15.493 -0.8340
1    H 15.463  26.709  15.441  0.4170
1    H 15.968  28.001  15.934  0.4170
8    O  1.614  13.233  12.676 -0.8340
1    H  2.591  13.177  12.597  0.4170
1    H  1.435  12.308  13.032  0.4170
8    O 12.908   1.047  20.142 -0.8340
1    H 13.384   1.926  20.227  0.4170
1    H 12.215   1.418  19.476  0.4170
8    O 39.886  14.815  24.016 -0.8340
1    H 39.910  15.130  23.076  0.4170
1    H 40.857  14.755  24.153  0.4170
8    O 37.702  35.980  22.586 -0.8340
1    H 38.065  35.174  23.019  0.4170
1    H 38.213  35.944  21.752  0.4170
8    O 20.609  31.423  23.537 -0.8340
1    H 20.832  31.548  22.595  0.4170
1    H 19.734  31.042  23.438  0.4170
8    O  7.718  31.919   2.270 -0.8340
1    H  6.838  32.233   2.629  0.4170
1    H  7.657  32.228   1.361  0.4170
8    O 10.501  29.521  21.122 -0.8340
1    H 10.216  28.843  21.707  0.4170
1    H  9.756  29.821  20.607  0.4170
8    O 28.736  32.206   6.594 -0.8340
1    H 29.011  31.320   7.001  0.4170
1    H 27.860  31.943   6.289  0.4170
8    O 18.267  11.881  39.318 -0.8340
1    H 18.783  11.719  38.502  0.4170
1    H 17.411  11.487  39.129  0.4170
8    O 23.502  24.943   9.032 -0.8340
1    H 22.980  24.615   8.241  0.4170
1    H 22.884  25.265   9.609  0.4170
8    O 40.402  16.085  21.317 -0.8340
1    H 41.383  15.849  21.044  0.4170
1    H 40.329  16.988  21.192  0.4170
8    O 32.611   3.402  13.876 -0.8340
1    H 33.374   2.958  13.480  0.4170
1    H 31.932   3.015  13.257  0.4170
8    O 38.902  28.179  39.638 -0.8340
1    H 39.218  27.602  40.392  0.4170
1    H 39.199  29.065  39.999  0.4170
8    O 11.182  40.416  18.258 -0.8340
1    H 10.560  39.645  18.277  0.4170
1    H 10.593  41.179  18.372  0.4170
8    O 33.692  30.479  38.263 -0.8340
1    H 33.170  30.675  37.413  0.4170
1    H 33.275  31.225  38.757  0.4170
8    O 42.590  38.834  11.950 -0.8340
1    H 43.336  39.008  12.577  0.4170
1    H 41.872  39.159  12.511  0.4170
8    O 36.014  40.073  27.091 -0.8340
1    H 35.480  40.868  27.176  0.4170
1    H 36.907  40.379  27.112  0.4170
8    O 18.703  42.218  26.097 -0.8340
1    H 18.457  42.872  26.788  0.4170
1    H 18.291  41.388  26.411  0.4170
8    O 10.222  23.385  37.933 -0.8340
1    H 10.768  22.655  37.594  0.4170
1    H  9.324  23.056  37.724  0.4170
8    O -0.148   4.411  28.670 -0.8340
1    H  0.794   4.348  28.751  0.4170
1    H -0.263   5.405  28.754  0.4170
8    O 26.597  16.181  35.178 -0.8340
1    H 26.484  15.405  35.668  0.4170
1    H 25.705  16.364  34.878  0.4170
8    O 17.083  36.571  40.821 -0.8340
1    H 17.973  36.837  40.905  0.4170
1    H 16.940  35.764  41.336  0.4170
8    O  2.413   8.024   4.826 -0.8340
1    H  2.909   8.653   4.261  0.4170
1    H  3.061   7.328   4.896  0.4170
8    O 23.180  39.371  21.144 -0.8340
1    H 22.333  38.995  20.897  0.4170
1    H 22.910  39.951  21.928  0.4170
8    O 34.101  10.070   8.241 -0.8340
1    H 33.178  10.438   8.422  0.4170
1    H 34.605  10.235   9.034  0.4170
8    O  7.975   3.778  14.801 -0.8340
1    H  7.363   3.270  14.320  0.4170
1    H  8.698   3.214  15.014  0.4170
8    O 28.678  38.752   8.833 -0.8340
1    H 28.942  37.834   8.840  0.4170
1    H 28.564  38.868   7.845  0.4170
8    O  7.340  34.084  27.833 -0.8340
1    H  7.629  33.193  28.087  0.4170
1    H  6.381  33.981  27.798  0.4170
8    O  3.945  38.409  24.570 -0.8340
1    H  3.789  38.616  25.463  0.4170
1    H  3.074  38.712  24.202  0.4170
8    O 23.305   7.772  12.527 -0.8340
1    H 22.910   7.546  11.634  0.4170
1    H 23.592   8.742  12.273  0.4170
8    O 19.760  15.966  11.847 -0.8340
1    H 19.757  16.928  11.578  0.4170
1    H 20.766  15.811  11.812  0.4170
8    O 30.801  42.681   9.932 -0.8340
1    H 30.101  42.146   9.449  0.4170
1    H 31.283  41.927  10.337  0.4170
8    O  6.843   6.555  13.695 -0.8340
1    H  7.281   5.673  13.887  0.4170
1    H  7.671   7.100  13.823  0.4170
8    O 13.316  28.290   1.491 -0.8340
1    H 12.456  28.754   1.325  0.4170
1    H 13.937  29.055   1.280  0.4170
8    O 24.854  17.522  40.232 -0.8340
1    H 25.071  16.766  39.597  0.4170
1    H 24.394  16.967  40.905  0.4170
8    O 27.991  38.722  39.239 -0.8340
1    H 27.320  38.369  38.582  0.4170
1    H 28.495  37.867  39.295  0.4170
8    O 41.952  27.922  21.462 -0.8340
1    H 42.210  26.992  21.721  0.4170
1    H 42.532  28.012  20.681  0.4170
8    O 30.811  16.614   7.793 -0.8340
1    H 31.527  15.933   7.979  0.4170
1    H 30.129  16.000   7.442  0.4170
8    O 24.482  14.209   1.486 -0.8340
1    H 23.974  13.847   2.236  0.4170
1    H 25.237  13.536   1.545  0.4170
8    O 38.938   9.946  20.092 -0.8340
1    H 39.903   9.761  20.137  0.4170
1    H 38.738   9.602  19.181  0.4170
8    O 24.475  20.139   0.398 -0.8340
1    H 25.225  19.692   0.928  0.4170
1    H 24.322  20.844   1.043  0.4170
8    O 41.265  13.884  13.030 -0.8340
1    H 41.403  13.317  13.838  0.4170
1    H 41.625  14.681  13.286  0.4170
8    O 36.957  21.972  28.908 -0.8340
1    H 36.121  22.249  29.414  0.4170
1    H 36.487  21.895  28.073  0.4170
8    O 22.492  13.116  35.567 -0.8340
1    H 22.570  12.895  36.582  0.4170
1    H 21.566  13.017  35.480  0.4170
8    O  0.581  10.807   0.271 -0.8340
1    H  0.957   9.941  -0.027  0.4170
1    H  1.030  10.919   1.119  0.4170
8    O  8.905   2.069   5.418 -0.8340
1    H  9.263   1.826   4.574  0.4170
1    H  7.993   2.346   5.203  0.4170
8    O 35.696   7.281  27.787 -0.8340
1    H 36.159   6.460  27.424  0.4170
1    H 34.825   7.124  27.386  0.4170
8    O 28.154  24.065  35.594 -0.8340
1    H 28.192  25.039  35.462  0.4170
1    H 28.960  23.730  35.313  0.4170
8    O  3.464  34.087   2.111 -0.8340
1    H  3.608  33.788   1.209  0.4170
1    H  3.035  34.936   2.096  0.4170
8    O 24.654   8.130  29.094 -0.8340
1    H 23.742   8.070  28.843  0.4170
1    H 24.676   8.893  29.720  0.4170
8    O  7.107   0.600  27.898 -0.8340
1    H  6.951   0.218  26.987  0.4170
1    H  7.625   1.389  27.627  0.4170
8    O 31.221   7.983  11.958 -0.8340
1    H 30.698   7.237  12.280  0.4170
1    H 30.571   8.696  12.104  0.4170
8    O 24.468  14.373   4.889 -0.8340
1    H 23.844  13.750   4.542  0.4170
1    H 24.905  13.825   5.598  0.4170
8    O  2.373  30.929  13.984 -0.8340
1    H  1.549  30.736  14.476  0.4170
1    H  2.104  31.784  13.645  0.4170
8    O 37.597  35.867  13.971 -0.8340
1    H 37.132  35.196  13.407  0.4170
1    H 37.803  36.516  13.233  0.4170
8    O 34.691  11.713   2.045 -0.8340
1    H 33.780  12.070   1.781  0.4170
1    H 34.583  10.777   1.888  0.4170
8    O 37.643  37.425  11.750 -0.8340
1    H 36.870  37.066  11.301  0.4170
1    H 38.017  38.044  11.054  0.4170
8    O 12.737   3.995  25.974 -0.8340
1    H 13.405   3.885  26.717  0.4170
1    H 13.365   4.090  25.219  0.4170
8    O 14.822   7.062  19.135 -0.8340
1    H 14.346   6.273  19.488  0.4170
1    H 14.103   7.489  18.636  0.4170
8    O 24.483  22.159   7.167 -0.8340
1    H 23.705  22.240   6.540  0.4170
1    H 25.171  21.801   6.515  0.4170
8    O 32.972  17.595  20.195 -0.8340
1    H 33.861  17.914  20.055  0.4170
1    H 33.114  16.748  20.640  0.4170
8    O 31.599  20.702  24.365 -0.8340
1    H 31.351  20.687  25.338  0.4170
1    H 30.810  20.214  23.985  0.4170
8    O 10.775  29.065  34.531 -0.8340
1    H  9.914  29.284  34.887  0.4170
1    H 10.564  28.918  33.618  0.4170
8    O 14.683  17.285   6.721 -0.8340
1    H 15.367  16.767   7.167  0.4170
1    H 15.221  17.840   6.118  0.4170
8    O  8.523  13.104  37.498 -0.8340
1    H  8.619  14.100  37.698  0.4170
1    H  7.617  13.118  37.161  0.4170
8    O 26.282  32.463  19.503 -0.8340
1    H 25.570  31.882  19.783  0.4170
1    H 26.008  33.323  19.657  0.4170
8    O 34.105  14.544  14.846 -0.8340
1    H 34.690  14.516  14.056  0.4170
1    H 34.741  14.376  15.558  0.4170
8    O 42.935  30.275  15.333 -0.8340
1    H 42.645  29.887  16.188  0.4170
1    H 42.062  30.421  14.940  0.4170
8    O 39.442  13.447  17.717 -0.8340
1    H 38.807  13.709  18.429  0.4170
1    H 39.215  14.225  17.137  0.4170
8    O 34.588  34.518  37.846 -0.8340
1    H 33.697  34.234  37.480  0.4170
1    H 34.983  34.977  37.090  0.4170
8    O  2.916  37.342  19.941 -0.8340
1    H  2.183  37.061  19.401  0.4170
1    H  2.855  36.854  20.757  0.4170
8    O  1.998  30.275  29.357 -0.8340
1    H  1.354  30.456  30.084  0.4170
1    H  2.263  31.160  29.108  0.4170
8    O  0.288  33.240  26.038 -0.8340
1    H  0.678  33.345  26.903  0.4170
1    H -0.531  32.751  26.279  0.4170
8    O 13.973  21.659   1.951 -0.8340
1    H 13.155  22.238   1.900  0.4170
1    H 14.665  22.264   2.345  0.4170
8    O 35.734  18.041  27.117 -0.8340
1    H 34.855  18.376  26.861  0.4170
1    H 35.658  17.982  28.074  0.4170
8    O  0.469   4.290  19.060 -0.8340
1    H  1.245   4.096  19.708  0.4170
1    H -0.085   4.845  19.668  0.4170
8    O  2.762   7.204  31.822 -0.8340
1    H  2.402   8.073  31.807  0.4170
1    H  3.655   7.305  32.155  0.4170
8    O 30.274   4.111  10.617 -0.8340
1    H 29.804   4.668  11.294  0.4170
1    H 30.352   3.310  11.172  0.4170
8    O 15.379  13.773  30.106 -0.8340
1    H 14.675  13.471  29.457  0.4170
1    H 15.904  14.352  29.605  0.4170
8    O 34.606   7.056  32.798 -0.8340
1    H 33.685   7.368  32.863  0.4170
1    H 35.009   7.448  33.592  0.4170
8    O 18.866  28.951   7.968 -0.8340
1    H 19.182  28.035   7.733  0.4170
1    H 17.922  28.765   8.036  0.4170
8    O 12.268  41.883  31.475 -0.8340
1    H 12.575  41.325  32.215  0.4170
1    H 11.286  41.950  31.724  0.4170
8    O  8.681   0.291   7.355 -0.8340
1    H  9.158  -0.571   7.197  0.4170
1    H  8.781   0.651   6.435  0.4170
8    O 28.943  24.336   1.803 -0.8340
1    H 28.384  24.761   2.450  0.4170
1    H 29.461  23.734   2.432  0.4170
8    O 28.226  35.356  11.085 -0.8340
1    H 28.696  35.433  11.926  0.4170
1    H 27.545  34.683  11.291  0.4170
8    O 34.712   9.431   5.818 -0.8340
1    H 34.490   9.797   6.712  0.4170
1    H 35.068   8.563   6.115  0.4170
8    O 40.655  31.441   3.859 -0.8340
1    H 40.600  32.441   3.985  0.4170
1    H 41.522  31.336   3.524  0.4170
8    O  1.696  33.416  13.183 -0.8340
1    H  0.892  33.355  12.607  0.4170
1    H  2.173  34.141  12.731  0.4170
8    O  0.268   6.458   4.672 -0.8340
1    H  1.028   7.030   4.686  0.4170
1    H  0.055   6.465   3.706  0.4170
8    O 36.225  32.162  24.826 -0.8340
1    H 36.821  31.741  25.450  0.4170
1    H 35.669  32.723  25.450  0.4170
8    O 25.116  15.370  38.751 -0.8340
1    H 25.312  14.471  39.156  0.4170
1    H 25.179  15.090  37.813  0.4170
8    O 28.361  28.230   3.401 -0.8340
1    H 28.828  29.071   3.292  0.4170
1    H 27.473  28.447   3.068  0.4170
8    O 16.711  -0.236  36.983 -0.8340
1    H 16.105   0.257  36.383  0.4170
1    H 17.432   0.505  37.035  0.4170
8    O 25.456  35.027   4.938 -0.8340
1    H 26.151  35.132   4.243  0.4170
1    H 26.117  34.935   5.721  0.4170
8    O 15.389  26.139   6.877 -0.8340
1    H 15.139  25.762   7.712  0.4170
1    H 14.793  25.728   6.229  0.4170
8    O 28.396   5.698  34.379 -0.8340
1    H 27.902   5.769  33.540  0.4170
1    H 28.467   4.731  34.533  0.4170
8    O 27.676  37.029  20.379 -0.8340
1    H 26.694  37.023  20.630  0.4170
1    H 27.789  38.024  20.348  0.4170
8    O 10.646  31.495  33.669 -0.8340
1    H 11.065  32.070  34.307  0.4170
1    H 10.901  30.576  33.972  0.4170
8    O 25.694   6.099  16.084 -0.8340
1    H 26.545   6.051  16.627  0.4170
1    H 25.175   5.420  16.590  0.4170
8    O 28.832  32.597  18.722 -0.8340
1    H 27.909  32.441  18.859  0.4170
1    H 29.161  32.622  19.627  0.4170
8    O 27.785  30.592  27.104 -0.8340
1    H 27.709  31.539  27.265  0.4170
1    H 28.598  30.549  26.523  0.4170
8    O 41.364   0.079   0.830 -0.8340
1    H 41.798  -0.062  -0.062  0.4170
1    H 42.125   0.317   1.370  0.4170
8    O 25.749  12.788   6.492 -0.8340
1    H 25.182  12.894   7.307  0.4170
1    H 25.917  11.829   6.562  0.4170
8    O 28.046  15.684  21.498 -0.8340
1    H 27.251  15.441  22.013  0.4170
1    H 27.768  15.359  20.599  0.4170
8    O  6.848  22.636   7.947 -0.8340
1    H  7.091  22.748   6.996  0.4170
1    H  7.487  21.963   8.205  0.4170
8    O 20.813  33.160  12.037 -0.8340
1    H 21.434  32.733  12.682  0.4170
1    H 20.060  33.429  12.644  0.4170
8    O 25.347  18.734  37.587 -0.8340
1    H 25.349  19.426  38.226  0.4170
1    H 26.222  18.338  37.685  0.4170
8    O  2.612  35.916   9.702 -0.8340
1    H  1.837  36.517   9.581  0.4170
1    H  2.680  35.858  10.663  0.4170
8    O 13.219  18.975   8.410 -0.8340
1    H 13.598  18.180   7.996  0.4170
1    H 12.428  18.586   8.797  0.4170
8    O 30.227  27.549  17.108 -0.8340
1    H 30.829  27.291  17.803  0.4170
1    H 29.999  28.459  17.439  0.4170
8    O 15.947   6.339   4.860 -0.8340
1    H 16.864   6.049   4.499  0.4170
1    H 16.273   6.836   5.635  0.4170
8    O  0.165  36.943  22.249 -0.8340
1    H -0.102  36.480  21.408  0.4170
1    H  0.635  36.142  22.650  0.4170
8    O  6.496  13.728  23.292 -0.8340
1    H  7.136  13.050  23.385  0.4170
1    H  6.522  14.281  24.109  0.4170
8    O 13.196  18.862  13.645 -0.8340
1    H 12.543  18.312  13.204  0.4170
1    H 12.876  18.783  14.562  0.4170
8    O  9.317  15.616   1.453 -0.8340
1    H 10.222  15.285   1.492  0.4170
1    H  9.038  15.277   0.578  0.4170
8    O 30.446  41.787   6.202 -0.8340
1    H 30.865  41.488   7.011  0.4170
1    H 30.477  42.749   6.326  0.4170
8    O  6.877   9.185  12.146 -0.8340
1    H  6.287   9.071  12.934  0.4170
1    H  7.755   9.020  12.561  0.4170
8    O 22.428  15.296  11.979 -0.8340
1    H 23.161  15.372  11.299  0.4170
1    H 22.903  15.737  12.720  0.4170
8    O 27.880  17.952  37.954 -0.8340
1    H 28.315  18.485  37.290  0.4170
1    H 28.642  17.623  38.458  0.4170
8    O  7.243   3.857  31.386 -0.8340
1    H  6.429   3.418  31.051  0.4170
1    H  6.870   4.309  32.170  0.4170
8    O 30.771  11.326  27.412 -0.8340
1    H 29.794  11.592  27.357  0.4170
1    H 31.136  11.896  26.682  0.4170
8    O 27.991   6.803  37.022 -0.8340
1    H 27.729   6.400  36.146  0.4170
1    H 28.312   7.673  36.732  0.4170
8    O  1.129  30.125  34.371 -0.8340
1    H  1.023  29.468  33.692  0.4170
1    H  0.462  29.894  35.054  0.4170
8    O  4.011  18.642  16.404 -0.8340
1    H  4.712  18.416  17.065  0.4170
1    H  4.588  19.111  15.764  0.4170
8    O  5.551  13.253   4.316 -0.8340
1    H  6.151  12.617   4.745  0.4170
1    H  4.715  13.133   4.785  0.4170
8    O 22.690  27.638  18.192 -0.8340
1    H 21.986  27.680  18.831  0.4170
1    H 23.207  26.901  18.633  0.4170
8    O  1.513   5.139  16.700 -0.8340
1    H  2.455   4.963  16.723  0.4170
1    H  1.158   4.786  17.505  0.4170
8    O  1.483  25.814  14.046 -0.8340
1    H  1.486  26.561  13.414  0.4170
1    H  0.852  25.196  13.625  0.4170
8    O 40.292  33.721   6.402 -0.8340
1    H 39.377  33.463   6.361  0.4170
1    H 40.475  34.061   5.510  0.4170
8    O  4.952  37.142   9.049 -0.8340
1    H  4.759  37.757   8.371  0.4170
1    H  4.249  36.478   9.052  0.4170
8    O  2.200  14.674  23.748 -0.8340
1    H  2.589  14.229  24.608  0.4170
1    H  2.902  14.444  23.127  0.4170
8    O 43.169  18.664   0.329 -0.8340
1    H 42.866  17.859   0.837  0.4170
1    H 42.388  18.720  -0.301  0.4170
8    O 39.586  30.006  14.253 -0.8340
1    H 38.715  30.047  14.652  0.4170
1    H 39.897  30.911  14.325  0.4170
8    O 12.482  37.612  20.943 -0.8340
1    H 12.500  36.878  21.572  0.4170
1    H 11.675  38.043  21.135  0.4170
8    O 14.146  22.781  26.681 -0.8340
1    H 14.340  22.023  27.247  0.4170
1    H 14.946  23.304  26.917  0.4170
8    O  4.388  43.002   6.037 -0.8340
1    H  4.692  42.226   6.590  0.4170
1    H  3.404  42.920   6.179  0.4170
8    O  2.534  23.156  19.109 -0.8340
1    H  2.254  22.201  19.081  0.4170
1    H  3.350  23.018  18.564  0.4170
8    O  8.499  28.424  16.413 -0.8340
1    H  9.325  28.711  16.021  0.4170
1    H  7.886  29.162  16.253  0.4170
8    O 20.808  37.672  20.950 -0.8340
1    H 19.980  37.234  20.755  0.4170
1    H 21.001  37.365  21.811  0.4170
8    O 41.929  27.712   1.768 -0.8340
1    H 41.191  28.419   1.656  0.4170
1    H 42.540  28.084   1.131  0.4170
8    O 17.319  37.780  28.703 -0.8340
1    H 17.160  36.880  28.427  0.4170
1    H 16.734  37.903  29.492  0.4170
8    O 38.179  14.565  19.754 -0.8340
1    H 38.554  15.220  20.381  0.4170
1    H 38.286  13.765  20.324  0.4170
8    O  1.261  33.924  28.518 -0.8340
1    H  1.940  33.500  29.020  0.4170
1    H  1.501  34.829  28.393  0.4170
8    O 23.621  10.814  16.903 -0.8340
1    H 23.294  11.169  16.075  0.4170
1    H 24.164  10.045  16.580  0.4170
8    O  1.838  13.296  40.554 -0.8340
1    H  2.562  13.348  39.878  0.4170
1    H  2.365  12.898  41.288  0.4170
8    O 19.538   1.622  20.715 -0.8340
1    H 19.949   2.500  20.911  0.4170
1    H 18.648   1.854  20.549  0.4170
8    O 11.663  27.009  24.816 -0.8340
1    H 11.709  27.482  25.708  0.4170
1    H 11.152  26.230  25.169  0.4170
8    O 11.867  21.745  36.315 -0.8340
1    H 12.624  21.253  36.710  0.4170
1    H 11.490  21.097  35.715  0.4170
8    O 19.589  10.502  25.305 -0.8340
1    H 20.439  10.804  25.701  0.4170
1    H 19.927   9.846  24.677  0.4170
8    O 41.128  31.986  27.396 -0.8340
1    H 40.653  32.742  27.875  0.4170
1    H 40.650  31.194  27.657  0.4170
8    O 42.713  24.715  12.233 -0.8340
1    H 43.107  24.173  11.487  0.4170
1    H 41.977  25.115  11.818  0.4170
8    O 22.698  35.013  12.695 -0.8340
1    H 22.170  34.331  12.207  0.4170
1    H 21.990  35.672  12.784  0.4170
8    O 13.780  42.362   5.567 -0.8340
1    H 13.035  42.630   6.195  0.4170
1    H 13.825  43.200   5.044  0.4170
8    O 20.863  31.480  10.005 -0.8340
1    H 21.853  31.376   9.943  0.4170
1    H 20.867  32.231  10.677  0.4170
8    O 39.413  20.942  27.705 -0.8340
1    H 38.999  20.153  27.466  0.4170
1    H 38.880  21.276  28.472  0.4170
8    O 15.551   2.992  20.326 -0.8340
1    H 15.974   2.188  20.737  0.4170
1    H 16.306   3.167  19.666  0.4170
8    O  1.732  25.210   3.018 -0.8340
1    H  2.554  25.139   3.554  0.4170
1    H  1.117  25.641   3.689  0.4170
8    O  3.726  41.585  24.472 -0.8340
1    H  3.707  41.330  25.434  0.4170
1    H  3.308  40.817  24.057  0.4170
8    O 36.084  38.920  42.625 -0.8340
1    H 35.311  38.384  42.195  0.4170
1    H 36.586  38.115  42.965  0.4170
8    O  3.464  22.844  32.829 -0.8340
1    H  3.236  22.978  33.802  0.4170
1    H  3.942  23.674  32.657  0.4170
8    O 28.760  22.290  19.095 -0.8340
1    H 29.248  21.509  19.444  0.4170
1    H 29.285  23.061  19.478  0.4170
8    O  9.112  15.813  25.143 -0.8340
1    H  9.192  15.917  24.212  0.4170
1    H  8.988  14.861  25.252  0.4170
8    O 14.661  30.767  20.466 -0.8340
1    H 15.017  29.855  20.270  0.4170
1    H 14.964  31.206  19.625  0.4170
8    O  7.745  12.127  28.481 -0.8340
1    H  8.433  12.676  28.070  0.4170
1    H  8.244  11.772  29.259  0.4170
8    O  2.403  25.618  24.253 -0.8340
1    H  2.223  25.855  23.279  0.4170
1    H  3.172  26.196  24.409  0.4170
8    O 14.337  31.573  27.833 -0.8340
1    H 13.958  32.412  27.963  0.4170
1    H 14.350  31.400  26.857  0.4170
8    O  4.483   5.474  42.378 -0.8340
1    H  4.196   6.442  42.252  0.4170
1    H  5.379   5.618  42.022  0.4170
8    O 21.157  15.557  -0.102 -0.8340
1    H 20.760  15.988   0.732  0.4170
1    H 20.389  14.957  -0.357  0.4170
8    O 14.318  36.059  23.181 -0.8340
1    H 14.437  35.067  23.373  0.4170
1    H 13.369  36.140  23.377  0.4170
8    O 21.738  32.466  25.863 -0.8340
1    H 22.185  31.647  26.094  0.4170
1    H 21.277  32.167  25.069  0.4170
8    O 42.127  25.282  21.469 -0.8340
1    H 42.371  24.455  21.893  0.4170
1    H 42.665  25.299  20.624  0.4170
8    O  1.368  19.162  37.340 -0.8340
1    H  0.406  19.131  37.480  0.4170
1    H  1.612  19.765  38.049  0.4170
8    O 15.308  33.636  23.945 -0.8340
1    H 15.590  32.970  23.254  0.4170
1    H 16.192  33.784  24.278  0.4170
8    O  7.382  27.583  31.347 -0.8340
1    H  6.650  28.083  31.729  0.4170
1    H  6.923  27.083  30.612  0.4170
8    O  8.284   7.942   2.176 -0.8340
1    H  7.320   7.977   2.306  0.4170
1    H  8.444   8.882   1.999  0.4170
8    O  3.831   1.004  22.993 -0.8340
1    H  3.696   0.296  23.616  0.4170
1    H  3.437   1.756  23.385  0.4170
8    O 33.943  35.471  15.215 -0.8340
1    H 34.016  34.561  14.832  0.4170
1    H 33.071  35.320  15.672  0.4170
8    O 18.755  21.182   3.065 -0.8340
1    H 18.088  20.881   2.410  0.4170
1    H 18.203  21.886   3.525  0.4170
8    O 12.866  35.506  12.841 -0.8340
1    H 13.450  35.202  12.083  0.4170
1    H 13.577  35.498  13.541  0.4170
8    O  9.075   5.148  18.657 -0.8340
1    H  9.460   5.604  17.888  0.4170
1    H  8.949   4.254  18.281  0.4170
8    O 38.395  13.670   1.271 -0.8340
1    H 39.284  13.394   1.285  0.4170
1    H 38.038  13.514   2.164  0.4170
8    O 28.671  39.308   6.330 -0.8340
1    H 28.529  39.177   5.386  0.4170
1    H 29.321  40.053   6.301  0.4170
8    O  1.120  19.843  22.290 -0.8340
1    H  2.021  20.248  22.151  0.4170
1    H  1.292  18.975  21.784  0.4170
8    O 33.438  36.244  22.672 -0.8340
1    H 33.904  36.102  23.497  0.4170
1    H 32.519  36.254  23.050  0.4170
8    O 30.363  15.026  11.002 -0.8340
1    H 31.171  15.063  10.437  0.4170
1    H 30.801  14.985  11.933  0.4170
8    O 25.655  25.947   7.368 -0.8340
1    H 24.866  25.764   7.956  0.4170
1    H 25.208  26.292   6.600  0.4170
8    O 10.127  36.842  16.147 -0.8340
1    H 10.216  36.118  15.561  0.4170
1    H 11.020  37.232  16.159  0.4170
8    O 24.130  28.080  15.508 -0.8340
1    H 23.784  27.505  16.159  0.4170
1    H 24.656  27.515  14.968  0.4170
8    O 18.658  32.378  13.612 -0.8340
1    H 18.499  31.423  13.762  0.4170
1    H 18.000  32.505  12.906  0.4170
8    O 32.947  41.896  37.652 -0.8340
1    H 33.808  41.778  38.152  0.4170
1    H 33.270  42.528  36.957  0.4170
8    O  2.982  21.736  14.385 -0.8340
1    H  2.587  21.837  13.480  0.4170
1    H  3.872  22.013  14.242  0.4170
8    O 29.348  26.427   9.978 -0.8340
1    H 29.990  25.757   9.670  0.4170
1    H 28.522  25.807  10.116  0.4170
8    O  9.061  10.708  30.364 -0.8340
1    H  8.437  10.503  31.095  0.4170
1    H  9.907  10.375  30.673  0.4170
8    O  9.809   2.400  43.099 -0.8340
1    H 10.030   2.368  42.126  0.4170
1    H 10.081   1.447  43.272  0.4170
8    O  5.080  38.772  34.076 -0.8340
1    H  4.459  38.561  33.354  0.4170
1    H  4.982  38.055  34.660  0.4170
8    O  0.494   7.315  29.091 -0.8340
1    H  0.768   7.081  28.145  0.4170
1    H  1.075   8.122  29.163  0.4170
8    O 27.227  18.053  31.250 -0.8340
1    H 27.980  17.487  31.356  0.4170
1    H 26.715  17.583  30.567  0.4170
8    O 21.579  29.508  13.855 -0.8340
1    H 20.787  29.626  13.271  0.4170
1    H 21.939  28.731  13.458  0.4170
8    O 42.315  27.885  26.887 -0.8340
1    H 42.794  26.992  26.654  0.4170
1    H 43.122  28.410  27.051  0.4170
8    O  7.961  14.744  42.126 -0.8340
1    H  7.778  14.451  41.199  0.4170
1    H  7.032  15.176  42.221  0.4170
8    O  0.416  15.008  36.151 -0.8340
1    H -0.276  15.297  36.805  0.4170
1    H  1.125  15.656  36.362  0.4170
8    O  4.263   7.313  19.951 -0.8340
1    H  3.949   6.816  19.152  0.4170
1    H  5.031   7.783  19.549  0.4170
8    O 10.404  24.619  25.872 -0.8340
1    H 10.417  24.216  26.750  0.4170
1    H  9.651  24.243  25.465  0.4170
8    O 14.660  22.812  12.459 -0.8340
1    H 14.962  21.894  12.732  0.4170
1    H 15.580  23.220  12.421  0.4170
8    O  7.450   4.429  22.297 -0.8340
1    H  6.690   5.046  22.415  0.4170
1    H  7.158   3.747  21.651  0.4170
8    O 19.593   9.279  12.637 -0.8340
1    H 19.490  10.252  12.503  0.4170
1    H 19.966   9.310  13.562  0.4170
8    O 11.356   4.537   1.375 -0.8340
1    H 11.598   4.119   2.272  0.4170
1    H 10.974   3.734   0.951  0.4170
8    O 16.384  24.352   9.520 -0.8340
1    H 16.179  25.015  10.212  0.4170
1    H 17.386  24.381   9.593  0.4170
8    O 42.806  25.060  30.895 -0.8340
1    H 42.150  25.766  31.155  0.4170
1    H 43.093  25.426  29.989  0.4170
8    O 20.370  28.184  19.866 -0.8340
1    H 19.822  28.719  19.320  0.4170
1    H 19.798  27.590  20.336  0.4170
8    O 35.153   4.805  14.547 -0.8340
1    H 34.620   4.589  15.319  0.4170
1    H 34.470   5.224  13.985  0.4170
8    O 30.205  25.955  14.811 -0.8340
1    H 29.442  26.492  14.400  0.4170
1    H 30.222  26.512  15.649  0.4170
8    O 26.672  17.120   3.420 -0.8340
1    H 27.342  16.421   3.283  0.4170
1    H 26.653  17.562   2.516  0.4170
8    O 20.355  37.099  12.700 -0.8340
1    H 20.041  37.870  12.108  0.4170
1    H 19.757  37.323  13.459  0.4170
8    O 32.181  14.832  32.753 -0.8340
1    H 32.570  14.003  33.155  0.4170
1    H 31.760  14.432  31.938  0.4170
8    O 39.464  13.101  34.091 -0.8340
1    H 39.659  12.728  33.217  0.4170
1    H 39.872  13.967  33.959  0.4170
8    O 28.244  30.384   9.827 -0.8340
1    H 28.768  30.084   9.083  0.4170
1    H 27.990  29.467  10.206  0.4170
8    O 11.291  32.768  35.852 -0.8340
1    H 10.600  33.334  36.279  0.4170
1    H 11.847  32.515  36.628  0.4170
8    O 38.084  20.991   4.184 -0.8340
1    H 38.688  20.304   3.950  0.4170
1    H 38.503  21.453   4.962  0.4170
8    O 36.709   1.804  10.014 -0.8340
1    H 37.233   1.343  10.691  0.4170
1    H 36.493   2.689  10.424  0.4170
8    O 41.400  13.796  31.638 -0.8340
1    H 41.296  14.196  32.594  0.4170
1    H 42.193  14.262  31.359  0.4170
8    O 24.513   3.822  33.418 -0.8340
1    H 23.572   4.210  33.437  0.4170
1    H 24.245   2.948  33.731  0.4170
8    O  3.342  20.387  25.778 -0.8340
1    H  4.005  20.018  26.418  0.4170
1    H  3.940  20.873  25.133  0.4170
8    O 40.591   0.371  29.268 -0.8340
1    H 40.588   1.266  28.881  0.4170
1    H 41.525   0.248  29.359  0.4170
8    O 30.246   7.373  33.252 -0.8340
1    H 29.445   7.173  33.783  0.4170
1    H 30.073   6.743  32.487  0.4170
8    O 22.217  40.225  13.772 -0.8340
1    H 22.713  39.357  13.505  0.4170
1    H 22.212  40.081  14.765  0.4170
8    O 38.668  27.318   1.014 -0.8340
1    H 37.809  27.191   1.478  0.4170
1    H 39.019  28.018   1.588  0.4170
8    O  4.202  28.579  12.032 -0.8340
1    H  4.668  28.119  11.337  0.4170
1    H  3.283  28.166  11.943  0.4170
8    O 18.802   3.497  31.988 -0.8340
1    H 18.369   2.715  32.357  0.4170
1    H 19.643   3.161  31.625  0.4170
8    O  7.937  27.374   5.863 -0.8340
1    H  8.461  26.968   5.145  0.4170
1    H  8.132  26.790   6.563  0.4170
8    O 35.104   6.941  16.839 -0.8340
1    H 35.804   6.676  16.202  0.4170
1    H 35.647   7.332  17.577  0.4170
8    O 23.726  11.854  33.167 -0.8340
1    H 23.241  12.461  32.589  0.4170
1    H 23.478  12.266  34.045  0.4170
8    O 16.502   8.031   1.517 -0.8340
1    H 17.048   8.404   2.217  0.4170
1    H 16.558   7.076   1.668  0.4170
8    O 31.408  13.343  30.511 -0.8340
1    H 31.555  12.392  30.424  0.4170
1    H 30.873  13.595  29.768  0.4170
8    O 13.422  34.467  40.944 -0.8340
1    H 12.704  34.717  41.567  0.4170
1    H 14.075  34.019  41.509  0.4170
8    O  6.874  16.508  22.190 -0.8340
1    H  7.052  16.281  21.259  0.4170
1    H  6.352  15.739  22.433  0.4170
8    O 25.621  34.671  16.817 -0.8340
1    H 25.659  34.715  17.826  0.4170
1    H 24.658  34.563  16.725  0.4170
8    O 22.751   6.312  14.642 -0.8340
1    H 23.386   5.544  14.691  0.4170
1    H 23.202   6.806  13.914  0.4170
8    O  6.321  20.711  11.231 -0.8340
1    H  5.980  19.764  11.435  0.4170
1    H  6.005  20.817  10.307  0.4170
8    O 37.575  23.793  40.524 -0.8340
1    H 36.662  23.610  40.470  0.4170
1    H 37.758  24.479  39.831  0.4170
8    O  3.420   9.732  40.080 -0.8340
1    H  2.589   9.392  39.663  0.4170
1    H  4.111   9.463  39.455  0.4170
8    O 20.958  28.844  16.444 -0.8340
1    H 21.236  29.021  15.543  0.4170
1    H 21.694  28.272  16.756  0.4170
8    O  1.627  30.963  24.710 -0.8340
1    H  1.403  31.845  25.106  0.4170
1    H  1.074  30.380  25.224  0.4170
8    O 41.802   4.942   6.560 -0.8340
1    H 42.332   5.249   5.782  0.4170
1    H 41.229   4.242   6.071  0.4170
8    O 36.194  31.606  29.695 -0.8340
1    H 36.628  32.225  30.317  0.4170
1    H 35.689  31.049  30.300  0.4170
8    O  5.308  37.410  11.788 -0.8340
1    H  5.612  38.336  11.713  0.4170
1    H  5.192  37.196  10.816  0.4170
8    O  2.756  20.444  31.775 -0.8340
1    H  2.834  21.318  32.291  0.4170
1    H  2.846  19.855  32.532  0.4170
8    O 38.076  14.675   6.415 -0.8340
1    H 37.230  14.892   6.803  0.4170
1    H 38.610  15.506   6.541  0.4170
8    O 42.587  12.735  18.390 -0.8340
1    H 42.223  13.628  18.228  0.4170
1    H 43.477  12.880  18.720  0.4170
8    O 35.135  16.740  32.294 -0.8340
1    H 34.598  17.358  32.806  0.4170
1    H 34.656  15.887  32.391  0.4170
8    O 10.281  32.119  14.631 -0.8340
1    H 10.451  31.104  14.729  0.4170
1    H  9.407  32.046  14.091  0.4170
8    O 35.398  21.508  26.810 -0.8340
1    H 34.599  21.074  27.114  0.4170
1    H 35.084  21.809  25.930  0.4170
8    O 11.130  42.409   0.720 -0.8340
1    H 11.155  42.056  -0.210  0.4170
1    H 12.034  42.243   0.976  0.4170
8    O 41.611   3.857   0.430 -0.8340
1    H 42.339   3.246   0.370  0.4170
1    H 41.077   3.418   1.119  0.4170
8    O  9.440   6.894  41.440 -0.8340
1    H  9.208   7.759  41.727  0.4170
1    H 10.373   6.810  41.523  0.4170
8    O  7.448  26.550  17.711 -0.8340
1    H  8.304  26.066  17.867  0.4170
1    H  7.834  27.346  17.259  0.4170
8    O 15.864  31.767   2.935 -0.8340
1    H 14.887  31.683   2.698  0.4170
1    H 15.707  32.000   3.863  0.4170
8    O 29.891  22.397   3.694 -0.8340
1    H 29.868  21.629   3.141  0.4170
1    H 30.049  22.157   4.575  0.4170
8    O 28.388   3.262  21.560 -0.8340
1    H 28.740   4.055  21.099  0.4170
1    H 28.246   2.613  20.860  0.4170
8    O 20.526   8.587  33.239 -0.8340
1    H 20.089   9.437  33.275  0.4170
1    H 20.157   8.194  32.437  0.4170
8    O 36.294  39.933   7.949 -0.8340
1    H 35.446  40.427   7.972  0.4170
1    H 36.774  40.548   7.325  0.4170
8    O 33.975  26.748  40.425 -0.8340
1    H 33.966  26.267  39.548  0.4170
1    H 34.816  27.221  40.337  0.4170
8    O 35.203  16.655   1.196 -0.8340
1    H 35.056  15.639   1.161  0.4170
1    H 35.965  16.724   0.662  0.4170
8    O 33.034  25.561  16.909 -0.8340
1    H 32.665  26.158  17.611  0.4170
1    H 32.751  24.688  17.282  0.4170
8    O  4.187  20.309  41.743 -0.8340
1    H  3.543  20.854  42.268  0.4170
1    H  3.903  19.408  42.069  0.4170
8    O 31.368  33.385  41.824 -0.8340
1    H 31.274  33.334  42.795  0.4170
1    H 30.427  33.412  41.558  0.4170
8    O 20.381  26.265  25.247 -0.8340
1    H 20.970  25.758  25.807  0.4170
1    H 20.413  27.158  25.621  0.4170
8    O 40.852  27.215  24.801 -0.8340
1    H 41.208  26.266  24.752  0.4170
1    H 41.048  27.376  25.749  0.4170
8    O 24.255  13.138   8.856 -0.8340
1    H 23.554  12.462   9.182  0.4170
1    H 25.032  12.832   9.264  0.4170
8    O 28.022  33.448  27.306 -0.8340
1    H 28.055  34.342  27.139  0.4170
1    H 28.698  33.077  26.676  0.4170
8    O 38.136   8.472  12.280 -0.8340
1    H 38.520   8.332  13.183  0.4170
1    H 38.086   9.412  12.211  0.4170
8    O  0.761  35.321  37.470 -0.8340
1    H  1.426  35.220  36.718  0.4170
1    H  0.091  35.829  36.966  0.4170
8    O 24.262  39.378  10.350 -0.8340
1    H 25.164  39.015  10.792  0.4170
1    H 24.517  40.301  10.442  0.4170
8    O 37.736  13.673   3.926 -0.8340
1    H 37.982  14.073   4.809  0.4170
1    H 37.263  12.865   4.311  0.4170
8    O  1.377  27.517  11.975 -0.8340
1    H  1.028  27.137  11.140  0.4170
1    H  0.536  27.879  12.324  0.4170
8    O  2.907  31.812   3.829 -0.8340
1    H  1.986  31.630   3.546  0.4170
1    H  3.105  32.583   3.292  0.4170
8    O 40.483   4.506  17.141 -0.8340
1    H 40.245   4.534  18.053  0.4170
1    H 39.916   3.780  16.846  0.4170
8    O 22.405  11.372  29.399 -0.8340
1    H 21.500  11.032  29.450  0.4170
1    H 22.356  12.225  29.909  0.4170
8    O 36.227  35.785  28.924 -0.8340
1    H 35.386  35.401  28.577  0.4170
1    H 36.448  36.316  28.130  0.4170
8    O 22.896  22.409   5.084 -0.8340
1    H 23.050  22.674   4.177  0.4170
1    H 22.032  21.866   4.980  0.4170
8    O 27.984  19.035   5.736 -0.8340
1    H 28.723  19.262   5.070  0.4170
1    H 27.746  18.169   5.256  0.4170
8    O 24.717  31.753  28.252 -0.8340
1    H 24.017  31.832  28.953  0.4170
1    H 25.135  32.659  28.423  0.4170
8    O 38.407  32.757  39.715 -0.8340
1    H 37.574  33.217  39.933  0.4170
1    H 38.255  32.726  38.743  0.4170
8    O 22.986  34.175  22.092 -0.8340
1    H 22.412  33.521  21.638  0.4170
1    H 23.339  33.540  22.747  0.4170
8    O 36.539  41.300   0.904 -0.8340
1    H 37.511  41.069   0.962  0.4170
1    H 36.232  40.428   0.458  0.4170
8    O  2.696  13.601  26.304 -0.8340
1    H  2.807  14.465  26.709  0.4170
1    H  3.557  13.190  26.440  0.4170
8    O 12.256   8.172  18.404 -0.8340
1    H 11.739   8.300  19.263  0.4170
1    H 12.644   9.131  18.335  0.4170
8    O 35.680  37.418   9.797 -0.8340
1    H 35.963  37.132   8.909  0.4170
1    H 35.513  38.350   9.573  0.4170
8    O  7.120  24.554  30.481 -0.8340
1    H  6.659  25.178  29.902  0.4170
1    H  6.466  24.570  31.257  0.4170
8    O 35.144  24.147   9.489 -0.8340
1    H 35.099  23.407   8.833  0.4170
1    H 35.755  23.834  10.137  0.4170
8    O 15.253   5.669   2.356 -0.8340
1    H 15.715   4.801   2.396  0.4170
1    H 15.120   5.855   3.285  0.4170
8    O 26.221   8.411  33.281 -0.8340
1    H 26.150   7.534  33.814  0.4170
1    H 25.286   8.568  33.017  0.4170
8    O 38.362  33.385  23.493 -0.8340
1    H 37.745  32.704  23.912  0.4170
1    H 39.218  33.067  23.914  0.4170
8    O 29.075  22.955  11.033 -0.8340
1    H 28.352  23.597  11.110  0.4170
1    H 29.613  23.060  11.874  0.4170
8    O 40.382  32.068  24.905 -0.8340
1    H 40.527  31.098  24.838  0.4170
1    H 40.598  32.210  25.835  0.4170
8    O 21.976  10.708  26.466 -0.8340
1    H 22.040   9.879  27.019  0.4170
1    H 22.481  11.298  27.139  0.4170
8    O  7.278  37.590  20.297 -0.8340
1    H  6.655  37.671  21.111  0.4170
1    H  6.598  37.629  19.588  0.4170
8    O 20.616  17.585  40.930 -0.8340
1    H 21.231  16.869  41.130  0.4170
1    H 21.109  18.327  41.434  0.4170
8    O  7.596  30.259   6.016 -0.8340
1    H  7.744  29.299   5.930  0.4170
1    H  6.974  30.311   6.772  0.4170
8    O  5.548  40.260  21.240 -0.8340
1    H  5.776  40.139  20.307  0.4170
1    H  5.638  39.357  21.577  0.4170
8    O 37.714  15.297  35.499 -0.8340
1    H 37.653  15.799  34.640  0.4170
1    H 38.507  14.793  35.382  0.4170
8    O 14.647  34.682  10.795 -0.8340
1    H 14.208  35.308  10.212  0.4170
1    H 14.493  33.863  10.306  0.4170
8    O 15.883  15.315  11.512 -0.8340
1    H 15.329  14.782  10.862  0.4170
1    H 15.989  16.159  11.054  0.4170
8    O  4.922  35.654  25.339 -0.8340
1    H  5.895  35.408  25.358  0.4170
1    H  4.976  36.633  25.269  0.4170
8    O  5.935  15.238  36.045 -0.8340
1    H  5.418  14.536  35.576  0.4170
1    H  6.029  15.935  35.370  0.4170
8    O  9.568  38.278  18.553 -0.8340
1    H  9.644  37.716  17.771  0.4170
1    H  8.996  37.716  19.106  0.4170
8    O 33.830  28.450  14.993 -0.8340
1    H 33.622  27.547  15.239  0.4170
1    H 33.838  28.365  14.023  0.4170
8    O  8.287  31.664  29.237 -0.8340
1    H  8.107  30.868  28.738  0.4170
1    H  9.301  31.638  29.146  0.4170
8    O 28.186  43.008  24.082 -0.8340
1    H 29.157  42.929  23.836  0.4170
1    H 27.813  42.571  23.272  0.4170
8    O 36.884  20.997  42.380 -0.8340
1    H 36.778  20.435  41.598  0.4170
1    H 36.521  21.794  41.947  0.4170
8    O 42.273  15.836  28.315 -0.8340
1    H 42.989  16.219  28.819  0.4170
1    H 42.239  16.383  27.523  0.4170
8    O 17.945  34.757  17.994 -0.8340
1    H 17.732  35.669  17.693  0.4170
1    H 18.357  34.390  17.222  0.4170
8    O  7.137  23.296   5.375 -0.8340
1    H  7.698  24.125   5.224  0.4170
1    H  6.809  23.200   4.448  0.4170
8    O 11.927  35.790  35.186 -0.8340
1    H 11.497  34.965  35.406  0.4170
1    H 12.389  35.917  36.097  0.4170
8    O 29.061  19.534  23.323 -0.8340
1    H 28.300  19.035  23.486  0.4170
1    H 29.525  19.001  22.607  0.4170
8    O  3.621  21.439  37.791 -0.8340
1    H  4.334  20.888  38.046  0.4170
1    H  2.986  21.147  38.512  0.4170
8    O 11.350  36.080  23.451 -0.8340
1    H 10.824  35.345  23.819  0.4170
1    H 10.857  36.797  23.813  0.4170
8    O  7.775  40.195  32.630 -0.8340
1    H  8.191  40.785  32.019  0.4170
1    H  8.586  39.607  32.844  0.4170
8    O  5.813  16.241  42.260 -0.8340
1    H  5.122  16.324  41.611  0.4170
1    H  5.329  16.414  43.080  0.4170
8    O 41.508  23.025   7.020 -0.8340
1    H 42.236  23.113   6.334  0.4170
1    H 42.114  22.839   7.766  0.4170
8    O 19.428  40.519  24.098 -0.8340
1    H 20.051  41.155  23.668  0.4170
1    H 18.989  41.110  24.705  0.4170
8    O 19.360  13.483  41.889 -0.8340
1    H 18.610  13.027  41.598  0.4170
1    H 19.831  13.685  41.031  0.4170
8    O 31.882  30.495  20.510 -0.8340
1    H 31.425  31.289  20.833  0.4170
1    H 31.131  29.846  20.365  0.4170
8    O 33.214   9.604  12.670 -0.8340
1    H 32.645   8.909  12.265  0.4170
1    H 33.434   9.168  13.484  0.4170
8    O 24.992  41.647  20.565 -0.8340
1    H 25.591  41.581  21.369  0.4170
1    H 24.442  40.826  20.693  0.4170
8    O 35.231  21.476  38.904 -0.8340
1    H 34.369  21.087  38.650  0.4170
1    H 35.030  21.920  39.760  0.4170
8    O 33.450  19.365  27.202 -0.8340
1    H 33.465  18.849  28.052  0.4170
1    H 32.611  19.763  27.203  0.4170
8    O 36.679   0.754  14.351 -0.8340
1    H 36.469  -0.156  14.463  0.4170
1    H 37.115   1.040  15.226  0.4170
8    O 29.389  28.790  24.456 -0.8340
1    H 30.025  29.286  24.935  0.4170
1    H 29.246  29.316  23.668  0.4170
8    O 27.467  31.037  31.643 -0.8340
1    H 27.193  30.532  30.813  0.4170
1    H 27.761  31.867  31.167  0.4170
8    O 26.792  38.367  16.117 -0.8340
1    H 26.542  37.535  15.539  0.4170
1    H 27.358  37.894  16.770  0.4170
8    O 37.108  16.754  41.797 -0.8340
1    H 36.413  16.538  41.072  0.4170
1    H 37.511  15.829  41.785  0.4170
8    O 40.120  16.393  17.054 -0.8340
1    H 39.186  16.427  16.747  0.4170
1    H 40.284  17.313  17.316  0.4170
8    O  2.073  28.290  43.090 -0.8340
1    H  2.140  29.257  43.156  0.4170
1    H  2.205  28.163  42.122  0.4170
8    O 17.431  33.108   1.429 -0.8340
1    H 18.148  33.458   2.003  0.4170
1    H 16.992  32.465   2.049  0.4170
8    O 35.692   1.095  22.800 -0.8340
1    H 35.755   1.144  21.800  0.4170
1    H 35.728   0.104  22.883  0.4170
8    O 35.032   2.315  25.363 -0.8340
1    H 35.431   1.709  26.071  0.4170
1    H 35.149   1.671  24.574  0.4170
8    O  2.266   5.998  39.485 -0.8340
1    H  1.716   6.535  40.042  0.4170
1    H  1.751   5.761  38.739  0.4170
8    O 41.953  22.592  30.132 -0.8340
1    H 41.585  23.021  29.332  0.4170
1    H 42.306  23.414  30.556  0.4170
8    O 11.468  11.633  26.726 -0.8340
1    H 12.241  11.811  26.124  0.4170
1    H 11.824  10.842  27.184  0.4170
8    O 26.649   2.675  17.794 -0.8340
1    H 26.379   3.605  18.005  0.4170
1    H 25.831   2.317  17.428  0.4170
8    O 31.093  22.409   0.423 -0.8340
1    H 31.763  21.856  -0.112  0.4170
1    H 31.568  23.265   0.398  0.4170
8    O 30.405  37.893  15.930 -0.8340
1    H 31.103  38.165  16.602  0.4170
1    H 29.685  37.667  16.446  0.4170
8    O 17.003  17.447   8.846 -0.8340
1    H 16.854  18.000   8.046  0.4170
1    H 16.881  17.983   9.586  0.4170
8    O 26.184  20.234  34.761 -0.8340
1    H 26.085  19.268  34.963  0.4170
1    H 26.628  20.477  35.644  0.4170
8    O 21.837  35.004   3.100 -0.8340
1    H 22.189  35.056   4.041  0.4170
1    H 22.619  34.484   2.721  0.4170
8    O 22.661   4.495   3.782 -0.8340
1    H 23.625   4.414   3.700  0.4170
1    H 22.458   3.733   4.368  0.4170
8    O 23.134  12.430  38.099 -0.8340
1    H 22.412  11.777  38.266  0.4170
1    H 23.408  12.664  39.008  0.4170
8    O 21.849  19.582  42.278 -0.8340
1    H 22.742  19.889  42.566  0.4170
1    H 21.410  20.436  42.100  0.4170
8    O 37.999   4.205  14.470 -0.8340
1    H 37.081   4.526  14.317  0.4170
1    H 38.387   4.332  13.547  0.4170
8    O 12.311  31.785  38.155 -0.8340
1    H 12.574  31.400  39.031  0.4170
1    H 12.093  30.904  37.738  0.4170
8    O 37.757  41.990   6.989 -0.8340
1    H 38.052  42.889   7.281  0.4170
1    H 36.933  42.283   6.529  0.4170
8    O  0.637  28.179  19.376 -0.8340
1    H  0.922  27.271  19.145  0.4170
1    H  1.416  28.604  19.729  0.4170
8    O 18.878  31.363  26.365 -0.8340
1    H 19.355  31.925  26.992  0.4170
1    H 18.582  31.992  25.674  0.4170
8    O 11.817  20.125  24.668 -0.8340
1    H 11.068  20.221  24.029  0.4170
1    H 12.108  21.094  24.619  0.4170
8    O 10.049  41.780  35.237 -0.8340
1    H  9.228  41.308  35.424  0.4170
1    H  9.939  41.984  34.309  0.4170
8    O  7.273   7.725   9.940 -0.8340
1    H  7.116   8.381  10.563  0.4170
1    H  6.470   7.146   9.947  0.4170
8    O  7.052  14.818  20.100 -0.8340
1    H  6.137  14.538  19.996  0.4170
1    H  7.483  13.906  20.102  0.4170
8    O  5.771  31.304  25.924 -0.8340
1    H  6.675  30.920  26.043  0.4170
1    H  5.516  30.842  25.054  0.4170
8    O 40.017  18.850   4.159 -0.8340
1    H 39.800  17.966   3.847  0.4170
1    H 40.969  18.942   4.017  0.4170
8    O 16.806  18.251  27.670 -0.8340
1    H 16.423  18.522  26.818  0.4170
1    H 17.477  18.990  27.774  0.4170
8    O 40.373  34.119   3.638 -0.8340
1    H 40.319  35.006   3.312  0.4170
1    H 40.689  33.660   2.800  0.4170
8    O 19.437   3.394   0.944 -0.8340
1    H 19.659   2.921   1.687  0.4170
1    H 19.587   2.758   0.264  0.4170
8    O 31.031  29.620   3.895 -0.8340
1    H 32.022  29.671   3.899  0.4170
1    H 30.946  28.698   4.262  0.4170
8    O 15.605  28.216  20.283 -0.8340
1    H 16.545  27.917  20.388  0.4170
1    H 15.200  27.657  20.932  0.4170
8    O  4.700   7.171  12.277 -0.8340
1    H  4.807   6.601  11.459  0.4170
1    H  5.489   6.850  12.776  0.4170
8    O  4.018  13.697  21.809 -0.8340
1    H  4.222  13.469  20.872  0.4170
1    H  4.890  13.605  22.175  0.4170
8    O 36.979  40.136  40.342 -0.8340
1    H 36.767  39.872  41.255  0.4170
1    H 37.949  40.064  40.339  0.4170
8    O 20.707  12.467   1.382 -0.8340
1    H 21.332  11.881   0.896  0.4170
1    H 20.216  12.943   0.742  0.4170
8    O 29.207   5.801  12.501 -0.8340
1    H 28.430   6.422  12.631  0.4170
1    H 29.620   5.796  13.406  0.4170
8    O 39.872  34.176  28.372 -0.8340
1    H 39.608  34.942  27.861  0.4170
1    H 39.081  34.133  28.941  0.4170
8    O 13.814  12.723  28.334 -0.8340
1    H 13.498  12.032  29.000  0.4170
1    H 13.629  12.292  27.503  0.4170
8    O  6.094  15.737  38.749 -0.8340
1    H  5.256  16.088  39.145  0.4170
1    H  5.872  15.756  37.782  0.4170
8    O 39.095  30.547  31.369 -0.8340
1    H 39.033  30.929  32.268  0.4170
1    H 39.297  31.296  30.844  0.4170
8    O 18.129  31.090  30.891 -0.8340
1    H 17.224  31.313  30.694  0.4170
1    H 18.292  31.695  31.666  0.4170
8    O 41.917  23.284  38.326 -0.8340
1    H 41.972  24.252  38.422  0.4170
1    H 41.135  23.032  38.872  0.4170
8    O 14.525  37.150  18.911 -0.8340
1    H 13.733  37.590  19.367  0.4170
1    H 15.134  37.214  19.728  0.4170
8    O  3.718   9.747  12.267 -0.8340
1    H  3.834   9.922  11.248  0.4170
1    H  4.220   8.899  12.355  0.4170
8    O 17.175   4.053  36.635 -0.8340
1    H 16.294   4.436  36.962  0.4170
1    H 17.172   4.338  35.753  0.4170
8    O 37.880  16.408  32.712 -0.8340
1    H 37.918  15.666  32.072  0.4170
1    H 36.934  16.683  32.496  0.4170
8    O  2.309  17.938  11.600 -0.8340
1    H  1.711  18.629  11.958  0.4170
1    H  1.866  17.103  11.838  0.4170
8    O 36.227  23.489  21.453 -0.8340
1    H 36.983  23.182  20.932  0.4170
1    H 35.952  22.635  21.849  0.4170
8    O 31.994  13.571  20.491 -0.8340
1    H 32.220  12.761  20.023  0.4170
1    H 31.748  14.166  19.707  0.4170
8    O  6.290  11.437  11.147 -0.8340
1    H  6.422  10.604  11.552  0.4170
1    H  7.215  11.463  10.695  0.4170
8    O 27.571  23.282  32.306 -0.8340
1    H 27.697  24.203  32.586  0.4170
1    H 27.781  22.805  33.100  0.4170
8    O  2.540  26.080  21.583 -0.8340
1    H  2.799  27.011  21.394  0.4170
1    H  1.859  25.935  20.922  0.4170
8    O 33.076  12.561  36.058 -0.8340
1    H 33.491  12.297  35.192  0.4170
1    H 33.781  13.141  36.411  0.4170
8    O 20.687  -0.326  22.874 -0.8340
1    H 21.437   0.173  23.127  0.4170
1    H 20.411   0.212  22.089  0.4170
8    O 29.838  17.119  39.657 -0.8340
1    H 29.457  17.367  40.528  0.4170
1    H 29.836  16.153  39.742  0.4170
8    O  8.861   8.483  13.879 -0.8340
1    H  9.805   8.149  13.829  0.4170
1    H  9.080   9.236  14.506  0.4170
8    O  0.795  15.540  11.680 -0.8340
1    H -0.148  15.601  11.599  0.4170
1    H  0.952  14.641  11.997  0.4170
8    O 13.291  18.019  29.491 -0.8340
1    H 12.700  17.224  29.477  0.4170
1    H 12.540  18.674  29.474  0.4170
8    O 27.286  21.583   3.062 -0.8340
1    H 26.811  21.315   3.927  0.4170
1    H 28.010  22.198   3.404  0.4170
8    O  6.282  24.733  11.808 -0.8340
1    H  5.316  24.835  12.034  0.4170
1    H  6.607  25.590  12.086  0.4170
8    O 16.344   8.221  41.626 -0.8340
1    H 16.375   8.118  42.630  0.4170
1    H 17.175   7.804  41.378  0.4170
8    O 35.809  38.242  38.676 -0.8340
1    H 35.343  37.558  39.225  0.4170
1    H 36.092  38.895  39.381  0.4170
8    O  0.216  12.417  26.234 -0.8340
1    H -0.090  13.146  25.641  0.4170
1    H  1.193  12.625  26.143  0.4170
8    O 12.262   0.874   7.590 -0.8340
1    H 11.499   0.325   7.882  0.4170
1    H 11.800   1.712   7.273  0.4170
8    O 36.443   7.221   5.955 -0.8340
1    H 36.948   7.721   6.664  0.4170
1    H 36.638   6.307   6.175  0.4170
8    O 16.042  12.449   2.222 -0.8340
1    H 16.051  12.094   3.123  0.4170
1    H 15.911  11.678   1.679  0.4170
8    O  4.429  30.001  23.728 -0.8340
1    H  3.698  30.577  24.011  0.4170
1    H  4.544  30.323  22.813  0.4170
8    O 17.051   7.680  31.335 -0.8340
1    H 17.356   8.372  30.666  0.4170
1    H 16.118   7.655  31.131  0.4170
8    O 28.036  13.255  24.109 -0.8340
1    H 27.564  13.364  23.274  0.4170
1    H 28.958  13.619  23.857  0.4170
8    O 17.143   8.068   6.767 -0.8340
1    H 16.582   8.836   6.793  0.4170
1    H 17.334   7.888   7.697  0.4170
8    O 39.082  28.238  21.224 -0.8340
1    H 39.242  27.305  21.055  0.4170
1    H 40.028  28.535  21.323  0.4170
8    O 31.019  15.691  18.787 -0.8340
1    H 31.343  16.540  18.886  0.4170
1    H 30.707  15.619  17.871  0.4170
8    O 13.576  19.609   3.780 -0.8340
1    H 12.983  18.980   3.192  0.4170
1    H 13.536  20.323   3.062  0.4170
8    O 42.498  36.004  19.996 -0.8340
1    H 43.048  35.464  19.369  0.4170
1    H 41.625  35.856  19.605  0.4170
8    O 30.593   1.384   7.425 -0.8340
1    H 30.417   1.031   8.292  0.4170
1    H 30.215   2.304   7.482  0.4170
8    O 25.453  11.520  19.177 -0.8340
1    H 24.806  11.775  19.860  0.4170
1    H 24.884  11.497  18.394  0.4170
8    O  4.668  21.758  23.766 -0.8340
1    H  4.139  22.413  23.283  0.4170
1    H  5.548  22.189  23.811  0.4170
8    O 32.484  38.727  24.730 -0.8340
1    H 32.576  39.701  24.606  0.4170
1    H 32.786  38.588  25.652  0.4170
8    O 39.482   0.238   3.811 -0.8340
1    H 38.572   0.543   3.791  0.4170
1    H 39.940   0.884   3.291  0.4170
8    O 17.564  39.790  26.670 -0.8340
1    H 17.276  39.151  27.423  0.4170
1    H 17.681  39.070  25.962  0.4170
8    O  5.459  37.753  22.236 -0.8340
1    H  4.769  37.115  21.837  0.4170
1    H  5.026  37.806  23.114  0.4170
8    O 14.878  10.274   0.530 -0.8340
1    H 15.074   9.650   1.252  0.4170
1    H 14.058   9.854   0.159  0.4170
8    O 30.853  20.752  19.908 -0.8340
1    H 30.789  19.800  20.130  0.4170
1    H 31.779  20.825  19.721  0.4170
8    O 41.003  28.948  33.768 -0.8340
1    H 41.635  28.828  33.028  0.4170
1    H 41.163  28.109  34.222  0.4170
8    O  0.897  26.047   6.940 -0.8340
1    H  1.360  26.972   6.762  0.4170
1    H  0.225  26.073   6.265  0.4170
8    O 22.803  42.832  13.148 -0.8340
1    H 22.413  41.926  13.155  0.4170
1    H 22.952  43.056  14.036  0.4170
8    O  6.523  17.202  16.660 -0.8340
1    H  6.372  16.952  15.691  0.4170
1    H  5.802  16.663  17.063  0.4170
8    O 30.876  20.603  39.881 -0.8340
1    H 30.197  21.089  39.504  0.4170
1    H 31.056  19.867  39.219  0.4170
8    O 33.202  42.240   2.688 -0.8340
1    H 32.624  42.257   1.907  0.4170
1    H 34.044  42.566   2.318  0.4170
8    O  5.224  18.153  24.520 -0.8340
1    H  6.023  18.676  24.285  0.4170
1    H  5.165  18.519  25.446  0.4170
8    O  3.072  13.014   8.577 -0.8340
1    H  3.745  13.684   8.359  0.4170
1    H  2.344  13.523   8.986  0.4170
8    O 42.006   5.877  15.538 -0.8340
1    H 42.831   5.502  15.892  0.4170
1    H 41.331   5.287  16.017  0.4170
8    O 13.538  36.102  37.277 -0.8340
1    H 14.379  36.593  36.945  0.4170
1    H 13.543  36.467  38.149  0.4170
8    O 13.475  24.812   4.982 -0.8340
1    H 12.959  25.237   4.274  0.4170
1    H 13.944  24.127   4.433  0.4170
8    O 20.664   5.389  13.368 -0.8340
1    H 20.404   4.718  14.065  0.4170
1    H 21.411   5.816  13.824  0.4170
8    O 13.527  41.342  19.380 -0.8340
1    H 13.075  42.221  19.606  0.4170
1    H 12.705  40.786  19.287  0.4170
8    O 22.412   1.780  22.647 -0.8340
1    H 22.579   2.735  22.641  0.4170
1    H 23.428   1.505  22.654  0.4170
8    O 37.521  20.044  12.468 -0.8340
1    H 38.389  20.242  12.107  0.4170
1    H 37.260  20.913  12.779  0.4170
8    O 39.844  22.579  25.540 -0.8340
1    H 39.076  23.185  25.402  0.4170
1    H 39.460  22.078  26.319  0.4170
8    O  4.994  18.402  12.119 -0.8340
1    H  4.772  17.965  12.941  0.4170
1    H  4.078  18.542  11.721  0.4170
8    O  6.895  18.190  40.746 -0.8340
1    H  6.693  17.683  41.526  0.4170
1    H  7.883  18.225  40.835  0.4170
8    O  5.635  10.360  19.135 -0.8340
1    H  4.957  10.524  18.458  0.4170
1    H  5.055  10.540  19.935  0.4170
8    O 16.054  28.452   8.357 -0.8340
1    H 15.833  27.719   7.711  0.4170
1    H 15.531  28.188   9.117  0.4170
8    O 15.517  23.294  29.216 -0.8340
1    H 15.762  24.043  28.616  0.4170
1    H 16.434  23.151  29.633  0.4170
8    O 39.961  24.854  11.098 -0.8340
1    H 39.641  23.959  11.032  0.4170
1    H 39.788  25.111  12.020  0.4170
8    O 10.876  29.170  15.311 -0.8340
1    H 11.348  28.461  15.750  0.4170
1    H 11.386  29.235  14.447  0.4170
8    O 40.814   0.634  33.647 -0.8340
1    H 41.784   0.565  33.596  0.4170
1    H 40.691   1.558  33.412  0.4170
8    O 16.362   4.689  12.229 -0.8340
1    H 16.515   5.212  13.080  0.4170
1    H 17.221   4.781  11.877  0.4170
8    O 34.303  12.917  24.986 -0.8340
1    H 34.453  12.350  24.150  0.4170
1    H 35.113  13.428  24.989  0.4170
8    O 18.239  11.452   6.185 -0.8340
1    H 17.616  11.336   5.495  0.4170
1    H 19.037  11.501   5.607  0.4170
8    O 13.176  40.764  28.028 -0.8340
1    H 12.876  41.067  27.120  0.4170
1    H 12.300  40.813  28.504  0.4170
8    O 30.479  23.957  20.324 -0.8340
1    H 30.443  24.811  20.802  0.4170
1    H 30.727  23.363  21.068  0.4170
8    O 42.138  12.291  41.187 -0.8340
1    H 42.543  11.773  41.907  0.4170
1    H 42.913  12.656  40.775  0.4170
8    O 11.013  36.508  32.555 -0.8340
1    H 10.549  35.789  32.054  0.4170
1    H 11.459  35.973  33.246  0.4170
8    O 10.559  14.898  40.937 -0.8340
1    H 10.600  15.911  40.906  0.4170
1    H 10.164  14.789  40.024  0.4170
8    O 30.022  14.431  41.205 -0.8340
1    H 29.949  13.526  41.469  0.4170
1    H 29.687  14.482  40.303  0.4170
8    O  5.836  27.149  -0.003 -0.8340
1    H  6.297  26.827   0.805  0.4170
1    H  4.884  26.979   0.188  0.4170
8    O 23.575  35.438  25.196 -0.8340
1    H 23.023  35.233  25.973  0.4170
1    H 23.996  34.544  25.037  0.4170
8    O 28.466  12.812   8.072 -0.8340
1    H 28.314  13.559   7.381  0.4170
1    H 28.037  13.173   8.826  0.4170
8    O 35.565  14.035   1.200 -0.8340
1    H 36.507  13.930   1.269  0.4170
1    H 35.238  13.177   1.561  0.4170
8    O 17.793  21.829  29.972 -0.8340
1    H 18.238  21.170  29.396  0.4170
1    H 17.840  21.305  30.790  0.4170
8    O 39.002  39.823   6.091 -0.8340
1    H 38.585  40.595   6.374  0.4170
1    H 38.489  39.627   5.225  0.4170
8    O 26.417   7.750  41.067 -0.8340
1    H 26.321   7.010  40.378  0.4170
1    H 27.184   8.234  40.694  0.4170
8    O 35.971  33.781  40.088 -0.8340
1    H 35.339  34.003  40.797  0.4170
1    H 35.432  34.107  39.335  0.4170
8    O 28.394  33.523   0.776 -0.8340
1    H 28.611  33.862   1.649  0.4170
1    H 28.513  32.535   0.936  0.4170
8    O  6.850   2.475  20.681 -0.8340
1    H  6.367   1.631  20.991  0.4170
1    H  6.513   2.414  19.789  0.4170
8    O  8.185  10.635   1.698 -0.8340
1    H  8.102  11.615   1.786  0.4170
1    H  7.207  10.482   1.639  0.4170
8    O 17.228  23.095   4.494 -0.8340
1    H 17.434  23.936   4.984  0.4170
1    H 16.447  22.777   5.089  0.4170
8    O  0.671  22.806   5.154 -0.8340
1    H  1.635  22.761   5.372  0.4170
1    H  0.738  23.348   4.275  0.4170
8    O 33.339  37.498  13.701 -0.8340
1    H 33.529  36.767  14.293  0.4170
1    H 33.640  37.088  12.856  0.4170
8    O 23.864  32.612  16.784 -0.8340
1    H 23.673  31.790  17.342  0.4170
1    H 24.547  32.171  16.171  0.4170
8    O 26.852  33.086  15.233 -0.8340
1    H 26.432  33.641  15.995  0.4170
1    H 26.275  33.421  14.546  0.4170
8    O 25.161  14.002  36.342 -0.8340
1    H 24.233  13.937  36.166  0.4170
1    H 25.541  13.120  36.097  0.4170
8    O  1.494  38.832  23.548 -0.8340
1    H  0.594  39.040  23.843  0.4170
1    H  1.320  38.214  22.822  0.4170
8    O 39.257   0.624  42.076 -0.8340
1    H 38.732   1.333  42.503  0.4170
1    H 40.064   0.555  42.673  0.4170
8    O 38.405  31.270  19.866 -0.8340
1    H 39.043  32.021  19.758  0.4170
1    H 38.585  30.976  20.764  0.4170
8    O 26.895  29.396  29.489 -0.8340
1    H 26.325  28.638  29.256  0.4170
1    H 26.924  29.840  28.593  0.4170
8    O 28.791  19.907  36.307 -0.8340
1    H 29.535  20.576  36.300  0.4170
1    H 28.099  20.447  36.740  0.4170
8    O 35.794  14.277  12.767 -0.8340
1    H 35.512  13.754  11.965  0.4170
1    H 36.403  14.898  12.276  0.4170
8    O  1.286  18.157  28.755 -0.8340
1    H  0.673  18.627  29.315  0.4170
1    H  2.149  18.474  29.183  0.4170
8    O 11.160   9.237  30.855 -0.8340
1    H 11.338   8.924  31.815  0.4170
1    H 11.180   8.287  30.451  0.4170
8    O 15.916   0.650   2.076 -0.8340
1    H 16.405   0.042   2.718  0.4170
1    H 15.076   0.168   2.104  0.4170
8    O  5.176  26.187  14.396 -0.8340
1    H  4.493  25.868  13.773  0.4170
1    H  5.666  26.812  13.800  0.4170
8    O 39.914  20.557  11.277 -0.8340
1    H 40.612  19.832  11.392  0.4170
1    H 40.118  20.843  10.404  0.4170
8    O  3.954  31.114   9.839 -0.8340
1    H  3.600  30.597  10.579  0.4170
1    H  3.211  31.740   9.684  0.4170
8    O  9.629  25.205  29.663 -0.8340
1    H  9.877  24.307  29.395  0.4170
1    H  8.700  24.972  30.069  0.4170
8    O 11.110  38.872  36.929 -0.8340
1    H 10.996  39.652  37.534  0.4170
1    H 11.070  38.175  37.626  0.4170
8    O 42.824  33.547  32.912 -0.8340
1    H 42.298  33.294  33.664  0.4170
1    H 42.381  34.153  32.369  0.4170
8    O 15.766  11.928  21.155 -0.8340
1    H 16.417  11.724  21.810  0.4170
1    H 15.742  11.025  20.716  0.4170
8    O 36.137  11.506   4.273 -0.8340
1    H 35.605  11.641   3.436  0.4170
1    H 35.527  10.898   4.745  0.4170
8    O 28.771   7.809   1.878 -0.8340
1    H 29.312   7.205   1.356  0.4170
1    H 27.907   7.443   1.825  0.4170
8    O  9.075   5.380   2.489 -0.8340
1    H  9.956   5.181   2.138  0.4170
1    H  9.030   6.316   2.161  0.4170
8    O 21.854   6.131  10.837 -0.8340
1    H 21.799   5.818  11.759  0.4170
1    H 20.870   6.071  10.625  0.4170
8    O  2.295  33.528  21.554 -0.8340
1    H  1.863  33.975  20.823  0.4170
1    H  1.758  32.776  21.727  0.4170
8    O 41.576  19.882  26.835 -0.8340
1    H 42.310  20.509  26.591  0.4170
1    H 40.892  20.473  27.165  0.4170
8    O 11.341  41.385  40.747 -0.8340
1    H 11.965  40.629  40.476  0.4170
1    H 11.607  42.009  40.059  0.4170
8    O 30.432  16.506  29.917 -0.8340
1    H 30.029  16.423  30.852  0.4170
1    H 30.349  15.592  29.687  0.4170
8    O 11.345  28.284  27.109 -0.8340
1    H 11.726  29.130  26.720  0.4170
1    H 11.955  28.215  27.880  0.4170
8    O 15.460  34.136  17.114 -0.8340
1    H 16.292  34.476  17.399  0.4170
1    H 15.003  34.068  17.997  0.4170
8    O 33.345  25.521  10.914 -0.8340
1    H 34.168  25.195  10.444  0.4170
1    H 32.700  25.231  10.190  0.4170
8    O 25.939  13.720  22.401 -0.8340
1    H 25.430  14.448  21.979  0.4170
1    H 25.336  13.484  23.113  0.4170
8    O  3.342  35.709  29.383 -0.8340
1    H  4.248  36.123  29.547  0.4170
1    H  3.361  34.924  29.975  0.4170
8    O 36.852  25.510  23.215 -0.8340
1    H 36.549  25.037  22.398  0.4170
1    H 37.819  25.430  23.115  0.4170
8    O 17.445  39.064  11.936 -0.8340
1    H 18.362  39.111  11.678  0.4170
1    H 17.409  38.394  12.608  0.4170
8    O 17.753  40.123  36.717 -0.8340
1    H 17.648  39.848  37.673  0.4170
1    H 17.341  41.030  36.830  0.4170
8    O 38.180   9.644   3.603 -0.8340
1    H 38.943   9.621   4.193  0.4170
1    H 37.732  10.407   4.034  0.4170
8    O 34.326  25.840  19.736 -0.8340
1    H 34.931  25.283  19.200  0.4170
1    H 34.916  26.358  20.253  0.4170
8    O 12.628  10.860  18.925 -0.8340
1    H 13.301  11.560  19.081  0.4170
1    H 11.803  11.356  19.210  0.4170
8    O  2.090  20.852   9.225 -0.8340
1    H  3.087  20.928   9.113  0.4170
1    H  2.040  19.857   9.035  0.4170
8    O 34.250  42.598  18.186 -0.8340
1    H 34.470  43.404  17.743  0.4170
1    H 33.752  42.117  17.539  0.4170
8    O 37.748  18.402  10.075 -0.8340
1    H 37.770  18.864  10.977  0.4170
1    H 37.812  19.178   9.498  0.4170
8    O  3.683  20.874   2.330 -0.8340
1    H  3.234  21.301   1.593  0.4170
1    H  3.038  20.181   2.606  0.4170
8    O 23.486  37.813  12.878 -0.8340
1    H 22.695  37.867  12.365  0.4170
1    H 23.596  36.885  12.969  0.4170
8    O 13.115  14.998   6.068 -0.8340
1    H 13.980  14.552   6.290  0.4170
1    H 13.516  15.928   5.949  0.4170
8    O 14.324   3.216  23.678 -0.8340
1    H 14.947   2.658  24.124  0.4170
1    H 14.714   3.320  22.825  0.4170
8    O 22.683  13.559  31.087 -0.8340
1    H 21.821  13.582  31.563  0.4170
1    H 22.635  14.392  30.557  0.4170
8    O 35.214  14.263  36.893 -0.8340
1    H 35.655  14.171  37.768  0.4170
1    H 35.991  14.265  36.348  0.4170
8    O  1.188  20.621  18.949 -0.8340
1    H  1.530  20.391  18.061  0.4170
1    H  0.804  19.757  19.192  0.4170
8    O 13.791  26.508  21.819 -0.8340
1    H 13.531  25.538  21.888  0.4170
1    H 13.938  26.640  22.817  0.4170
8    O 38.281   1.750  12.509 -0.8340
1    H 39.101   1.416  12.860  0.4170
1    H 37.615   1.543  13.185  0.4170
8    O  5.454  25.117  32.678 -0.8340
1    H  4.754  25.691  33.114  0.4170
1    H  6.243  25.387  33.193  0.4170
8    O  3.141  30.664   6.378 -0.8340
1    H  3.107  30.834   5.396  0.4170
1    H  2.817  31.494   6.716  0.4170
8    O 28.970  17.270  34.802 -0.8340
1    H 28.103  16.880  34.985  0.4170
1    H 28.725  18.174  35.244  0.4170
8    O 21.833   0.713  18.859 -0.8340
1    H 21.075   0.914  19.370  0.4170
1    H 22.552   0.968  19.388  0.4170
8    O 34.720  33.667   6.461 -0.8340
1    H 34.912  33.892   7.408  0.4170
1    H 35.245  32.855   6.411  0.4170
8    O 30.718  26.148  27.204 -0.8340
1    H 30.986  26.997  26.808  0.4170
1    H 31.223  26.203  28.075  0.4170
8    O 15.559   2.338  32.257 -0.8340
1    H 14.594   2.155  32.406  0.4170
1    H 15.655   1.907  31.390  0.4170
8    O 18.616   8.358   3.335 -0.8340
1    H 18.084   8.138   4.062  0.4170
1    H 19.268   7.656   3.257  0.4170
8    O 28.654   8.392  39.470 -0.8340
1    H 29.557   8.694  39.301  0.4170
1    H 28.456   7.870  38.643  0.4170
8    O 10.430  15.522  30.318 -0.8340
1    H 10.188  16.239  29.652  0.4170
1    H 11.359  15.390  30.085  0.4170
8    O 31.879  39.592  14.335 -0.8340
1    H 31.195  39.280  14.936  0.4170
1    H 32.393  38.777  14.136  0.4170
8    O 20.752  19.234   1.705 -0.8340
1    H 20.094  19.966   1.642  0.4170
1    H 21.160  19.273   0.782  0.4170
8    O  5.202  41.822  13.558 -0.8340
1    H  5.452  41.340  14.331  0.4170
1    H  5.569  41.357  12.814  0.4170
8    O  6.737   5.484  28.498 -0.8340
1    H  7.408   5.446  29.236  0.4170
1    H  7.155   6.198  27.969  0.4170
8    O 24.925  30.699  15.380 -0.8340
1    H 24.763  29.763  15.606  0.4170
1    H 25.847  30.646  15.100  0.4170
8    O 15.594  37.437  25.336 -0.8340
1    H 15.180  37.044  24.525  0.4170
1    H 16.571  37.196  25.150  0.4170
8    O 11.873   4.189   5.841 -0.8340
1    H 12.791   4.549   5.795  0.4170
1    H 11.843   3.662   5.005  0.4170
8    O  6.723  14.118  32.899 -0.8340
1    H  6.267  14.242  32.083  0.4170
1    H  7.674  13.949  32.643  0.4170
8    O  1.459  13.589  34.337 -0.8340
1    H  1.978  14.364  34.192  0.4170
1    H  0.758  13.956  34.926  0.4170
8    O 21.257   2.602  31.847 -0.8340
1    H 21.031   1.901  32.481  0.4170
1    H 21.636   3.316  32.370  0.4170
8    O 18.613  29.310  13.069 -0.8340
1    H 17.663  29.124  12.857  0.4170
1    H 18.680  28.655  13.831  0.4170
8    O 14.978  28.825  17.605 -0.8340
1    H 14.126  28.379  17.503  0.4170
1    H 15.432  28.182  18.172  0.4170
8    O 13.019  33.733  29.263 -0.8340
1    H 13.324  34.708  29.315  0.4170
1    H 12.916  33.544  30.197  0.4170
8    O 31.923  38.209  40.125 -0.8340
1    H 31.831  38.521  39.191  0.4170
1    H 31.076  38.501  40.493  0.4170
8    O 32.729  38.414  17.393 -0.8340
1    H 33.529  38.244  16.850  0.4170
1    H 33.192  38.594  18.244  0.4170
8    O 33.004   1.533  22.744 -0.8340
1    H 33.978   1.430  22.925  0.4170
1    H 33.020   1.498  21.725  0.4170
8    O 40.736  25.303   2.348 -0.8340
1    H 39.866  25.713   2.046  0.4170
1    H 41.331  26.048   2.103  0.4170
8    O 26.970  10.907  39.679 -0.8340
1    H 27.425  10.038  39.636  0.4170
1    H 27.356  11.386  38.943  0.4170
8    O 41.030  21.845  32.697 -0.8340
1    H 40.243  21.301  32.539  0.4170
1    H 41.422  21.867  31.773  0.4170
8    O  3.776  18.856  29.669 -0.8340
1    H  4.272  18.173  30.268  0.4170
1    H  3.436  19.452  30.379  0.4170
8    O 34.010   1.669  16.100 -0.8340
1    H 34.110   2.023  15.188  0.4170
1    H 33.825   2.486  16.598  0.4170
8    O 18.242  38.469  33.010 -0.8340
1    H 18.985  37.873  32.862  0.4170
1    H 17.676  38.224  32.256  0.4170
8    O 35.487  19.689  31.784 -0.8340
1    H 36.438  19.655  31.641  0.4170
1    H 35.207  20.351  31.068  0.4170
8    O 10.797   5.176  27.425 -0.8340
1    H 11.456   4.739  26.801  0.4170
1    H 10.498   4.382  27.905  0.4170
8    O 15.337  26.985  10.667 -0.8340
1    H 15.475  27.551  11.403  0.4170
1    H 14.442  26.625  10.765  0.4170
8    O  8.640  23.154  24.246 -0.8340
1    H  8.783  22.258  24.674  0.4170
1    H  7.888  22.894  23.686  0.4170
8    O 30.652   8.046  29.471 -0.8340
1    H 29.761   8.086  29.879  0.4170
1    H 30.452   7.492  28.700  0.4170
8    O 41.503  18.264  11.380 -0.8340
1    H 41.919  17.971  10.555  0.4170
1    H 40.920  17.513  11.534  0.4170
8    O 36.467  29.676  15.377 -0.8340
1    H 35.489  29.471  15.445  0.4170
1    H 36.336  30.626  15.057  0.4170
8    O  1.469  41.504  34.829 -0.8340
1    H  1.741  42.096  34.127  0.4170
1    H  1.660  42.056  35.602  0.4170
8    O 37.894  16.287  15.864 -0.8340
1    H 37.444  15.453  15.649  0.4170
1    H 37.201  16.768  16.373  0.4170
8    O 13.811  42.385  35.877 -0.8340
1    H 14.285  41.719  35.319  0.4170
1    H 14.259  43.227  35.589  0.4170
8    O 13.921  28.854  27.761 -0.8340
1    H 13.761  29.819  28.071  0.4170
1    H 14.730  28.953  27.273  0.4170
8    O 11.412  26.998  17.171 -0.8340
1    H 10.560  26.554  17.385  0.4170
1    H 11.624  27.359  18.026  0.4170
8    O 28.549  14.853   6.248 -0.8340
1    H 28.716  15.449   5.462  0.4170
1    H 27.816  15.367   6.597  0.4170
8    O 27.927  25.623   3.991 -0.8340
1    H 28.151  26.585   3.814  0.4170
1    H 28.178  25.570   4.961  0.4170
8    O 11.155  20.030  29.856 -0.8340
1    H 11.057  20.203  28.895  0.4170
1    H 10.465  20.685  30.164  0.4170
8    O  1.109  25.477  33.406 -0.8340
1    H  1.036  25.204  32.484  0.4170
1    H  0.410  24.942  33.823  0.4170
8    O  6.948  27.218  12.273 -0.8340
1    H  6.517  27.915  11.758  0.4170
1    H  7.842  27.586  12.301  0.4170
8    O 37.217  14.832  30.723 -0.8340
1    H 36.513  14.157  30.775  0.4170
1    H 37.901  14.350  30.206  0.4170
8    O 35.140  35.757  24.850 -0.8340
1    H 35.467  36.348  25.549  0.4170
1    H 36.042  35.567  24.386  0.4170
8    O 22.085  38.176   9.415 -0.8340
1    H 22.992  38.535   9.720  0.4170
1    H 22.137  38.165   8.469  0.4170
8    O 33.068   8.749  15.424 -0.8340
1    H 33.685   8.162  15.917  0.4170
1    H 32.541   9.055  16.190  0.4170
8    O 27.851  16.032  27.519 -0.8340
1    H 27.243  16.024  26.678  0.4170
1    H 27.209  16.172  28.197  0.4170
8    O 27.377   7.253  21.560 -0.8340
1    H 27.087   8.006  20.967  0.4170
1    H 27.529   7.749  22.341  0.4170
8    O 35.184   0.715   1.230 -0.8340
1    H 35.819  -0.051   1.164  0.4170
1    H 35.091   0.975   0.283  0.4170
8    O 21.914   4.169  33.910 -0.8340
1    H 21.699   3.513  34.566  0.4170
1    H 21.703   4.988  34.414  0.4170
8    O  5.257   6.472  22.340 -0.8340
1    H  5.131   7.323  22.798  0.4170
1    H  4.743   6.679  21.500  0.4170
8    O  4.713  22.414  17.691 -0.8340
1    H  4.432  21.976  16.904  0.4170
1    H  5.186  23.202  17.261  0.4170
8    O 33.024  34.016  25.679 -0.8340
1    H 33.673  33.519  26.235  0.4170
1    H 33.630  34.746  25.307  0.4170
8    O 12.283  22.875  24.861 -0.8340
1    H 12.932  22.922  25.594  0.4170
1    H 11.788  23.703  24.936  0.4170
8    O 33.131  21.637  35.580 -0.8340
1    H 32.165  21.664  35.699  0.4170
1    H 33.150  21.207  34.703  0.4170
8    O  3.227  13.007   5.664 -0.8340
1    H  3.320  12.562   6.544  0.4170
1    H  2.384  12.604   5.356  0.4170
8    O 42.260  17.299  26.083 -0.8340
1    H 43.063  17.626  25.696  0.4170
1    H 41.833  18.191  26.382  0.4170
8    O 22.506  19.225  35.355 -0.8340
1    H 22.928  20.042  35.629  0.4170
1    H 22.639  18.594  36.085  0.4170
8    O 21.018   4.235  21.016 -0.8340
1    H 20.868   5.036  20.552  0.4170
1    H 21.870   4.394  21.499  0.4170
8    O 15.553  13.146  40.924 -0.8340
1    H 16.394  12.729  41.149  0.4170
1    H 15.098  12.502  40.381  0.4170
8    O 31.933  14.688  13.140 -0.8340
1    H 32.319  13.812  12.845  0.4170
1    H 32.502  14.746  14.000  0.4170
8    O 22.243  26.450  10.786 -0.8340
1    H 21.961  26.545  11.706  0.4170
1    H 22.006  27.332  10.408  0.4170
8    O 29.848  23.572  13.641 -0.8340
1    H 29.978  24.554  13.875  0.4170
1    H 29.817  23.207  14.546  0.4170
8    O 41.771  33.516   1.262 -0.8340
1    H 42.499  34.150   1.206  0.4170
1    H 41.566  33.355   0.319  0.4170
8    O  4.820  15.385  28.817 -0.8340
1    H  4.461  15.393  29.739  0.4170
1    H  4.124  15.781  28.321  0.4170
8    O 29.013  41.376   8.855 -0.8340
1    H 28.125  41.686   8.927  0.4170
1    H 28.879  40.407   8.750  0.4170
8    O 21.755  33.958  15.471 -0.8340
1    H 22.292  33.545  14.695  0.4170
1    H 22.342  33.640  16.234  0.4170
8    O  7.914  25.912   8.251 -0.8340
1    H  8.141  25.134   8.819  0.4170
1    H  6.911  25.771   8.219  0.4170
8    O  5.804  15.989   4.254 -0.8340
1    H  5.564  15.047   4.360  0.4170
1    H  5.542  16.282   5.172  0.4170
8    O 29.261  36.425  39.448 -0.8340
1    H 30.169  36.191  39.163  0.4170
1    H 29.164  35.643  40.095  0.4170
8    O 38.141  12.295  21.408 -0.8340
1    H 38.382  12.124  22.352  0.4170
1    H 38.376  11.386  21.013  0.4170
8    O  4.440  32.136  42.396 -0.8340
1    H  4.609  31.210  42.044  0.4170
1    H  5.299  32.548  42.461  0.4170
8    O 39.800  13.107  40.067 -0.8340
1    H 39.287  12.279  40.003  0.4170
1    H 40.635  12.739  40.397  0.4170
8    O 26.544  15.556  25.047 -0.8340
1    H 25.713  15.063  24.717  0.4170
1    H 27.143  14.833  24.966  0.4170
8    O  1.103   6.746  26.479 -0.8340
1    H  1.937   6.372  26.165  0.4170
1    H  0.422   6.179  26.034  0.4170
8    O  9.480  24.853  18.060 -0.8340
1    H 10.279  24.511  18.617  0.4170
1    H  9.362  24.058  17.471  0.4170
8    O 39.617  19.956  39.924 -0.8340
1    H 38.774  19.618  39.591  0.4170
1    H 39.696  20.847  39.512  0.4170
8    O 12.198  24.381  39.481 -0.8340
1    H 11.517  23.746  39.195  0.4170
1    H 12.255  25.027  38.833  0.4170
8    O  5.022  30.705  21.186 -0.8340
1    H  4.726  31.216  20.389  0.4170
1    H  5.976  30.635  21.035  0.4170
8    O 27.669  42.174  21.651 -0.8340
1    H 28.582  41.996  21.510  0.4170
1    H 27.403  42.796  20.996  0.4170
8    O 14.908   8.637  26.665 -0.8340
1    H 15.293   7.963  27.239  0.4170
1    H 15.662   9.194  26.502  0.4170
8    O 23.839  10.196  11.517 -0.8340
1    H 24.585  10.396  10.898  0.4170
1    H 23.122  10.607  10.953  0.4170
8    O 37.475  20.355   8.079 -0.8340
1    H 38.090  20.699   7.416  0.4170
1    H 36.651  20.369   7.612  0.4170
8    O  1.412  36.205  17.519 -0.8340
1    H  2.370  36.078  17.567  0.4170
1    H  1.209  35.804  16.676  0.4170
8    O  0.973  31.149  21.929 -0.8340
1    H  1.345  30.353  21.449  0.4170
1    H  1.252  30.932  22.834  0.4170
8    O 18.031  25.567   5.875 -0.8340
1    H 17.267  25.546   6.486  0.4170
1    H 17.638  26.003   5.103  0.4170
8    O 30.456  14.646   0.969 -0.8340
1    H 30.542  14.701  -0.009  0.4170
1    H 30.834  15.501   1.225  0.4170
8    O 22.734  17.342  37.523 -0.8340
1    H 23.651  17.541  37.779  0.4170
1    H 22.618  16.509  37.967  0.4170
8    O 38.899  22.273   1.038 -0.8340
1    H 38.271  22.541   1.665  0.4170
1    H 38.301  21.699   0.434  0.4170
8    O 12.332  38.365  34.642 -0.8340
1    H 11.949  38.690  35.517  0.4170
1    H 12.273  37.393  34.795  0.4170
8    O 18.346  35.958  20.510 -0.8340
1    H 18.032  35.383  19.787  0.4170
1    H 17.527  36.429  20.694  0.4170
8    O 32.337   9.130  33.861 -0.8340
1    H 32.633   9.646  33.100  0.4170
1    H 31.587   8.638  33.500  0.4170
8    O  1.100  23.094  23.992 -0.8340
1    H  1.421  23.968  24.324  0.4170
1    H  1.614  23.017  23.180  0.4170
8    O 34.080  25.173  13.902 -0.8340
1    H 33.559  24.967  14.707  0.4170
1    H 33.391  25.343  13.275  0.4170
8    O 37.915  19.163  26.006 -0.8340
1    H 36.965  18.866  26.243  0.4170
1    H 38.305  18.294  26.006  0.4170
8    O 10.533  20.622  27.210 -0.8340
1    H  9.630  20.319  26.903  0.4170
1    H 11.007  20.341  26.440  0.4170
8    O  7.016  39.608  12.327 -0.8340
1    H  7.915  39.127  12.392  0.4170
1    H  7.359  40.443  11.997  0.4170
8    O 34.524  35.771  18.729 -0.8340
1    H 33.677  36.014  19.192  0.4170
1    H 34.257  34.969  18.288  0.4170
8    O 17.976  20.191  32.002 -0.8340
1    H 17.593  19.298  31.740  0.4170
1    H 18.774  19.841  32.538  0.4170
8    O 40.634   3.327   8.416 -0.8340
1    H 40.887   4.088   7.861  0.4170
1    H 41.432   3.106   8.928  0.4170
8    O 23.537  27.492  27.074 -0.8340
1    H 22.900  26.846  26.711  0.4170
1    H 24.373  26.985  27.110  0.4170
8    O  3.157  23.458  21.920 -0.8340
1    H  3.175  24.445  21.767  0.4170
1    H  2.731  23.178  21.067  0.4170
8    O 28.509   3.800   4.796 -0.8340
1    H 28.552   4.550   4.193  0.4170
1    H 29.451   3.761   5.035  0.4170
8    O  3.528  16.931  14.516 -0.8340
1    H  2.604  16.514  14.628  0.4170
1    H  3.514  17.520  15.261  0.4170
8    O 39.856   9.530   6.054 -0.8340
1    H 40.404   8.940   6.616  0.4170
1    H 38.994   9.415   6.523  0.4170
8    O  5.374  25.235   7.794 -0.8340
1    H  4.370  25.370   7.795  0.4170
1    H  5.392  24.307   7.601  0.4170
8    O 18.326   1.789  37.247 -0.8340
1    H 19.141   2.065  37.672  0.4170
1    H 17.982   2.665  36.929  0.4170
8    O 31.064  17.229   1.820 -0.8340
1    H 31.895  17.778   1.918  0.4170
1    H 30.589  17.880   1.265  0.4170
8    O 20.962   2.688  25.223 -0.8340
1    H 21.262   2.509  24.309  0.4170
1    H 21.321   1.906  25.660  0.4170
8    O  5.513   5.505  10.222 -0.8340
1    H  5.955   4.849  10.838  0.4170
1    H  5.685   5.089   9.394  0.4170
8    O  5.208  19.040  27.086 -0.8340
1    H  4.971  19.021  28.041  0.4170
1    H  6.032  18.410  27.172  0.4170
8    O 35.528   3.927  11.305 -0.8340
1    H 35.329   3.275  12.014  0.4170
1    H 34.605   4.161  11.055  0.4170
8    O 15.154  10.243  32.218 -0.8340
1    H 15.561   9.821  33.038  0.4170
1    H 15.651  11.072  32.210  0.4170
8    O 15.630  26.940   1.733 -0.8340
1    H 15.872  26.937   0.810  0.4170
1    H 14.739  27.368   1.697  0.4170
8    O 29.342  26.004  24.768 -0.8340
1    H 29.175  26.985  24.699  0.4170
1    H 29.963  25.995  25.566  0.4170
8    O 39.681  22.577  39.825 -0.8340
1    H 38.847  23.082  39.898  0.4170
1    H 40.038  22.677  40.760  0.4170
8    O 19.236  16.502  30.376 -0.8340
1    H 18.328  16.887  30.533  0.4170
1    H 19.753  17.361  30.352  0.4170
8    O 38.179  32.557  36.943 -0.8340
1    H 39.151  32.440  36.694  0.4170
1    H 37.869  31.671  36.767  0.4170
8    O 21.099  28.711  10.014 -0.8340
1    H 20.912  29.680  10.239  0.4170
1    H 20.560  28.625   9.219  0.4170
8    O 15.036  40.187  11.388 -0.8340
1    H 15.308  40.810  10.712  0.4170
1    H 15.792  39.583  11.482  0.4170
8    O 22.860  12.747  40.958 -0.8340
1    H 22.761  12.317  41.827  0.4170
1    H 23.830  12.743  40.921  0.4170
8    O  7.032   5.432  41.483 -0.8340
1    H  7.866   5.874  41.268  0.4170
1    H  7.301   4.974  42.324  0.4170
8    O 14.602  35.287  14.878 -0.8340
1    H 14.636  34.790  15.764  0.4170
1    H 15.313  34.807  14.395  0.4170
8    O 30.757   2.472  16.285 -0.8340
1    H 31.249   2.950  15.538  0.4170
1    H 30.548   1.662  15.781  0.4170
8    O 15.541   9.980  37.063 -0.8340
1    H 15.697   9.631  37.994  0.4170
1    H 14.687  10.518  37.266  0.4170
8    O 35.487  27.779  33.284 -0.8340
1    H 35.070  27.117  32.713  0.4170
1    H 35.472  27.313  34.159  0.4170
8    O 17.581  20.762   0.643 -0.8340
1    H 18.059  20.025   0.254  0.4170
1    H 16.638  20.542   0.301  0.4170
8    O 25.312  40.044  13.453 -0.8340
1    H 24.790  39.240  13.324  0.4170
1    H 25.150  40.303  14.319  0.4170
8    O 14.107   1.989   4.692 -0.8340
1    H 15.019   1.676   4.773  0.4170
1    H 14.197   2.791   5.293  0.4170
8    O 30.223  40.951  21.727 -0.8340
1    H 30.915  41.079  21.041  0.4170
1    H 30.642  41.526  22.478  0.4170
8    O 37.586  15.651  27.651 -0.8340
1    H 38.150  16.122  26.991  0.4170
1    H 36.828  16.248  27.630  0.4170
8    O 34.779  20.557  21.775 -0.8340
1    H 35.339  20.146  21.071  0.4170
1    H 34.436  19.710  22.179  0.4170
8    O 32.029  27.150  19.084 -0.8340
1    H 31.468  27.325  19.849  0.4170
1    H 32.838  26.865  19.519  0.4170
8    O  4.489  20.397  21.079 -0.8340
1    H  5.058  20.646  21.807  0.4170
1    H  3.762  21.036  21.093  0.4170
8    O  3.907   1.648  14.868 -0.8340
1    H  3.293   1.088  14.369  0.4170
1    H  4.528   1.020  15.180  0.4170
8    O 24.508  26.438   4.887 -0.8340
1    H 25.119  26.563   4.096  0.4170
1    H 23.835  25.889   4.439  0.4170
8    O 15.614  36.310   0.860 -0.8340
1    H 15.150  36.223   1.735  0.4170
1    H 15.545  37.302   0.790  0.4170
8    O 28.074  31.582  40.135 -0.8340
1    H 27.595  31.765  39.263  0.4170
1    H 27.627  30.840  40.402  0.4170
8    O 39.410   6.294  29.539 -0.8340
1    H 39.560   7.180  29.289  0.4170
1    H 39.568   5.738  28.750  0.4170
8    O 39.062  27.574   5.243 -0.8340
1    H 38.453  27.500   5.997  0.4170
1    H 39.765  26.905   5.575  0.4170
8    O 33.291  38.334   8.237 -0.8340
1    H 33.507  39.243   7.971  0.4170
1    H 33.689  37.827   7.470  0.4170
8    O 32.661  38.426  31.767 -0.8340
1    H 32.155  39.104  32.327  0.4170
1    H 33.441  38.323  32.390  0.4170
8    O 11.518  21.585   5.669 -0.8340
1    H 11.251  20.638   5.577  0.4170
1    H 12.414  21.397   6.087  0.4170
8    O 37.871  10.601  29.450 -0.8340
1    H 37.595  11.433  29.016  0.4170
1    H 38.050  10.968  30.342  0.4170
8    O 11.850   6.831  29.925 -0.8340
1    H 11.231   6.384  29.288  0.4170
1    H 12.531   6.127  29.948  0.4170
8    O  4.945  35.498  32.063 -0.8340
1    H  5.506  35.985  31.434  0.4170
1    H  4.337  36.247  32.294  0.4170
8    O 33.020  17.203  33.848 -0.8340
1    H 32.596  16.446  33.391  0.4170
1    H 32.784  16.937  34.768  0.4170
8    O 30.569  33.825  30.408 -0.8340
1    H 30.262  34.748  30.246  0.4170
1    H 29.656  33.449  30.653  0.4170
8    O 29.308  31.617  12.169 -0.8340
1    H 29.788  30.789  12.469  0.4170
1    H 29.116  31.387  11.239  0.4170
8    O 21.586  36.365  23.353 -0.8340
1    H 22.055  36.169  24.257  0.4170
1    H 21.912  35.539  22.940  0.4170
8    O 41.295  12.263  15.366 -0.8340
1    H 40.354  12.095  15.229  0.4170
1    H 41.289  12.525  16.327  0.4170
8    O 19.130   8.260  10.199 -0.8340
1    H 19.266   9.132   9.712  0.4170
1    H 19.222   8.546  11.136  0.4170
8    O 40.409  19.556   7.137 -0.8340
1    H 41.037  19.393   6.427  0.4170
1    H 40.096  20.453   6.859  0.4170
8    O 25.532  13.069  40.377 -0.8340
1    H 25.995  12.320  40.017  0.4170
1    H 25.929  13.096  41.244  0.4170
8    O  6.687  19.495   8.191 -0.8340
1    H  7.189  19.407   7.388  0.4170
1    H  7.069  18.815   8.710  0.4170
8    O  3.527  25.248  12.461 -0.8340
1    H  2.795  25.414  13.112  0.4170
1    H  3.026  24.748  11.774  0.4170
8    O  3.953  35.864  16.873 -0.8340
1    H  3.666  35.034  16.414  0.4170
1    H  4.469  36.299  16.148  0.4170
8    O  5.779  26.287  28.940 -0.8340
1    H  5.883  26.292  27.970  0.4170
1    H  5.207  27.089  29.010  0.4170
8    O 21.034   6.168   2.367 -0.8340
1    H 20.468   5.670   1.813  0.4170
1    H 21.644   5.483   2.721  0.4170
8    O  9.825  16.667  27.754 -0.8340
1    H  9.444  16.302  26.927  0.4170
1    H 10.517  17.216  27.355  0.4170
8    O 29.297  36.304  30.033 -0.8340
1    H 28.376  36.204  30.377  0.4170
1    H 29.153  36.260  29.045  0.4170
8    O 41.500  16.767  14.324 -0.8340
1    H 40.699  17.364  14.090  0.4170
1    H 41.972  17.421  14.925  0.4170
8    O 42.616   8.166  13.304 -0.8340
1    H 43.471   7.688  13.466  0.4170
1    H 42.095   7.882  14.034  0.4170
8    O 19.054  34.001  15.783 -0.8340
1    H 18.917  33.327  15.108  0.4170
1    H 20.066  33.971  15.797  0.4170
8    O 11.418  29.680  24.512 -0.8340
1    H 12.062  29.744  23.830  0.4170
1    H 11.137  28.796  24.568  0.4170
8    O 35.274  13.661  10.037 -0.8340
1    H 36.095  14.083   9.883  0.4170
1    H 35.064  13.214   9.143  0.4170
8    O  9.744  38.682  29.533 -0.8340
1    H  9.924  38.676  30.457  0.4170
1    H  9.344  37.840  29.321  0.4170
8    O  1.859  18.016  25.026 -0.8340
1    H  2.462  18.697  25.486  0.4170
1    H  1.632  18.596  24.229  0.4170
8    O 17.855  14.232  12.850 -0.8340
1    H 18.469  14.925  12.621  0.4170
1    H 17.067  14.524  12.329  0.4170
8    O 36.236  40.605  16.203 -0.8340
1    H 35.299  40.871  16.272  0.4170
1    H 36.054  39.630  16.075  0.4170
8    O  4.832  29.630  41.519 -0.8340
1    H  3.993  29.085  41.319  0.4170
1    H  5.366  28.905  41.945  0.4170
8    O 35.940  34.298  12.244 -0.8340
1    H 35.417  33.494  11.856  0.4170
1    H 35.304  35.003  11.991  0.4170
8    O 35.715  18.859  19.756 -0.8340
1    H 35.923  18.011  19.361  0.4170
1    H 36.027  19.472  19.062  0.4170
8    O 12.513   9.137  42.699 -0.8340
1    H 12.729   8.311  43.106  0.4170
1    H 11.548   9.121  42.619  0.4170
8    O 10.884  42.244  14.179 -0.8340
1    H 11.337  41.803  14.914  0.4170
1    H 11.411  41.870  13.442  0.4170
8    O 11.111   2.055  18.554 -0.8340
1    H 11.346   2.337  17.591  0.4170
1    H 10.149   1.917  18.413  0.4170
8    O 37.020  17.282  37.237 -0.8340
1    H 36.211  17.627  36.780  0.4170
1    H 37.112  16.462  36.658  0.4170
8    O 16.508  16.377  34.044 -0.8340
1    H 17.204  16.405  34.716  0.4170
1    H 15.705  16.550  34.594  0.4170
8    O 28.998  12.995  34.742 -0.8340
1    H 28.641  12.085  34.476  0.4170
1    H 28.583  13.522  33.930  0.4170
8    O 30.463   6.709  27.130 -0.8340
1    H 29.830   6.148  26.609  0.4170
1    H 30.205   7.601  26.722  0.4170
8    O 18.106  17.730  42.428 -0.8340
1    H 18.964  17.900  41.962  0.4170
1    H 17.704  17.063  41.795  0.4170
8    O 41.805  28.303  12.966 -0.8340
1    H 41.875  27.768  13.821  0.4170
1    H 41.004  28.815  13.178  0.4170
8    O 35.330  12.499   7.048 -0.8340
1    H 36.265  12.593   6.880  0.4170
1    H 35.220  11.568   6.959  0.4170
8    O 32.361   9.158   4.295 -0.8340
1    H 33.254   9.127   4.616  0.4170
1    H 32.545   9.133   3.311  0.4170
8    O 40.556  30.933   0.269 -0.8340
1    H 40.343  31.839  -0.016  0.4170
1    H 40.089  30.897   1.139  0.4170
8    O  9.441  28.459  12.123 -0.8340
1    H 10.363  28.816  12.230  0.4170
1    H  9.563  28.056  11.237  0.4170
8    O  9.461  38.508  12.369 -0.8340
1    H  9.185  37.569  12.675  0.4170
1    H 10.396  38.332  12.129  0.4170
8    O 24.037  16.476  13.784 -0.8340
1    H 24.704  16.493  13.070  0.4170
1    H 24.017  17.463  13.931  0.4170
8    O  8.169  30.103  25.187 -0.8340
1    H  8.836  30.726  24.913  0.4170
1    H  7.937  29.570  24.405  0.4170
8    O 31.456  35.445  16.224 -0.8340
1    H 31.127  36.393  16.020  0.4170
1    H 30.641  34.966  16.102  0.4170
8    O 39.335  41.220   1.537 -0.8340
1    H 39.069  41.486   2.429  0.4170
1    H 40.075  41.883   1.409  0.4170
8    O 35.197  27.446   5.392 -0.8340
1    H 35.942  27.208   5.973  0.4170
1    H 34.431  27.231   5.967  0.4170
8    O 39.198  17.043   0.597 -0.8340
1    H 39.686  17.823   0.263  0.4170
1    H 38.514  17.001  -0.135  0.4170
8    O 21.131  14.243  39.554 -0.8340
1    H 21.367  13.680  38.750  0.4170
1    H 21.811  13.941  40.167  0.4170
8    O 23.019   9.940  22.554 -0.8340
1    H 23.554   9.168  22.742  0.4170
1    H 23.410  10.180  21.702  0.4170
8    O 33.542  19.778  33.465 -0.8340
1    H 34.325  19.714  32.858  0.4170
1    H 33.314  18.799  33.536  0.4170
8    O 24.946  34.795  20.461 -0.8340
1    H 24.111  34.557  20.990  0.4170
1    H 24.788  35.763  20.353  0.4170
8    O  2.208  24.028  10.372 -0.8340
1    H  2.720  23.236  10.534  0.4170
1    H  2.457  24.249   9.434  0.4170
8    O 32.960   4.612   9.921 -0.8340
1    H 32.900   4.195   9.050  0.4170
1    H 32.154   4.303  10.372  0.4170
8    O 16.708   8.651  33.813 -0.8340
1    H 17.153   8.175  33.048  0.4170
1    H 17.178   8.296  34.587  0.4170
8    O 25.709   6.973  10.583 -0.8340
1    H 26.292   7.815  10.555  0.4170
1    H 25.712   6.826  11.538  0.4170
8    O 37.182  19.529  38.947 -0.8340
1    H 36.252  19.868  38.916  0.4170
1    H 37.119  18.864  38.260  0.4170
8    O 37.852  35.577  16.810 -0.8340
1    H 37.572  34.650  16.695  0.4170
1    H 38.057  35.801  15.912  0.4170
8    O  9.549  34.490  36.754 -0.8340
1    H  8.764  34.262  37.291  0.4170
1    H 10.210  34.731  37.427  0.4170
8    O 29.262  35.479  13.735 -0.8340
1    H 30.186  35.284  13.553  0.4170
1    H 29.047  34.903  14.530  0.4170
8    O 24.026   5.436   8.953 -0.8340
1    H 24.508   6.083   9.525  0.4170
1    H 23.134   5.596   9.247  0.4170
8    O 34.445  37.849  33.728 -0.8340
1    H 34.096  37.770  34.675  0.4170
1    H 35.427  37.828  33.964  0.4170
8    O 41.678  39.164  40.718 -0.8340
1    H 41.813  39.836  40.021  0.4170
1    H 40.911  39.531  41.210  0.4170
8    O  9.083   3.682  24.827 -0.8340
1    H  8.951   4.514  24.319  0.4170
1    H 10.034   3.583  24.717  0.4170
8    O  5.559  32.895   3.708 -0.8340
1    H  5.078  32.793   4.524  0.4170
1    H  4.998  33.543   3.208  0.4170
8    O  1.386  35.361  14.872 -0.8340
1    H  0.417  35.441  14.754  0.4170
1    H  1.566  34.535  14.396  0.4170
8    O 19.945  37.391  40.819 -0.8340
1    H 20.480  37.564  40.036  0.4170
1    H 20.528  37.850  41.486  0.4170
8    O 12.091  29.088  12.874 -0.8340
1    H 12.436  28.219  12.569  0.4170
1    H 12.619  29.742  12.342  0.4170
8    O 39.997  35.551  18.653 -0.8340
1    H 39.437  35.438  17.831  0.4170
1    H 39.500  35.017  19.339  0.4170
8    O 11.791   6.000  16.972 -0.8340
1    H 11.679   6.496  16.076  0.4170
1    H 11.897   6.868  17.489  0.4170
8    O 17.757  37.143  14.123 -0.8340
1    H 17.398  37.088  15.027  0.4170
1    H 17.337  36.446  13.636  0.4170
8    O 38.680   1.122  35.208 -0.8340
1    H 38.173   1.562  34.516  0.4170
1    H 39.386   0.731  34.735  0.4170
8    O 31.721  18.503  38.033 -0.8340
1    H 31.698  17.970  37.193  0.4170
1    H 30.994  18.024  38.526  0.4170
8    O 24.575   1.183  19.312 -0.8340
1    H 25.117   1.057  18.545  0.4170
1    H 24.662   0.301  19.751  0.4170
8    O 27.860   1.317  19.718 -0.8340
1    H 27.337   1.626  18.962  0.4170
1    H 28.771   1.590  19.456  0.4170
8    O  0.481  16.424  21.573 -0.8340
1    H  0.951  16.196  22.427  0.4170
1    H  0.951  15.706  21.025  0.4170
8    O 35.567   8.870  29.942 -0.8340
1    H 35.596   8.322  29.060  0.4170
1    H 36.117   9.610  29.654  0.4170
8    O 12.355  41.995  22.083 -0.8340
1    H 12.421  42.678  21.428  0.4170
1    H 12.283  42.528  22.876  0.4170
8    O 36.286  31.489  18.064 -0.8340
1    H 35.581  31.004  18.475  0.4170
1    H 36.879  31.726  18.815  0.4170
8    O 15.795  11.443   4.805 -0.8340
1    H 14.891  11.627   4.464  0.4170
1    H 15.447  10.864   5.593  0.4170
8    O 29.132   5.679  20.519 -0.8340
1    H 28.317   6.178  20.814  0.4170
1    H 29.824   6.227  20.910  0.4170
8    O  2.735  21.859  35.296 -0.8340
1    H  3.026  21.758  36.194  0.4170
1    H  1.759  21.998  35.438  0.4170
8    O 30.939  20.530  27.143 -0.8340
1    H 30.145  19.939  27.118  0.4170
1    H 30.484  21.381  27.292  0.4170
8    O 39.508  29.177   2.844 -0.8340
1    H 40.065  29.933   3.166  0.4170
1    H 39.314  28.702   3.670  0.4170
8    O 28.292   3.234  24.187 -0.8340
1    H 28.197   3.441  23.220  0.4170
1    H 28.496   2.313  24.106  0.4170
8    O  8.889  18.102  10.426 -0.8340
1    H  7.970  17.894  10.320  0.4170
1    H  9.223  17.851   9.541  0.4170
8    O 31.482  10.472  36.301 -0.8340
1    H 32.075  11.214  36.235  0.4170
1    H 31.720   9.975  35.505  0.4170
8    O 17.456   9.229  28.924 -0.8340
1    H 16.754   8.562  28.881  0.4170
1    H 17.259   9.745  28.149  0.4170
8    O 41.358  35.907  35.470 -0.8340
1    H 41.608  36.563  34.762  0.4170
1    H 40.377  36.065  35.499  0.4170
8    O  3.149  17.843  42.447 -0.8340
1    H  2.277  18.178  42.579  0.4170
1    H  3.300  17.388  43.307  0.4170
8    O 12.657  24.396  13.517 -0.8340
1    H 13.452  23.906  13.116  0.4170
1    H 12.094  23.598  13.697  0.4170
8    O  8.732  15.630  38.460 -0.8340
1    H  9.029  16.404  38.940  0.4170
1    H  7.763  15.690  38.420  0.4170
8    O  1.755   3.118  14.614 -0.8340
1    H  1.445   3.310  15.497  0.4170
1    H  2.679   2.831  14.743  0.4170
8    O 39.072   6.137  42.425 -0.8340
1    H 38.473   6.614  41.842  0.4170
1    H 38.764   5.229  42.266  0.4170
8    O 31.274  26.640  29.951 -0.8340
1    H 31.903  27.097  30.518  0.4170
1    H 30.490  27.144  30.089  0.4170
8    O 13.896  32.383   9.106 -0.8340
1    H 13.475  33.110   8.496  0.4170
1    H 14.544  32.041   8.470  0.4170
8    O 15.857  41.062  20.802 -0.8340
1    H 14.906  40.841  20.724  0.4170
1    H 16.103  41.190  19.874  0.4170
8    O 42.719  18.574  15.926 -0.8340
1    H 42.004  18.709  16.577  0.4170
1    H 43.428  19.154  16.342  0.4170
8    O 20.007   2.583  17.786 -0.8340
1    H 19.308   1.875  17.905  0.4170
1    H 20.797   2.029  17.932  0.4170
8    O  9.900   9.851  42.360 -0.8340
1    H  9.285   9.671  43.088  0.4170
1    H  9.745  10.820  42.265  0.4170
8    O 13.033  17.914   1.519 -0.8340
1    H 13.249  17.146   0.862  0.4170
1    H 12.339  17.431   2.021  0.4170
8    O  8.412  19.642  25.660 -0.8340
1    H  7.876  18.830  25.884  0.4170
1    H  8.439  19.585  24.661  0.4170
8    O 22.538  10.882   0.430 -0.8340
1    H 22.469  10.131   1.068  0.4170
1    H 23.360  10.733  -0.001  0.4170
8    O 29.728  30.335  17.283 -0.8340
1    H 30.604  30.419  16.854  0.4170
1    H 29.747  31.165  17.833  0.4170
8    O 39.034  15.277  38.580 -0.8340
1    H 39.020  14.335  38.860  0.4170
1    H 38.153  15.549  38.519  0.4170
8    O 30.763  31.269  23.642 -0.8340
1    H 31.579  31.498  23.114  0.4170
1    H 30.072  31.259  23.001  0.4170
8    O  9.660  17.696  40.027 -0.8340
1    H  9.875  18.472  39.412  0.4170
1    H 10.491  17.693  40.568  0.4170
8    O 27.933  23.165  23.013 -0.8340
1    H 28.671  23.751  22.804  0.4170
1    H 27.316  23.797  23.450  0.4170
8    O  3.022  11.744  33.338 -0.8340
1    H  2.622  12.600  33.570  0.4170
1    H  2.319  11.201  33.080  0.4170
8    O 15.320  24.122   2.882 -0.8340
1    H 15.539  25.007   2.608  0.4170
1    H 16.118  23.901   3.382  0.4170
8    O 16.012  36.937  21.205 -0.8340
1    H 16.229  37.758  21.684  0.4170
1    H 15.307  36.630  21.887  0.4170
8    O  6.093  41.875  17.337 -0.8340
1    H  6.392  41.268  18.026  0.4170
1    H  6.240  41.344  16.522  0.4170
8    O 26.089  20.734   5.399 -0.8340
1    H 25.442  20.012   5.257  0.4170
1    H 26.821  20.208   5.728  0.4170
8    O 42.525  16.517   1.923 -0.8340
1    H 42.941  15.614   1.943  0.4170
1    H 41.579  16.241   2.136  0.4170
8    O 32.651  18.348  29.679 -0.8340
1    H 31.954  17.699  29.761  0.4170
1    H 32.583  18.802  30.503  0.4170
8    O  9.426  12.404  41.837 -0.8340
1    H 10.080  13.087  41.563  0.4170
1    H  8.721  12.998  42.264  0.4170
8    O  5.354   9.956   1.183 -0.8340
1    H  4.730   9.507   0.533  0.4170
1    H  5.406  10.815   0.769  0.4170
8    O  4.360  28.926  29.531 -0.8340
1    H  3.555  29.314  29.184  0.4170
1    H  4.756  29.666  30.027  0.4170
8    O 29.233  16.399  32.290 -0.8340
1    H 29.317  16.779  33.138  0.4170
1    H 28.758  15.535  32.445  0.4170
8    O 13.831  42.978  15.812 -0.8340
1    H 13.500  42.077  16.115  0.4170
1    H 13.309  43.047  15.001  0.4170
8    O 17.721  11.480  36.526 -0.8340
1    H 16.943  10.836  36.535  0.4170
1    H 17.378  12.177  35.904  0.4170
8    O 35.952  26.169  17.094 -0.8340
1    H 35.003  25.962  16.994  0.4170
1    H 35.959  26.672  17.934  0.4170
8    O 12.167  27.838  19.772 -0.8340
1    H 12.880  27.430  20.338  0.4170
1    H 11.769  28.491  20.327  0.4170
8    O 23.001   2.439   5.634 -0.8340
1    H 23.307   2.824   6.488  0.4170
1    H 23.703   1.867   5.432  0.4170
8    O 28.513  39.072  23.137 -0.8340
1    H 27.611  38.986  22.732  0.4170
1    H 28.833  39.773  22.543  0.4170
8    O  3.705  16.521  39.997 -0.8340
1    H  2.840  15.976  39.864  0.4170
1    H  3.268  17.209  40.575  0.4170
8    O 41.427  19.238  37.900 -0.8340
1    H 40.823  19.603  38.575  0.4170
1    H 40.651  18.815  37.337  0.4170
8    O 22.036  12.638  12.444 -0.8340
1    H 21.928  13.619  12.331  0.4170
1    H 21.426  12.375  11.726  0.4170
8    O 36.048  17.249  29.665 -0.8340
1    H 36.342  16.342  29.867  0.4170
1    H 35.586  17.502  30.460  0.4170
8    O 39.351  37.949  24.381 -0.8340
1    H 38.815  38.697  24.014  0.4170
1    H 38.941  37.233  23.917  0.4170
8    O 42.851  31.695  30.681 -0.8340
1    H 42.581  31.847  31.561  0.4170
1    H 42.469  32.385  30.152  0.4170
8    O 17.670   3.871  18.811 -0.8340
1    H 17.254   4.024  17.953  0.4170
1    H 18.496   3.420  18.528  0.4170
8    O  2.220   4.208  41.719 -0.8340
1    H  2.394   4.389  40.783  0.4170
1    H  2.866   4.813  42.179  0.4170
8    O 24.873  34.500  28.673 -0.8340
1    H 24.016  34.636  28.201  0.4170
1    H 25.025  35.481  28.901  0.4170
8    O 14.008  37.770  27.720 -0.8340
1    H 14.334  37.665  26.820  0.4170
1    H 14.385  38.663  27.911  0.4170
8    O 15.251  10.279   7.031 -0.8340
1    H 14.543   9.608   7.134  0.4170
1    H 14.966  10.894   7.793  0.4170
8    O 30.965  24.393   9.409 -0.8340
1    H 30.599  23.576   9.807  0.4170
1    H 31.136  24.125   8.532  0.4170
8    O 29.794  17.730  21.354 -0.8340
1    H 29.261  16.936  21.322  0.4170
1    H 30.615  17.509  20.854  0.4170
8    O 41.362  20.818  22.241 -0.8340
1    H 40.864  20.471  23.065  0.4170
1    H 42.245  20.434  22.445  0.4170
8    O 35.359  41.564  38.671 -0.8340
1    H 36.028  41.161  39.238  0.4170
1    H 35.898  41.974  38.016  0.4170
8    O 20.141   8.130  -0.035 -0.8340
1    H 20.242   8.952  -0.554  0.4170
1    H 20.843   8.350   0.672  0.4170
8    O  8.449  33.613  33.963 -0.8340
1    H  7.776  33.093  34.474  0.4170
1    H  9.048  33.891  34.708  0.4170
8    O 22.476  19.108  32.571 -0.8340
1    H 22.668  19.005  33.586  0.4170
1    H 23.290  19.599  32.334  0.4170
8    O  0.864   2.174  42.728 -0.8340
1    H  1.447   2.013  43.452  0.4170
1    H  1.370   2.870  42.252  0.4170
8    O  6.164   6.084  17.375 -0.8340
1    H  6.346   6.782  18.083  0.4170
1    H  6.929   5.503  17.507  0.4170
8    O 20.600  20.730   5.068 -0.8340
1    H 19.921  20.830   4.356  0.4170
1    H 20.611  19.787   5.201  0.4170
8    O  5.766  30.340   7.943 -0.8340
1    H  5.161  30.704   8.621  0.4170
1    H  5.150  30.219   7.194  0.4170
8    O 30.060  39.384  35.794 -0.8340
1    H 29.458  38.597  35.806  0.4170
1    H 29.409  39.958  36.367  0.4170
8    O 40.385  18.666  20.561 -0.8340
1    H 40.693  19.481  21.010  0.4170
1    H 40.221  18.975  19.679  0.4170
8    O 32.535  41.476  20.025 -0.8340
1    H 33.381  41.816  19.791  0.4170
1    H 32.699  40.522  19.694  0.4170
8    O  9.715  13.585  27.207 -0.8340
1    H 10.284  12.870  26.812  0.4170
1    H 10.423  14.098  27.646  0.4170
8    O 31.175  27.400   5.508 -0.8340
1    H 32.021  27.250   5.934  0.4170
1    H 30.706  26.535   5.582  0.4170
8    O 12.986  23.304  22.137 -0.8340
1    H 13.785  22.745  21.967  0.4170
1    H 12.993  23.250  23.172  0.4170
8    O  0.385  31.524   2.559 -0.8340
1    H -0.180  32.162   2.048  0.4170
1    H  0.930  31.223   1.743  0.4170
8    O 27.744   5.961  17.941 -0.8340
1    H 28.601   5.960  17.451  0.4170
1    H 28.031   5.883  18.863  0.4170
8    O 38.034  25.381  38.450 -0.8340
1    H 38.436  26.168  38.872  0.4170
1    H 37.706  25.825  37.627  0.4170
8    O  4.157  11.826  41.525 -0.8340
1    H  4.881  12.272  41.057  0.4170
1    H  4.021  11.073  40.897  0.4170
8    O 41.605  33.405  22.112 -0.8340
1    H 42.143  32.629  21.869  0.4170
1    H 41.735  33.498  23.014  0.4170
8    O 35.219   3.480  32.407 -0.8340
1    H 35.043   2.743  31.771  0.4170
1    H 35.228   4.270  31.823  0.4170
8    O 42.236   6.159   2.096 -0.8340
1    H 41.272   5.974   2.312  0.4170
1    H 42.394   5.595   1.348  0.4170
8    O 24.339  23.705  25.058 -0.8340
1    H 25.041  24.295  24.847  0.4170
1    H 24.809  22.939  25.425  0.4170
8    O  7.361   9.771  23.828 -0.8340
1    H  6.884  10.423  24.389  0.4170
1    H  8.085   9.535  24.462  0.4170
8    O 18.347  20.976  21.103 -0.8340
1    H 19.005  21.374  21.715  0.4170
1    H 17.983  20.285  21.661  0.4170
8    O 22.840  12.788   3.197 -0.8340
1    H 22.028  12.850   2.642  0.4170
1    H 22.592  12.106   3.823  0.4170
8    O 18.232   5.065  29.813 -0.8340
1    H 17.733   5.847  30.171  0.4170
1    H 18.659   4.768  30.636  0.4170
8    O 16.840  32.169  11.618 -0.8340
1    H 16.328  31.326  11.489  0.4170
1    H 17.458  32.173  10.877  0.4170
8    O 23.370  30.245  26.551 -0.8340
1    H 24.076  30.670  27.154  0.4170
1    H 23.640  29.332  26.715  0.4170
8    O 27.583   9.118  10.119 -0.8340
1    H 28.440   9.517  10.320  0.4170
1    H 27.737   8.919   9.161  0.4170
8    O  9.661  24.333  13.724 -0.8340
1    H  8.890  23.959  13.241  0.4170
1    H  9.757  25.182  13.238  0.4170
8    O  1.283   8.192  16.491 -0.8340
1    H  1.338   7.282  16.131  0.4170
1    H  1.977   8.631  15.913  0.4170
8    O  5.575  32.993  32.992 -0.8340
1    H  4.670  32.611  32.967  0.4170
1    H  5.468  33.786  32.480  0.4170
8    O 10.709   8.668  20.623 -0.8340
1    H 10.466   7.784  21.071  0.4170
1    H  9.908   9.180  20.821  0.4170
8    O 17.974  16.311  36.639 -0.8340
1    H 18.314  17.252  36.677  0.4170
1    H 18.473  15.924  37.377  0.4170
8    O  7.680  13.171   2.223 -0.8340
1    H  7.051  13.312   2.978  0.4170
1    H  7.806  14.071   1.888  0.4170
8    O 31.814  36.705   9.665 -0.8340
1    H 32.279  37.325   9.096  0.4170
1    H 31.419  37.240  10.361  0.4170
8    O 33.243  32.907  14.702 -0.8340
1    H 32.611  32.230  15.097  0.4170
1    H 32.669  33.245  13.972  0.4170
8    O 37.537  23.825   7.382 -0.8340
1    H 37.669  23.194   8.163  0.4170
1    H 36.624  23.561   7.192  0.4170
8    O 21.203  26.832  13.399 -0.8340
1    H 20.260  26.914  13.523  0.4170
1    H 21.550  26.597  14.237  0.4170
8    O 22.126  11.244   9.451 -0.8340
1    H 21.585  10.553   8.998  0.4170
1    H 21.444  11.989   9.468  0.4170
8    O  9.829  10.898  18.947 -0.8340
1    H  9.795  10.609  17.991  0.4170
1    H 10.335  10.134  19.301  0.4170
8    O 23.253   4.388  22.574 -0.8340
1    H 24.113   4.175  22.111  0.4170
1    H 23.640   4.666  23.455  0.4170
8    O 32.037  11.916   9.290 -0.8340
1    H 32.208  12.156  10.252  0.4170
1    H 31.472  11.132   9.437  0.4170
8    O 27.808   8.339   7.300 -0.8340
1    H 27.818   7.370   7.336  0.4170
1    H 28.459   8.502   6.591  0.4170
8    O 29.482  21.141   8.475 -0.8340
1    H 29.909  20.293   8.818  0.4170
1    H 29.089  21.529   9.315  0.4170
8    O 30.463  23.369  26.489 -0.8340
1    H 31.379  23.433  26.173  0.4170
1    H 30.324  24.308  26.764  0.4170
8    O 26.856   6.241  29.236 -0.8340
1    H 25.985   6.681  29.057  0.4170
1    H 27.015   5.768  28.361  0.4170
8    O 24.562  41.297  16.318 -0.8340
1    H 25.328  41.814  16.214  0.4170
1    H 23.824  41.908  16.518  0.4170
8    O 22.750   3.568  36.941 -0.8340
1    H 23.088   2.616  37.193  0.4170
1    H 23.652   3.931  36.695  0.4170
8    O 19.302  34.533  22.420 -0.8340
1    H 18.937  35.172  21.739  0.4170
1    H 19.912  34.007  21.891  0.4170
8    O 35.053  10.500  10.823 -0.8340
1    H 34.642  10.168  11.606  0.4170
1    H 35.919  10.093  10.810  0.4170
8    O  0.562  37.593   9.458 -0.8340
1    H -0.340  37.440   9.076  0.4170
1    H  0.278  38.036  10.311  0.4170
8    O 24.135  41.892  36.154 -0.8340
1    H 23.787  41.123  35.599  0.4170
1    H 24.763  41.412  36.666  0.4170
8    O 15.820  17.788   1.811 -0.8340
1    H 14.994  17.942   1.386  0.4170
1    H 16.481  17.688   1.093  0.4170
8    O 34.972  23.682  36.594 -0.8340
1    H 35.735  23.108  36.900  0.4170
1    H 34.393  23.036  36.118  0.4170
8    O 36.158  37.454  26.671 -0.8340
1    H 35.233  37.531  27.109  0.4170
1    H 36.171  38.436  26.448  0.4170
8    O 20.436  12.681  37.528 -0.8340
1    H 20.329  11.832  37.073  0.4170
1    H 19.716  13.216  37.212  0.4170
8    O 42.203  15.407  18.101 -0.8340
1    H 42.342  16.223  18.566  0.4170
1    H 41.253  15.564  17.829  0.4170
8    O 36.248   4.927  26.243 -0.8340
1    H 35.789   4.143  25.937  0.4170
1    H 36.469   5.372  25.404  0.4170
8    O  4.733  34.079  27.647 -0.8340
1    H  3.993  34.485  28.090  0.4170
1    H  4.669  34.426  26.747  0.4170
8    O  1.188  15.729  39.432 -0.8340
1    H  0.372  16.138  39.836  0.4170
1    H  1.201  14.822  39.805  0.4170
8    O  5.411  37.125  14.442 -0.8340
1    H  6.143  36.501  14.358  0.4170
1    H  5.271  37.303  13.454  0.4170
8    O  3.019  10.524  17.516 -0.8340
1    H  2.947  10.178  16.579  0.4170
1    H  2.438   9.869  17.976  0.4170
8    O 33.067  27.977  12.322 -0.8340
1    H 33.072  27.092  11.856  0.4170
1    H 33.742  28.423  11.813  0.4170
8    O 29.368  18.313  28.081 -0.8340
1    H 29.655  17.948  28.965  0.4170
1    H 29.152  17.561  27.594  0.4170
8    O  5.013  16.651   6.909 -0.8340
1    H  5.572  17.399   7.149  0.4170
1    H  4.667  16.391   7.803  0.4170
8    O  5.652  36.758  29.488 -0.8340
1    H  5.972  37.562  29.082  0.4170
1    H  6.510  36.267  29.532  0.4170
8    O 33.629   4.638  16.718 -0.8340
1    H 33.952   5.590  16.704  0.4170
1    H 32.767   4.815  17.209  0.4170
8    O 16.121  18.654   4.412 -0.8340
1    H 15.272  19.166   4.298  0.4170
1    H 16.178  18.332   3.485  0.4170
8    O  0.343  31.535  41.520 -0.8340
1    H  0.299  32.209  40.837  0.4170
1    H -0.245  30.857  41.188  0.4170
8    O 34.121  36.130  11.507 -0.8340
1    H 33.410  36.092  10.860  0.4170
1    H 34.744  36.723  11.027  0.4170
8    O 20.004  22.225   7.697 -0.8340
1    H 19.809  21.531   7.017  0.4170
1    H 20.593  21.674   8.344  0.4170
8    O 15.795   6.820  28.778 -0.8340
1    H 15.357   7.315  29.505  0.4170
1    H 15.373   5.957  28.918  0.4170
8    O 10.152  39.048  32.796 -0.8340
1    H 10.746  39.378  33.537  0.4170
1    H 10.552  38.169  32.636  0.4170
8    O  4.177   4.628  16.090 -0.8340
1    H  4.792   4.037  15.611  0.4170
1    H  4.848   5.181  16.557  0.4170
8    O 42.681   3.337  10.285 -0.8340
1    H 42.527   3.653  11.188  0.4170
1    H 43.151   4.068   9.927  0.4170
8    O 34.174  36.417   6.408 -0.8340
1    H 33.927  35.530   6.447  0.4170
1    H 35.082  36.460   6.605  0.4170
8    O  9.444  20.016  38.209 -0.8340
1    H  8.754  20.690  38.241  0.4170
1    H  9.250  19.630  37.355  0.4170
8    O  5.205  24.392   0.458 -0.8340
1    H  5.544  24.666  -0.362  0.4170
1    H  4.456  25.013   0.595  0.4170
8    O 11.405  17.713  11.796 -0.8340
1    H 10.591  17.885  11.329  0.4170
1    H 11.948  17.252  11.152  0.4170
8    O 16.777   4.164  33.821 -0.8340
1    H 17.394   4.566  33.171  0.4170
1    H 16.202   3.598  33.225  0.4170
8    O 16.144   1.527  15.140 -0.8340
1    H 15.572   0.793  15.457  0.4170
1    H 15.885   1.472  14.207  0.4170
8    O  8.189  17.145   3.378 -0.8340
1    H  7.385  16.707   3.770  0.4170
1    H  8.398  16.494   2.748  0.4170
8    O 30.502  31.412  28.520 -0.8340
1    H 30.285  31.898  27.675  0.4170
1    H 30.582  32.139  29.142  0.4170
8    O 29.750  27.151  33.878 -0.8340
1    H 30.058  27.792  33.148  0.4170
1    H 30.164  27.617  34.645  0.4170
8    O  2.607  16.249  34.013 -0.8340
1    H  2.672  17.205  33.788  0.4170
1    H  2.757  16.304  34.994  0.4170
8    O 15.069   0.381  12.499 -0.8340
1    H 14.522   0.668  11.696  0.4170
1    H 15.280  -0.554  12.211  0.4170
8    O 10.005   3.944   7.717 -0.8340
1    H  9.707   3.124   7.224  0.4170
1    H 10.718   4.215   7.087  0.4170
8    O  8.431  30.127  19.555 -0.8340
1    H  8.652  30.324  18.632  0.4170
1    H  8.155  30.942  19.924  0.4170
8    O 16.868  21.508   7.465 -0.8340
1    H 16.255  21.850   6.821  0.4170
1    H 16.603  21.892   8.298  0.4170
8    O 20.081  10.492  41.452 -0.8340
1    H 19.490  10.818  40.741  0.4170
1    H 20.630  11.305  41.501  0.4170
8    O 40.943  15.931  36.788 -0.8340
1    H 40.335  16.673  36.497  0.4170
1    H 40.408  15.546  37.494  0.4170
8    O 25.063  23.798  28.272 -0.8340
1    H 24.993  22.878  27.876  0.4170
1    H 25.217  23.527  29.183  0.4170
8    O 33.654  37.956  27.794 -0.8340
1    H 33.223  37.400  28.454  0.4170
1    H 33.130  38.800  27.886  0.4170
8    O  0.968   8.056  41.641 -0.8340
1    H  0.358   7.254  41.889  0.4170
1    H  0.732   8.100  40.733  0.4170
8    O 11.109   4.594  20.746 -0.8340
1    H 12.007   4.821  20.453  0.4170
1    H 10.694   4.429  19.878  0.4170
8    O 23.743  15.617   9.581 -0.8340
1    H 23.437  16.143   8.805  0.4170
1    H 23.911  14.736   9.168  0.4170
8    O 21.313   6.411  19.534 -0.8340
1    H 21.328   5.891  18.665  0.4170
1    H 21.868   7.186  19.252  0.4170
8    O  6.175  -0.070  25.250 -0.8340
1    H  6.096   0.754  24.769  0.4170
1    H  5.447  -0.593  24.853  0.4170
8    O 13.554  37.436  32.090 -0.8340
1    H 12.683  37.106  32.329  0.4170
1    H 13.665  38.191  32.681  0.4170
8    O 32.309  19.684   3.905 -0.8340
1    H 32.772  19.723   4.769  0.4170
1    H 33.006  19.646   3.224  0.4170
8    O 29.841   9.021  26.272 -0.8340
1    H 30.208   9.706  26.837  0.4170
1    H 29.157   9.526  25.772  0.4170
8    O 12.426  25.799   2.703 -0.8340
1    H 11.569  26.364   2.759  0.4170
1    H 12.968  26.472   2.247  0.4170
8    O 12.177  32.929  23.870 -0.8340
1    H 12.443  32.270  24.508  0.4170
1    H 13.017  33.423  23.747  0.4170
8    O 17.373  18.846   6.740 -0.8340
1    H 17.121  19.648   7.152  0.4170
1    H 17.308  19.051   5.787  0.4170
8    O 35.318  16.385  39.997 -0.8340
1    H 35.050  17.111  39.365  0.4170
1    H 35.514  15.659  39.338  0.4170
8    O 25.035  37.151  29.496 -0.8340
1    H 24.204  37.669  29.493  0.4170
1    H 25.598  37.635  28.879  0.4170
8    O 36.902   5.282   9.496 -0.8340
1    H 37.862   5.076   9.602  0.4170
1    H 36.532   4.816  10.273  0.4170
8    O 38.997  37.838  19.946 -0.8340
1    H 39.609  37.117  19.969  0.4170
1    H 38.270  37.440  19.423  0.4170
8    O  2.296  41.857  30.647 -0.8340
1    H  2.875  41.546  31.382  0.4170
1    H  3.001  42.022  29.960  0.4170
8    O 24.849  37.569  20.304 -0.8340
1    H 24.145  38.189  20.635  0.4170
1    H 25.119  38.096  19.538  0.4170
8    O  5.229   7.770  15.633 -0.8340
1    H  5.524   7.191  16.360  0.4170
1    H  5.663   7.360  14.864  0.4170
8    O 12.675  33.916   7.401 -0.8340
1    H 12.596  34.666   6.819  0.4170
1    H 11.688  33.750   7.543  0.4170
8    O 12.443   9.280  27.666 -0.8340
1    H 12.235   8.469  28.119  0.4170
1    H 13.292   9.083  27.278  0.4170
8    O 24.011  38.010   4.791 -0.8340
1    H 24.400  38.882   5.071  0.4170
1    H 24.778  37.402   4.917  0.4170
8    O 40.680  13.519  28.904 -0.8340
1    H 40.866  13.695  29.848  0.4170
1    H 41.216  14.227  28.485  0.4170
8    O 33.457  18.589   1.499 -0.8340
1    H 33.771  18.879   0.582  0.4170
1    H 34.095  17.796   1.620  0.4170
8    O 12.392  16.242   9.528 -0.8340
1    H 11.665  15.534   9.529  0.4170
1    H 13.168  15.627   9.586  0.4170
8    O 12.994   5.974  35.740 -0.8340
1    H 12.203   6.174  35.189  0.4170
1    H 13.433   6.874  35.765  0.4170
8    O 32.833  31.121  35.683 -0.8340
1    H 32.197  31.358  34.953  0.4170
1    H 33.492  31.856  35.605  0.4170
8    O 32.315  30.244  31.984 -0.8340
1    H 32.067  31.178  31.830  0.4170
1    H 31.419  29.813  32.041  0.4170
8    O  0.457   0.738  29.529 -0.8340
1    H  1.021  -0.038  29.773  0.4170
1    H  1.078   1.419  29.892  0.4170
8    O 24.999   3.402   7.393 -0.8340
1    H 25.320   3.916   6.612  0.4170
1    H 24.510   4.198   7.878  0.4170
8    O 28.060  26.414  31.932 -0.8340
1    H 27.479  27.211  32.079  0.4170
1    H 28.640  26.426  32.698  0.4170
8    O 38.404  12.194   7.360 -0.8340
1    H 38.254  13.144   7.309  0.4170
1    H 39.320  12.098   7.054  0.4170
8    O 37.881   6.493  16.160 -0.8340
1    H 38.314   6.496  17.034  0.4170
1    H 38.231   5.601  15.847  0.4170
8    O 29.380  29.326  20.652 -0.8340
1    H 28.822  30.117  20.446  0.4170
1    H 28.777  28.724  21.119  0.4170
8    O  6.758  32.277  35.516 -0.8340
1    H  6.865  31.705  36.310  0.4170
1    H  5.815  32.119  35.314  0.4170
8    O 42.662  33.521  11.227 -0.8340
1    H 42.646  34.039  10.374  0.4170
1    H 41.782  33.116  11.202  0.4170
8    O 22.164  29.417  21.091 -0.8340
1    H 22.166  28.914  21.955  0.4170
1    H 21.477  28.777  20.683  0.4170
8    O 38.389  41.632  17.457 -0.8340
1    H 37.648  41.166  16.954  0.4170
1    H 38.302  41.130  18.324  0.4170
8    O 30.736  37.085  23.825 -0.8340
1    H 30.122  37.777  23.503  0.4170
1    H 31.443  37.687  24.209  0.4170
8    O  8.488  29.527  27.747 -0.8340
1    H  8.517  29.657  26.769  0.4170
1    H  8.106  28.622  27.796  0.4170
8    O 40.176  30.523  37.664 -0.8340
1    H 40.143  30.465  38.654  0.4170
1    H 39.304  30.155  37.407  0.4170
8    O 24.948   7.083  19.553 -0.8340
1    H 24.762   6.220  19.129  0.4170
1    H 25.688   6.822  20.098  0.4170
8    O  7.566   3.747   1.086 -0.8340
1    H  8.020   4.441   1.684  0.4170
1    H  8.378   3.285   0.746  0.4170
8    O 16.114  31.558  22.576 -0.8340
1    H 16.947  31.146  22.364  0.4170
1    H 15.547  31.338  21.811  0.4170
8    O 38.993   4.083  11.302 -0.8340
1    H 38.950   3.256  11.727  0.4170
1    H 39.406   3.905  10.460  0.4170
8    O 12.854  30.365  22.471 -0.8340
1    H 12.160  30.071  21.826  0.4170
1    H 13.524  30.644  21.751  0.4170
8    O 39.296   3.083   3.014 -0.8340
1    H 39.414   4.066   2.753  0.4170
1    H 39.559   3.177   3.947  0.4170
8    O  1.437  21.817  11.924 -0.8340
1    H  1.470  21.188  11.170  0.4170
1    H  0.853  21.171  12.518  0.4170
8    O 33.317  26.303   7.039 -0.8340
1    H 33.964  26.138   7.723  0.4170
1    H 33.286  25.482   6.530  0.4170
8    O 16.776  12.528  32.048 -0.8340
1    H 17.529  12.358  31.406  0.4170
1    H 16.169  13.105  31.535  0.4170
8    O 37.929  40.296  19.757 -0.8340
1    H 37.924  40.609  20.682  0.4170
1    H 38.249  39.396  19.824  0.4170
8    O 35.444  26.062  35.323 -0.8340
1    H 36.404  26.243  35.615  0.4170
1    H 35.450  25.113  35.232  0.4170
8    O 37.200  26.655   7.192 -0.8340
1    H 37.298  25.695   7.309  0.4170
1    H 37.367  26.907   8.157  0.4170
8    O 38.890  10.876  17.349 -0.8340
1    H 38.984  11.835  17.445  0.4170
1    H 39.528  10.635  18.101  0.4170
8    O  5.091  12.867  37.273 -0.8340
1    H  4.166  12.875  37.544  0.4170
1    H  5.034  12.763  36.311  0.4170
8    O  6.723   2.465   3.762 -0.8340
1    H  6.375   2.731   2.859  0.4170
1    H  5.898   2.091   4.141  0.4170
8    O 31.731   8.482  17.968 -0.8340
1    H 31.464   9.195  18.589  0.4170
1    H 32.392   8.018  18.561  0.4170
8    O 40.775  37.675   8.750 -0.8340
1    H 41.030  38.152   7.990  0.4170
1    H 40.014  38.145   9.114  0.4170
8    O  6.560  40.028  15.284 -0.8340
1    H  6.279  39.119  15.344  0.4170
1    H  7.513  39.920  15.487  0.4170
8    O 20.174   9.683  29.571 -0.8340
1    H 20.776   9.022  29.153  0.4170
1    H 19.289   9.321  29.389  0.4170
8    O  6.312  11.096  25.949 -0.8340
1    H  6.014  11.760  26.529  0.4170
1    H  6.050  10.286  26.541  0.4170
8    O  0.510  36.291  27.306 -0.8340
1    H -0.303  35.725  27.401  0.4170
1    H  0.216  36.837  26.564  0.4170
8    O 34.312  26.119  37.760 -0.8340
1    H 34.460  26.155  36.795  0.4170
1    H 34.675  25.163  37.876  0.4170
8    O 37.251  23.829  25.266 -0.8340
1    H 37.230  24.378  24.488  0.4170
1    H 36.659  24.294  25.832  0.4170
8    O  0.233  13.675   2.565 -0.8340
1    H -0.310  13.238   1.867  0.4170
1    H  0.955  12.948   2.642  0.4170
8    O 15.187  19.059  25.474 -0.8340
1    H 15.029  19.322  24.580  0.4170
1    H 14.544  19.536  25.992  0.4170
8    O 14.256  36.027  29.786 -0.8340
1    H 14.309  36.785  29.117  0.4170
1    H 13.855  36.539  30.543  0.4170
8    O 37.799  33.867  30.228 -0.8340
1    H 37.279  34.503  29.749  0.4170
1    H 37.631  34.086  31.126  0.4170
8    O 15.160  41.427  39.177 -0.8340
1    H 15.304  41.905  38.342  0.4170
1    H 15.883  40.826  39.261  0.4170
8    O 17.802   5.883  20.553 -0.8340
1    H 16.903   6.152  20.645  0.4170
1    H 17.764   5.266  19.781  0.4170
8    O 34.810  27.352  23.529 -0.8340
1    H 35.322  28.197  23.312  0.4170
1    H 35.622  26.768  23.555  0.4170
8    O 42.126  37.846  33.035 -0.8340
1    H 42.631  37.522  32.251  0.4170
1    H 42.828  38.368  33.447  0.4170
8    O 39.978  33.972  32.224 -0.8340
1    H 39.074  34.282  32.483  0.4170
1    H 40.025  33.166  32.800  0.4170
8    O  8.127  29.350  34.717 -0.8340
1    H  7.594  29.625  35.511  0.4170
1    H  7.863  30.081  34.145  0.4170
8    O 23.939   2.574  16.435 -0.8340
1    H 23.607   1.639  16.447  0.4170
1    H 23.556   2.770  15.556  0.4170
8    O 24.080   4.766  18.085 -0.8340
1    H 23.964   3.992  17.460  0.4170
1    H 23.150   5.090  18.024  0.4170
8    O 41.852  26.665  15.371 -0.8340
1    H 41.147  26.588  16.008  0.4170
1    H 42.602  26.896  15.933  0.4170
8    O 40.623  26.135  34.311 -0.8340
1    H 40.682  26.349  33.359  0.4170
1    H 41.077  25.230  34.243  0.4170
8    O  8.587  31.878  16.823 -0.8340
1    H  7.981  31.406  16.131  0.4170
1    H  9.373  31.957  16.251  0.4170
8    O 27.871  26.230  38.333 -0.8340
1    H 27.767  26.174  37.372  0.4170
1    H 28.051  27.188  38.423  0.4170
8    O  0.758  33.150  39.247 -0.8340
1    H  0.990  32.878  38.340  0.4170
1    H  0.785  34.149  39.055  0.4170
8    O 41.788  27.215  36.654 -0.8340
1    H 41.500  26.843  37.457  0.4170
1    H 41.428  26.733  35.950  0.4170
8    O 25.394  26.634  11.503 -0.8340
1    H 25.335  26.431  12.500  0.4170
1    H 24.522  26.292  11.247  0.4170
8    O 35.518  38.270  22.550 -0.8340
1    H 36.095  37.635  22.176  0.4170
1    H 34.739  37.776  22.859  0.4170
8    O 41.543  10.856  27.892 -0.8340
1    H 41.826  11.222  27.043  0.4170
1    H 41.051  11.605  28.243  0.4170
8    O  8.961   9.540  27.133 -0.8340
1    H  8.658  10.190  27.823  0.4170
1    H  9.808   9.973  26.823  0.4170
8    O 26.642  42.738   9.756 -0.8340
1    H 25.853  42.377  10.237  0.4170
1    H 27.102  43.112  10.566  0.4170
8    O  7.863   8.712  21.267 -0.8340
1    H  8.296   7.989  21.684  0.4170
1    H  7.636   9.280  22.091  0.4170
8    O  1.935   3.289  21.257 -0.8340
1    H  2.313   3.902  21.986  0.4170
1    H  1.234   2.863  21.793  0.4170
8    O 38.328  39.181   9.520 -0.8340
1    H 37.506  39.584   9.111  0.4170
1    H 38.707  40.024   9.843  0.4170
8    O 14.388   8.299  35.401 -0.8340
1    H 15.072   8.287  34.661  0.4170
1    H 14.856   8.984  36.013  0.4170
8    O 38.590  35.915  35.376 -0.8340
1    H 37.781  35.348  35.573  0.4170
1    H 38.150  36.648  34.816  0.4170
8    O 11.895  41.133  25.630 -0.8340
1    H 11.060  41.519  25.343  0.4170
1    H 11.740  40.131  25.437  0.4170
8    O  3.134  35.780  12.455 -0.8340
1    H  3.668  36.547  12.232  0.4170
1    H  3.110  35.735  13.371  0.4170
8    O 41.725   3.177  33.290 -0.8340
1    H 42.524   3.658  33.415  0.4170
1    H 41.188   3.729  32.722  0.4170
8    O 39.647   7.805  18.187 -0.8340
1    H 40.338   8.237  17.621  0.4170
1    H 40.204   7.175  18.712  0.4170
8    O  3.959   9.895   3.536 -0.8340
1    H  4.737  10.346   3.887  0.4170
1    H  4.259   9.724   2.667  0.4170
8    O 14.146  16.430  42.489 -0.8340
1    H 14.809  16.793  41.872  0.4170
1    H 14.751  15.661  42.800  0.4170
8    O  1.205   4.937  32.283 -0.8340
1    H  0.343   5.297  31.900  0.4170
1    H  1.782   5.698  32.053  0.4170
8    O 28.654  34.136  40.906 -0.8340
1    H 28.185  33.308  40.549  0.4170
1    H 28.447  34.035  41.811  0.4170
8    O 15.215  38.117   8.690 -0.8340
1    H 16.073  37.732   8.412  0.4170
1    H 15.355  39.053   8.364  0.4170
8    O  9.539   6.515  21.885 -0.8340
1    H 10.054   5.921  21.339  0.4170
1    H  8.782   5.935  22.091  0.4170
8    O 35.563  31.852  34.338 -0.8340
1    H 35.221  31.268  33.614  0.4170
1    H 36.293  31.232  34.631  0.4170
8    O  8.407  41.852  13.362 -0.8340
1    H  8.066  41.527  14.232  0.4170
1    H  9.309  42.157  13.644  0.4170
8    O 12.678  15.369  28.821 -0.8340
1    H 12.586  15.731  27.958  0.4170
1    H 13.243  14.590  28.742  0.4170
8    O  5.622  20.099  39.564 -0.8340
1    H  6.170  19.325  39.844  0.4170
1    H  5.116  20.177  40.440  0.4170
8    O 10.991  17.281   3.494 -0.8340
1    H 10.110  17.431   3.041  0.4170
1    H 10.887  16.350   3.728  0.4170
8    O 30.200  25.053  42.266 -0.8340
1    H 29.531  24.773  41.572  0.4170
1    H 29.708  24.710  43.060  0.4170
8    O 30.425  29.094  12.800 -0.8340
1    H 29.876  28.423  13.182  0.4170
1    H 31.223  28.716  12.553  0.4170
8    O  9.918  34.043  24.835 -0.8340
1    H 10.158  33.656  25.700  0.4170
1    H 10.477  33.488  24.280  0.4170
8    O 19.916  21.566  42.240 -0.8340
1    H 20.015  22.451  41.953  0.4170
1    H 19.015  21.536  42.559  0.4170
8    O 30.287  12.059   6.507 -0.8340
1    H 29.481  12.277   7.032  0.4170
1    H 30.953  12.662   6.983  0.4170
8    O 22.525   0.270  16.266 -0.8340
1    H 21.774  -0.130  15.855  0.4170
1    H 22.306   0.137  17.225  0.4170
8    O 31.693  12.966  25.596 -0.8340
1    H 32.678  12.897  25.631  0.4170
1    H 31.617  13.835  25.143  0.4170
8    O 36.398  27.960  39.901 -0.8340
1    H 37.418  28.092  39.942  0.4170
1    H 36.259  28.291  38.988  0.4170
8    O 15.563  41.967  18.027 -0.8340
1    H 15.143  42.400  17.325  0.4170
1    H 14.747  41.753  18.571  0.4170
8    O 34.352  37.517  41.242 -0.8340
1    H 33.672  37.936  40.723  0.4170
1    H 34.054  36.596  41.283  0.4170
8    O 38.078  29.170  17.870 -0.8340
1    H 37.351  29.279  17.176  0.4170
1    H 38.013  30.024  18.354  0.4170
8    O 30.278  38.655  11.197 -0.8340
1    H 29.599  39.040  10.593  0.4170
1    H 29.673  38.239  11.867  0.4170
8    O 40.683  25.530   6.436 -0.8340
1    H 40.932  24.585   6.519  0.4170
1    H 40.545  25.803   7.334  0.4170
8    O 14.981  21.952   5.557 -0.8340
1    H 14.386  21.506   4.851  0.4170
1    H 14.315  21.874   6.311  0.4170
8    O  5.980  43.008  21.610 -0.8340
1    H  5.799  42.105  21.305  0.4170
1    H  5.193  43.104  22.217  0.4170
8    O  6.060   1.560  18.186 -0.8340
1    H  5.136   1.575  18.458  0.4170
1    H  6.070   0.620  17.836  0.4170
8    O 42.206  15.098   7.618 -0.8340
1    H 42.028  15.105   6.641  0.4170
1    H 41.928  14.205   7.825  0.4170
8    O 19.045  10.566   8.610 -0.8340
1    H 19.570  11.347   8.810  0.4170
1    H 18.741  10.731   7.683  0.4170
8    O  1.802  30.291  38.820 -0.8340
1    H  1.694  31.296  38.698  0.4170
1    H  1.219  29.973  38.085  0.4170
8    O  4.621  21.273   8.856 -0.8340
1    H  4.874  22.138   8.393  0.4170
1    H  5.247  20.674   8.429  0.4170
8    O 25.168   8.955  15.424 -0.8340
1    H 25.281   7.991  15.586  0.4170
1    H 24.540   8.913  14.679  0.4170
8    O 35.216   3.857  28.892 -0.8340
1    H 35.374   4.192  27.991  0.4170
1    H 35.154   4.680  29.446  0.4170
8    O 35.862  30.187  22.736 -0.8340
1    H 36.784  30.503  22.655  0.4170
1    H 35.526  30.854  23.397  0.4170
8    O 25.358   1.432  23.323 -0.8340
1    H 26.261   1.264  23.604  0.4170
1    H 25.491   2.072  22.616  0.4170
8    O 34.908   5.560  36.566 -0.8340
1    H 34.459   5.107  37.289  0.4170
1    H 34.937   4.904  35.864  0.4170
8    O 33.767  35.014  41.785 -0.8340
1    H 34.180  34.773  42.617  0.4170
1    H 32.865  34.656  41.898  0.4170
8    O 27.843  14.121   1.797 -0.8340
1    H 27.850  13.755   2.744  0.4170
1    H 28.725  14.514   1.732  0.4170
8    O 41.000  38.504   2.113 -0.8340
1    H 40.437  39.204   1.663  0.4170
1    H 41.717  38.434   1.425  0.4170
8    O 41.649  35.374  30.542 -0.8340
1    H 41.228  34.825  29.872  0.4170
1    H 41.262  35.024  31.359  0.4170
8    O 30.057   2.409  18.905 -0.8340
1    H 30.477   2.145  18.033  0.4170
1    H 30.452   3.297  18.958  0.4170
8    O  5.205  37.717  18.648 -0.8340
1    H  4.949  36.931  18.088  0.4170
1    H  4.374  37.784  19.133  0.4170
8    O 40.946  18.747  41.831 -0.8340
1    H 41.108  17.976  41.263  0.4170
1    H 40.329  19.260  41.254  0.4170
8    O 38.203  29.311  11.422 -0.8340
1    H 38.394  29.635  12.358  0.4170
1    H 39.044  29.652  11.024  0.4170
8    O 34.566   6.118   8.203 -0.8340
1    H 34.001   5.763   8.910  0.4170
1    H 35.420   5.777   8.542  0.4170
8    O  0.610  10.963  13.803 -0.8340
1    H -0.231  11.017  14.247  0.4170
1    H  0.785  10.070  13.563  0.4170
#END
