COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -13.120  -0.658   1.194  1.00  0.00           C  
HETATM    2  C   UNL     1      15.039   0.539   0.709  1.00  0.00           C  
HETATM    3  O   UNL     1      14.362   1.750   0.411  1.00  0.00           O  
HETATM    4  C   UNL     1      15.270   2.507  -0.422  1.00  0.00           C  
HETATM    5  O   UNL     1      16.434   1.686  -0.697  1.00  0.00           O  
HETATM    6  C   UNL     1      15.929   0.360  -0.556  1.00  0.00           C  
HETATM    7  C   UNL     1      16.925  -0.732  -0.213  1.00  0.00           C  
HETATM    8  C   UNL     1      17.713  -0.345   1.040  1.00  0.00           C  
HETATM    9  C   UNL     1      18.358   1.028   0.832  1.00  0.00           C  
HETATM   10  O   UNL     1      18.732  -1.317   1.281  1.00  0.00           O  
HETATM   11  O   UNL     1      17.820  -0.937  -1.308  1.00  0.00           O  
HETATM   12  C   UNL     1      16.115  -2.014   0.053  1.00  0.00           C  
HETATM   13  C   UNL     1      17.068  -3.119   0.512  1.00  0.00           C  
HETATM   14  O   UNL     1      15.121  -1.812   1.053  1.00  0.00           O  
HETATM   15  C   UNL     1      14.229  -0.727   0.860  1.00  0.00           C  
HETATM   16  O   UNL     1      13.350  -0.632   2.005  1.00  0.00           O  
HETATM   17  O   UNL     1      13.438  -0.971  -0.321  1.00  0.00           O  
HETATM   18  C   UNL     1      12.086  -0.902   0.113  1.00  0.00           C  
HETATM   19  C   UNL     1      11.073  -1.810  -0.555  1.00  0.00           C  
HETATM   20  O   UNL     1      11.496  -3.194  -0.442  1.00  0.00           O  
HETATM   21  C   UNL     1      11.125  -4.028  -1.426  1.00  0.00           C  
HETATM   22  O   UNL     1      10.467  -3.615  -2.352  1.00  0.00           O  
HETATM   23  C   UNL     1      11.527  -5.479  -1.376  1.00  0.00           C  
HETATM   24  C   UNL     1      10.957  -6.123  -0.111  1.00  0.00           C  
HETATM   25  C   UNL     1      10.980  -6.203  -2.608  1.00  0.00           C  
HETATM   26  C   UNL     1      12.203  -1.376   1.591  1.00  0.00           C  
HETATM   27  C   UNL     1      10.880  -1.045   2.255  1.00  0.00           C  
HETATM   28  O   UNL     1       9.869  -1.814   1.582  1.00  0.00           O  
HETATM   29  C   UNL     1       9.736  -1.607   0.180  1.00  0.00           C  
HETATM   30  O   UNL     1       9.273  -0.275  -0.053  1.00  0.00           O  
HETATM   31  C   UNL     1       7.979  -0.006   0.491  1.00  0.00           C  
HETATM   32  C   UNL     1       7.640   1.473   0.292  1.00  0.00           C  
HETATM   33  C   UNL     1       6.227   1.741   0.822  1.00  0.00           C  
HETATM   34  O   UNL     1       5.874   3.103   0.575  1.00  0.00           O  
HETATM   35  O   UNL     1       7.696   1.794  -1.099  1.00  0.00           O  
HETATM   36  C   UNL     1       8.982   2.230  -1.544  1.00  0.00           C  
HETATM   37  O   UNL     1       7.005  -0.811  -0.178  1.00  0.00           O  
HETATM   38  C   UNL     1       5.673  -0.638   0.309  1.00  0.00           C  
HETATM   39  C   UNL     1       4.726  -1.565  -0.457  1.00  0.00           C  
HETATM   40  O   UNL     1       5.058  -2.925  -0.173  1.00  0.00           O  
HETATM   41  C   UNL     1       4.229  -3.878  -0.841  1.00  0.00           C  
HETATM   42  C   UNL     1       5.240   0.816   0.103  1.00  0.00           C  
HETATM   43  O   UNL     1       3.930   1.006   0.641  1.00  0.00           O  
HETATM   44  C   UNL     1       3.169   2.015  -0.025  1.00  0.00           C  
HETATM   45  C   UNL     1       1.750   2.046   0.548  1.00  0.00           C  
HETATM   46  O   UNL     1       1.107   0.793   0.300  1.00  0.00           O  
HETATM   47  O   UNL     1       3.788   3.287   0.172  1.00  0.00           O  
HETATM   48  C   UNL     1       3.118   4.370  -0.477  1.00  0.00           C  
HETATM   49  C   UNL     1       3.882   5.670  -0.221  1.00  0.00           C  
HETATM   50  C   UNL     1       1.697   4.495   0.078  1.00  0.00           C  
HETATM   51  O   UNL     1       1.754   4.798   1.473  1.00  0.00           O  
HETATM   52  C   UNL     1       0.676   5.613   1.936  1.00  0.00           C  
HETATM   53  C   UNL     1       0.958   3.169  -0.128  1.00  0.00           C  
HETATM   54  O   UNL     1      -0.345   3.253   0.452  1.00  0.00           O  
HETATM   55  C   UNL     1      -1.326   2.446  -0.202  1.00  0.00           C  
HETATM   56  C   UNL     1      -2.645   2.523   0.585  1.00  0.00           C  
HETATM   57  O   UNL     1      -1.483   2.902  -1.542  1.00  0.00           O  
HETATM   58  C   UNL     1      -2.515   2.271  -2.320  1.00  0.00           C  
HETATM   59  C   UNL     1      -2.593   2.916  -3.705  1.00  0.00           C  
HETATM   60  C   UNL     1      -3.818   2.483  -1.576  1.00  0.00           C  
HETATM   61  O   UNL     1      -4.998   1.895  -2.104  1.00  0.00           O  
HETATM   62  C   UNL     1      -3.682   1.751  -0.209  1.00  0.00           C  
HETATM   63  C   UNL     1      -3.254   0.296  -0.414  1.00  0.00           C  
HETATM   64  O   UNL     1      -5.035   1.816   0.246  1.00  0.00           O  
HETATM   65  C   UNL     1      -5.798   1.543  -0.954  1.00  0.00           C  
HETATM   66  C   UNL     1      -7.072   2.386  -0.945  1.00  0.00           C  
HETATM   67  C   UNL     1      -7.949   1.962   0.237  1.00  0.00           C  
HETATM   68  O   UNL     1      -9.181   2.685   0.202  1.00  0.00           O  
HETATM   69  O   UNL     1      -6.122   0.156  -1.004  1.00  0.00           O  
HETATM   70  C   UNL     1      -6.906  -0.302   0.100  1.00  0.00           C  
HETATM   71  C   UNL     1      -7.181  -1.799  -0.056  1.00  0.00           C  
HETATM   72  C   UNL     1      -8.233   0.460   0.132  1.00  0.00           C  
HETATM   73  O   UNL     1      -8.998   0.039   1.264  1.00  0.00           O  
HETATM   74  C   UNL     1     -10.248  -0.567   0.928  1.00  0.00           C  
HETATM   75  C   UNL     1     -10.887  -1.154   2.189  1.00  0.00           C  
HETATM   76  C   UNL     1     -12.252  -1.748   1.832  1.00  0.00           C  
HETATM   77  O   UNL     1     -12.888  -2.233   3.016  1.00  0.00           O  
HETATM   78  O   UNL     1     -11.120   0.418   0.368  1.00  0.00           O  
HETATM   79  C   UNL     1     -12.395  -0.090  -0.029  1.00  0.00           C  
HETATM   80  C   UNL     1     -13.228   1.041  -0.635  1.00  0.00           C  
HETATM   81  O   UNL     1     -14.391  -1.228   0.784  1.00  0.00           O  
HETATM   82  C   UNL     1     -15.460  -0.406   0.789  1.00  0.00           C  
HETATM   83  O   UNL     1     -15.332   0.755   1.127  1.00  0.00           O  
HETATM   84  C   UNL     1     -16.780  -0.914   0.385  1.00  0.00           C  
HETATM   85  C   UNL     1     -17.645  -1.460   1.340  1.00  0.00           C  
HETATM   86  C   UNL     1     -17.225  -1.528   2.786  1.00  0.00           C  
HETATM   87  C   UNL     1     -18.879  -1.934   0.959  1.00  0.00           C  
HETATM   88 CL   UNL     1     -19.951  -2.610   2.145  1.00  0.00          Cl  
HETATM   89  C   UNL     1     -19.272  -1.872  -0.376  1.00  0.00           C  
HETATM   90  O   UNL     1     -20.492  -2.341  -0.744  1.00  0.00           O  
HETATM   91  C   UNL     1     -18.423  -1.333  -1.331  1.00  0.00           C  
HETATM   92 CL   UNL     1     -18.920  -1.260  -2.993  1.00  0.00          Cl  
HETATM   93  C   UNL     1     -17.180  -0.848  -0.959  1.00  0.00           C  
HETATM   94  O   UNL     1     -16.349  -0.316  -1.890  1.00  0.00           O  
HETATM   95  C   UNL     1     -15.447  -1.211  -2.543  1.00  0.00           C  
HETATM   96  H   UNL     1     -13.294   0.139   1.917  1.00  0.00           H  
HETATM   97  H   UNL     1      15.671   0.677   1.586  1.00  0.00           H  
HETATM   98  H   UNL     1      14.777   2.772  -1.357  1.00  0.00           H  
HETATM   99  H   UNL     1      15.576   3.415   0.099  1.00  0.00           H  
HETATM  100  H   UNL     1      15.326   0.086  -1.422  1.00  0.00           H  
HETATM  101  H   UNL     1      17.039  -0.304   1.895  1.00  0.00           H  
HETATM  102  H   UNL     1      17.591   1.801   0.884  1.00  0.00           H  
HETATM  103  H   UNL     1      19.102   1.201   1.610  1.00  0.00           H  
HETATM  104  H   UNL     1      18.839   1.059  -0.145  1.00  0.00           H  
HETATM  105  H   UNL     1      19.273  -1.135   2.062  1.00  0.00           H  
HETATM  106  H   UNL     1      18.482  -1.624  -1.151  1.00  0.00           H  
HETATM  107  H   UNL     1      15.631  -2.326  -0.873  1.00  0.00           H  
HETATM  108  H   UNL     1      17.459  -2.874   1.500  1.00  0.00           H  
HETATM  109  H   UNL     1      16.530  -4.066   0.559  1.00  0.00           H  
HETATM  110  H   UNL     1      17.894  -3.204  -0.194  1.00  0.00           H  
HETATM  111  H   UNL     1      11.738   0.130   0.076  1.00  0.00           H  
HETATM  112  H   UNL     1      10.966  -1.539  -1.606  1.00  0.00           H  
HETATM  113  H   UNL     1      12.615  -5.554  -1.363  1.00  0.00           H  
HETATM  114  H   UNL     1      11.248  -7.173  -0.074  1.00  0.00           H  
HETATM  115  H   UNL     1      11.347  -5.608   0.767  1.00  0.00           H  
HETATM  116  H   UNL     1       9.870  -6.048  -0.123  1.00  0.00           H  
HETATM  117  H   UNL     1      11.386  -5.744  -3.509  1.00  0.00           H  
HETATM  118  H   UNL     1      11.271  -7.253  -2.572  1.00  0.00           H  
HETATM  119  H   UNL     1       9.892  -6.128  -2.620  1.00  0.00           H  
HETATM  120  H   UNL     1      12.406  -2.446   1.635  1.00  0.00           H  
HETATM  121  H   UNL     1      10.915  -1.318   3.310  1.00  0.00           H  
HETATM  122  H   UNL     1      10.668   0.019   2.152  1.00  0.00           H  
HETATM  123  H   UNL     1       9.003  -2.310  -0.215  1.00  0.00           H  
HETATM  124  H   UNL     1       7.976  -0.240   1.555  1.00  0.00           H  
HETATM  125  H   UNL     1       8.356   2.088   0.837  1.00  0.00           H  
HETATM  126  H   UNL     1       6.197   1.545   1.894  1.00  0.00           H  
HETATM  127  H   UNL     1       6.462   3.745   0.995  1.00  0.00           H  
HETATM  128  H   UNL     1       8.941   2.454  -2.610  1.00  0.00           H  
HETATM  129  H   UNL     1       9.271   3.127  -0.995  1.00  0.00           H  
HETATM  130  H   UNL     1       9.715   1.443  -1.365  1.00  0.00           H  
HETATM  131  H   UNL     1       5.639  -0.881   1.371  1.00  0.00           H  
HETATM  132  H   UNL     1       3.699  -1.370  -0.148  1.00  0.00           H  
HETATM  133  H   UNL     1       4.825  -1.382  -1.527  1.00  0.00           H  
HETATM  134  H   UNL     1       3.192  -3.731  -0.541  1.00  0.00           H  
HETATM  135  H   UNL     1       4.318  -3.743  -1.919  1.00  0.00           H  
HETATM  136  H   UNL     1       4.546  -4.886  -0.574  1.00  0.00           H  
HETATM  137  H   UNL     1       5.235   1.047  -0.962  1.00  0.00           H  
HETATM  138  H   UNL     1       3.125   1.793  -1.092  1.00  0.00           H  
HETATM  139  H   UNL     1       1.794   2.226   1.622  1.00  0.00           H  
HETATM  140  H   UNL     1       1.558   0.035   0.696  1.00  0.00           H  
HETATM  141  H   UNL     1       3.074   4.179  -1.549  1.00  0.00           H  
HETATM  142  H   UNL     1       3.859   5.902   0.844  1.00  0.00           H  
HETATM  143  H   UNL     1       4.917   5.554  -0.545  1.00  0.00           H  
HETATM  144  H   UNL     1       3.416   6.482  -0.780  1.00  0.00           H  
HETATM  145  H   UNL     1       1.170   5.292  -0.447  1.00  0.00           H  
HETATM  146  H   UNL     1       0.847   5.885   2.978  1.00  0.00           H  
HETATM  147  H   UNL     1       0.618   6.517   1.329  1.00  0.00           H  
HETATM  148  H   UNL     1      -0.259   5.059   1.854  1.00  0.00           H  
HETATM  149  H   UNL     1       0.869   2.963  -1.195  1.00  0.00           H  
HETATM  150  H   UNL     1      -0.982   1.412  -0.218  1.00  0.00           H  
HETATM  151  H   UNL     1      -2.518   2.071   1.569  1.00  0.00           H  
HETATM  152  H   UNL     1      -2.955   3.563   0.691  1.00  0.00           H  
HETATM  153  H   UNL     1      -2.310   1.205  -2.416  1.00  0.00           H  
HETATM  154  H   UNL     1      -2.776   3.985  -3.598  1.00  0.00           H  
HETATM  155  H   UNL     1      -1.653   2.759  -4.233  1.00  0.00           H  
HETATM  156  H   UNL     1      -3.408   2.463  -4.271  1.00  0.00           H  
HETATM  157  H   UNL     1      -3.978   3.548  -1.410  1.00  0.00           H  
HETATM  158  H   UNL     1      -2.292   0.269  -0.924  1.00  0.00           H  
HETATM  159  H   UNL     1      -3.166  -0.196   0.554  1.00  0.00           H  
HETATM  160  H   UNL     1      -4.000  -0.221  -1.018  1.00  0.00           H  
HETATM  161  H   UNL     1      -6.810   3.440  -0.844  1.00  0.00           H  
HETATM  162  H   UNL     1      -7.616   2.233  -1.877  1.00  0.00           H  
HETATM  163  H   UNL     1      -7.429   2.170   1.171  1.00  0.00           H  
HETATM  164  H   UNL     1      -9.076   3.645   0.256  1.00  0.00           H  
HETATM  165  H   UNL     1      -6.364  -0.127   1.029  1.00  0.00           H  
HETATM  166  H   UNL     1      -6.237  -2.333  -0.167  1.00  0.00           H  
HETATM  167  H   UNL     1      -7.705  -2.167   0.826  1.00  0.00           H  
HETATM  168  H   UNL     1      -7.798  -1.965  -0.940  1.00  0.00           H  
HETATM  169  H   UNL     1      -8.792   0.258  -0.781  1.00  0.00           H  
HETATM  170  H   UNL     1     -10.083  -1.361   0.200  1.00  0.00           H  
HETATM  171  H   UNL     1     -10.243  -1.936   2.592  1.00  0.00           H  
HETATM  172  H   UNL     1     -11.014  -0.368   2.933  1.00  0.00           H  
HETATM  173  H   UNL     1     -12.120  -2.568   1.125  1.00  0.00           H  
HETATM  174  H   UNL     1     -12.389  -2.922   3.476  1.00  0.00           H  
HETATM  175  H   UNL     1     -12.258  -0.878  -0.769  1.00  0.00           H  
HETATM  176  H   UNL     1     -13.365   1.829   0.105  1.00  0.00           H  
HETATM  177  H   UNL     1     -12.712   1.445  -1.506  1.00  0.00           H  
HETATM  178  H   UNL     1     -14.201   0.654  -0.937  1.00  0.00           H  
HETATM  179  H   UNL     1     -16.717  -2.474   2.972  1.00  0.00           H  
HETATM  180  H   UNL     1     -16.549  -0.703   3.007  1.00  0.00           H  
HETATM  181  H   UNL     1     -18.106  -1.457   3.424  1.00  0.00           H  
HETATM  182  H   UNL     1     -21.195  -1.678  -0.711  1.00  0.00           H  
HETATM  183  H   UNL     1     -14.842  -0.658  -3.261  1.00  0.00           H  
HETATM  184  H   UNL     1     -14.796  -1.675  -1.801  1.00  0.00           H  
HETATM  185  H   UNL     1     -16.013  -1.984  -3.063  1.00  0.00           H  
CONECT    1   76   81   79   96                                       
CONECT    2    3    6   15   97                                       
CONECT    3    4    2                                                 
CONECT    4    3    5   98   99                                       
CONECT    5    4    6                                                 
CONECT    6    5    2    7  100                                       
CONECT    7    6   11    8   12                                       
CONECT    8   10    7    9  101                                       
CONECT    9    8  102  103  104                                       
CONECT   10    8  105                                                 
CONECT   11    7  106                                                 
CONECT   12    7   14   13  107                                       
CONECT   13   12  108  109  110                                       
CONECT   14   15   12                                                 
CONECT   15    2   17   16   14                                       
CONECT   16   15   26                                                 
CONECT   17   18   15                                                 
CONECT   18   19   17   26  111                                       
CONECT   19   29   18   20  112                                       
CONECT   20   19   21                                                 
CONECT   21   22   22   20   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   25   24  113                                       
CONECT   24   23  114  115  116                                       
CONECT   25   23  117  118  119                                       
CONECT   26   18   27   16  120                                       
CONECT   27   28   26  121  122                                       
CONECT   28   29   27                                                 
CONECT   29   30   19   28  123                                       
CONECT   30   31   29                                                 
CONECT   31   30   37   32  124                                       
CONECT   32   31   33   35  125                                       
CONECT   33   32   34   42  126                                       
CONECT   34   33  127                                                 
CONECT   35   32   36                                                 
CONECT   36   35  128  129  130                                       
CONECT   37   31   38                                                 
CONECT   38   39   37   42  131                                       
CONECT   39   40   38  132  133                                       
CONECT   40   41   39                                                 
CONECT   41   40  134  135  136                                       
CONECT   42   38   33   43  137                                       
CONECT   43   44   42                                                 
CONECT   44   47   45   43  138                                       
CONECT   45   53   44   46  139                                       
CONECT   46   45  140                                                 
CONECT   47   48   44                                                 
CONECT   48   49   50   47  141                                       
CONECT   49   48  142  143  144                                       
CONECT   50   48   51   53  145                                       
CONECT   51   52   50                                                 
CONECT   52   51  146  147  148                                       
CONECT   53   50   54   45  149                                       
CONECT   54   55   53                                                 
CONECT   55   57   56   54  150                                       
CONECT   56   62   55  151  152                                       
CONECT   57   58   55                                                 
CONECT   58   59   60   57  153                                       
CONECT   59   58  154  155  156                                       
CONECT   60   61   58   62  157                                       
CONECT   61   60   65                                                 
CONECT   62   60   64   56   63                                       
CONECT   63   62  158  159  160                                       
CONECT   64   65   62                                                 
CONECT   65   61   66   69   64                                       
CONECT   66   65   67  161  162                                       
CONECT   67   66   68   72  163                                       
CONECT   68   67  164                                                 
CONECT   69   65   70                                                 
CONECT   70   69   72   71  165                                       
CONECT   71   70  166  167  168                                       
CONECT   72   67   70   73  169                                       
CONECT   73   72   74                                                 
CONECT   74   75   73   78  170                                       
CONECT   75   76   74  171  172                                       
CONECT   76   77   75    1  173                                       
CONECT   77   76  174                                                 
CONECT   78   74   79                                                 
CONECT   79    1   78   80  175                                       
CONECT   80   79  176  177  178                                       
CONECT   81   82    1                                                 
CONECT   82   83   83   84   81                                       
CONECT   83   82   82                                                 
CONECT   84   85   82   93   93                                       
CONECT   85   86   87   87   84                                       
CONECT   86   85  179  180  181                                       
CONECT   87   88   85   85   89                                       
CONECT   88   87                                                      
CONECT   89   87   90   91   91                                       
CONECT   90   89  182                                                 
CONECT   91   89   89   93   92                                       
CONECT   92   91                                                      
CONECT   93   84   84   91   94                                       
CONECT   94   93   95                                                 
CONECT   95   94  183  184  185                                       
CONECT   96    1                                                      
CONECT   97    2                                                      
CONECT   98    4                                                      
CONECT   99    4                                                      
CONECT  100    6                                                      
CONECT  101    8                                                      
CONECT  102    9                                                      
CONECT  103    9                                                      
CONECT  104    9                                                      
CONECT  105   10                                                      
CONECT  106   11                                                      
CONECT  107   12                                                      
CONECT  108   13                                                      
CONECT  109   13                                                      
CONECT  110   13                                                      
CONECT  111   18                                                      
CONECT  112   19                                                      
CONECT  113   23                                                      
CONECT  114   24                                                      
CONECT  115   24                                                      
CONECT  116   24                                                      
CONECT  117   25                                                      
CONECT  118   25                                                      
CONECT  119   25                                                      
CONECT  120   26                                                      
CONECT  121   27                                                      
CONECT  122   27                                                      
CONECT  123   29                                                      
CONECT  124   31                                                      
CONECT  125   32                                                      
CONECT  126   33                                                      
CONECT  127   34                                                      
CONECT  128   36                                                      
CONECT  129   36                                                      
CONECT  130   36                                                      
CONECT  131   38                                                      
CONECT  132   39                                                      
CONECT  133   39                                                      
CONECT  134   41                                                      
CONECT  135   41                                                      
CONECT  136   41                                                      
CONECT  137   42                                                      
CONECT  138   44                                                      
CONECT  139   45                                                      
CONECT  140   46                                                      
CONECT  141   48                                                      
CONECT  142   49                                                      
CONECT  143   49                                                      
CONECT  144   49                                                      
CONECT  145   50                                                      
CONECT  146   52                                                      
CONECT  147   52                                                      
CONECT  148   52                                                      
CONECT  149   53                                                      
CONECT  150   55                                                      
CONECT  151   56                                                      
CONECT  152   56                                                      
CONECT  153   58                                                      
CONECT  154   59                                                      
CONECT  155   59                                                      
CONECT  156   59                                                      
CONECT  157   60                                                      
CONECT  158   63                                                      
CONECT  159   63                                                      
CONECT  160   63                                                      
CONECT  161   66                                                      
CONECT  162   66                                                      
CONECT  163   67                                                      
CONECT  164   68                                                      
CONECT  165   70                                                      
CONECT  166   71                                                      
CONECT  167   71                                                      
CONECT  168   71                                                      
CONECT  169   72                                                      
CONECT  170   74                                                      
CONECT  171   75                                                      
CONECT  172   75                                                      
CONECT  173   76                                                      
CONECT  174   77                                                      
CONECT  175   79                                                      
CONECT  176   80                                                      
CONECT  177   80                                                      
CONECT  178   80                                                      
CONECT  179   86                                                      
CONECT  180   86                                                      
CONECT  181   86                                                      
CONECT  182   90                                                      
CONECT  183   95                                                      
CONECT  184   95                                                      
CONECT  185   95                                                      
MASTER        0    0    0    0    0    0    0    0  185    0  185    0
END
