COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.773   1.032   0.331  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.140   2.383   0.799  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.979   0.066   1.040  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.842   4.918   1.681  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.250   4.756   0.428  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.905   3.495  -0.015  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.782   6.254   3.407  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.413   5.600  -1.632  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.922  -0.939  -2.448  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.474  -2.161  -2.118  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.102   0.057  -2.428  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.433  -0.814  -2.646  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.770  -0.458  -1.314  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.250  -0.454  -1.487  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.746  -3.568  -1.558  1.00  0.00           C  
HETATM   16  C   UNL     1     -10.503  -3.764  -1.438  1.00  0.00           C  
HETATM   17  C   UNL     1       0.413  -0.056  -0.167  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.735   0.169  -2.604  1.00  0.00           C  
HETATM   19  C   UNL     1       2.512  -1.479  -0.075  1.00  0.00           C  
HETATM   20  C   UNL     1       2.762  -1.679   1.421  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.216   0.869  -0.885  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.728   2.552   2.056  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.076   3.815   2.489  1.00  0.00           C  
HETATM   24 BR   UNL     1      -4.049   1.052   3.161  1.00  0.00          Br  
HETATM   25  O   UNL     1      -4.180   6.160   2.114  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.023   5.839  -0.362  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.846  -2.276  -1.941  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.659  -1.163  -2.097  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.391  -3.478  -1.616  1.00  0.00           O  
HETATM   30  C   UNL     1      -8.489  -3.641  -2.727  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.865  -3.738  -2.665  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.765  -3.687  -0.271  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.388  -3.594  -0.328  1.00  0.00           C  
HETATM   34  O   UNL     1       0.112   0.484  -2.503  1.00  0.00           O  
HETATM   35  N   UNL     1       1.867  -0.181  -0.292  1.00  0.00           N  
HETATM   36  C   UNL     1       3.459  -2.997   1.642  1.00  0.00           C  
HETATM   37  C   UNL     1       4.837  -3.077   1.536  1.00  0.00           C  
HETATM   38  C   UNL     1       5.477  -4.286   1.738  1.00  0.00           C  
HETATM   39  C   UNL     1       4.740  -5.415   2.046  1.00  0.00           C  
HETATM   40  C   UNL     1       3.363  -5.334   2.151  1.00  0.00           C  
HETATM   41  C   UNL     1       2.724  -4.124   1.955  1.00  0.00           C  
HETATM   42 CL   UNL     1       5.761  -1.659   1.149  1.00  0.00          Cl  
HETATM   43 CL   UNL     1       5.542  -6.934   2.300  1.00  0.00          Cl  
HETATM   44  C   UNL     1       2.611   0.897  -0.608  1.00  0.00           C  
HETATM   45  O   UNL     1       2.078   1.971  -0.788  1.00  0.00           O  
HETATM   46  C   UNL     1       4.107   0.768  -0.737  1.00  0.00           C  
HETATM   47  C   UNL     1       4.707   2.128  -1.100  1.00  0.00           C  
HETATM   48  N   UNL     1       6.161   2.003  -1.225  1.00  0.00           N  
HETATM   49  C   UNL     1       7.030   2.169  -0.212  1.00  0.00           C  
HETATM   50  C   UNL     1       6.803   1.701  -2.368  1.00  0.00           C  
HETATM   51  C   UNL     1       8.256   1.665  -2.097  1.00  0.00           C  
HETATM   52  C   UNL     1       8.400   1.963  -0.727  1.00  0.00           C  
HETATM   53  C   UNL     1       9.663   2.003  -0.160  1.00  0.00           C  
HETATM   54  C   UNL     1      10.778   1.753  -0.946  1.00  0.00           C  
HETATM   55  C   UNL     1      10.637   1.464  -2.290  1.00  0.00           C  
HETATM   56  C   UNL     1       9.378   1.414  -2.870  1.00  0.00           C  
HETATM   57  O   UNL     1       6.277   1.492  -3.443  1.00  0.00           O  
HETATM   58  O   UNL     1       6.737   2.444   0.934  1.00  0.00           O  
HETATM   59  H   UNL     1      -2.454   3.367  -0.988  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.707   5.678   3.419  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.098   5.858   4.156  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.002   7.298   3.630  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.289   6.546  -2.159  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.438   5.135  -1.485  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.047   4.937  -2.220  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.839  -3.026  -1.997  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.734   0.924  -2.549  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.034  -1.761  -3.010  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.228  -0.030  -3.375  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.048  -1.196  -0.562  1.00  0.00           H  
HETATM   71  H   UNL     1       0.086  -1.450  -1.776  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.579  -3.836  -1.392  1.00  0.00           H  
HETATM   73  H   UNL     1       0.156   0.976   0.072  1.00  0.00           H  
HETATM   74  H   UNL     1       0.059  -0.711   0.629  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.301   1.124  -2.862  1.00  0.00           H  
HETATM   76  H   UNL     1       3.462  -1.506  -0.609  1.00  0.00           H  
HETATM   77  H   UNL     1       1.864  -2.273  -0.445  1.00  0.00           H  
HETATM   78  H   UNL     1       3.388  -0.870   1.797  1.00  0.00           H  
HETATM   79  H   UNL     1       1.810  -1.679   1.952  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.111   1.631  -1.477  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.534   3.945   3.458  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.727  -1.250  -1.960  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.991  -3.620  -3.686  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.444  -3.795  -3.575  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.266  -3.699   0.686  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.812  -3.543   0.584  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.087   1.403  -2.278  1.00  0.00           H  
HETATM   88  H   UNL     1       6.552  -4.348   1.655  1.00  0.00           H  
HETATM   89  H   UNL     1       2.787  -6.216   2.392  1.00  0.00           H  
HETATM   90  H   UNL     1       1.649  -4.061   2.042  1.00  0.00           H  
HETATM   91  H   UNL     1       4.526   0.427   0.210  1.00  0.00           H  
HETATM   92  H   UNL     1       4.344   0.047  -1.520  1.00  0.00           H  
HETATM   93  H   UNL     1       4.288   2.469  -2.047  1.00  0.00           H  
HETATM   94  H   UNL     1       4.471   2.849  -0.318  1.00  0.00           H  
HETATM   95  H   UNL     1       9.779   2.228   0.890  1.00  0.00           H  
HETATM   96  H   UNL     1      11.763   1.784  -0.504  1.00  0.00           H  
HETATM   97  H   UNL     1      11.512   1.272  -2.892  1.00  0.00           H  
HETATM   98  H   UNL     1       9.274   1.183  -3.920  1.00  0.00           H  
CONECT    1    2   21    3    3                                       
CONECT    2   22   22    6    1                                       
CONECT    3    1    1                                                 
CONECT    4   25   23   23    5                                       
CONECT    5    4   26    6    6                                       
CONECT    6    5    5    2   59                                       
CONECT    7   25   60   61   62                                       
CONECT    8   26   63   64   65                                       
CONECT    9   12   10   10   18                                       
CONECT   10    9    9   27   66                                       
CONECT   11   18   18   28   67                                       
CONECT   12   13    9   68   69                                       
CONECT   13   14   21   12   70                                       
CONECT   14   17   34   13   71                                       
CONECT   15   30   29   33   33                                       
CONECT   16   31   32   32   72                                       
CONECT   17   35   14   73   74                                       
CONECT   18    9   11   11   75                                       
CONECT   19   20   35   76   77                                       
CONECT   20   36   19   78   79                                       
CONECT   21    1   13   80                                            
CONECT   22   23   24    2    2                                       
CONECT   23    4    4   22   81                                       
CONECT   24   22                                                      
CONECT   25    7    4                                                 
CONECT   26    5    8                                                 
CONECT   27   10   29   28   28                                       
CONECT   28   27   27   11   82                                       
CONECT   29   27   15                                                 
CONECT   30   31   31   15   83                                       
CONECT   31   30   30   16   84                                       
CONECT   32   16   16   33   85                                       
CONECT   33   15   15   32   86                                       
CONECT   34   14   87                                                 
CONECT   35   19   17   44                                            
CONECT   36   20   41   41   37                                       
CONECT   37   36   42   38   38                                       
CONECT   38   37   37   39   88                                       
CONECT   39   40   40   38   43                                       
CONECT   40   41   39   39   89                                       
CONECT   41   36   36   40   90                                       
CONECT   42   37                                                      
CONECT   43   39                                                      
CONECT   44   35   46   45   45                                       
CONECT   45   44   44                                                 
CONECT   46   44   47   91   92                                       
CONECT   47   46   48   93   94                                       
CONECT   48   49   47   50                                            
CONECT   49   58   58   52   48                                       
CONECT   50   48   51   57   57                                       
CONECT   51   52   50   56   56                                       
CONECT   52   53   53   49   51                                       
CONECT   53   52   52   54   95                                       
CONECT   54   53   55   55   96                                       
CONECT   55   54   54   56   97                                       
CONECT   56   51   51   55   98                                       
CONECT   57   50   50                                                 
CONECT   58   49   49                                                 
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   23                                                      
CONECT   82   28                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   38                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   46                                                      
CONECT   92   46                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
CONECT   95   53                                                      
CONECT   96   54                                                      
CONECT   97   55                                                      
CONECT   98   56                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
