COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.016  -0.427  -0.937  1.00  0.00           N  
HETATM    2  N   UNL     1      -0.937   3.950   2.502  1.00  0.00           N  
HETATM    3  C   UNL     1       5.687  -0.422  -2.118  1.00  0.00           C  
HETATM    4  C   UNL     1       3.706   0.221  -0.844  1.00  0.00           C  
HETATM    5  C   UNL     1       3.886   1.663  -0.443  1.00  0.00           C  
HETATM    6  C   UNL     1       2.682   2.555  -0.277  1.00  0.00           C  
HETATM    7  C   UNL     1       3.139   3.957   0.131  1.00  0.00           C  
HETATM    8  C   UNL     1       3.225   6.816  -0.325  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.174   4.461   1.516  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.762   4.080  -0.585  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.641   2.051   1.253  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.065  -1.201  -2.512  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.471  -1.230  -4.768  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.050   0.089  -4.865  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.572  -3.809   0.206  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.435  -5.865   1.168  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.887  -3.547   0.969  1.00  0.00           C  
HETATM   18  N   UNL     1       6.849  -0.979  -2.282  1.00  0.00           N  
HETATM   19  C   UNL     1       8.722  -2.902   0.867  1.00  0.00           C  
HETATM   20  O   UNL     1       4.994   2.103  -0.254  1.00  0.00           O  
HETATM   21  C   UNL     1       9.338  -2.850  -0.379  1.00  0.00           C  
HETATM   22  C   UNL     1       2.375   6.235   0.809  1.00  0.00           C  
HETATM   23  C   UNL     1       1.914   4.828   0.421  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.306   4.155  -0.111  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.098   1.975   0.779  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.716   2.061  -1.588  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.645   0.135  -2.609  1.00  0.00           C  
HETATM   28  C   UNL     1       8.731  -2.214  -1.440  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.064  -1.886  -1.203  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.594  -5.341   0.023  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.178  -4.833   1.711  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.025  -5.082   2.778  1.00  0.00           C  
HETATM   33  C   UNL     1       7.482  -1.615  -1.264  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.130  -6.357   3.300  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.387  -7.388   2.756  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.541  -7.141   1.692  1.00  0.00           C  
HETATM   37  C   UNL     1       5.545  -1.030   0.154  1.00  0.00           C  
HETATM   38  C   UNL     1       6.859  -1.670   0.003  1.00  0.00           C  
HETATM   39  C   UNL     1       7.490  -2.318   1.064  1.00  0.00           C  
HETATM   40  C   UNL     1       4.412   5.888  -0.593  1.00  0.00           C  
HETATM   41  N   UNL     1       3.918   4.555  -0.961  1.00  0.00           N  
HETATM   42  N   UNL     1      -3.193   3.448   1.173  1.00  0.00           N  
HETATM   43  N   UNL     1      -5.211   2.682  -0.505  1.00  0.00           N  
HETATM   44  N   UNL     1      -6.225   0.817  -1.476  1.00  0.00           N  
HETATM   45  N   UNL     1      -7.470  -1.844  -3.603  1.00  0.00           N  
HETATM   46  N   UNL     1      -6.650   0.742  -3.789  1.00  0.00           N  
HETATM   47  N   UNL     1      -7.573  -3.129  -1.092  1.00  0.00           N  
HETATM   48  O   UNL     1       1.155   4.248   1.514  1.00  0.00           O  
HETATM   49  O   UNL     1      -0.686   5.114   0.628  1.00  0.00           O  
HETATM   50  O   UNL     1      -3.087   3.526   3.637  1.00  0.00           O  
HETATM   51  O   UNL     1      -2.756   5.605   2.290  1.00  0.00           O  
HETATM   52  O   UNL     1      -5.715   2.622  -2.667  1.00  0.00           O  
HETATM   53  O   UNL     1      -6.603  -1.329  -0.225  1.00  0.00           O  
HETATM   54  O   UNL     1       4.954  -1.041   1.219  1.00  0.00           O  
HETATM   55  S   UNL     1      -2.572   4.212   2.504  1.00  0.00           S  
HETATM   56 BR   UNL     1      11.029  -3.661  -0.621  1.00  0.00          Br  
HETATM   57 CL   UNL     1       9.512  -3.711   2.184  1.00  0.00          Cl  
HETATM   58  H   UNL     1      -0.529   3.429   3.211  1.00  0.00           H  
HETATM   59  H   UNL     1       5.231   0.070  -2.964  1.00  0.00           H  
HETATM   60  H   UNL     1       3.207   0.173  -1.812  1.00  0.00           H  
HETATM   61  H   UNL     1       3.099  -0.291  -0.097  1.00  0.00           H  
HETATM   62  H   UNL     1       2.138   2.610  -1.220  1.00  0.00           H  
HETATM   63  H   UNL     1       2.030   2.146   0.495  1.00  0.00           H  
HETATM   64  H   UNL     1       3.758   3.891   1.025  1.00  0.00           H  
HETATM   65  H   UNL     1       2.619   6.902  -1.227  1.00  0.00           H  
HETATM   66  H   UNL     1       3.592   7.801  -0.037  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.389   4.702   0.054  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.830   4.427  -1.616  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.574   1.704   2.284  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.015   1.428   0.614  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.800  -1.755  -5.653  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.054   0.585  -5.825  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.711  -3.502   0.801  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.759  -2.724   1.673  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.693  -3.324   0.269  1.00  0.00           H  
HETATM   76  H   UNL     1       2.970   6.185   1.721  1.00  0.00           H  
HETATM   77  H   UNL     1       1.506   6.871   0.974  1.00  0.00           H  
HETATM   78  H   UNL     1       1.288   4.883  -0.469  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.656   3.683  -0.847  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.018   5.198   0.020  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.386   0.932   0.648  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.748   2.445   1.516  1.00  0.00           H  
HETATM   83  H   UNL     1       9.218  -2.180  -2.403  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.052  -5.601  -0.932  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.583  -5.744   0.080  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.605  -4.277   3.203  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.791  -6.548   4.132  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.467  -8.385   3.163  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.960  -7.948   1.268  1.00  0.00           H  
HETATM   90  H   UNL     1       7.016  -2.362   2.033  1.00  0.00           H  
HETATM   91  H   UNL     1       5.011   6.291  -1.410  1.00  0.00           H  
HETATM   92  H   UNL     1       5.025   5.813   0.305  1.00  0.00           H  
HETATM   93  H   UNL     1       4.679   3.951  -1.235  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.296   0.400  -0.604  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.941  -3.574  -1.872  1.00  0.00           H  
CONECT    1    4    3   37                                            
CONECT    2    9   55   58                                            
CONECT    3    1   18   18   59                                       
CONECT    4    5    1   60   61                                       
CONECT    5    6    4   20   20                                       
CONECT    6    7    5   62   63                                       
CONECT    7   23    6   41   64                                       
CONECT    8   22   40   65   66                                       
CONECT    9   49   49   48    2                                       
CONECT   10   24   43   67   68                                       
CONECT   11   42   25   69   70                                       
CONECT   12   27   29   45   45                                       
CONECT   13   14   14   45   71                                       
CONECT   14   46   13   13   72                                       
CONECT   15   17   47   30   73                                       
CONECT   16   31   30   36   36                                       
CONECT   17   15   31   74   75                                       
CONECT   18    3    3   33                                            
CONECT   19   39   39   21   57                                       
CONECT   20    5    5                                                 
CONECT   21   28   28   19   56                                       
CONECT   22   23    8   76   77                                       
CONECT   23   48   22    7   78                                       
CONECT   24   10   42   79   80                                       
CONECT   25   43   11   81   82                                       
CONECT   26   52   52   43   44                                       
CONECT   27   44   46   46   12                                       
CONECT   28   33   21   21   83                                       
CONECT   29   53   53   12   47                                       
CONECT   30   15   16   84   85                                       
CONECT   31   17   32   32   16                                       
CONECT   32   31   31   34   86                                       
CONECT   33   18   38   38   28                                       
CONECT   34   32   35   35   87                                       
CONECT   35   34   34   36   88                                       
CONECT   36   16   16   35   89                                       
CONECT   37    1   54   54   38                                       
CONECT   38   37   33   33   39                                       
CONECT   39   38   19   19   90                                       
CONECT   40    8   41   91   92                                       
CONECT   41    7   40   93                                            
CONECT   42   24   11   55                                            
CONECT   43   10   26   25                                            
CONECT   44   26   27   94                                            
CONECT   45   12   12   13                                            
CONECT   46   27   27   14                                            
CONECT   47   29   15   95                                            
CONECT   48    9   23                                                 
CONECT   49    9    9                                                 
CONECT   50   55   55                                                 
CONECT   51   55   55                                                 
CONECT   52   26   26                                                 
CONECT   53   29   29                                                 
CONECT   54   37   37                                                 
CONECT   55   42    2   50   50                                       
CONECT   55   51   51                                                 
CONECT   56   21                                                      
CONECT   57   19                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   17                                                      
CONECT   75   17                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   28                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   44                                                      
CONECT   95   47                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
