COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.625  -3.221   1.428  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.986  -4.444   1.515  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.378  -5.488   0.699  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.410  -5.310  -0.205  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.048  -4.086  -0.292  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.659  -3.043   0.528  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.197  -2.082   2.318  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.813  -0.267   2.554  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.175  -1.326   1.665  1.00  0.00           O  
HETATM   10 BR   UNL     1      -4.947  -6.739  -1.321  1.00  0.00          Br  
HETATM   11  C   UNL     1      -0.716   0.585   1.913  1.00  0.00           C  
HETATM   12  C   UNL     1       0.461  -0.310   1.519  1.00  0.00           C  
HETATM   13  C   UNL     1       1.557   0.543   0.878  1.00  0.00           C  
HETATM   14  C   UNL     1       2.765  -0.316   0.602  1.00  0.00           C  
HETATM   15  O   UNL     1       2.749  -1.494   0.891  1.00  0.00           O  
HETATM   16  O   UNL     1       0.017  -1.297   0.586  1.00  0.00           O  
HETATM   17  N   UNL     1       9.879   1.934  -2.186  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.248   1.246   0.718  1.00  0.00           N  
HETATM   19  N   UNL     1       7.474  -0.301  -0.501  1.00  0.00           N  
HETATM   20  C   UNL     1       8.674   0.539  -0.537  1.00  0.00           C  
HETATM   21  C   UNL     1       9.900  -0.307  -0.193  1.00  0.00           C  
HETATM   22  C   UNL     1       9.793  -0.797   1.253  1.00  0.00           C  
HETATM   23  C   UNL     1      10.954  -1.745   1.558  1.00  0.00           C  
HETATM   24  C   UNL     1       9.848   0.401   2.203  1.00  0.00           C  
HETATM   25  C   UNL     1       8.837   1.123  -1.917  1.00  0.00           C  
HETATM   26  O   UNL     1       8.031   0.862  -2.785  1.00  0.00           O  
HETATM   27  N   UNL     1       3.861   0.225   0.036  1.00  0.00           N  
HETATM   28  C   UNL     1       5.035  -0.610  -0.232  1.00  0.00           C  
HETATM   29  C   UNL     1       4.864  -1.313  -1.580  1.00  0.00           C  
HETATM   30  C   UNL     1       6.269   0.255  -0.269  1.00  0.00           C  
HETATM   31  O   UNL     1       6.177   1.450  -0.089  1.00  0.00           O  
HETATM   32  N   UNL     1      -3.636   3.895  -0.016  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.475   3.084  -0.393  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.408   3.982  -1.022  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.888   4.967   0.026  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.252   3.120  -1.532  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.909   2.415   0.833  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.049   2.928   1.923  1.00  0.00           O  
HETATM   39  C   UNL     1      -5.764   4.991  -0.545  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.895   6.181   1.076  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.910   6.500   0.187  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.746   5.272  -1.491  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.839   6.040  -1.119  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.590   4.171  -0.927  1.00  0.00           C  
HETATM   45  O   UNL     1      -4.488   3.747  -2.061  1.00  0.00           O  
HETATM   46  N   UNL     1      -5.872   5.446   0.697  1.00  0.00           N  
HETATM   47  H   UNL     1      -2.181  -4.583   2.221  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.879  -6.444   0.768  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.853  -3.946  -0.998  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.158  -2.088   0.460  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.811  -2.480   3.256  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.052  -1.438   2.520  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.445  -0.688   3.490  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.686   0.354   2.753  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.378   1.338   2.625  1.00  0.00           H  
HETATM   56  H   UNL     1       0.856  -0.802   2.408  1.00  0.00           H  
HETATM   57  H   UNL     1       1.833   1.351   1.556  1.00  0.00           H  
HETATM   58  H   UNL     1       1.190   0.964  -0.058  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.324  -0.821  -0.183  1.00  0.00           H  
HETATM   60  H   UNL     1      10.524   2.143  -1.492  1.00  0.00           H  
HETATM   61  H   UNL     1       9.984   2.310  -3.075  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.123   0.843  -0.155  1.00  0.00           H  
HETATM   63  H   UNL     1       7.548  -1.258  -0.645  1.00  0.00           H  
HETATM   64  H   UNL     1       8.574   1.346   0.189  1.00  0.00           H  
HETATM   65  H   UNL     1      10.801   0.295  -0.306  1.00  0.00           H  
HETATM   66  H   UNL     1       9.950  -1.165  -0.864  1.00  0.00           H  
HETATM   67  H   UNL     1       8.848  -1.325   1.388  1.00  0.00           H  
HETATM   68  H   UNL     1      10.878  -2.094   2.588  1.00  0.00           H  
HETATM   69  H   UNL     1      10.915  -2.598   0.881  1.00  0.00           H  
HETATM   70  H   UNL     1      11.899  -1.217   1.423  1.00  0.00           H  
HETATM   71  H   UNL     1      10.792   0.928   2.067  1.00  0.00           H  
HETATM   72  H   UNL     1       9.020   1.076   1.985  1.00  0.00           H  
HETATM   73  H   UNL     1       9.771   0.051   3.232  1.00  0.00           H  
HETATM   74  H   UNL     1       3.873   1.167  -0.195  1.00  0.00           H  
HETATM   75  H   UNL     1       5.137  -1.356   0.556  1.00  0.00           H  
HETATM   76  H   UNL     1       4.762  -0.567  -2.368  1.00  0.00           H  
HETATM   77  H   UNL     1       5.737  -1.934  -1.780  1.00  0.00           H  
HETATM   78  H   UNL     1       3.972  -1.938  -1.554  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.717   4.233   0.890  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.781   2.324  -1.113  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.844   4.535  -1.855  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.452   4.414   0.859  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.128   5.607  -0.422  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.712   5.581   0.389  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.638   2.351  -2.201  1.00  0.00           H  
HETATM   86  H   UNL     1       0.459   3.747  -2.071  1.00  0.00           H  
HETATM   87  H   UNL     1       0.249   2.648  -0.687  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.947   6.537   2.094  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.747   7.101   0.509  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.659   4.898  -2.500  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.616   6.276  -1.830  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   47                                       
CONECT    3    2    4    4   48                                       
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6   49                                       
CONECT    6    1    5    5   50                                       
CONECT    7    1    9   51   52                                       
CONECT    8    9   11   53   54                                       
CONECT    9    7    8                                                 
CONECT   10    4                                                      
CONECT   11    8   12   18   55                                       
CONECT   12   11   13   16   56                                       
CONECT   13   12   14   57   58                                       
CONECT   14   13   15   15   27                                       
CONECT   15   14   14                                                 
CONECT   16   12   59                                                 
CONECT   17   25   60   61                                            
CONECT   18   11   37   62                                            
CONECT   19   20   30   63                                            
CONECT   20   19   21   25   64                                       
CONECT   21   20   22   65   66                                       
CONECT   22   21   23   24   67                                       
CONECT   23   22   68   69   70                                       
CONECT   24   22   71   72   73                                       
CONECT   25   17   20   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   14   28   74                                            
CONECT   28   27   29   30   75                                       
CONECT   29   28   76   77   78                                       
CONECT   30   19   28   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   33   44   79                                            
CONECT   33   32   34   37   80                                       
CONECT   34   33   35   36   81                                       
CONECT   35   34   82   83   84                                       
CONECT   36   34   85   86   87                                       
CONECT   37   18   33   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   42   42   44   46                                       
CONECT   40   41   46   46   88                                       
CONECT   41   40   43   43   89                                       
CONECT   42   39   39   43   90                                       
CONECT   43   41   41   42   91                                       
CONECT   44   32   39   45   45                                       
CONECT   45   44   44                                                 
CONECT   46   39   40   40                                            
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
