COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.127  -2.250  -1.744  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.196  -3.508  -0.910  1.00  0.00           C  
HETATM    3  C   UNL     1       2.388  -1.562  -2.199  1.00  0.00           C  
HETATM    4  N   UNL     1       2.833  -0.621  -1.163  1.00  0.00           N  
HETATM    5  C   UNL     1       3.248  -1.334   0.053  1.00  0.00           C  
HETATM    6  C   UNL     1       3.629  -0.319   1.133  1.00  0.00           C  
HETATM    7  N   UNL     1       4.712   0.539   0.634  1.00  0.00           N  
HETATM    8  C   UNL     1       4.298   1.253  -0.582  1.00  0.00           C  
HETATM    9  C   UNL     1       3.917   0.237  -1.661  1.00  0.00           C  
HETATM   10  C   UNL     1       5.158   1.480   1.671  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.675  -7.541   0.633  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.666  -7.323   2.147  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.976  -6.656   2.573  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.852  -8.441   0.254  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.712  -9.790   0.963  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.812  -6.213  -0.065  1.00  0.00           C  
HETATM   17  C   UNL     1       0.615  -8.198   0.213  1.00  0.00           C  
HETATM   18  O   UNL     1       0.594  -9.275  -0.333  1.00  0.00           O  
HETATM   19  N   UNL     1       0.117  -5.254   0.120  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.759  -6.006  -0.795  1.00  0.00           O  
HETATM   21  C   UNL     1       0.042  -4.058  -0.602  1.00  0.00           C  
HETATM   22  C   UNL     1       1.204  -3.428  -1.026  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.107  -1.699  -2.040  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.266  -2.327  -1.623  1.00  0.00           C  
HETATM   25  C   UNL     1       6.419   2.169   1.215  1.00  0.00           C  
HETATM   26  C   UNL     1       6.342   3.350   0.502  1.00  0.00           C  
HETATM   27  C   UNL     1       7.499   3.982   0.084  1.00  0.00           C  
HETATM   28  C   UNL     1       8.733   3.432   0.380  1.00  0.00           C  
HETATM   29  C   UNL     1       8.809   2.250   1.094  1.00  0.00           C  
HETATM   30  C   UNL     1       7.653   1.621   1.516  1.00  0.00           C  
HETATM   31 BR   UNL     1      10.315   4.296  -0.191  1.00  0.00          Br  
HETATM   32  C   UNL     1      -2.608  -1.730  -1.959  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.021  -0.818  -0.883  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.131   0.348  -0.810  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.546   1.230   0.370  1.00  0.00           C  
HETATM   36  N   UNL     1      -3.944   1.648   0.198  1.00  0.00           N  
HETATM   37  C   UNL     1      -4.834   0.481   0.125  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.420  -0.400  -1.055  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.357   2.559   1.274  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.699   3.157   0.939  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.771   4.336   0.220  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.001   4.884  -0.088  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.162   4.253   0.322  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.090   3.073   1.041  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.859   2.523   1.344  1.00  0.00           C  
HETATM   46 BR   UNL     1      -9.846   5.003  -0.098  1.00  0.00          Br  
HETATM   47  H   UNL     1      -2.101  -3.998  -0.586  1.00  0.00           H  
HETATM   48  H   UNL     1       3.165  -2.306  -2.373  1.00  0.00           H  
HETATM   49  H   UNL     1       2.191  -1.018  -3.123  1.00  0.00           H  
HETATM   50  H   UNL     1       2.425  -1.953   0.410  1.00  0.00           H  
HETATM   51  H   UNL     1       4.107  -1.967  -0.171  1.00  0.00           H  
HETATM   52  H   UNL     1       2.762   0.295   1.377  1.00  0.00           H  
HETATM   53  H   UNL     1       3.964  -0.846   2.026  1.00  0.00           H  
HETATM   54  H   UNL     1       3.438   1.885  -0.357  1.00  0.00           H  
HETATM   55  H   UNL     1       5.121   1.872  -0.939  1.00  0.00           H  
HETATM   56  H   UNL     1       4.784  -0.377  -1.905  1.00  0.00           H  
HETATM   57  H   UNL     1       3.582   0.764  -2.555  1.00  0.00           H  
HETATM   58  H   UNL     1       4.381   2.224   1.845  1.00  0.00           H  
HETATM   59  H   UNL     1       5.354   0.937   2.595  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.567  -8.283   2.652  1.00  0.00           H  
HETATM   61  H   UNL     1       0.172  -6.681   2.417  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.970  -6.500   3.652  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.076  -5.695   2.068  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.815  -7.297   2.303  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.785  -7.966   0.558  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.858  -8.597  -0.825  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.780 -10.265   0.660  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.707  -9.634   2.042  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.552 -10.431   0.693  1.00  0.00           H  
HETATM   70  H   UNL     1       1.558  -7.706   0.401  1.00  0.00           H  
HETATM   71  H   UNL     1       0.837  -5.394   0.754  1.00  0.00           H  
HETATM   72  H   UNL     1       2.168  -3.858  -0.795  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.164  -0.776  -2.597  1.00  0.00           H  
HETATM   74  H   UNL     1       5.379   3.780   0.271  1.00  0.00           H  
HETATM   75  H   UNL     1       7.439   4.905  -0.473  1.00  0.00           H  
HETATM   76  H   UNL     1       9.772   1.819   1.325  1.00  0.00           H  
HETATM   77  H   UNL     1       7.712   0.700   2.077  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.536  -1.176  -2.895  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.345  -2.526  -2.063  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.103   0.013  -0.670  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.205   0.920  -1.735  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.446   0.666   1.298  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.905   2.111   0.409  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.761  -0.091   1.050  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.862   0.816  -0.014  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.519   0.163  -1.983  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.060  -1.281  -1.094  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.430   2.006   2.211  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.621   3.356   1.379  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.865   4.828  -0.100  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.057   5.805  -0.649  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.996   2.580   1.362  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.803   1.599   1.902  1.00  0.00           H  
CONECT    1   22    3   23   23                                       
CONECT    2   21   24   24   47                                       
CONECT    3    4    1   48   49                                       
CONECT    4    5    9    3                                            
CONECT    5    6    4   50   51                                       
CONECT    6    7    5   52   53                                       
CONECT    7    6   10    8                                            
CONECT    8    7    9   54   55                                       
CONECT    9    8    4   56   57                                       
CONECT   10    7   25   58   59                                       
CONECT   11   17   12   14   16                                       
CONECT   12   13   11   60   61                                       
CONECT   13   12   62   63   64                                       
CONECT   14   15   11   65   66                                       
CONECT   15   14   67   68   69                                       
CONECT   16   11   20   20   19                                       
CONECT   17   18   18   11   70                                       
CONECT   18   17   17                                                 
CONECT   19   16   21   71                                            
CONECT   20   16   16                                                 
CONECT   21   19   22   22    2                                       
CONECT   22   21   21    1   72                                       
CONECT   23    1    1   24   73                                       
CONECT   24    2    2   23   32                                       
CONECT   25   10   30   30   26                                       
CONECT   26   25   27   27   74                                       
CONECT   27   26   26   28   75                                       
CONECT   28   29   29   27   31                                       
CONECT   29   30   28   28   76                                       
CONECT   30   25   25   29   77                                       
CONECT   31   28                                                      
CONECT   32   24   33   78   79                                       
CONECT   33   32   34   38                                            
CONECT   34   33   35   80   81                                       
CONECT   35   34   36   82   83                                       
CONECT   36   35   37   39                                            
CONECT   37   38   36   84   85                                       
CONECT   38   33   37   86   87                                       
CONECT   39   36   40   88   89                                       
CONECT   40   39   41   41   45                                       
CONECT   41   40   40   42   90                                       
CONECT   42   41   43   43   91                                       
CONECT   43   42   42   44   46                                       
CONECT   44   45   45   43   92                                       
CONECT   45   40   44   44   93                                       
CONECT   46   43                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   17                                                      
CONECT   71   19                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
