COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.590   3.166  -3.139  1.00  0.00           C  
HETATM    2  C   UNL     1       5.169  -0.478  -3.982  1.00  0.00           C  
HETATM    3  C   UNL     1       4.186  -3.640  -2.482  1.00  0.00           C  
HETATM    4  C   UNL     1       1.231   2.226   3.661  1.00  0.00           C  
HETATM    5  C   UNL     1       0.439   1.178   3.467  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.119  -0.325   5.360  1.00  0.00           C  
HETATM    7  C   UNL     1       0.211  -0.687   1.734  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.102   0.098   1.735  1.00  0.00           C  
HETATM    9  C   UNL     1       1.025   3.454   2.881  1.00  0.00           C  
HETATM   10  C   UNL     1       1.885   5.531   2.007  1.00  0.00           C  
HETATM   11  C   UNL     1       2.967   5.093   1.046  1.00  0.00           C  
HETATM   12  C   UNL     1       2.679   4.667  -0.179  1.00  0.00           C  
HETATM   13  C   UNL     1       3.764   4.219  -1.066  1.00  0.00           C  
HETATM   14  C   UNL     1       5.200   4.392  -0.639  1.00  0.00           C  
HETATM   15  C   UNL     1       3.487   3.650  -2.235  1.00  0.00           C  
HETATM   16  C   UNL     1       5.055   1.781  -2.671  1.00  0.00           C  
HETATM   17  C   UNL     1       4.389   0.724  -3.512  1.00  0.00           C  
HETATM   18  C   UNL     1       4.812  -1.661  -3.120  1.00  0.00           C  
HETATM   19  C   UNL     1       4.392  -2.876  -1.383  1.00  0.00           C  
HETATM   20  C   UNL     1       0.748  -0.152   4.112  1.00  0.00           C  
HETATM   21  C   UNL     1       0.451  -1.282   3.123  1.00  0.00           C  
HETATM   22  C   UNL     1       1.365   0.250   1.374  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.349  -0.113   0.959  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.585  -0.158   0.157  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.388  -0.468  -0.939  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.611   0.157  -1.073  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.291   1.358   0.872  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.057   0.778   1.077  1.00  0.00           C  
HETATM   29  C   UNL     1       1.651  -2.983   1.969  1.00  0.00           C  
HETATM   30  C   UNL     1       2.702  -4.051   1.838  1.00  0.00           C  
HETATM   31  C   UNL     1       2.074  -5.432   2.085  1.00  0.00           C  
HETATM   32  C   UNL     1       1.816  -6.014   0.684  1.00  0.00           C  
HETATM   33  C   UNL     1       2.559  -5.099  -0.300  1.00  0.00           C  
HETATM   34  C   UNL     1       4.155  -3.194   0.025  1.00  0.00           C  
HETATM   35  N   UNL     1       1.822   4.537   3.094  1.00  0.00           N  
HETATM   36  N   UNL     1       4.817  -1.653  -1.820  1.00  0.00           N  
HETATM   37  N   UNL     1      -4.344  -0.772   0.332  1.00  0.00           N  
HETATM   38  N   UNL     1      -8.022   1.038  -0.180  1.00  0.00           N  
HETATM   39  N   UNL     1       3.224  -4.046   0.463  1.00  0.00           N  
HETATM   40  O   UNL     1       0.142   3.503   2.046  1.00  0.00           O  
HETATM   41  O   UNL     1       4.460  -2.879  -3.556  1.00  0.00           O  
HETATM   42  O   UNL     1       3.224   0.839  -3.812  1.00  0.00           O  
HETATM   43  O   UNL     1       5.687   4.080  -3.086  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.126  -0.668   1.046  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.557   0.981   1.445  1.00  0.00           O  
HETATM   46  O   UNL     1       1.563  -2.209   3.060  1.00  0.00           O  
HETATM   47  O   UNL     1       4.854  -2.645   0.855  1.00  0.00           O  
HETATM   48  O   UNL     1       0.864  -2.818   1.067  1.00  0.00           O  
HETATM   49 BR   UNL     1      -8.712  -0.253  -2.555  1.00  0.00          Br  
HETATM   50  H   UNL     1       4.221   3.099  -4.162  1.00  0.00           H  
HETATM   51  H   UNL     1       4.917  -0.694  -5.020  1.00  0.00           H  
HETATM   52  H   UNL     1       6.237  -0.274  -3.901  1.00  0.00           H  
HETATM   53  H   UNL     1       3.862  -4.670  -2.493  1.00  0.00           H  
HETATM   54  H   UNL     1       2.026   2.172   4.392  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.401   1.264   2.792  1.00  0.00           H  
HETATM   56  H   UNL     1       0.103  -1.284   5.827  1.00  0.00           H  
HETATM   57  H   UNL     1       0.093   0.480   6.064  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.172  -0.293   5.078  1.00  0.00           H  
HETATM   59  H   UNL     1       0.152  -1.491   0.999  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.416   0.281   2.763  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.957   1.051   1.225  1.00  0.00           H  
HETATM   62  H   UNL     1       2.130   6.511   2.416  1.00  0.00           H  
HETATM   63  H   UNL     1       0.927   5.576   1.489  1.00  0.00           H  
HETATM   64  H   UNL     1       3.994   5.126   1.382  1.00  0.00           H  
HETATM   65  H   UNL     1       1.657   4.672  -0.525  1.00  0.00           H  
HETATM   66  H   UNL     1       5.253   4.432   0.449  1.00  0.00           H  
HETATM   67  H   UNL     1       5.790   3.550  -1.002  1.00  0.00           H  
HETATM   68  H   UNL     1       5.594   5.319  -1.057  1.00  0.00           H  
HETATM   69  H   UNL     1       2.452   3.547  -2.535  1.00  0.00           H  
HETATM   70  H   UNL     1       6.137   1.705  -2.778  1.00  0.00           H  
HETATM   71  H   UNL     1       4.782   1.641  -1.625  1.00  0.00           H  
HETATM   72  H   UNL     1       1.801  -0.183   4.393  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.444  -1.815   3.445  1.00  0.00           H  
HETATM   74  H   UNL     1       1.539   0.215   0.298  1.00  0.00           H  
HETATM   75  H   UNL     1       1.112   1.268   1.668  1.00  0.00           H  
HETATM   76  H   UNL     1       2.267  -0.067   1.898  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.057  -1.188  -1.674  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.663   2.083   1.579  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.464   1.044   1.940  1.00  0.00           H  
HETATM   80  H   UNL     1       3.515  -3.865   2.534  1.00  0.00           H  
HETATM   81  H   UNL     1       2.765  -6.068   2.638  1.00  0.00           H  
HETATM   82  H   UNL     1       1.135  -5.328   2.630  1.00  0.00           H  
HETATM   83  H   UNL     1       2.207  -7.030   0.622  1.00  0.00           H  
HETATM   84  H   UNL     1       0.747  -6.010   0.467  1.00  0.00           H  
HETATM   85  H   UNL     1       3.300  -5.677  -0.852  1.00  0.00           H  
HETATM   86  H   UNL     1       1.848  -4.653  -0.996  1.00  0.00           H  
HETATM   87  H   UNL     1       2.323   4.648   3.917  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.198  -1.672   0.003  1.00  0.00           H  
HETATM   89  H   UNL     1       5.465   4.978  -3.370  1.00  0.00           H  
CONECT    1   15   16   43   50                                       
CONECT    2   18   17   51   52                                       
CONECT    3   19   19   41   53                                       
CONECT    4    5    5    9   54                                       
CONECT    5   20    4    4   55                                       
CONECT    6   20   56   57   58                                       
CONECT    7   22    8   21   59                                       
CONECT    8    7   44   60   61                                       
CONECT    9    4   35   40   40                                       
CONECT   10   35   11   62   63                                       
CONECT   11   10   12   12   64                                       
CONECT   12   11   11   13   65                                       
CONECT   13   14   12   15   15                                       
CONECT   14   13   66   67   68                                       
CONECT   15   13   13    1   69                                       
CONECT   16   17    1   70   71                                       
CONECT   17   42   42    2   16                                       
CONECT   18   36   36   41    2                                       
CONECT   19   34    3    3   36                                       
CONECT   20    6   21    5   72                                       
CONECT   21    7   20   46   73                                       
CONECT   22    7   74   75   76                                       
CONECT   23   37   45   45   44                                       
CONECT   24   28   37   25   25                                       
CONECT   25   24   24   26   77                                       
CONECT   26   38   38   25   49                                       
CONECT   27   28   28   38   78                                       
CONECT   28   27   27   24   79                                       
CONECT   29   46   30   48   48                                       
CONECT   30   29   31   39   80                                       
CONECT   31   30   32   81   82                                       
CONECT   32   31   33   83   84                                       
CONECT   33   32   39   85   86                                       
CONECT   34   47   47   39   19                                       
CONECT   35    9   10   87                                            
CONECT   36   19   18   18                                            
CONECT   37   24   23   88                                            
CONECT   38   27   26   26                                            
CONECT   39   30   34   33                                            
CONECT   40    9    9                                                 
CONECT   41    3   18                                                 
CONECT   42   17   17                                                 
CONECT   43    1   89                                                 
CONECT   44    8   23                                                 
CONECT   45   23   23                                                 
CONECT   46   21   29                                                 
CONECT   47   34   34                                                 
CONECT   48   29   29                                                 
CONECT   49   26                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   25                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   35                                                      
CONECT   88   37                                                      
CONECT   89   43                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
