COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.332  -0.797  -2.126  1.00  0.00           O  
HETATM    2  N   UNL     1      -2.981   0.732  -2.362  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.793   0.727  -2.588  1.00  0.00           O  
HETATM    4  C   UNL     1       0.897  -0.485  -1.100  1.00  0.00           C  
HETATM    5  C   UNL     1       1.021   0.967  -0.719  1.00  0.00           C  
HETATM    6  C   UNL     1       0.355   1.834  -1.789  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.051   2.158  -0.991  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.281   1.570  -1.400  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.629   1.848  -0.848  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.784   2.779   0.179  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.036   3.037   0.691  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.149   2.368   0.183  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.995   1.438  -0.844  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.743   1.184  -1.360  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.130   1.577  -1.792  1.00  0.00           C  
HETATM   16 CL   UNL     1     -12.254   1.412   0.118  1.00  0.00          Cl  
HETATM   17  C   UNL     1     -10.865   2.242   0.747  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.612   1.979   0.229  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.015   3.170   1.763  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.913   3.834   2.269  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.655   3.575   1.762  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.498   2.646   0.735  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   1.341  -0.608  1.00  0.00           C  
HETATM   24  P   UNL     1       2.664   2.912   0.303  1.00  0.00           P  
HETATM   25  O   UNL     1       1.966   4.095  -0.538  1.00  0.00           O  
HETATM   26  O   UNL     1       2.005   2.788   1.622  1.00  0.00           O  
HETATM   27  C   UNL     1       4.422   3.294   0.539  1.00  0.00           C  
HETATM   28  C   UNL     1       5.082   2.840   1.665  1.00  0.00           C  
HETATM   29  C   UNL     1       6.422   3.130   1.845  1.00  0.00           C  
HETATM   30  C   UNL     1       7.101   3.875   0.898  1.00  0.00           C  
HETATM   31 BR   UNL     1       8.933   4.273   1.143  1.00  0.00          Br  
HETATM   32  C   UNL     1       6.439   4.330  -0.229  1.00  0.00           C  
HETATM   33  C   UNL     1       5.101   4.034  -0.410  1.00  0.00           C  
HETATM   34  N   UNL     1       1.414  -1.438  -0.299  1.00  0.00           N  
HETATM   35  C   UNL     1       1.294  -2.851  -0.670  1.00  0.00           C  
HETATM   36  C   UNL     1       1.364  -3.703   0.571  1.00  0.00           C  
HETATM   37  O   UNL     1       1.501  -3.182   1.658  1.00  0.00           O  
HETATM   38  C   UNL     1       2.437  -3.230  -1.614  1.00  0.00           C  
HETATM   39  C   UNL     1       2.294  -2.454  -2.925  1.00  0.00           C  
HETATM   40  C   UNL     1       3.419  -2.827  -3.855  1.00  0.00           C  
HETATM   41  O   UNL     1       4.250  -3.631  -3.505  1.00  0.00           O  
HETATM   42  O   UNL     1       3.498  -2.266  -5.072  1.00  0.00           O  
HETATM   43  N   UNL     1       1.274  -5.044   0.473  1.00  0.00           N  
HETATM   44  C   UNL     1       1.342  -5.873   1.679  1.00  0.00           C  
HETATM   45  C   UNL     1       2.784  -6.140   2.025  1.00  0.00           C  
HETATM   46  O   UNL     1       3.668  -5.682   1.332  1.00  0.00           O  
HETATM   47  C   UNL     1       0.624  -7.201   1.427  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.866  -6.939   1.198  1.00  0.00           C  
HETATM   49  C   UNL     1      -1.573  -8.247   0.950  1.00  0.00           C  
HETATM   50  O   UNL     1      -0.949  -9.282   0.955  1.00  0.00           O  
HETATM   51  O   UNL     1      -2.896  -8.262   0.723  1.00  0.00           O  
HETATM   52  N   UNL     1       3.092  -6.886   3.104  1.00  0.00           N  
HETATM   53  H   UNL     1       0.531   1.135   0.241  1.00  0.00           H  
HETATM   54  H   UNL     1       0.541   2.886  -1.572  1.00  0.00           H  
HETATM   55  H   UNL     1       0.768   1.586  -2.767  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.891   2.898  -0.220  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.922   3.297   0.572  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.156   3.758   1.487  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.857   0.920  -1.238  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.624   0.466  -2.159  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.496   1.258  -0.567  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.997   3.376   2.163  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.036   4.558   3.061  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.795   4.095   2.158  1.00  0.00           H  
HETATM   65  H   UNL     1       3.035   0.555  -0.075  1.00  0.00           H  
HETATM   66  H   UNL     1       2.923   1.454  -1.606  1.00  0.00           H  
HETATM   67  H   UNL     1       2.356   4.240  -1.411  1.00  0.00           H  
HETATM   68  H   UNL     1       4.552   2.258   2.404  1.00  0.00           H  
HETATM   69  H   UNL     1       6.938   2.776   2.725  1.00  0.00           H  
HETATM   70  H   UNL     1       6.969   4.912  -0.968  1.00  0.00           H  
HETATM   71  H   UNL     1       4.585   4.389  -1.290  1.00  0.00           H  
HETATM   72  H   UNL     1       1.867  -1.189   0.522  1.00  0.00           H  
HETATM   73  H   UNL     1       0.339  -3.015  -1.170  1.00  0.00           H  
HETATM   74  H   UNL     1       3.390  -2.983  -1.148  1.00  0.00           H  
HETATM   75  H   UNL     1       2.399  -4.299  -1.819  1.00  0.00           H  
HETATM   76  H   UNL     1       1.340  -2.701  -3.391  1.00  0.00           H  
HETATM   77  H   UNL     1       2.331  -1.384  -2.720  1.00  0.00           H  
HETATM   78  H   UNL     1       4.238  -2.537  -5.633  1.00  0.00           H  
HETATM   79  H   UNL     1       1.164  -5.461  -0.396  1.00  0.00           H  
HETATM   80  H   UNL     1       0.860  -5.351   2.506  1.00  0.00           H  
HETATM   81  H   UNL     1       1.048  -7.681   0.545  1.00  0.00           H  
HETATM   82  H   UNL     1       0.751  -7.852   2.292  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.290  -6.459   2.080  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.993  -6.288   0.334  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.305  -9.125   0.569  1.00  0.00           H  
HETATM   86  H   UNL     1       2.384  -7.252   3.658  1.00  0.00           H  
HETATM   87  H   UNL     1       4.020  -7.058   3.327  1.00  0.00           H  
CONECT    1    4    4                                                 
CONECT    2    3    8    8                                            
CONECT    3   15    2                                                 
CONECT    4    5   34    1    1                                       
CONECT    5   23    6    4   53                                       
CONECT    6    5   15   54   55                                       
CONECT    7   15   15    8   56                                       
CONECT    8    7    2    2    9                                       
CONECT    9   10    8   14   14                                       
CONECT   10   11   11    9   57                                       
CONECT   11   10   10   12   58                                       
CONECT   12   11   22   13   13                                       
CONECT   13   12   12   14   59                                       
CONECT   14    9    9   13   60                                       
CONECT   15    6    7    7    3                                       
CONECT   16   17                                                      
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   22   61                                       
CONECT   19   17   20   20   62                                       
CONECT   20   19   19   21   63                                       
CONECT   21   22   22   20   64                                       
CONECT   22   18   12   21   21                                       
CONECT   23   24    5   65   66                                       
CONECT   24   27   26   26   25                                       
CONECT   24   23                                                      
CONECT   25   24   67                                                 
CONECT   26   24   24                                                 
CONECT   27   28   28   33   24                                       
CONECT   28   29   27   27   68                                       
CONECT   29   30   30   28   69                                       
CONECT   30   31   29   29   32                                       
CONECT   31   30                                                      
CONECT   32   30   33   33   70                                       
CONECT   33   32   32   27   71                                       
CONECT   34    4   35   72                                            
CONECT   35   34   38   36   73                                       
CONECT   36   35   37   37   43                                       
CONECT   37   36   36                                                 
CONECT   38   39   35   74   75                                       
CONECT   39   40   38   76   77                                       
CONECT   40   41   41   42   39                                       
CONECT   41   40   40                                                 
CONECT   42   40   78                                                 
CONECT   43   36   44   79                                            
CONECT   44   43   45   47   80                                       
CONECT   45   52   44   46   46                                       
CONECT   46   45   45                                                 
CONECT   47   44   48   81   82                                       
CONECT   48   47   49   83   84                                       
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   85                                                 
CONECT   52   45   86   87                                            
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   47                                                      
CONECT   82   47                                                      
CONECT   83   48                                                      
CONECT   84   48                                                      
CONECT   85   51                                                      
CONECT   86   52                                                      
CONECT   87   52                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
