COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.919   0.746   1.564  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.564  -0.505   1.794  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.403  -0.995   1.415  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.520  -0.234   0.771  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.856   1.106   0.504  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.106   1.584   0.927  1.00  0.00           C  
HETATM    7 BR   UNL     1      -5.553   3.457  -0.832  1.00  0.00          Br  
HETATM    8  C   UNL     1      12.856   0.801   0.796  1.00  0.00           C  
HETATM    9  C   UNL     1      11.930   2.710  -0.524  1.00  0.00           C  
HETATM   10  C   UNL     1      12.219   0.472  -1.597  1.00  0.00           C  
HETATM   11  N   UNL     1      -8.482   2.894   0.689  1.00  0.00           N  
HETATM   12  O   UNL     1       6.051  -0.772  -0.781  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.754  -4.750  -1.082  1.00  0.00           O  
HETATM   14  O   UNL     1      -5.920  -3.585  -0.425  1.00  0.00           O  
HETATM   15  C   UNL     1       8.118   0.726  -0.322  1.00  0.00           C  
HETATM   16  C   UNL     1       8.986  -0.142   1.745  1.00  0.00           C  
HETATM   17  C   UNL     1       9.397   1.076  -0.708  1.00  0.00           C  
HETATM   18  C   UNL     1      10.264   0.201   1.349  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.796   0.706  -0.316  1.00  0.00           C  
HETATM   20  C   UNL     1       2.097  -1.503   0.410  1.00  0.00           C  
HETATM   21  C   UNL     1       1.075  -1.949  -0.637  1.00  0.00           C  
HETATM   22  C   UNL     1       3.458  -1.301  -0.260  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.241  -2.573  -0.971  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.232  -2.144   0.006  1.00  0.00           N  
HETATM   25  N   UNL     1       4.437  -0.874   0.742  1.00  0.00           N  
HETATM   26  N   UNL     1       6.614  -0.242   1.301  1.00  0.00           N  
HETATM   27  O   UNL     1      -3.123  -1.489   0.146  1.00  0.00           O  
HETATM   28  C   UNL     1       5.713  -0.634   0.379  1.00  0.00           C  
HETATM   29  C   UNL     1       7.908   0.115   0.907  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.713   1.681  -0.202  1.00  0.00           C  
HETATM   31  C   UNL     1      10.469   0.814   0.126  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.632  -3.336  -1.247  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.946  -2.629  -0.849  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.585  -2.765  -0.265  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.538  -1.714   0.327  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.268  -0.445   0.262  1.00  0.00           N  
HETATM   37  C   UNL     1      11.863   1.198  -0.298  1.00  0.00           C  
HETATM   38  H   UNL     1      -9.254  -1.152   2.314  1.00  0.00           H  
HETATM   39  H   UNL     1      12.603   1.318   1.722  1.00  0.00           H  
HETATM   40  H   UNL     1      12.809  -0.276   0.957  1.00  0.00           H  
HETATM   41  H   UNL     1      13.865   1.079   0.489  1.00  0.00           H  
HETATM   42  H   UNL     1      11.677   3.227   0.402  1.00  0.00           H  
HETATM   43  H   UNL     1      12.938   2.987  -0.830  1.00  0.00           H  
HETATM   44  H   UNL     1      11.222   2.992  -1.303  1.00  0.00           H  
HETATM   45  H   UNL     1      13.227   0.750  -1.904  1.00  0.00           H  
HETATM   46  H   UNL     1      12.171  -0.605  -1.436  1.00  0.00           H  
HETATM   47  H   UNL     1      11.511   0.755  -2.376  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.349   3.211   0.987  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.879   3.494   0.223  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.398  -5.161  -1.674  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.168  -4.223  -1.108  1.00  0.00           H  
HETATM   52  H   UNL     1       7.282   0.930  -0.974  1.00  0.00           H  
HETATM   53  H   UNL     1       8.826  -0.621   2.700  1.00  0.00           H  
HETATM   54  H   UNL     1       9.561   1.555  -1.662  1.00  0.00           H  
HETATM   55  H   UNL     1      11.104  -0.010   1.994  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.832   0.812  -0.792  1.00  0.00           H  
HETATM   57  H   UNL     1       1.771  -0.566   0.860  1.00  0.00           H  
HETATM   58  H   UNL     1       2.183  -2.267   1.183  1.00  0.00           H  
HETATM   59  H   UNL     1       0.989  -1.186  -1.410  1.00  0.00           H  
HETATM   60  H   UNL     1       1.401  -2.887  -1.087  1.00  0.00           H  
HETATM   61  H   UNL     1       3.784  -2.239  -0.710  1.00  0.00           H  
HETATM   62  H   UNL     1       3.372  -0.537  -1.033  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.343  -1.814  -1.746  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.931  -3.515  -1.424  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.165  -2.800   0.769  1.00  0.00           H  
HETATM   66  H   UNL     1       4.168  -0.764   1.668  1.00  0.00           H  
HETATM   67  H   UNL     1       6.365  -0.206   2.238  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.362  -3.095  -2.276  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.329  -2.038  -1.681  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.472  -3.424   0.595  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.725  -2.212   1.278  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   38                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   36                                       
CONECT    5    4    6    6   30                                       
CONECT    6    1    5    5   11                                       
CONECT    7   30                                                      
CONECT    8   37   39   40   41                                       
CONECT    9   37   42   43   44                                       
CONECT   10   37   45   46   47                                       
CONECT   11    6   48   49                                            
CONECT   12   28   28                                                 
CONECT   13   32   50                                                 
CONECT   14   33   51                                                 
CONECT   15   29   29   17   52                                       
CONECT   16   29   18   18   53                                       
CONECT   17   15   31   31   54                                       
CONECT   18   16   16   31   55                                       
CONECT   19   30   30   36   56                                       
CONECT   20   21   22   57   58                                       
CONECT   21   20   24   59   60                                       
CONECT   22   20   25   61   62                                       
CONECT   23   34   24   63   64                                       
CONECT   24   21   23   65                                            
CONECT   25   22   28   66                                            
CONECT   26   28   29   67                                            
CONECT   27   35   34                                                 
CONECT   28   12   12   25   26                                       
CONECT   29   15   15   16   26                                       
CONECT   30    5    7   19   19                                       
CONECT   31   17   17   18   37                                       
CONECT   32   13   33   34   68                                       
CONECT   33   14   32   35   69                                       
CONECT   34   23   27   32   70                                       
CONECT   35   27   33   36   71                                       
CONECT   36    4   19   35                                            
CONECT   37    8    9   10   31                                       
CONECT   38    2                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
