COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.834  -1.491   0.315  1.00  0.00           C  
HETATM    2  C   UNL     1       4.997  -2.674  -0.424  1.00  0.00           C  
HETATM    3  C   UNL     1       6.189  -3.400  -0.260  1.00  0.00           C  
HETATM    4  C   UNL     1       3.056  -1.855  -0.936  1.00  0.00           C  
HETATM    5  N   UNL     1       7.103  -2.934   0.585  1.00  0.00           N  
HETATM    6  N   UNL     1       5.805  -1.103   1.137  1.00  0.00           N  
HETATM    7  P   UNL     1      -7.460  -1.218   0.954  1.00  0.00           P  
HETATM    8  O   UNL     1      -7.912  -2.236   2.117  1.00  0.00           O  
HETATM    9  O   UNL     1      -7.913  -1.802  -0.477  1.00  0.00           O  
HETATM   10  O   UNL     1      -8.099   0.098   1.174  1.00  0.00           O  
HETATM   11  P   UNL     1      -5.271   0.017  -0.221  1.00  0.00           P  
HETATM   12  O   UNL     1      -5.947   1.461   0.009  1.00  0.00           O  
HETATM   13  O   UNL     1      -5.670  -0.509  -1.545  1.00  0.00           O  
HETATM   14  N   UNL     1      -5.786  -1.041   0.982  1.00  0.00           N  
HETATM   15  P   UNL     1      -2.587   0.995  -1.011  1.00  0.00           P  
HETATM   16  O   UNL     1      -2.380   0.297  -2.448  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.071   2.380  -1.201  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.669   0.160  -0.160  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.185   1.020  -0.220  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.053   1.770  -0.666  1.00  0.00           C  
HETATM   21  C   UNL     1       1.107   1.573   0.312  1.00  0.00           C  
HETATM   22  O   UNL     1       1.556   0.208   0.269  1.00  0.00           O  
HETATM   23  C   UNL     1       2.297   2.461  -0.100  1.00  0.00           C  
HETATM   24  O   UNL     1       2.622   3.379   0.946  1.00  0.00           O  
HETATM   25  C   UNL     1       3.457   1.461  -0.323  1.00  0.00           C  
HETATM   26 BR   UNL     1       5.143   2.170   0.398  1.00  0.00          Br  
HETATM   27  C   UNL     1       2.984   0.228   0.487  1.00  0.00           C  
HETATM   28  N   UNL     1       3.601  -0.997  -0.028  1.00  0.00           N  
HETATM   29  N   UNL     1       3.879  -2.835  -1.171  1.00  0.00           N  
HETATM   30  N   UNL     1       6.406  -4.573  -0.961  1.00  0.00           N  
HETATM   31  C   UNL     1       6.905  -1.816   1.259  1.00  0.00           C  
HETATM   32  H   UNL     1       2.086  -1.735  -1.397  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.866  -2.385   2.159  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.531  -2.665  -0.688  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.728   1.867   0.859  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.326  -1.935   0.898  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.063  -0.615  -2.400  1.00  0.00           H  
HETATM   38  H   UNL     1       0.244   1.425  -1.656  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.313   2.827  -0.712  1.00  0.00           H  
HETATM   40  H   UNL     1       0.786   1.825   1.323  1.00  0.00           H  
HETATM   41  H   UNL     1       2.072   2.996  -1.022  1.00  0.00           H  
HETATM   42  H   UNL     1       3.400   3.923   0.764  1.00  0.00           H  
HETATM   43  H   UNL     1       3.560   1.215  -1.380  1.00  0.00           H  
HETATM   44  H   UNL     1       3.208   0.355   1.546  1.00  0.00           H  
HETATM   45  H   UNL     1       5.731  -4.903  -1.575  1.00  0.00           H  
HETATM   46  H   UNL     1       7.233  -5.065  -0.839  1.00  0.00           H  
HETATM   47  H   UNL     1       7.674  -1.473   1.935  1.00  0.00           H  
CONECT    1    6   28    2    2                                       
CONECT    2    1    1    3   29                                       
CONECT    3    5    5    2   30                                       
CONECT    4   28   29   29   32                                       
CONECT    5   31    3    3                                            
CONECT    6   31   31    1                                            
CONECT    7   10   10    9   14                                       
CONECT    7    8                                                      
CONECT    8    7   33                                                 
CONECT    9    7   34                                                 
CONECT   10    7    7                                                 
CONECT   11   13   13   18   12                                       
CONECT   11   14                                                      
CONECT   12   11   35                                                 
CONECT   13   11   11                                                 
CONECT   14   11    7   36                                            
CONECT   15   18   19   17   17                                       
CONECT   15   16                                                      
CONECT   16   15   37                                                 
CONECT   17   15   15                                                 
CONECT   18   11   15                                                 
CONECT   19   20   15                                                 
CONECT   20   21   19   38   39                                       
CONECT   21   23   22   20   40                                       
CONECT   22   21   27                                                 
CONECT   23   24   25   21   41                                       
CONECT   24   23   42                                                 
CONECT   25   26   23   27   43                                       
CONECT   26   25                                                      
CONECT   27   25   22   28   44                                       
CONECT   28   27    1    4                                            
CONECT   29    4    4    2                                            
CONECT   30    3   45   46                                            
CONECT   31    6    6    5   47                                       
CONECT   32    4                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   27                                                      
CONECT   45   30                                                      
CONECT   46   30                                                      
CONECT   47   31                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
