COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.865  -2.414  -0.748  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.387  -1.671  -1.730  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.339  -0.889  -1.579  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.711  -0.817  -0.410  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.180  -1.589   0.667  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.302  -2.408   0.456  1.00  0.00           C  
HETATM    7  N   UNL     1      -8.810  -3.190   1.478  1.00  0.00           N  
HETATM    8  N   UNL     1      -6.373  -1.332   1.724  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.460  -0.474   1.373  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.626  -0.125   0.066  1.00  0.00           N  
HETATM   11  P   UNL     1       0.676   2.028   1.015  1.00  0.00           P  
HETATM   12  P   UNL     1       3.374   0.847   0.676  1.00  0.00           P  
HETATM   13  P   UNL     1       5.773  -0.783   0.004  1.00  0.00           P  
HETATM   14  C   UNL     1      -4.798   0.816  -0.692  1.00  0.00           C  
HETATM   15  O   UNL     1       0.403   1.808   2.586  1.00  0.00           O  
HETATM   16  O   UNL     1       3.713   0.754   2.114  1.00  0.00           O  
HETATM   17  O   UNL     1       6.141  -0.885   1.568  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.389   2.241  -0.607  1.00  0.00           C  
HETATM   19  O   UNL     1       1.174   3.403   0.788  1.00  0.00           O  
HETATM   20  O   UNL     1       4.080   2.148   0.042  1.00  0.00           O  
HETATM   21  O   UNL     1       6.294  -2.102  -0.757  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.148   3.158  -0.529  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.110   4.047  -1.647  1.00  0.00           O  
HETATM   24  O   UNL     1       1.777   0.968   0.508  1.00  0.00           O  
HETATM   25  C   UNL     1       3.965  -0.646  -0.186  1.00  0.00           C  
HETATM   26 BR   UNL     1       3.102  -2.234   0.589  1.00  0.00          Br  
HETATM   27 BR   UNL     1       3.514  -0.522  -2.096  1.00  0.00          Br  
HETATM   28  O   UNL     1       6.422   0.412  -0.579  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.954   2.179  -0.575  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.486   0.925  -0.097  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.830   2.665   0.342  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.693   1.811   0.197  1.00  0.00           O  
HETATM   33  H   UNL     1      -8.875  -1.706  -2.693  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.585  -3.752   1.321  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.391  -3.177   2.353  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.685  -0.093   2.023  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.718   0.498  -1.731  1.00  0.00           H  
HETATM   38  H   UNL     1       0.074   0.926   2.809  1.00  0.00           H  
HETATM   39  H   UNL     1       5.749  -1.647   2.016  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.974   2.466  -1.499  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.000   2.348   0.289  1.00  0.00           H  
HETATM   42  H   UNL     1       3.901   2.272  -0.900  1.00  0.00           H  
HETATM   43  H   UNL     1       7.250  -2.239  -0.697  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.146   3.719   0.406  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.869   4.644  -1.701  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.589   2.073  -1.597  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.556   3.685   0.072  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.171   2.643   1.377  1.00  0.00           H  
CONECT    1    2    6    6                                            
CONECT    2    3    3    1   33                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    6    8                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6   34   35                                            
CONECT    8    5    9    9                                            
CONECT    9   10    8    8   36                                       
CONECT   10    4   14    9                                            
CONECT   11   32   24   19   19                                       
CONECT   11   15                                                      
CONECT   12   16   16   24   20                                       
CONECT   12   25                                                      
CONECT   13   25   28   28   17                                       
CONECT   13   21                                                      
CONECT   14   18   10   30   37                                       
CONECT   15   11   38                                                 
CONECT   16   12   12                                                 
CONECT   17   13   39                                                 
CONECT   18   14   22   40   41                                       
CONECT   19   11   11                                                 
CONECT   20   12   42                                                 
CONECT   21   13   43                                                 
CONECT   22   18   23   29   44                                       
CONECT   23   22   45                                                 
CONECT   24   12   11                                                 
CONECT   25   12   26   27   13                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   13   13                                                 
CONECT   29   22   30   31   46                                       
CONECT   30   14   29                                                 
CONECT   31   29   32   47   48                                       
CONECT   32   31   11                                                 
CONECT   33    2                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   29                                                      
CONECT   47   31                                                      
CONECT   48   31                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
