COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.527  -0.166   1.257  1.00  0.00           N  
HETATM    2  C   UNL     1       0.000  -1.399   1.160  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.650  -1.958   2.198  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.792  -1.280   3.355  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.245   0.021   3.470  1.00  0.00           C  
HETATM    6  C   UNL     1       0.405   0.555   2.414  1.00  0.00           C  
HETATM    7  O   UNL     1       0.119  -2.023   0.123  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.384  -1.783   4.293  1.00  0.00           O  
HETATM    9 BR   UNL     1      -0.427   0.998   5.078  1.00  0.00          Br  
HETATM   10  C   UNL     1       1.234   0.413   0.112  1.00  0.00           C  
HETATM   11  C   UNL     1       2.445  -0.464  -0.271  1.00  0.00           C  
HETATM   12  C   UNL     1       2.484  -0.397  -1.815  1.00  0.00           C  
HETATM   13  C   UNL     1       1.290   0.512  -2.183  1.00  0.00           C  
HETATM   14  O   UNL     1       3.711   0.183  -2.260  1.00  0.00           O  
HETATM   15  O   UNL     1       0.388   0.407  -1.058  1.00  0.00           O  
HETATM   16  C   UNL     1       0.609   0.016  -3.460  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.532   0.830  -3.737  1.00  0.00           O  
HETATM   18  P   UNL     1      -1.197   0.256  -5.086  1.00  0.00           P  
HETATM   19  O   UNL     1      -1.595  -1.154  -4.878  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.496   1.131  -5.459  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.129   0.340  -6.289  1.00  0.00           O  
HETATM   22  H   UNL     1      -1.021  -2.850   2.112  1.00  0.00           H  
HETATM   23  H   UNL     1       0.829   1.546   2.483  1.00  0.00           H  
HETATM   24  H   UNL     1       1.558   1.428   0.341  1.00  0.00           H  
HETATM   25  H   UNL     1       2.294  -1.491   0.061  1.00  0.00           H  
HETATM   26  H   UNL     1       3.363  -0.056   0.151  1.00  0.00           H  
HETATM   27  H   UNL     1       2.354  -1.390  -2.244  1.00  0.00           H  
HETATM   28  H   UNL     1       1.624   1.542  -2.307  1.00  0.00           H  
HETATM   29  H   UNL     1       4.420  -0.410  -1.977  1.00  0.00           H  
HETATM   30  H   UNL     1       1.309   0.077  -4.293  1.00  0.00           H  
HETATM   31  H   UNL     1       0.293  -1.017  -3.326  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.862   0.754  -6.271  1.00  0.00           H  
HETATM   33  H   UNL     1       0.102   1.273  -6.391  1.00  0.00           H  
CONECT    1    2    6   10                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4   22                                            
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    6    9                                       
CONECT    6    1    5    5   23                                       
CONECT    7    2    2                                                 
CONECT    8    4    4                                                 
CONECT    9    5                                                      
CONECT   10    1   11   15   24                                       
CONECT   11   10   12   25   26                                       
CONECT   12   11   13   14   27                                       
CONECT   13   12   15   16   28                                       
CONECT   14   12   29                                                 
CONECT   15   10   13                                                 
CONECT   16   13   17   30   31                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   32                                                 
CONECT   21   18   33                                                 
CONECT   22    3                                                      
CONECT   23    6                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   14                                                      
CONECT   30   16                                                      
CONECT   31   16                                                      
CONECT   32   20                                                      
CONECT   33   21                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
