COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.748   0.816   0.019  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.271   0.748   0.131  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.201  -0.496  -0.166  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.119  -1.366  -0.169  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.566  -0.727  -0.307  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.455   0.328  -0.269  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.002   1.625  -0.091  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.652   1.873   0.050  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.942  -0.688   0.004  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.671  -1.246   0.051  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.325  -2.668   0.163  1.00  0.00           C  
HETATM   12  N   UNL     1       1.015  -2.770   0.174  1.00  0.00           N  
HETATM   13  C   UNL     1       1.618  -1.522   0.078  1.00  0.00           C  
HETATM   14  C   UNL     1       0.625  -0.537  -0.008  1.00  0.00           C  
HETATM   15  C   UNL     1       2.955  -1.139   0.051  1.00  0.00           C  
HETATM   16  C   UNL     1       3.290   0.196  -0.053  1.00  0.00           C  
HETATM   17  C   UNL     1       2.305   1.168  -0.132  1.00  0.00           C  
HETATM   18  C   UNL     1       0.974   0.807  -0.107  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.114  -3.593   0.232  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.442   1.741   0.309  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.934   3.065   0.410  1.00  0.00           O  
HETATM   22 BR   UNL     1       5.112   0.704  -0.089  1.00  0.00          Br  
HETATM   23  H   UNL     1      -3.187  -2.328  -0.279  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.931  -1.733  -0.446  1.00  0.00           H  
HETATM   25  H   UNL     1      -7.513   0.141  -0.378  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.706   2.443  -0.063  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.298   2.884   0.189  1.00  0.00           H  
HETATM   28  H   UNL     1       1.499  -3.608   0.241  1.00  0.00           H  
HETATM   29  H   UNL     1       3.731  -1.887   0.111  1.00  0.00           H  
HETATM   30  H   UNL     1       2.580   2.209  -0.213  1.00  0.00           H  
HETATM   31  H   UNL     1       0.205   1.564  -0.168  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.166   3.639   0.537  1.00  0.00           H  
CONECT    1    2    3    3    8                                       
CONECT    2    1    9   20   20                                       
CONECT    3    1    1    4    5                                       
CONECT    4    3    9   23                                            
CONECT    5    3    6    6   24                                       
CONECT    6    5    5    7   25                                       
CONECT    7    6    8    8   26                                       
CONECT    8    1    7    7   27                                       
CONECT    9    2    4   10   10                                       
CONECT   10    9    9   11   14                                       
CONECT   11   10   12   19   19                                       
CONECT   12   11   13   28                                            
CONECT   13   12   14   14   15                                       
CONECT   14   10   13   13   18                                       
CONECT   15   13   16   16   29                                       
CONECT   16   15   15   17   22                                       
CONECT   17   16   18   18   30                                       
CONECT   18   14   17   17   31                                       
CONECT   19   11   11                                                 
CONECT   20    2    2   21                                            
CONECT   21   20   32                                                 
CONECT   22   16                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28   12                                                      
CONECT   29   15                                                      
CONECT   30   17                                                      
CONECT   31   18                                                      
CONECT   32   21                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
