COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.380  -0.436  -0.249  1.00  0.00           C  
HETATM    2  C   UNL     1       7.889  -0.364  -0.226  1.00  0.00           C  
HETATM    3  C   UNL     1       5.882   0.807   0.284  1.00  0.00           C  
HETATM    4  C   UNL     1       5.291   2.064   0.175  1.00  0.00           C  
HETATM    5  C   UNL     1       1.206  -0.171   0.188  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.159  -0.399   0.156  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.458   0.396   0.019  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.444   1.356  -0.089  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.671   0.687  -0.089  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.080  -0.832   0.084  1.00  0.00           N  
HETATM   11  C   UNL     1       3.703  -0.207   0.278  1.00  0.00           C  
HETATM   12  O   UNL     1      10.038   0.453   0.247  1.00  0.00           O  
HETATM   13  O   UNL     1       9.993  -1.492  -0.816  1.00  0.00           O  
HETATM   14  O   UNL     1       7.230  -1.254  -0.723  1.00  0.00           O  
HETATM   15  N   UNL     1       7.274   0.690   0.346  1.00  0.00           N  
HETATM   16  C   UNL     1       3.937   2.191   0.118  1.00  0.00           C  
HETATM   17  C   UNL     1       3.104   1.053   0.169  1.00  0.00           C  
HETATM   18  N   UNL     1       1.758   0.991   0.126  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.014   0.638   0.053  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.586   1.775  -0.012  1.00  0.00           O  
HETATM   21 BR   UNL     1      -6.377   1.493  -0.214  1.00  0.00          Br  
HETATM   22  C   UNL     1      -4.421  -0.642   0.018  1.00  0.00           C  
HETATM   23 BR   UNL     1      -5.729  -2.007   0.064  1.00  0.00          Br  
HETATM   24  S   UNL     1       2.431  -1.425   0.319  1.00  0.00           S  
HETATM   25  C   UNL     1       5.088  -0.326   0.335  1.00  0.00           C  
HETATM   26  H   UNL     1       5.913   2.946   0.135  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.500  -1.306   0.208  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.294   2.423  -0.160  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.633  -1.689   0.159  1.00  0.00           H  
HETATM   30  H   UNL     1      10.960  -1.496  -0.803  1.00  0.00           H  
HETATM   31  H   UNL     1       7.798   1.368   0.802  1.00  0.00           H  
HETATM   32  H   UNL     1       3.496   3.173   0.034  1.00  0.00           H  
HETATM   33  H   UNL     1       5.543  -1.301   0.424  1.00  0.00           H  
CONECT    1    2   12   12   13                                       
CONECT    2   15   14   14    1                                       
CONECT    3    4    4   25   15                                       
CONECT    4   16    3    3   26                                       
CONECT    5    6   18   18   24                                       
CONECT    6   19    5   27                                            
CONECT    7    8    8   10   19                                       
CONECT    8    9    7    7   28                                       
CONECT    9   21    8   22   22                                       
CONECT   10   22    7   29                                            
CONECT   11   17   24   25   25                                       
CONECT   12    1    1                                                 
CONECT   13    1   30                                                 
CONECT   14    2    2                                                 
CONECT   15    3    2   31                                            
CONECT   16   17   17    4   32                                       
CONECT   17   18   16   16   11                                       
CONECT   18    5    5   17                                            
CONECT   19    7    6   20   20                                       
CONECT   20   19   19                                                 
CONECT   21    9                                                      
CONECT   22    9    9   23   10                                       
CONECT   23   22                                                      
CONECT   24    5   11                                                 
CONECT   25   11   11    3   33                                       
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   13                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   25                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
