COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.289   0.006   0.512  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.326  -0.389  -0.542  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.654  -0.633   0.126  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.812   1.433  -1.142  1.00  0.00           O  
HETATM    5  C   UNL     1       1.113   2.312   0.257  1.00  0.00           C  
HETATM    6  C   UNL     1       3.320   1.551  -0.275  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.638   0.744   1.116  1.00  0.00           C  
HETATM    8  C   UNL     1       2.966   0.266   0.097  1.00  0.00           C  
HETATM    9  C   UNL     1       1.687   0.007   0.554  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.761  -0.505   1.323  1.00  0.00           O  
HETATM   11  C   UNL     1       0.760   1.029   0.629  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.719  -0.993  -0.608  1.00  0.00           O  
HETATM   13  S   UNL     1      -1.690   0.300  -0.293  1.00  0.00           S  
HETATM   14  O   UNL     1      -1.225  -0.928  -0.837  1.00  0.00           O  
HETATM   15 BR   UNL     1       4.234  -1.133  -0.014  1.00  0.00          Br  
HETATM   16  C   UNL     1       2.393   2.573  -0.195  1.00  0.00           C  
HETATM   17  H   UNL     1      -3.614   0.915   1.018  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.187  -0.799   1.240  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.428   0.416  -1.270  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.001  -1.298  -1.049  1.00  0.00           H  
HETATM   21  H   UNL     1       0.388   3.111   0.315  1.00  0.00           H  
HETATM   22  H   UNL     1       4.319   1.754  -0.632  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.614  -0.083   1.826  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.040   1.631   1.605  1.00  0.00           H  
HETATM   25  H   UNL     1       1.410  -0.996   0.845  1.00  0.00           H  
HETATM   26  H   UNL     1      -7.549  -1.138  -0.134  1.00  0.00           H  
HETATM   27  H   UNL     1       2.669   3.576  -0.486  1.00  0.00           H  
CONECT    1   13    2   17   18                                       
CONECT    2    1    3   19   20                                       
CONECT    3    2   10   10   12                                       
CONECT    4   13   13                                                 
CONECT    5   16   16   11   21                                       
CONECT    6    8    8   16   22                                       
CONECT    7   13   11   23   24                                       
CONECT    8   15    6    6    9                                       
CONECT    9    8   11   11   25                                       
CONECT   10    3    3                                                 
CONECT   11    9    9    5    7                                       
CONECT   12    3   26                                                 
CONECT   13   14   14    4    4                                       
CONECT   13    1    7                                                 
CONECT   14   13   13                                                 
CONECT   15    8                                                      
CONECT   16    6    5    5   27                                       
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    9                                                      
CONECT   26   12                                                      
CONECT   27   16                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
