COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       3.394  -1.262  -0.014  1.00  0.00          Br  
HETATM    2  C   UNL     1       2.203   0.207   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.701   1.499  -0.012  1.00  0.00           C  
HETATM    4  C   UNL     1       1.839   2.579  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       0.841  -0.013   0.017  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.039   1.070   0.028  1.00  0.00           C  
HETATM    7  C   UNL     1       0.469   2.374   0.022  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.379   3.436   0.033  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.498   0.841   0.046  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.975  -0.396   0.052  1.00  0.00           C  
HETATM   11  S   UNL     1      -3.716  -0.669   0.074  1.00  0.00           S  
HETATM   12  O   UNL     1      -4.082  -1.346  -1.239  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.960  -1.622   1.099  1.00  0.00           O  
HETATM   14  O   UNL     1      -4.324   0.615   0.046  1.00  0.00           O  
HETATM   15  H   UNL     1       3.768   1.663  -0.030  1.00  0.00           H  
HETATM   16  H   UNL     1       0.456  -1.022   0.022  1.00  0.00           H  
HETATM   17  H   UNL     1       2.234   3.584  -0.011  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.176   1.682   0.054  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.639   3.741  -0.847  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.297  -1.237   0.044  1.00  0.00           H  
HETATM   21  H   UNL     1      -5.025  -1.542  -1.331  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    5    5                                       
CONECT    3    2    4    4   15                                       
CONECT    4    3    3    7   17                                       
CONECT    5    2    2    6   16                                       
CONECT    6    5    7    7    9                                       
CONECT    7    4    6    6    8                                       
CONECT    8    7   19                                                 
CONECT    9    6   10   10   18                                       
CONECT   10    9    9   11   20                                       
CONECT   11   10   12   13   13                                       
CONECT   11   14   14                                                 
CONECT   12   11   21                                                 
CONECT   13   11   11                                                 
CONECT   14   11   11                                                 
CONECT   15    3                                                      
CONECT   16    5                                                      
CONECT   17    4                                                      
CONECT   18    9                                                      
CONECT   19    8                                                      
CONECT   20   10                                                      
CONECT   21   12                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
