COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.643   1.197  -0.046  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.739   1.198  -0.022  1.00  0.00           C  
HETATM    3  N   UNL     1       3.619   0.003   1.475  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.431   0.000  -0.010  1.00  0.00           C  
HETATM    5  O   UNL     1       3.485  -1.251  -0.646  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.739  -1.198  -0.022  1.00  0.00           C  
HETATM    7  C   UNL     1       0.643  -1.197  -0.046  1.00  0.00           C  
HETATM    8  C   UNL     1       1.334   0.000  -0.058  1.00  0.00           C  
HETATM    9  O   UNL     1       3.485   1.248  -0.651  1.00  0.00           O  
HETATM   10  S   UNL     1       3.095   0.000  -0.095  1.00  0.00           S  
HETATM   11 BR   UNL     1      -3.322   0.000   0.023  1.00  0.00          Br  
HETATM   12  H   UNL     1       1.183   2.132  -0.060  1.00  0.00           H  
HETATM   13  H   UNL     1      -1.279   2.133  -0.013  1.00  0.00           H  
HETATM   14  H   UNL     1       4.569   0.004   1.670  1.00  0.00           H  
HETATM   15  H   UNL     1       2.975   0.005   2.201  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.279  -2.133  -0.013  1.00  0.00           H  
HETATM   17  H   UNL     1       1.183  -2.133  -0.056  1.00  0.00           H  
CONECT    1    8    2    2   12                                       
CONECT    2    1    1    4   13                                       
CONECT    3   10   14   15                                            
CONECT    4   11    6    6    2                                       
CONECT    5   10   10                                                 
CONECT    6    4    4    7   16                                       
CONECT    7    6    8    8   17                                       
CONECT    8    7    7   10    1                                       
CONECT    9   10   10                                                 
CONECT   10    8    3    5    5                                       
CONECT   10    9    9                                                 
CONECT   11    4                                                      
CONECT   12    1                                                      
CONECT   13    2                                                      
CONECT   14    3                                                      
CONECT   15    3                                                      
CONECT   16    6                                                      
CONECT   17    7                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
