COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.890   2.520   1.104  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.595   1.753  -0.715  1.00  0.00           O  
HETATM    3  O   UNL     1      -2.640  -2.220   0.527  1.00  0.00           O  
HETATM    4  O   UNL     1      -2.849  -0.809  -1.525  1.00  0.00           O  
HETATM    5 BR   UNL     1       3.834   0.279   0.064  1.00  0.00          Br  
HETATM    6  C   UNL     1       1.203   0.447  -1.011  1.00  0.00           C  
HETATM    7  C   UNL     1       1.405  -0.914   0.950  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.150   0.168  -1.065  1.00  0.00           C  
HETATM    9  C   UNL     1       0.052  -1.188   0.899  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.222   0.171   0.709  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.189   1.455   0.300  1.00  0.00           C  
HETATM   12  C   UNL     1       1.982  -0.096  -0.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.725  -0.649  -0.110  1.00  0.00           C  
HETATM   14  S   UNL     1      -2.451  -0.999  -0.174  1.00  0.00           S  
HETATM   15  H   UNL     1      -3.754   3.488   0.621  1.00  0.00           H  
HETATM   16  H   UNL     1      -4.954   2.289   1.163  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.469   2.553   2.109  1.00  0.00           H  
HETATM   18  H   UNL     1       1.653   1.086  -1.757  1.00  0.00           H  
HETATM   19  H   UNL     1       2.013  -1.339   1.735  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.757   0.589  -1.852  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.399  -1.827   1.644  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.696  -0.068   1.520  1.00  0.00           H  
CONECT    1   11   15   16   17                                       
CONECT    2   11   11                                                 
CONECT    3   14   14                                                 
CONECT    4   14   14                                                 
CONECT    5   12                                                      
CONECT    6   12   12    8   18                                       
CONECT    7    9    9   12   19                                       
CONECT    8    6   13   13   20                                       
CONECT    9    7    7   13   21                                       
CONECT   10   11   14   22                                            
CONECT   11    1    2    2   10                                       
CONECT   12    5    6    6    7                                       
CONECT   13    8    8    9   14                                       
CONECT   14    3    3    4    4                                       
CONECT   14   10   13                                                 
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    6                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
