COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.924   0.859  -1.655  1.00  0.00           C  
HETATM    2  C   UNL     1       2.802  -0.184  -1.436  1.00  0.00           C  
HETATM    3  C   UNL     1       3.306  -0.411  -0.168  1.00  0.00           C  
HETATM    4  S   UNL     1       4.426  -1.743   0.107  1.00  0.00           S  
HETATM    5  O   UNL     1       4.329  -2.070   1.487  1.00  0.00           O  
HETATM    6  O   UNL     1       4.195  -2.684  -0.933  1.00  0.00           O  
HETATM    7  N   UNL     1       5.955  -1.153  -0.127  1.00  0.00           N  
HETATM    8  C   UNL     1       2.932   0.405   0.884  1.00  0.00           C  
HETATM    9  C   UNL     1       2.053   1.449   0.672  1.00  0.00           C  
HETATM   10  C   UNL     1       1.551   1.684  -0.602  1.00  0.00           C  
HETATM   11  N   UNL     1       0.663   2.740  -0.820  1.00  0.00           N  
HETATM   12  S   UNL     1      -0.604   2.984   0.219  1.00  0.00           S  
HETATM   13  O   UNL     1      -0.049   3.024   1.526  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.375   4.044  -0.331  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.618   1.545   0.152  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.450   0.538   1.084  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.246  -0.591   1.033  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.211  -0.713   0.049  1.00  0.00           C  
HETATM   19 BR   UNL     1      -4.300  -2.257  -0.021  1.00  0.00          Br  
HETATM   20  C   UNL     1      -3.378   0.295  -0.883  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.586   1.426  -0.828  1.00  0.00           C  
HETATM   22  H   UNL     1       1.532   1.036  -2.646  1.00  0.00           H  
HETATM   23  H   UNL     1       3.096  -0.823  -2.255  1.00  0.00           H  
HETATM   24  H   UNL     1       6.702  -1.533   0.362  1.00  0.00           H  
HETATM   25  H   UNL     1       6.105  -0.428  -0.753  1.00  0.00           H  
HETATM   26  H   UNL     1       3.327   0.225   1.873  1.00  0.00           H  
HETATM   27  H   UNL     1       1.762   2.086   1.494  1.00  0.00           H  
HETATM   28  H   UNL     1       0.788   3.329  -1.580  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.697   0.633   1.852  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.115  -1.378   1.761  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.134   0.202  -1.649  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.716   2.213  -1.556  1.00  0.00           H  
CONECT    1   10   10    2   22                                       
CONECT    2    1    3    3   23                                       
CONECT    3    2    2    8    4                                       
CONECT    4    3    7    6    6                                       
CONECT    4    5    5                                                 
CONECT    5    4    4                                                 
CONECT    6    4    4                                                 
CONECT    7    4   24   25                                            
CONECT    8    9    9    3   26                                       
CONECT    9   10    8    8   27                                       
CONECT   10   11    1    1    9                                       
CONECT   11   12   10   28                                            
CONECT   12   14   14   15   11                                       
CONECT   12   13   13                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   21   12   16   16                                       
CONECT   16   15   15   17   29                                       
CONECT   17   18   18   16   30                                       
CONECT   18   20   19   17   17                                       
CONECT   19   18                                                      
CONECT   20   21   21   18   31                                       
CONECT   21   20   20   15   32                                       
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   20                                                      
CONECT   32   21                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
