COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.661   0.724   0.993  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.672  -0.689  -1.079  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.130   1.103  -0.366  1.00  0.00           C  
HETATM    4  C   UNL     1       0.868  -1.670   0.679  1.00  0.00           C  
HETATM    5  C   UNL     1       0.680  -0.302   0.617  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.680   0.284   0.900  1.00  0.00           C  
HETATM    7  C   UNL     1       2.119  -2.210   0.425  1.00  0.00           C  
HETATM    8  C   UNL     1       1.167  -4.354   0.817  1.00  0.00           C  
HETATM    9  C   UNL     1       1.567  -5.830   0.837  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.421   0.515  -0.419  1.00  0.00           C  
HETATM   11 BR   UNL     1       1.472   2.401   0.211  1.00  0.00          Br  
HETATM   12 BR   UNL     1       4.429   1.139  -0.405  1.00  0.00          Br  
HETATM   13  N   UNL     1      -3.795   0.529  -0.546  1.00  0.00           N  
HETATM   14  S   UNL     1      -1.943  -1.073  -1.152  1.00  0.00           S  
HETATM   15  O   UNL     1       2.305  -3.556   0.485  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.734   1.226  -0.177  1.00  0.00           C  
HETATM   17  C   UNL     1       1.736   0.531   0.295  1.00  0.00           C  
HETATM   18  C   UNL     1       2.987  -0.003   0.034  1.00  0.00           C  
HETATM   19  C   UNL     1       3.184  -1.372   0.107  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.990   0.048   1.737  1.00  0.00           O  
HETATM   21  S   UNL     1      -4.954  -1.701  -1.593  1.00  0.00           S  
HETATM   22  O   UNL     1      -6.877   1.142   1.379  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.806   2.334   0.311  1.00  0.00           O  
HETATM   24  O   UNL     1       4.413  -1.898  -0.143  1.00  0.00           O  
HETATM   25  H   UNL     1      -5.798   0.718  -1.137  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.073   2.188  -0.444  1.00  0.00           H  
HETATM   27  H   UNL     1       0.042  -2.318   0.930  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.250  -0.407   1.521  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.564   1.233   1.423  1.00  0.00           H  
HETATM   30  H   UNL     1       0.385  -4.200   0.073  1.00  0.00           H  
HETATM   31  H   UNL     1       0.795  -4.065   1.800  1.00  0.00           H  
HETATM   32  H   UNL     1       1.940  -6.119  -0.146  1.00  0.00           H  
HETATM   33  H   UNL     1       2.349  -5.985   1.581  1.00  0.00           H  
HETATM   34  H   UNL     1       0.700  -6.439   1.090  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.799   1.078  -1.115  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.174   0.874   2.259  1.00  0.00           H  
HETATM   37  H   UNL     1       4.565  -2.117  -1.072  1.00  0.00           H  
CONECT    1   20   20    3   22                                       
CONECT    2   21   21   14   13                                       
CONECT    3    1   13   25   26                                       
CONECT    4    7    7    5   27                                       
CONECT    5    4    6   17   17                                       
CONECT    6    5   10   28   29                                       
CONECT    7    4    4   15   19                                       
CONECT    8    9   15   30   31                                       
CONECT    9    8   32   33   34                                       
CONECT   10    6   14   16   35                                       
CONECT   11   17                                                      
CONECT   12   18                                                      
CONECT   13    2    3   16                                            
CONECT   14    2   10                                                 
CONECT   15    7    8                                                 
CONECT   16   10   13   23   23                                       
CONECT   17    5    5   11   18                                       
CONECT   18   12   17   19   19                                       
CONECT   19    7   18   18   24                                       
CONECT   20    1    1                                                 
CONECT   21    2    2                                                 
CONECT   22    1   36                                                 
CONECT   23   16   16                                                 
CONECT   24   19   37                                                 
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   22                                                      
CONECT   37   24                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
