COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       4.500  -0.349  -0.286  1.00  0.00           S  
HETATM    2  O   UNL     1       5.829  -0.283   0.212  1.00  0.00           O  
HETATM    3  O   UNL     1       4.106  -0.976  -1.499  1.00  0.00           O  
HETATM    4  N   UNL     1       3.608  -1.075   0.906  1.00  0.00           N  
HETATM    5  C   UNL     1       3.952   1.321  -0.410  1.00  0.00           C  
HETATM    6  C   UNL     1       2.924   1.649  -1.274  1.00  0.00           C  
HETATM    7  C   UNL     1       2.492   2.959  -1.369  1.00  0.00           C  
HETATM    8  C   UNL     1       3.093   3.942  -0.606  1.00  0.00           C  
HETATM    9  C   UNL     1       4.125   3.615   0.255  1.00  0.00           C  
HETATM   10  C   UNL     1       4.554   2.305   0.352  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.599   0.810   0.261  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.091   0.633   0.146  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.620  -0.119  -0.887  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.988  -0.287  -0.989  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.300   1.060   0.967  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.829   0.308  -0.066  1.00  0.00           C  
HETATM   17 BR   UNL     1      -6.701   0.086  -0.211  1.00  0.00          Br  
HETATM   18  N   UNL     1       2.214  -1.151   0.790  1.00  0.00           N  
HETATM   19  C   UNL     1       1.681  -2.226   0.180  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.018  -0.313   1.122  1.00  0.00           C  
HETATM   21  C   UNL     1       1.488  -0.162   1.286  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.931   1.222   1.073  1.00  0.00           C  
HETATM   23  S   UNL     1      -0.079  -1.927   0.246  1.00  0.00           S  
HETATM   24  S   UNL     1       2.499  -3.566  -0.502  1.00  0.00           S  
HETATM   25  O   UNL     1       1.988   0.798   1.832  1.00  0.00           O  
HETATM   26  H   UNL     1       4.051  -1.448   1.684  1.00  0.00           H  
HETATM   27  H   UNL     1       2.454   0.881  -1.871  1.00  0.00           H  
HETATM   28  H   UNL     1       1.686   3.214  -2.040  1.00  0.00           H  
HETATM   29  H   UNL     1       2.757   4.965  -0.681  1.00  0.00           H  
HETATM   30  H   UNL     1       4.595   4.383   0.851  1.00  0.00           H  
HETATM   31  H   UNL     1       5.360   2.049   1.024  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.152   0.776  -0.732  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.382   1.772   0.724  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.964  -0.579  -1.611  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.401  -0.875  -1.796  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.955   1.521   1.691  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.518  -0.368   2.089  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.517   1.810   1.879  1.00  0.00           H  
CONECT    1    2    2    3    3                                       
CONECT    1    4    5                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1   18   26                                            
CONECT    5    1    6   10   10                                       
CONECT    6    5    7    7   27                                       
CONECT    7    6    6    8   28                                       
CONECT    8    7    9    9   29                                       
CONECT    9    8    8   10   30                                       
CONECT   10    5    5    9   31                                       
CONECT   11   12   20   32   33                                       
CONECT   12   11   13   22   22                                       
CONECT   13   12   14   14   34                                       
CONECT   14   13   13   16   35                                       
CONECT   15   16   16   22   36                                       
CONECT   16   14   15   15   17                                       
CONECT   17   16                                                      
CONECT   18    4   19   21                                            
CONECT   19   18   23   24   24                                       
CONECT   20   11   21   23   37                                       
CONECT   21   18   20   25   25                                       
CONECT   22   12   12   15   38                                       
CONECT   23   19   20                                                 
CONECT   24   19   19                                                 
CONECT   25   21   21                                                 
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   20                                                      
CONECT   38   22                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
