COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -4.942   0.670  -0.086  1.00  0.00           S  
HETATM    2  N   UNL     1       1.749  -0.451  -0.009  1.00  0.00           N  
HETATM    3  O   UNL     1       0.948  -2.522   0.041  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.669  -0.836  -0.022  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.030  -1.276  -0.027  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.731  -1.742  -0.007  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.280   0.084  -0.061  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.928   0.535  -0.057  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.231   0.987  -0.076  1.00  0.00           C  
HETATM   10  C   UNL     1       0.725  -1.328   0.006  1.00  0.00           C  
HETATM   11  C   UNL     1       3.131  -0.938   0.018  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.901   1.968  -0.662  1.00  0.00           O  
HETATM   13  C   UNL     1       4.091   0.252  -0.005  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.732  -0.388  -0.610  1.00  0.00           O  
HETATM   15  C   UNL     1       5.534  -0.256   0.023  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.415   0.871   1.488  1.00  0.00           N  
HETATM   17  C   UNL     1       6.495   0.934  -0.001  1.00  0.00           C  
HETATM   18  C   UNL     1       7.938   0.426   0.027  1.00  0.00           C  
HETATM   19  C   UNL     1       8.899   1.617   0.004  1.00  0.00           C  
HETATM   20  H   UNL     1       1.571   0.502  -0.037  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.853  -1.975  -0.015  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.537  -2.803   0.021  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.111   1.240  -0.068  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.434   2.047  -0.104  1.00  0.00           H  
HETATM   25  H   UNL     1       3.294  -1.519   0.926  1.00  0.00           H  
HETATM   26  H   UNL     1       3.311  -1.568  -0.853  1.00  0.00           H  
HETATM   27  H   UNL     1       3.928   0.833  -0.914  1.00  0.00           H  
HETATM   28  H   UNL     1       3.911   0.882   0.866  1.00  0.00           H  
HETATM   29  H   UNL     1       5.697  -0.836   0.931  1.00  0.00           H  
HETATM   30  H   UNL     1       5.715  -0.886  -0.848  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.798   0.669   2.209  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.308   1.190   1.689  1.00  0.00           H  
HETATM   33  H   UNL     1       6.332   1.515  -0.909  1.00  0.00           H  
HETATM   34  H   UNL     1       6.315   1.564   0.870  1.00  0.00           H  
HETATM   35  H   UNL     1       8.101  -0.154   0.935  1.00  0.00           H  
HETATM   36  H   UNL     1       8.118  -0.204  -0.844  1.00  0.00           H  
HETATM   37  H   UNL     1       9.927   1.254   0.023  1.00  0.00           H  
HETATM   38  H   UNL     1       8.736   2.197  -0.905  1.00  0.00           H  
HETATM   39  H   UNL     1       8.718   2.246   0.875  1.00  0.00           H  
CONECT    1    7   16   12   12                                       
CONECT    1   14   14                                                 
CONECT    2   11   10   20                                            
CONECT    3   10   10                                                 
CONECT    4   10    6    6    8                                       
CONECT    5    6    7    7   21                                       
CONECT    6    4    4    5   22                                       
CONECT    7    1    5    5    9                                       
CONECT    8    4    9    9   23                                       
CONECT    9    7    8    8   24                                       
CONECT   10    2    3    3    4                                       
CONECT   11    2   13   25   26                                       
CONECT   12    1    1                                                 
CONECT   13   11   15   27   28                                       
CONECT   14    1    1                                                 
CONECT   15   13   17   29   30                                       
CONECT   16    1   31   32                                            
CONECT   17   15   18   33   34                                       
CONECT   18   17   19   35   36                                       
CONECT   19   18   37   38   39                                       
CONECT   20    2                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   15                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
