COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.116   0.068  -0.069  1.00  0.00           C  
HETATM    2  C   UNL     1       5.616   0.212  -0.041  1.00  0.00           C  
HETATM    3  S   UNL     1       4.452  -1.106   0.067  1.00  0.00           S  
HETATM    4  C   UNL     1       4.938   1.360  -0.088  1.00  0.00           C  
HETATM    5  N   UNL     1       3.625   1.224  -0.049  1.00  0.00           N  
HETATM    6  C   UNL     1       3.162   0.016   0.031  1.00  0.00           C  
HETATM    7  N   UNL     1       1.816  -0.318   0.083  1.00  0.00           N  
HETATM    8  C   UNL     1       0.879   0.651   0.048  1.00  0.00           C  
HETATM    9  O   UNL     1       1.210   1.821   0.119  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.492   0.308  -0.073  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.420   1.279   0.067  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.986   2.537   0.322  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.868   1.061  -0.040  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.734   2.145  -0.217  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.093   1.928  -0.317  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.607   0.646  -0.246  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.758  -0.436  -0.071  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.404  -0.231   0.031  1.00  0.00           C  
HETATM   19  S   UNL     1      -2.292  -1.585   0.259  1.00  0.00           S  
HETATM   20  O   UNL     1      -2.723  -2.622  -0.612  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.130  -1.753   1.660  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.835  -1.031  -0.340  1.00  0.00           N  
HETATM   23  C   UNL     1       0.054  -1.905  -1.109  1.00  0.00           C  
HETATM   24  H   UNL     1       7.380  -0.988  -0.012  1.00  0.00           H  
HETATM   25  H   UNL     1       7.504   0.490  -0.996  1.00  0.00           H  
HETATM   26  H   UNL     1       7.547   0.597   0.780  1.00  0.00           H  
HETATM   27  H   UNL     1       5.424   2.322  -0.153  1.00  0.00           H  
HETATM   28  H   UNL     1       1.549  -1.248   0.146  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.697   3.187   0.412  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.341   3.149  -0.273  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.760   2.766  -0.453  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.672   0.487  -0.326  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.160  -1.437  -0.014  1.00  0.00           H  
HETATM   34  H   UNL     1       0.946  -1.349  -1.400  1.00  0.00           H  
HETATM   35  H   UNL     1       0.342  -2.760  -0.498  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.463  -2.254  -2.003  1.00  0.00           H  
CONECT    1    2   24   25   26                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2    6                                                 
CONECT    4    2    2    5   27                                       
CONECT    5    4    6    6                                            
CONECT    6    3    5    5    7                                       
CONECT    7    6    8   28                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11   22                                       
CONECT   11   10   10   12   13                                       
CONECT   12   11   29                                                 
CONECT   13   11   14   14   18                                       
CONECT   14   13   13   15   30                                       
CONECT   15   14   16   16   31                                       
CONECT   16   15   15   17   32                                       
CONECT   17   16   18   18   33                                       
CONECT   18   13   17   17   19                                       
CONECT   19   18   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   10   19   23                                            
CONECT   23   22   34   35   36                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    4                                                      
CONECT   28    7                                                      
CONECT   29   12                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   23                                                      
CONECT   35   23                                                      
CONECT   36   23                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
