COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.600  -0.149   0.321  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.333   2.606  -0.219  1.00  0.00           C  
HETATM    3  C   UNL     1       4.315  -0.258  -1.026  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.136  -3.309   0.522  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.673  -1.959   0.597  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.194  -1.108  -0.426  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.634   0.305  -0.249  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.185   0.286  -0.461  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.473   1.426  -0.355  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.044   2.484  -0.177  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.129   1.392  -0.446  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.433   0.140  -0.775  1.00  0.00           C  
HETATM   13  N   UNL     1       1.396   1.066   0.548  1.00  0.00           N  
HETATM   14  C   UNL     1       0.700   2.317   0.877  1.00  0.00           C  
HETATM   15  C   UNL     1       2.740   1.032   0.457  1.00  0.00           C  
HETATM   16  O   UNL     1       3.395   2.013   0.754  1.00  0.00           O  
HETATM   17  C   UNL     1       3.414  -0.187  -0.001  1.00  0.00           C  
HETATM   18  C   UNL     1       4.788  -1.530  -1.247  1.00  0.00           C  
HETATM   19  C   UNL     1       4.293  -2.469  -0.433  1.00  0.00           C  
HETATM   20  S   UNL     1       3.191  -1.793   0.681  1.00  0.00           S  
HETATM   21  H   UNL     1       0.088  -0.428   1.242  1.00  0.00           H  
HETATM   22  H   UNL     1       1.253  -0.963   0.004  1.00  0.00           H  
HETATM   23  H   UNL     1       0.179   2.885  -1.140  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.985   3.420   0.098  1.00  0.00           H  
HETATM   25  H   UNL     1       4.621   0.599  -1.607  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.222  -3.326   0.611  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.844  -3.741  -0.436  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.695  -3.890   1.332  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.903  -1.494  -1.403  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.281  -1.080  -0.356  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.099   0.973  -0.973  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.849   0.656   0.760  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.737  -0.547  -0.678  1.00  0.00           H  
HETATM   34  H   UNL     1       0.072   0.244  -1.736  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.153  -0.677  -0.824  1.00  0.00           H  
HETATM   36  H   UNL     1       1.420   3.134   0.926  1.00  0.00           H  
HETATM   37  H   UNL     1       0.195   2.214   1.837  1.00  0.00           H  
HETATM   38  H   UNL     1       5.506  -1.754  -2.021  1.00  0.00           H  
HETATM   39  H   UNL     1       4.558  -3.515  -0.473  1.00  0.00           H  
CONECT    1   12   13   21   22                                       
CONECT    2   14   11   23   24                                       
CONECT    3   17   17   18   25                                       
CONECT    4    5   26   27   28                                       
CONECT    5    4    6                                                 
CONECT    6    5    7   29   30                                       
CONECT    7    6    8   31   32                                       
CONECT    8    7    9   33                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12    2                                            
CONECT   12   11    1   34   35                                       
CONECT   13    1   14   15                                            
CONECT   14    2   13   36   37                                       
CONECT   15   13   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15    3    3   20                                       
CONECT   18    3   19   19   38                                       
CONECT   19   18   18   20   39                                       
CONECT   20   19   17                                                 
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
