COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.414   0.816  -0.057  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.938   0.510  -0.030  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.092   1.296  -0.026  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.168   0.435   0.006  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.420   0.788   0.018  1.00  0.00           N  
HETATM    6  O   UNL     1      -5.434  -0.200   0.052  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.709  -0.834   0.022  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.353  -0.820   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.406  -1.834   0.004  1.00  0.00           C  
HETATM   10  C   UNL     1       0.939  -1.522  -0.022  1.00  0.00           C  
HETATM   11  C   UNL     1       1.349  -0.201  -0.053  1.00  0.00           C  
HETATM   12  S   UNL     1       3.068   0.186  -0.094  1.00  0.00           S  
HETATM   13  O   UNL     1       3.723  -0.957  -0.627  1.00  0.00           O  
HETATM   14  O   UNL     1       3.174   1.481  -0.669  1.00  0.00           O  
HETATM   15  N   UNL     1       3.576   0.327   1.476  1.00  0.00           N  
HETATM   16  H   UNL     1       0.735   1.847  -0.085  1.00  0.00           H  
HETATM   17  H   UNL     1      -6.332   0.157   0.059  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.721  -2.867   0.028  1.00  0.00           H  
HETATM   19  H   UNL     1       1.675  -2.313  -0.019  1.00  0.00           H  
HETATM   20  H   UNL     1       2.947   0.198   2.203  1.00  0.00           H  
HETATM   21  H   UNL     1       4.503   0.539   1.668  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.130   2.265  -0.043  1.00  0.00           H  
CONECT    1    2   11   11   16                                       
CONECT    2    3    8    8    1                                       
CONECT    3    4    2   22                                            
CONECT    4    5    5    7    3                                       
CONECT    5    6    4    4                                            
CONECT    6    5   17                                                 
CONECT    7    4    8                                                 
CONECT    8    7    2    2    9                                       
CONECT    9    8   10   10   18                                       
CONECT   10    9    9   11   19                                       
CONECT   11    1    1   10   12                                       
CONECT   12   11   15   13   13                                       
CONECT   12   14   14                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   20   21                                            
CONECT   16    1                                                      
CONECT   17    6                                                      
CONECT   18    9                                                      
CONECT   19   10                                                      
CONECT   20   15                                                      
CONECT   21   15                                                      
CONECT   22    3                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
