COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.771   1.236  -0.168  1.00  0.00           C  
HETATM    2  C   UNL     1       1.400   0.976  -0.088  1.00  0.00           C  
HETATM    3  C   UNL     1       0.959  -0.336   0.119  1.00  0.00           C  
HETATM    4  C   UNL     1       1.873  -1.370   0.244  1.00  0.00           C  
HETATM    5  C   UNL     1       3.224  -1.099   0.163  1.00  0.00           C  
HETATM    6  C   UNL     1       3.669   0.198  -0.048  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.533  -1.245   0.331  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.908  -0.582   0.277  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.454  -2.231  -0.700  1.00  0.00           O  
HETATM   10  S   UNL     1      -2.547   1.178   0.005  1.00  0.00           S  
HETATM   11  C   UNL     1      -0.785   1.009  -0.025  1.00  0.00           C  
HETATM   12  N   UNL     1       0.294   1.756  -0.169  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.442  -0.289   0.156  1.00  0.00           N  
HETATM   14  H   UNL     1       3.125   2.244  -0.328  1.00  0.00           H  
HETATM   15  H   UNL     1       1.531  -2.381   0.404  1.00  0.00           H  
HETATM   16  H   UNL     1       3.940  -1.902   0.260  1.00  0.00           H  
HETATM   17  H   UNL     1       4.728   0.398  -0.110  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.417  -1.739   1.296  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.492  -0.984  -0.552  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.145  -2.905  -0.654  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.436  -0.722   1.220  1.00  0.00           H  
CONECT    1    6    6    2   14                                       
CONECT    2    3    3    1   12                                       
CONECT    3    4   13    2    2                                       
CONECT    4    5    5    3   15                                       
CONECT    5    4    4    6   16                                       
CONECT    6    5    1    1   17                                       
CONECT    7    9   13    8   18                                       
CONECT    8    7   10   19   21                                       
CONECT    9    7   20                                                 
CONECT   10    8   11                                                 
CONECT   11   13   10   12   12                                       
CONECT   12    2   11   11                                            
CONECT   13    7    3   11                                            
CONECT   14    1                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
CONECT   21    8                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
