COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.633   1.962   0.495  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.031   0.751   0.588  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.289   0.550   1.085  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.304   0.210   0.145  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.757   1.475  -0.587  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.016  -1.892  -0.273  1.00  0.00           N  
HETATM    7  C   UNL     1       0.228  -1.676   0.108  1.00  0.00           C  
HETATM    8  N   UNL     1       1.043  -2.716   0.510  1.00  0.00           N  
HETATM    9  C   UNL     1       0.716  -0.289   0.087  1.00  0.00           C  
HETATM   10  S   UNL     1       2.242   0.314  -0.521  1.00  0.00           S  
HETATM   11  C   UNL     1       1.843   1.911  -0.068  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.776  -0.801  -0.874  1.00  0.00           C  
HETATM   13  H   UNL     1       0.201   2.886   0.848  1.00  0.00           H  
HETATM   14  H   UNL     1      -3.153  -0.223   0.674  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.908   1.917  -1.109  1.00  0.00           H  
HETATM   16  H   UNL     1      -3.534   1.219  -1.308  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.152   2.191   0.134  1.00  0.00           H  
HETATM   18  H   UNL     1       0.703  -3.625   0.516  1.00  0.00           H  
HETATM   19  H   UNL     1       1.956  -2.538   0.786  1.00  0.00           H  
HETATM   20  H   UNL     1       2.484   2.767  -0.217  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.622  -1.222  -1.418  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.135  -0.279  -1.584  1.00  0.00           H  
CONECT    1    2   11   11   13                                       
CONECT    2    1    3    9    9                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   12   14                                       
CONECT    5    4   15   16   17                                       
CONECT    6    7    7   12                                            
CONECT    7    6    6    8    9                                       
CONECT    8    7   18   19                                            
CONECT    9    2    2    7   10                                       
CONECT   10    9   11                                                 
CONECT   11    1    1   10   20                                       
CONECT   12    4    6   21   22                                       
CONECT   13    1                                                      
CONECT   14    4                                                      
CONECT   15    5                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20   11                                                      
CONECT   21   12                                                      
CONECT   22   12                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
