COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.396  -1.407   0.002  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.917  -0.289  -0.001  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.725   0.791   0.001  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.463  -0.115   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.572  -1.119  -0.001  1.00  0.00           C  
HETATM    6  S   UNL     1      -0.639   1.435  -0.003  1.00  0.00           S  
HETATM    7  C   UNL     1       0.935   0.650   0.001  1.00  0.00           C  
HETATM    8  C   UNL     1       0.772  -0.726   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1       2.086  -1.290   0.001  1.00  0.00           C  
HETATM   10  C   UNL     1       2.413  -2.761  -0.003  1.00  0.00           C  
HETATM   11  N   UNL     1       2.952  -0.321   0.004  1.00  0.00           N  
HETATM   12  N   UNL     1       2.278   0.904   0.003  1.00  0.00           N  
HETATM   13  C   UNL     1       2.904   2.228  -0.001  1.00  0.00           C  
HETATM   14  H   UNL     1      -4.678   0.627   0.004  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.870  -2.157  -0.003  1.00  0.00           H  
HETATM   16  H   UNL     1       2.493  -3.113  -1.032  1.00  0.00           H  
HETATM   17  H   UNL     1       3.359  -2.925   0.511  1.00  0.00           H  
HETATM   18  H   UNL     1       1.622  -3.310   0.508  1.00  0.00           H  
HETATM   19  H   UNL     1       3.057   2.561   1.026  1.00  0.00           H  
HETATM   20  H   UNL     1       3.864   2.175  -0.513  1.00  0.00           H  
HETATM   21  H   UNL     1       2.255   2.935  -0.518  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   14                                                 
CONECT    4    5    5    2    6                                       
CONECT    5    8    4    4   15                                       
CONECT    6    4    7                                                 
CONECT    7    8    8   12    6                                       
CONECT    8    9    5    7    7                                       
CONECT    9   10    8   11   11                                       
CONECT   10    9   16   17   18                                       
CONECT   11    9    9   12                                            
CONECT   12   11    7   13                                            
CONECT   13   12   19   20   21                                       
CONECT   14    3                                                      
CONECT   15    5                                                      
CONECT   16   10                                                      
CONECT   17   10                                                      
CONECT   18   10                                                      
CONECT   19   13                                                      
CONECT   20   13                                                      
CONECT   21   13                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
