COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.361  -1.544  -0.225  1.00  0.00           C  
HETATM    2  O   UNL     1       0.527  -2.174   1.047  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.784  -0.558  -0.155  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.632   0.807  -0.074  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.785   1.601   0.046  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.039   1.042   0.065  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.182  -0.330  -0.038  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.058  -1.119  -0.148  1.00  0.00           C  
HETATM    9  C   UNL     1       1.635   0.797   0.389  1.00  0.00           C  
HETATM   10  O   UNL     1       0.518   1.513  -0.102  1.00  0.00           O  
HETATM   11  N   UNL     1       2.829   1.652   0.345  1.00  0.00           N  
HETATM   12  S   UNL     1       1.885  -0.663  -0.669  1.00  0.00           S  
HETATM   13  H   UNL     1       0.144  -2.300  -0.980  1.00  0.00           H  
HETATM   14  H   UNL     1       1.265  -2.793   0.958  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.682   2.673   0.125  1.00  0.00           H  
HETATM   16  H   UNL     1      -3.912   1.672   0.161  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.165  -0.778  -0.033  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.167  -2.190  -0.230  1.00  0.00           H  
HETATM   19  H   UNL     1       1.447   0.481   1.415  1.00  0.00           H  
HETATM   20  H   UNL     1       2.638   2.448   0.935  1.00  0.00           H  
HETATM   21  H   UNL     1       3.573   1.134   0.789  1.00  0.00           H  
CONECT    1    2    3   12   13                                       
CONECT    2    1   14                                                 
CONECT    3    1    4    4    8                                       
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6   15                                       
CONECT    6    5    5    7   16                                       
CONECT    7    6    8    8   17                                       
CONECT    8    3    7    7   18                                       
CONECT    9   10   11   12   19                                       
CONECT   10    4    9                                                 
CONECT   11    9   20   21                                            
CONECT   12    1    9                                                 
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    5                                                      
CONECT   16    6                                                      
CONECT   17    7                                                      
CONECT   18    8                                                      
CONECT   19    9                                                      
CONECT   20   11                                                      
CONECT   21   11                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
