COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.820  -0.247  -0.063  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.851   0.077   0.518  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.102  -0.999  -1.573  1.00  0.00           O  
HETATM    4  S   UNL     1      -0.781  -0.972  -0.189  1.00  0.00           S  
HETATM    5  C   UNL     1       1.611  -0.506   1.040  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.761  -2.135   0.628  1.00  0.00           O  
HETATM    7  C   UNL     1       2.867   0.063   1.139  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.071   1.354  -0.051  1.00  0.00           O  
HETATM    9  C   UNL     1       3.332   0.890   0.134  1.00  0.00           C  
HETATM   10  C   UNL     1       2.541   1.149  -0.970  1.00  0.00           C  
HETATM   11  C   UNL     1       1.287   0.577  -1.070  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.017   2.153   0.661  1.00  0.00           C  
HETATM   13  H   UNL     1      -2.327  -0.185   1.322  1.00  0.00           H  
HETATM   14  H   UNL     1       1.248  -1.153   1.826  1.00  0.00           H  
HETATM   15  H   UNL     1       3.485  -0.139   2.001  1.00  0.00           H  
HETATM   16  H   UNL     1       4.313   1.335   0.212  1.00  0.00           H  
HETATM   17  H   UNL     1       2.904   1.796  -1.755  1.00  0.00           H  
HETATM   18  H   UNL     1       0.670   0.776  -1.934  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.980   1.642   0.685  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.665   2.311   1.681  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.130   3.116   0.162  1.00  0.00           H  
CONECT    1    4    5    5   11                                       
CONECT    2    4    8   13                                            
CONECT    3    4    4                                                 
CONECT    4    1    2    3    3                                       
CONECT    4    6    6                                                 
CONECT    5    1    1    7   14                                       
CONECT    6    4    4                                                 
CONECT    7    5    9    9   15                                       
CONECT    8    2   12                                                 
CONECT    9    7    7   10   16                                       
CONECT   10    9   11   11   17                                       
CONECT   11    1   10   10   18                                       
CONECT   12    8   19   20   21                                       
CONECT   13    2                                                      
CONECT   14    5                                                      
CONECT   15    7                                                      
CONECT   16    9                                                      
CONECT   17   10                                                      
CONECT   18   11                                                      
CONECT   19   12                                                      
CONECT   20   12                                                      
CONECT   21   12                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
