COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.366   0.129  -0.002  1.00  0.00           C  
HETATM    2  C   UNL     1       3.274  -0.943   0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       1.920  -0.281  -0.001  1.00  0.00           C  
HETATM    4  O   UNL     1       1.837   0.929  -0.004  1.00  0.00           O  
HETATM    5  N   UNL     1       0.802  -1.034   0.002  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.447  -0.423   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.580  -1.052   0.002  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.673  -0.312   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.453   1.004  -0.003  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.711   1.266   0.003  1.00  0.00           S  
HETATM   11  C   UNL     1      -4.058  -0.906  -0.003  1.00  0.00           C  
HETATM   12  H   UNL     1       4.265   0.752   0.886  1.00  0.00           H  
HETATM   13  H   UNL     1       5.345  -0.350  -0.001  1.00  0.00           H  
HETATM   14  H   UNL     1       4.265   0.748  -0.894  1.00  0.00           H  
HETATM   15  H   UNL     1       3.375  -1.566  -0.887  1.00  0.00           H  
HETATM   16  H   UNL     1       3.375  -1.562   0.892  1.00  0.00           H  
HETATM   17  H   UNL     1       0.869  -2.002   0.004  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.210   1.774  -0.005  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.388  -1.053  -1.032  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.044  -1.866   0.514  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.745  -0.230   0.506  1.00  0.00           H  
CONECT    1    2   12   13   14                                       
CONECT    2    3    1   15   16                                       
CONECT    3    5    2    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    3   17                                            
CONECT    6    7    7   10    5                                       
CONECT    7    8    6    6                                            
CONECT    8   11    9    9    7                                       
CONECT    9    8    8   10   18                                       
CONECT   10    9    6                                                 
CONECT   11    8   19   20   21                                       
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    2                                                      
CONECT   17    5                                                      
CONECT   18    9                                                      
CONECT   19   11                                                      
CONECT   20   11                                                      
CONECT   21   11                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
