COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.488   0.641   0.047  1.00  0.00           C  
HETATM    2  C   UNL     1       0.819   0.242   0.019  1.00  0.00           C  
HETATM    3  S   UNL     1       2.371   1.096  -0.002  1.00  0.00           S  
HETATM    4  O   UNL     1       2.524   1.734   1.258  1.00  0.00           O  
HETATM    5  O   UNL     1       2.475   1.764  -1.251  1.00  0.00           O  
HETATM    6  N   UNL     1       3.415  -0.209  -0.034  1.00  0.00           N  
HETATM    7  C   UNL     1       2.638  -1.301  -0.031  1.00  0.00           C  
HETATM    8  O   UNL     1       3.124  -2.415  -0.051  1.00  0.00           O  
HETATM    9  C   UNL     1       1.182  -1.111  -0.002  1.00  0.00           C  
HETATM   10  C   UNL     1       0.146  -2.060   0.007  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.169  -1.654   0.036  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.497  -0.311   0.056  1.00  0.00           C  
HETATM   13  S   UNL     1      -3.187   0.189   0.099  1.00  0.00           S  
HETATM   14  O   UNL     1      -3.914  -0.903   0.645  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.205   1.494   0.662  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.691   0.350  -1.470  1.00  0.00           N  
HETATM   17  H   UNL     1      -0.733   1.692   0.067  1.00  0.00           H  
HETATM   18  H   UNL     1       4.385  -0.181  -0.053  1.00  0.00           H  
HETATM   19  H   UNL     1       0.383  -3.114  -0.008  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.955  -2.395   0.043  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.075   0.172  -2.198  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.602   0.621  -1.661  1.00  0.00           H  
CONECT    1    2    2   12   17                                       
CONECT    2    3    9    1    1                                       
CONECT    3    5    5    6    2                                       
CONECT    3    4    4                                                 
CONECT    4    3    3                                                 
CONECT    5    3    3                                                 
CONECT    6    7    3   18                                            
CONECT    7    8    8    6    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   10    2                                       
CONECT   10    9    9   11   19                                       
CONECT   11   10   12   12   20                                       
CONECT   12   11   11    1   13                                       
CONECT   13   12   16   15   15                                       
CONECT   13   14   14                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   21   22                                            
CONECT   17    1                                                      
CONECT   18    6                                                      
CONECT   19   10                                                      
CONECT   20   11                                                      
CONECT   21   16                                                      
CONECT   22   16                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
