COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.583  -0.362  -0.222  1.00  0.00           C  
HETATM    2  O   UNL     1       0.111   1.063   1.061  1.00  0.00           O  
HETATM    3  C   UNL     1       0.197   0.282  -0.132  1.00  0.00           C  
HETATM    4  O   UNL     1       1.746  -1.292   0.851  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.872  -0.812  -0.105  1.00  0.00           C  
HETATM    6  S   UNL     1      -2.518  -0.050  -0.148  1.00  0.00           S  
HETATM    7  O   UNL     1      -2.653   0.733  -1.366  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.677   0.816   1.010  1.00  0.00           O1-
HETATM    9  O   UNL     1      -3.532  -1.092  -0.121  1.00  0.00           O  
HETATM   10  C   UNL     1       2.657   0.723  -0.124  1.00  0.00           C  
HETATM   11  S   UNL     1       4.292  -0.019  -0.377  1.00  0.00           S  
HETATM   12  H   UNL     1       1.680  -0.884  -1.173  1.00  0.00           H  
HETATM   13  H   UNL     1       0.257   0.458   1.802  1.00  0.00           H  
HETATM   14  H   UNL     1       0.038   0.924  -0.999  1.00  0.00           H  
HETATM   15  H   UNL     1       1.653  -0.790   1.673  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.750  -1.462  -0.971  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.768  -1.399   0.808  1.00  0.00           H  
HETATM   18  H   UNL     1       2.479   1.480  -0.888  1.00  0.00           H  
HETATM   19  H   UNL     1       2.617   1.186   0.862  1.00  0.00           H  
HETATM   20  H   UNL     1       5.066   1.073  -0.255  1.00  0.00           H  
CONECT    1    3    4   10   12                                       
CONECT    2    3   13                                                 
CONECT    3    1    2    5   14                                       
CONECT    4    1   15                                                 
CONECT    5    3    6   16   17                                       
CONECT    6    5    7    7    8                                       
CONECT    6    9    9                                                 
CONECT    7    6    6                                                 
CONECT    8    6                                                      
CONECT    9    6    6                                                 
CONECT   10    1   11   18   19                                       
CONECT   11   10   20                                                 
CONECT   12    1                                                      
CONECT   13    2                                                      
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18   10                                                      
CONECT   19   10                                                      
CONECT   20   11                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
