COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.091   0.000   5.198  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.145   0.000   4.025  1.00  0.00           C  
HETATM    3  O   UNL     1       1.047   0.000   4.212  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.687   0.000   2.619  1.00  0.00           C  
HETATM    5  S   UNL     1       0.690   0.000   1.440  1.00  0.00           S  
HETATM    6  C   UNL     1      -0.231   0.000  -0.121  1.00  0.00           C  
HETATM    7  C   UNL     1       0.750   0.000  -1.294  1.00  0.00           C  
HETATM    8  S   UNL     1      -0.171   0.000  -2.856  1.00  0.00           S  
HETATM    9  O   UNL     1      -0.822  -1.243  -3.080  1.00  0.00           O  
HETATM   10  O   UNL     1       0.928   0.000  -3.908  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.821   1.243  -3.080  1.00  0.00           O  
HETATM   12  H   UNL     1      -0.520   0.000   6.126  1.00  0.00           H  
HETATM   13  H   UNL     1      -1.719   0.890   5.158  1.00  0.00           H  
HETATM   14  H   UNL     1      -1.719  -0.890   5.158  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.297  -0.890   2.465  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.297   0.890   2.465  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.859  -0.890  -0.173  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.859   0.890  -0.173  1.00  0.00           H  
HETATM   19  H   UNL     1       1.378   0.890  -1.242  1.00  0.00           H  
HETATM   20  H   UNL     1       1.378  -0.890  -1.242  1.00  0.00           H  
HETATM   21  H   UNL     1       0.490   0.000  -4.770  1.00  0.00           H  
CONECT    1    2   12   13   14                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   15   16                                       
CONECT    5    4    6                                                 
CONECT    6    5    7   17   18                                       
CONECT    7    6    8   19   20                                       
CONECT    8    7    9    9   10                                       
CONECT    8   11   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8   21                                                 
CONECT   11    8    8                                                 
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    1                                                      
CONECT   15    4                                                      
CONECT   16    4                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19    7                                                      
CONECT   20    7                                                      
CONECT   21   10                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
