COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.020   0.304   0.004  1.00  0.00           C  
HETATM    2  O   UNL     1       1.173   2.025  -0.002  1.00  0.00           O  
HETATM    3  C   UNL     1       1.364   0.823   0.001  1.00  0.00           C  
HETATM    4  O   UNL     1       0.315  -0.026   0.002  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.916   0.521   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.010  -0.274   0.001  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.299   0.299   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.506  -0.578   0.001  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.379  -1.784   0.003  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.735  -0.031  -0.001  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.426   1.509  -0.003  1.00  0.00           O  
HETATM   12  C   UNL     1       2.730   0.299   0.002  1.00  0.00           C  
HETATM   13  C   UNL     1       3.870   1.055   0.001  1.00  0.00           C  
HETATM   14  C   UNL     1       4.832  -1.022   0.002  1.00  0.00           C  
HETATM   15  S   UNL     1       3.169  -1.403  -0.004  1.00  0.00           S  
HETATM   16  H   UNL     1       6.004   0.749   0.004  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.029   1.595  -0.002  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.897  -1.348   0.004  1.00  0.00           H  
HETATM   19  H   UNL     1      -6.487  -0.639   0.000  1.00  0.00           H  
HETATM   20  H   UNL     1       3.867   2.135  -0.001  1.00  0.00           H  
HETATM   21  H   UNL     1       5.628  -1.753   0.000  1.00  0.00           H  
CONECT    1   14   14   13   16                                       
CONECT    2    3    3                                                 
CONECT    3   12    4    2    2                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6   17                                       
CONECT    6    7    5    5   18                                       
CONECT    7   11   11    6    8                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   19                                                 
CONECT   11    7    7                                                 
CONECT   12   15   13   13    3                                       
CONECT   13    1   12   12   20                                       
CONECT   14   15    1    1   21                                       
CONECT   15   14   12                                                 
CONECT   16    1                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19   10                                                      
CONECT   20   13                                                      
CONECT   21   14                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
