COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.969  -0.124   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       1.710  -1.437   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.376  -1.768   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.451  -0.679   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.914  -0.724   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.071   0.302   0.001  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.700   1.697   0.002  1.00  0.00           C  
HETATM    8  N   UNL     1       3.328   0.463   0.002  1.00  0.00           N1+
HETATM    9  O   UNL     1       4.306  -0.264   0.001  1.00  0.00           O  
HETATM   10  O   UNL     1       3.470   1.673   0.003  1.00  0.00           O1-
HETATM   11  O   UNL     1      -2.490  -1.796   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.624   0.423   0.001  1.00  0.00           O  
HETATM   13  S   UNL     1       0.525   0.784  -0.006  1.00  0.00           S  
HETATM   14  H   UNL     1       2.492  -2.182  -0.001  1.00  0.00           H  
HETATM   15  H   UNL     1       0.017  -2.787  -0.001  1.00  0.00           H  
HETATM   16  H   UNL     1      -4.391  -0.241   0.891  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.391  -0.240  -0.889  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.380   2.239   0.892  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.380   2.240  -0.888  1.00  0.00           H  
HETATM   20  H   UNL     1      -5.786   1.607   0.002  1.00  0.00           H  
CONECT    1    2    2    8   13                                       
CONECT    2    1    1    3   14                                       
CONECT    3    2    4    4   15                                       
CONECT    4    3    3    5   13                                       
CONECT    5    4   11   11   12                                       
CONECT    6    7   12   16   17                                       
CONECT    7    6   18   19   20                                       
CONECT    8    1    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8                                                      
CONECT   11    5    5                                                 
CONECT   12    5    6                                                 
CONECT   13    1    4                                                 
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    7                                                      
CONECT   20    7                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
