COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.684   1.224  -0.002  1.00  0.00           C  
HETATM    2  S   UNL     1       3.093  -0.491  -0.001  1.00  0.00           S  
HETATM    3  C   UNL     1       1.341  -0.306   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.521  -1.429   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.851  -1.280   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.411  -0.015   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.883   0.140  -0.001  1.00  0.00           N1+
HETATM    8  O   UNL     1      -3.600  -0.845   0.000  1.00  0.00           O1-
HETATM    9  O   UNL     1      -3.378   1.253  -0.001  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.599   1.104  -0.001  1.00  0.00           C  
HETATM   11  C   UNL     1       0.774   0.963   0.005  1.00  0.00           C  
HETATM   12  H   UNL     1       3.317   1.734  -0.892  1.00  0.00           H  
HETATM   13  H   UNL     1       3.317   1.735   0.888  1.00  0.00           H  
HETATM   14  H   UNL     1       4.774   1.232  -0.002  1.00  0.00           H  
HETATM   15  H   UNL     1       0.958  -2.417   0.000  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.488  -2.152   0.001  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.040   2.090  -0.001  1.00  0.00           H  
HETATM   18  H   UNL     1       1.408   1.838   0.009  1.00  0.00           H  
CONECT    1    2   12   13   14                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   11                                       
CONECT    4    3    3    5   15                                       
CONECT    5    4    6    6   16                                       
CONECT    6    5    5    7   10                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7                                                      
CONECT    9    7    7                                                 
CONECT   10    6   11   11   17                                       
CONECT   11    3   10   10   18                                       
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    1                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17   10                                                      
CONECT   18   11                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
