COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.890  -0.774   0.009  1.00  0.00           C  
HETATM    2  C   UNL     1       2.428   0.510   0.040  1.00  0.00           C  
HETATM    3  C   UNL     1       1.587   1.610   0.027  1.00  0.00           C  
HETATM    4  C   UNL     1       0.216   1.433  -0.015  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.319   0.159  -0.046  1.00  0.00           C  
HETATM    6  C   UNL     1       0.514  -0.945  -0.040  1.00  0.00           C  
HETATM    7  N   UNL     1       2.735  -1.890   0.021  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.605  -0.151   1.455  1.00  0.00           N  
HETATM    9  O   UNL     1       3.776   0.683   0.083  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.602   1.141  -0.647  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.291  -1.339  -0.685  1.00  0.00           O  
HETATM   12  S   UNL     1      -2.066  -0.060  -0.108  1.00  0.00           S  
HETATM   13  H   UNL     1       2.002   2.607   0.052  1.00  0.00           H  
HETATM   14  H   UNL     1      -0.438   2.292  -0.025  1.00  0.00           H  
HETATM   15  H   UNL     1       0.093  -1.939  -0.064  1.00  0.00           H  
HETATM   16  H   UNL     1       3.697  -1.769   0.051  1.00  0.00           H  
HETATM   17  H   UNL     1       2.359  -2.784  -0.001  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.658  -1.011   1.900  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.867   0.655   1.926  1.00  0.00           H  
HETATM   20  H   UNL     1       4.193   0.744  -0.787  1.00  0.00           H  
CONECT    1    6    7    2    2                                       
CONECT    2    1    1    3    9                                       
CONECT    3    4    4    2   13                                       
CONECT    4    5    3    3   14                                       
CONECT    5   12    6    6    4                                       
CONECT    6    5    5    1   15                                       
CONECT    7    1   16   17                                            
CONECT    8   12   18   19                                            
CONECT    9    2   20                                                 
CONECT   10   12   12                                                 
CONECT   11   12   12                                                 
CONECT   12    8   10   10   11                                       
CONECT   12   11    5                                                 
CONECT   13    3                                                      
CONECT   14    4                                                      
CONECT   15    6                                                      
CONECT   16    7                                                      
CONECT   17    7                                                      
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
