COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.475  -0.721   0.296  1.00  0.00           C  
HETATM    2  C   UNL     1       3.007  -0.422   0.604  1.00  0.00           C  
HETATM    3  C   UNL     1       2.268  -0.103  -0.697  1.00  0.00           C  
HETATM    4  C   UNL     1       0.821   0.192  -0.394  1.00  0.00           C  
HETATM    5  C   UNL     1       0.410   1.467  -0.227  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.082  -0.831  -0.294  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.375  -0.578  -0.024  1.00  0.00           C  
HETATM    8  S   UNL     1      -2.482  -1.880   0.095  1.00  0.00           S  
HETATM    9  N   UNL     1      -1.812   0.682   0.152  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.955   1.718   0.057  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.349   2.859   0.216  1.00  0.00           O  
HETATM   12  H   UNL     1       5.002  -0.948   1.223  1.00  0.00           H  
HETATM   13  H   UNL     1       4.539  -1.576  -0.377  1.00  0.00           H  
HETATM   14  H   UNL     1       4.932   0.148  -0.177  1.00  0.00           H  
HETATM   15  H   UNL     1       2.550  -1.291   1.077  1.00  0.00           H  
HETATM   16  H   UNL     1       2.943   0.433   1.277  1.00  0.00           H  
HETATM   17  H   UNL     1       2.724   0.766  -1.171  1.00  0.00           H  
HETATM   18  H   UNL     1       2.331  -0.958  -1.370  1.00  0.00           H  
HETATM   19  H   UNL     1       1.111   2.284  -0.307  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.749   0.846   0.346  1.00  0.00           H  
HETATM   21  H   UNL     1       0.214  -1.746  -0.418  1.00  0.00           H  
CONECT    1    2   12   13   14                                       
CONECT    2    3    1   15   16                                       
CONECT    3    4    2   17   18                                       
CONECT    4    6    3    5    5                                       
CONECT    5    4    4   10   19                                       
CONECT    6    7    4   21                                            
CONECT    7    8    8    6    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   20                                            
CONECT   10    9    5   11   11                                       
CONECT   11   10   10                                                 
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    3                                                      
CONECT   19    5                                                      
CONECT   20    9                                                      
CONECT   21    6                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
