COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.673   1.244   0.108  1.00  0.00           C  
HETATM    2  C   UNL     1       2.317   0.588   0.051  1.00  0.00           C  
HETATM    3  N   UNL     1       1.250   1.327   0.038  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.002   0.816  -0.016  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.098   1.841   0.031  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.424   1.338  -0.522  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.828  -0.217   0.335  1.00  0.00           S  
HETATM    8  C   UNL     1      -1.451  -1.269  -0.199  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.147  -0.522  -0.084  1.00  0.00           C  
HETATM   10  C   UNL     1       1.020  -1.335  -0.052  1.00  0.00           C  
HETATM   11  O   UNL     1       0.921  -2.550  -0.085  1.00  0.00           O  
HETATM   12  N   UNL     1       2.232  -0.757   0.009  1.00  0.00           N  
HETATM   13  H   UNL     1       3.551   2.327   0.132  1.00  0.00           H  
HETATM   14  H   UNL     1       4.197   0.917   1.006  1.00  0.00           H  
HETATM   15  H   UNL     1       4.250   0.962  -0.773  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.245   2.148   1.066  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.786   2.711  -0.547  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.205   2.076  -0.337  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.332   1.156  -1.593  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.412  -2.159   0.428  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.606  -1.567  -1.236  1.00  0.00           H  
HETATM   22  H   UNL     1       3.035  -1.301   0.025  1.00  0.00           H  
CONECT    1    2   13   14   15                                       
CONECT    2    1    3    3   12                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    9    9                                       
CONECT    5    4    6   16   17                                       
CONECT    6    5    7   18   19                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   20   21                                       
CONECT    9    4    4    8   10                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12    2   10   22                                            
CONECT   13    1                                                      
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22   12                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
