COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK     1       2.436  -0.664  -3.010  1.00  0.00           O  
HETATM    2  C   UNK     1       1.500  -0.794  -2.231  1.00  0.00           C  
HETATM    3  C   UNK     1       1.665  -1.164  -0.766  1.00  0.00           C  
HETATM    4  N   UNK     1       3.035  -1.472  -0.440  1.00  0.00           N  
HETATM    5  C   UNK     1       1.076  -0.107   0.172  1.00  0.00           C  
HETATM    6  S   UNK     1       1.832   1.542  -0.014  1.00  0.00           S  
HETATM    7  C   UNK     1       0.877   2.448   1.159  1.00  0.00           C  
HETATM    8  O   UNK     1      -0.025   1.950   1.821  1.00  0.00           O  
HETATM    9  C   UNK     1       1.278   3.902   1.241  1.00  0.00           C  
HETATM   10  C   UNK     1       1.056   4.536   2.588  1.00  0.00           C  
HETATM   11  O   UNK     1       1.439   5.837   2.619  1.00  0.00           O  
HETATM   12  O   UNK     1       0.579   3.950   3.552  1.00  0.00           O  
HETATM   13  O   UNK     1       0.208  -0.605  -2.593  1.00  0.00           O  
HETATM   14  H   UNK     1       1.117  -2.104  -0.627  1.00  0.00           H  
HETATM   15  H   UNK     1       0.125  -0.356  -3.538  1.00  0.00           H  
HETATM   16  H   UNK     1       3.758  -1.236  -1.098  1.00  0.00           H  
HETATM   17  H   UNK     1       3.225  -2.090   0.331  1.00  0.00           H  
HETATM   18  H   UNK     1       1.217  -0.414   1.214  1.00  0.00           H  
HETATM   19  H   UNK     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   20  H   UNK     1       0.691   4.466   0.507  1.00  0.00           H  
HETATM   21  H   UNK     1       2.337   4.021   0.985  1.00  0.00           H  
HETATM   22  H   UNK     1       1.306   6.287   3.481  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    2    4    5   14                                       
CONECT    4    3   16   17                                            
CONECT    5    3    6   18   19                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   20   21                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   22                                                 
CONECT   12   10   10                                                 
CONECT   13    2   15                                                 
CONECT   14    3                                                      
CONECT   15   13                                                      
CONECT   16    4                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    9                                                      
CONECT   21    9                                                      
CONECT   22   11                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
