COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.273   0.434   0.678  1.00  0.00           C  
HETATM    2  S   UNL     1       2.054  -0.416  -0.363  1.00  0.00           S  
HETATM    3  C   UNL     1       0.474   0.242   0.239  1.00  0.00           C  
HETATM    4  C   UNL     1       0.399   1.741  -0.060  1.00  0.00           C  
HETATM    5  CA  UNL     1      -0.679  -0.477  -0.463  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.991   0.070   0.037  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.464   1.229  -0.447  1.00  0.00           O  
HETATM    8  OXT UNL     1      -2.618  -0.536   0.874  1.00  0.00           O  
HETATM    9  N   UNL     1      -0.607  -1.916  -0.176  1.00  0.00           N  
HETATM   10  H   UNL     1       3.090   0.191   1.724  1.00  0.00           H  
HETATM   11  H   UNL     1       4.276   0.110   0.400  1.00  0.00           H  
HETATM   12  H   UNL     1       3.186   1.511   0.534  1.00  0.00           H  
HETATM   13  H   UNL     1       0.400   0.082   1.315  1.00  0.00           H  
HETATM   14  H   UNL     1       1.220   2.253   0.441  1.00  0.00           H  
HETATM   15  H   UNL     1       0.472   1.901  -1.135  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.550   2.136   0.302  1.00  0.00           H  
HETATM   17  HA  UNL     1      -0.605  -0.317  -1.539  1.00  0.00           H  
HETATM   18  H1  UNL     1      -0.673  -2.090   0.816  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.309   1.540  -0.096  1.00  0.00           H  
HETATM   20  H2  UNL     1      -1.319  -2.421  -0.681  1.00  0.00           H  
CONECT    1    2   10   11   12                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    5   13                                       
CONECT    4    3   14   15   16                                       
CONECT    5    3    6    9   17                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   19                                                 
CONECT    8    6    6                                                 
CONECT    9    5   18   20                                            
CONECT   10    1                                                      
CONECT   11    1                                                      
CONECT   12    1                                                      
CONECT   13    3                                                      
CONECT   14    4                                                      
CONECT   15    4                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    9                                                      
CONECT   19    7                                                      
CONECT   20    9                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
