COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       1.728   0.372   0.046  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.308   1.608   0.459  1.00  0.00           N  
HETATM    3  OXT UNL     1       1.986   1.216  -0.779  1.00  0.00           O  
HETATM    4  CA  UNL     1       0.355   0.317   0.664  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.423  -0.860   0.044  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.789   1.448   0.428  1.00  0.00           C  
HETATM    7  C   UNL     1       0.379  -1.495  -1.094  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.761  -1.904   1.110  1.00  0.00           C  
HETATM    9  S   UNL     1      -1.953  -0.072  -0.598  1.00  0.00           S  
HETATM   10  O   UNL     1       2.663  -0.521   0.407  1.00  0.00           O  
HETATM   11  H   UNL     1      -0.031   2.273   1.166  1.00  0.00           H  
HETATM   12  HA  UNL     1       0.459   0.141   1.735  1.00  0.00           H  
HETATM   13  H   UNL     1      -2.188   1.290   1.430  1.00  0.00           H  
HETATM   14  H   UNL     1      -2.267   2.301  -0.053  1.00  0.00           H  
HETATM   15  H   UNL     1       1.329  -1.864  -0.708  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.188  -2.324  -1.519  1.00  0.00           H  
HETATM   17  H   UNL     1       0.566  -0.749  -1.867  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.374  -1.445   1.886  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.309  -2.727   0.652  1.00  0.00           H  
HETATM   20  H   UNL     1       0.161  -2.283   1.552  1.00  0.00           H  
HETATM   21  H   UNL     1       3.529  -0.445  -0.017  1.00  0.00           H  
CONECT    1    4   10    3    3                                       
CONECT    2   11    4    6                                            
CONECT    3    1    1                                                 
CONECT    4    1    2   12    5                                       
CONECT    5    4    8    7    9                                       
CONECT    6    2   13   14    9                                       
CONECT    7    5   15   16   17                                       
CONECT    8    5   18   19   20                                       
CONECT    9    5    6                                                 
CONECT   10    1   21                                                 
CONECT   11    2                                                      
CONECT   12    4                                                      
CONECT   13    6                                                      
CONECT   14    6                                                      
CONECT   15    7                                                      
CONECT   16    7                                                      
CONECT   17    7                                                      
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20    8                                                      
CONECT   21   10                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
