COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.806  -0.027   0.111  1.00  0.00           C  
HETATM    2  O   UNL     1       3.240  -0.768   0.961  1.00  0.00           O  
HETATM    3  CA  UNL     1       1.576  -0.414  -0.669  1.00  0.00           C  
HETATM    4  N   UNL     1       1.378  -1.867  -0.584  1.00  0.00           N  
HETATM    5  C   UNL     1       0.356   0.302  -0.085  1.00  0.00           C  
HETATM    6  O   UNL     1       0.495   1.712  -0.273  1.00  0.00           O  
HETATM    7  O   UNL     1      -0.826  -0.152  -0.748  1.00  0.00           O  
HETATM    8  S   UNL     1      -2.074  -0.122   0.121  1.00  0.00           S  
HETATM    9  O   UNL     1      -3.093  -0.784  -0.616  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.668  -0.527   1.421  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.506   1.333   0.239  1.00  0.00           O  
HETATM   12  OXT UNL     1       3.416   1.143  -0.135  1.00  0.00           O  
HETATM   13  HA  UNL     1       1.701  -0.124  -1.713  1.00  0.00           H  
HETATM   14  H1  UNL     1       1.259  -2.160   0.374  1.00  0.00           H  
HETATM   15  H2  UNL     1       0.597  -2.159  -1.151  1.00  0.00           H  
HETATM   16  H   UNL     1       0.282   0.083   0.980  1.00  0.00           H  
HETATM   17  H   UNL     1       0.567   1.980  -1.200  1.00  0.00           H  
HETATM   18  HXT UNL     1       4.202   1.347   0.391  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.299   1.465   0.777  1.00  0.00           H  
CONECT    1    2    2    3   12                                       
CONECT    2    1    1                                                 
CONECT    3    1    5    4   13                                       
CONECT    4    3   14   15                                            
CONECT    5    6    3    7   16                                       
CONECT    6    5   17                                                 
CONECT    7    5    8                                                 
CONECT    8    7   10   10    9                                       
CONECT    8    9   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   19                                                 
CONECT   12    1   18                                                 
CONECT   13    3                                                      
CONECT   14    4                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18   12                                                      
CONECT   19   11                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
