COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.726   1.271  -0.857  1.00  0.00           O  
HETATM    2  C   UNL     1       1.946   1.118   0.059  1.00  0.00           C  
HETATM    3  OXT UNL     1       2.360   1.277   1.331  1.00  0.00           O  
HETATM    4  CA  UNL     1       0.533   0.762  -0.221  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.350   1.755  -0.421  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.641   1.547  -0.426  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.135   0.183  -0.181  1.00  0.00           C  
HETATM    8  S   UNL     1      -3.564  -0.081   0.486  1.00  0.00           S  
HETATM    9  C   UNL     1      -1.227  -0.959  -0.591  1.00  0.00           C  
HETATM   10  C   UNL     1       0.193  -0.553  -0.269  1.00  0.00           C  
HETATM   11  C   UNL     1       1.206  -1.581  -0.003  1.00  0.00           C  
HETATM   12  O   UNL     1       0.900  -2.885  -0.156  1.00  0.00           O  
HETATM   13  O   UNL     1       2.322  -1.257   0.355  1.00  0.00           O  
HETATM   14  HXT UNL     1       3.289   1.512   1.463  1.00  0.00           H  
HETATM   15  H   UNL     1      -2.329   2.359  -0.606  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.491  -1.859  -0.036  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.323  -1.143  -1.661  1.00  0.00           H  
HETATM   18  H   UNL     1       1.600  -3.526   0.031  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   14                                                 
CONECT    4    2    5   10   10                                       
CONECT    5    6    6    4                                            
CONECT    6    5    5    7   15                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   16   17                                       
CONECT   10    4    4    9   11                                       
CONECT   11   10   13   13   12                                       
CONECT   12   11   18                                                 
CONECT   13   11   11                                                 
CONECT   14    3                                                      
CONECT   15    6                                                      
CONECT   16    9                                                      
CONECT   17    9                                                      
CONECT   18   12                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
