COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.588   0.287   0.004  1.00  0.00           C  
HETATM    2  N   UNL     1       1.177   0.010  -0.002  1.00  0.00           N  
HETATM    3  O   UNL     1       3.353   1.472   0.012  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.455  -0.707  -0.005  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.282   1.373   0.003  1.00  0.00           N  
HETATM    6  OXT UNL     1       4.859  -0.145  -0.002  1.00  0.00           O  
HETATM    7  C   UNL     1       0.019  -0.678  -0.009  1.00  0.00           C  
HETATM    8  O   UNL     1       0.034  -1.894  -0.018  1.00  0.00           O  
HETATM    9  CA  UNL     1      -1.271   0.045  -0.006  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.462  -2.031  -0.023  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.406   2.054   0.006  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.634   1.408   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.675   0.026  -0.010  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.471  -0.674  -0.013  1.00  0.00           C  
HETATM   15  H   UNL     1       1.165   0.980   0.005  1.00  0.00           H  
HETATM   16  HA1 UNL     1       2.522  -1.326  -0.899  1.00  0.00           H  
HETATM   17  HA2 UNL     1       2.519  -1.339   0.881  1.00  0.00           H  
HETATM   18  HXT UNL     1       5.552   0.530   0.004  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.461  -2.430   0.858  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.373   3.133   0.014  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.550   1.981   0.004  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.619  -0.499  -0.015  1.00  0.00           H  
CONECT    1    3    3    6    4                                       
CONECT    2    4    7   15                                            
CONECT    3    1    1                                                 
CONECT    4    1    2   16   17                                       
CONECT    5    9    9   11                                            
CONECT    6    1   18                                                 
CONECT    7    2    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    5    5    7   14                                       
CONECT   10   14   19                                                 
CONECT   11    5   12   12   20                                       
CONECT   12   11   11   13   21                                       
CONECT   13   12   14   14   22                                       
CONECT   14    9   10   13   13                                       
CONECT   15    2                                                      
CONECT   16    4                                                      
CONECT   17    4                                                      
CONECT   18    6                                                      
CONECT   19   10                                                      
CONECT   20   11                                                      
CONECT   21   12                                                      
CONECT   22   13                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
