COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.102   0.001  -3.278  1.00  0.00           C  
HETATM    2  O   UNL     1       0.901   0.673  -3.317  1.00  0.00           O  
HETATM    3  O   UNL     1      -0.682  -0.405  -4.418  1.00  0.00           O  
HETATM    4  O   UNL     1       0.128  -0.998   3.534  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.702  -0.380  -1.949  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.213   0.023   2.988  1.00  0.00           C  
HETATM    7  CA  UNL     1       0.386   0.404   1.659  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.462  -0.181   0.529  1.00  0.00           C  
HETATM    9  C   UNL     1       0.146   0.206  -0.819  1.00  0.00           C  
HETATM   10  N   UNL     1       1.754  -0.124   1.569  1.00  0.00           N  
HETATM   11  OXT UNL     1      -1.127   0.819   3.565  1.00  0.00           O  
HETATM   12  H   UNL     1      -0.298  -0.160  -5.271  1.00  0.00           H  
HETATM   13  H   UNL     1      -0.726  -1.466  -1.860  1.00  0.00           H  
HETATM   14  H   UNL     1      -1.716   0.012  -1.882  1.00  0.00           H  
HETATM   15  HA  UNL     1       0.410   1.491   1.569  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.486  -1.267   0.618  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.477   0.211   0.596  1.00  0.00           H  
HETATM   18  H   UNL     1       0.170   1.292  -0.909  1.00  0.00           H  
HETATM   19  H   UNL     1       1.161  -0.186  -0.886  1.00  0.00           H  
HETATM   20  H1  UNL     1       1.683  -1.126   1.656  1.00  0.00           H  
HETATM   21  H2  UNL     1       2.076   0.063   0.631  1.00  0.00           H  
HETATM   22  HXT UNL     1      -1.512   0.574   4.417  1.00  0.00           H  
CONECT    1    2    2    3    5                                       
CONECT    2    1    1                                                 
CONECT    3    1   12                                                 
CONECT    4    6    6                                                 
CONECT    5    1    9   13   14                                       
CONECT    6    4    4    7   11                                       
CONECT    7    6    8   10   15                                       
CONECT    8    7    9   16   17                                       
CONECT    9    5    8   18   19                                       
CONECT   10    7   20   21                                            
CONECT   11    6   22                                                 
CONECT   12    3                                                      
CONECT   13    5                                                      
CONECT   14    5                                                      
CONECT   15    7                                                      
CONECT   16    8                                                      
CONECT   17    8                                                      
CONECT   18    9                                                      
CONECT   19    9                                                      
CONECT   20   10                                                      
CONECT   21   10                                                      
CONECT   22   11                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
