COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.904   1.377   0.343  1.00  0.00           C  
HETATM    2  N   UNL     1       0.544   0.638   0.276  1.00  0.00           N  
HETATM    3  O   UNL     1       2.061  -0.391  -0.975  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.897   1.589   0.357  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.848   0.470  -0.097  1.00  0.00           C  
HETATM    6  CA  UNL     1      -0.522  -0.236  -0.219  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.552  -1.523   0.608  1.00  0.00           C  
HETATM    8  C   UNL     1       0.746  -2.302   0.386  1.00  0.00           C  
HETATM    9  C   UNL     1       1.807   0.477  -0.166  1.00  0.00           C  
HETATM   10  OXT UNL     1      -2.974  -0.144  -0.493  1.00  0.00           O  
HETATM   11  H   UNL     1       2.488   2.089   1.056  1.00  0.00           H  
HETATM   12  H   UNL     1       3.668   0.775   0.834  1.00  0.00           H  
HETATM   13  H   UNL     1       3.349   1.917  -0.493  1.00  0.00           H  
HETATM   14  H   UNL     1       0.341   1.332   0.922  1.00  0.00           H  
HETATM   15  HA  UNL     1      -0.335  -0.481  -1.265  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.650  -1.274   1.664  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.400  -2.134   0.299  1.00  0.00           H  
HETATM   18  H   UNL     1       0.844  -2.552  -0.671  1.00  0.00           H  
HETATM   19  H   UNL     1       1.594  -1.691   0.695  1.00  0.00           H  
HETATM   20  H   UNL     1       0.725  -3.219   0.975  1.00  0.00           H  
HETATM   21  HXT UNL     1      -3.800   0.349  -0.395  1.00  0.00           H  
CONECT    1    9   11   12   13                                       
CONECT    2    6    9   14                                            
CONECT    3    9    9                                                 
CONECT    4    5    5                                                 
CONECT    5    6    4    4   10                                       
CONECT    6    7    2    5   15                                       
CONECT    7    8    6   16   17                                       
CONECT    8    7   18   19   20                                       
CONECT    9    2    1    3    3                                       
CONECT   10    5   21                                                 
CONECT   11    1                                                      
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    6                                                      
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
