COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.340   0.466  -0.019  1.00  0.00           C  
HETATM    2  N   UNL     1       0.134   1.370   0.388  1.00  0.00           N  
HETATM    3  O   UNL     1       2.503   1.380  -0.793  1.00  0.00           O  
HETATM    4  CA  UNL     1       0.966   0.183   0.533  1.00  0.00           C  
HETATM    5  C   UNL     1       0.352  -0.997  -0.221  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.119  -1.131   0.191  1.00  0.00           C  
HETATM    7  O   UNL     1       1.054  -2.197   0.110  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.147   1.345   0.021  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.188   0.116   0.245  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.752   2.396  -0.027  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.883   0.085  -0.337  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.669  -2.325  -0.369  1.00  0.00           O  
HETATM   13  OXT UNL     1       3.380  -0.300   0.344  1.00  0.00           O  
HETATM   14  H   UNL     1       0.537   2.233   0.574  1.00  0.00           H  
HETATM   15  HA  UNL     1       1.049  -0.073   1.590  1.00  0.00           H  
HETATM   16  H   UNL     1       0.418  -0.819  -1.295  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.193  -1.168   1.278  1.00  0.00           H  
HETATM   18  H   UNL     1       1.995  -2.176  -0.113  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.732   0.859  -0.050  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.972   0.014  -1.421  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.598  -2.472  -0.147  1.00  0.00           H  
HETATM   22  HXT UNL     1       4.242  -0.080  -0.036  1.00  0.00           H  
CONECT    1    3    3   13    4                                       
CONECT    2    8    4   14                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   15                                       
CONECT    5    4    7    6   16                                       
CONECT    6    5   11   12   17                                       
CONECT    7    5   18                                                 
CONECT    8    2   10   10   11                                       
CONECT    9   11   19                                                 
CONECT   10    8    8                                                 
CONECT   11    6    8    9   20                                       
CONECT   12    6   21                                                 
CONECT   13    1   22                                                 
CONECT   14    2                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    9                                                      
CONECT   20   11                                                      
CONECT   21   12                                                      
CONECT   22   13                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
