COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.066  -0.296  -0.131  1.00  0.00           C  
HETATM    2  N   UNL     1       1.966  -1.209  -0.945  1.00  0.00           N  
HETATM    3  O   UNL     1       4.412  -1.436   0.066  1.00  0.00           O  
HETATM    4  O   UNL     1      -4.430  -1.566  -0.133  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.061   1.128  -0.510  1.00  0.00           O  
HETATM    6  CA  UNL     1       2.627   0.010  -0.458  1.00  0.00           C  
HETATM    7  C   UNL     1       1.913   0.510   0.799  1.00  0.00           C  
HETATM    8  C   UNL     1       0.510   0.931   0.446  1.00  0.00           C  
HETATM    9  C   UNL     1       0.101   2.174   0.150  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.664   0.059   0.355  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.242   2.172  -0.119  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.740   0.891  -0.002  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.872  -1.310   0.543  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.193  -1.023   0.026  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.009   0.338  -0.165  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.122  -1.838   0.379  1.00  0.00           C  
HETATM   17  OXT UNL     1       4.962   0.701  -0.053  1.00  0.00           O  
HETATM   18  H1  UNL     1       2.379  -1.523  -1.810  1.00  0.00           H  
HETATM   19  H2  UNL     1       1.992  -1.937  -0.246  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.961  -1.578   0.676  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.537   1.500   0.245  1.00  0.00           H  
HETATM   22  HA  UNL     1       2.585   0.778  -1.230  1.00  0.00           H  
HETATM   23  H   UNL     1       1.877  -0.290   1.539  1.00  0.00           H  
HETATM   24  H   UNL     1       2.455   1.362   1.210  1.00  0.00           H  
HETATM   25  H   UNL     1       0.736   3.047   0.127  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.046  -1.949   0.816  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.279  -2.896   0.525  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.764   2.953  -0.358  1.00  0.00           H  
HETATM   29  HXT UNL     1       5.872   0.456   0.163  1.00  0.00           H  
CONECT    1    3    3   17    6                                       
CONECT    2    6   18   19                                            
CONECT    3    1    1                                                 
CONECT    4   14   20                                                 
CONECT    5   15   21                                                 
CONECT    6    2    1   22    7                                       
CONECT    7    6   23   24    8                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8   25   11                                       
CONECT   10    8   12   13   13                                       
CONECT   11    9   28   12                                            
CONECT   12   10   11   15   15                                       
CONECT   13   10   10   26   16                                       
CONECT   14    4   16   16   15                                       
CONECT   15    5   14   12   12                                       
CONECT   16   14   14   13   27                                       
CONECT   17    1   29                                                 
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    9                                                      
CONECT   26   13                                                      
CONECT   27   16                                                      
CONECT   28   11                                                      
CONECT   29   17                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
