COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.541   0.975   1.393  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.049   1.188   0.317  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.329   1.587   0.247  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.245   1.011  -0.945  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.848   0.567  -0.592  1.00  0.00           C  
HETATM    6  C   UNL     1       0.164   1.474  -0.467  1.00  0.00           C  
HETATM    7  CA  UNL     1       1.456   1.035  -0.137  1.00  0.00           C  
HETATM    8  C   UNL     1       2.546   2.029  -0.005  1.00  0.00           C  
HETATM    9  O   UNL     1       2.316   3.208  -0.181  1.00  0.00           O  
HETATM   10  N   UNL     1       1.722  -0.243   0.058  1.00  0.00           N  
HETATM   11  C   UNL     1       0.774  -1.170  -0.051  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.555  -0.793  -0.377  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.549  -1.777  -0.489  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.236  -3.088  -0.284  1.00  0.00           C  
HETATM   15  C   UNL     1       0.062  -3.473   0.037  1.00  0.00           C  
HETATM   16  C   UNL     1       1.066  -2.538   0.165  1.00  0.00           C  
HETATM   17  N   UNL     1       2.360  -2.937   0.486  1.00  0.00           N  
HETATM   18  H   UNL     1      -4.803   1.690   1.083  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.717   0.258  -1.574  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.200   1.958  -1.483  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.028   2.525  -0.622  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.562  -1.496  -0.736  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.007  -3.838  -0.372  1.00  0.00           H  
HETATM   24  H   UNL     1       0.284  -4.519   0.194  1.00  0.00           H  
HETATM   25  H   UNL     1       2.559  -3.877   0.620  1.00  0.00           H  
HETATM   26  H   UNL     1       3.064  -2.275   0.575  1.00  0.00           H  
HETATM   27  OXT UNL     1       3.791   1.625   0.311  1.00  0.00           O  
HETATM   28  HXT UNL     1       4.469   2.310   0.386  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   18                                                 
CONECT    4    2    5   19   20                                       
CONECT    5   12    6    6    4                                       
CONECT    6    7    5    5   21                                       
CONECT    7   10   10    6    8                                       
CONECT    8    7    9    9   27                                       
CONECT    9    8    8                                                 
CONECT   10   11    7    7                                            
CONECT   11   16   16   12   10                                       
CONECT   12   13   13   11    5                                       
CONECT   13   14   12   12   22                                       
CONECT   14   15   15   13   23                                       
CONECT   15   14   14   16   24                                       
CONECT   16   15   17   11   11                                       
CONECT   17   16   25   26                                            
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    6                                                      
CONECT   22   13                                                      
CONECT   23   14                                                      
CONECT   24   15                                                      
CONECT   25   17                                                      
CONECT   26   17                                                      
CONECT   27    8   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
