COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.120   1.081  -1.026  1.00  0.00           N  
HETATM    2  CA  UNL     1      -2.864  -0.056  -0.468  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.275   0.372  -0.158  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.537   1.544  -0.029  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.181  -0.531   0.816  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.814  -1.072   0.487  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.496  -2.357   0.265  1.00  0.00           C  
HETATM    8  C   UNL     1       0.420  -0.294   0.343  1.00  0.00           C  
HETATM    9  N   UNL     1       0.841  -2.467  -0.004  1.00  0.00           N  
HETATM   10  C   UNL     1       1.431  -1.222   0.037  1.00  0.00           C  
HETATM   11  C   UNL     1       0.727   1.065   0.449  1.00  0.00           C  
HETATM   12  C   UNL     1       2.735  -0.774  -0.161  1.00  0.00           C  
HETATM   13  C   UNL     1       2.022   1.489   0.250  1.00  0.00           C  
HETATM   14  C   UNL     1       3.023   0.572  -0.055  1.00  0.00           C  
HETATM   15  F   UNL     1       3.715  -1.655  -0.456  1.00  0.00           F  
HETATM   16  F   UNL     1       4.290   1.002  -0.247  1.00  0.00           F  
HETATM   17  F   UNL     1       2.322   2.803   0.351  1.00  0.00           F  
HETATM   18  H1  UNL     1      -2.513   1.373  -1.909  1.00  0.00           H  
HETATM   19  H2  UNL     1      -2.089   1.849  -0.373  1.00  0.00           H  
HETATM   20  HA  UNL     1      -2.881  -0.869  -1.193  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.084   0.307   1.507  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.781  -1.315   1.278  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.193  -3.182   0.294  1.00  0.00           H  
HETATM   24  H   UNL     1       1.304  -3.298  -0.197  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.048   1.779   0.684  1.00  0.00           H  
HETATM   26  OXT UNL     1      -5.242  -0.550  -0.025  1.00  0.00           O  
HETATM   27  HXT UNL     1      -6.131  -0.228   0.174  1.00  0.00           H  
CONECT    1    2   18   19                                            
CONECT    2    5    3    1   20                                       
CONECT    3    4    4    2   26                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   21   22                                       
CONECT    6    5    8    7    7                                       
CONECT    7    6    6    9   23                                       
CONECT    8   11    6   10   10                                       
CONECT    9   10    7   24                                            
CONECT   10    8    8   12    9                                       
CONECT   11   13   13    8   25                                       
CONECT   12   14   14   10   15                                       
CONECT   13   17   11   11   14                                       
CONECT   14   13   16   12   12                                       
CONECT   15   12                                                      
CONECT   16   14                                                      
CONECT   17   13                                                      
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    7                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26    3   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
