COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.129  -0.169   0.176  1.00  0.00           C  
HETATM    2  O   UNL     1       4.880   0.771   0.068  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.562   1.384  -0.387  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.206   1.280  -0.639  1.00  0.00           C  
HETATM    5  C   UNL     1       1.889  -0.068  -0.882  1.00  0.00           C  
HETATM    6  CA  UNL     1       2.662   0.065   0.431  1.00  0.00           C  
HETATM    7  N   UNL     1       2.469   1.414   0.979  1.00  0.00           N  
HETATM    8  C   UNL     1       0.411   0.044  -0.609  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.327  -1.091  -0.328  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.685  -0.988  -0.076  1.00  0.00           C  
HETATM   11  F   UNL     1      -2.407  -2.096   0.199  1.00  0.00           F  
HETATM   12  C   UNL     1      -2.300   0.252  -0.101  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.751   0.364   0.168  1.00  0.00           N1+
HETATM   14  O   UNL     1      -4.404  -0.635   0.412  1.00  0.00           O1-
HETATM   15  O   UNL     1      -4.293   1.455   0.146  1.00  0.00           O  
HETATM   16  H   UNL     1      -2.042   2.351  -0.411  1.00  0.00           H  
HETATM   17  H   UNL     1       0.371   2.166  -0.859  1.00  0.00           H  
HETATM   18  H   UNL     1       2.193   0.726  -1.564  1.00  0.00           H  
HETATM   19  H   UNL     1       2.102  -1.036  -1.334  1.00  0.00           H  
HETATM   20  HA  UNL     1       2.295  -0.673   1.145  1.00  0.00           H  
HETATM   21  H1  UNL     1       2.801   2.116   0.336  1.00  0.00           H  
HETATM   22  H2  UNL     1       1.501   1.572   1.219  1.00  0.00           H  
HETATM   23  H   UNL     1       0.155  -2.057  -0.305  1.00  0.00           H  
HETATM   24  OXT UNL     1       4.599  -1.421   0.064  1.00  0.00           O  
HETATM   25  HXT UNL     1       5.547  -1.521  -0.103  1.00  0.00           H  
CONECT    1    6    2    2   24                                       
CONECT    2    1    1                                                 
CONECT    3   12   12    4   16                                       
CONECT    4    8    8    3   17                                       
CONECT    5    6    8   18   19                                       
CONECT    6    7    1    5   20                                       
CONECT    7    6   21   22                                            
CONECT    8    9    5    4    4                                       
CONECT    9   10   10    8   23                                       
CONECT   10   11    9    9   12                                       
CONECT   11   10                                                      
CONECT   12   10   13    3    3                                       
CONECT   13   14   12   15   15                                       
CONECT   14   13                                                      
CONECT   15   13   13                                                 
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    9                                                      
CONECT   24    1   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
