COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.054   0.342  -0.497  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.241  -0.872   1.444  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.845  -0.558  -0.649  1.00  0.00           O  
HETATM    4  CA  UNL     1      -3.920   0.191   0.483  1.00  0.00           C  
HETATM    5  CB  UNL     1      -2.639  -0.173  -0.270  1.00  0.00           C  
HETATM    6  CD  UNL     1      -0.182  -0.568  -0.046  1.00  0.00           C  
HETATM    7  CE  UNL     1       0.994  -0.599   0.932  1.00  0.00           C  
HETATM    8  CG  UNL     1      -1.463  -0.204   0.708  1.00  0.00           C  
HETATM    9  CA  UNL     1       3.171  -0.095   0.114  1.00  0.00           C  
HETATM   10  C   UNL     1       2.984   1.305   0.640  1.00  0.00           C  
HETATM   11  C   UNL     1       4.456  -0.485  -0.515  1.00  0.00           C  
HETATM   12  N   UNL     1       2.220  -0.947   0.210  1.00  0.00           N  
HETATM   13  F   UNL     1       4.148   2.047   0.415  1.00  0.00           F  
HETATM   14  OXT UNL     1       4.623  -1.736  -0.985  1.00  0.00           O  
HETATM   15  O   UNL     1       5.357   0.323  -0.606  1.00  0.00           O  
HETATM   16  H1  UNL     1      -4.382  -1.754   0.974  1.00  0.00           H  
HETATM   17  H2  UNL     1      -3.525  -0.949   2.151  1.00  0.00           H  
HETATM   18  HA  UNL     1      -3.773   1.131   1.017  1.00  0.00           H  
HETATM   19  HB1 UNL     1      -2.755  -1.154  -0.731  1.00  0.00           H  
HETATM   20  HB2 UNL     1      -2.449   0.571  -1.044  1.00  0.00           H  
HETATM   21  HD1 UNL     1       0.008   0.176  -0.820  1.00  0.00           H  
HETATM   22  HD2 UNL     1      -0.298  -1.549  -0.506  1.00  0.00           H  
HETATM   23  HE1 UNL     1       1.110   0.382   1.392  1.00  0.00           H  
HETATM   24  HE2 UNL     1       0.804  -1.343   1.706  1.00  0.00           H  
HETATM   25  HG1 UNL     1      -1.347   0.777   1.168  1.00  0.00           H  
HETATM   26  HG2 UNL     1      -1.653  -0.948   1.481  1.00  0.00           H  
HETATM   27  H   UNL     1       2.147   1.777   0.126  1.00  0.00           H  
HETATM   28  H   UNL     1       2.778   1.267   1.710  1.00  0.00           H  
HETATM   29  HXT UNL     1       5.478  -1.943  -1.386  1.00  0.00           H  
HETATM   30  OXT UNL     1      -5.182   1.475  -1.206  1.00  0.00           O  
HETATM   31  HXT UNL     1      -5.923   1.524  -1.825  1.00  0.00           H  
CONECT    1    4    3    3   30                                       
CONECT    2    4   16   17                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   18                                       
CONECT    5    4    8   19   20                                       
CONECT    6    8    7   21   22                                       
CONECT    7    6   12   23   24                                       
CONECT    8    5    6   25   26                                       
CONECT    9   12   12   10   11                                       
CONECT   10    9   13   27   28                                       
CONECT   11    9   15   15   14                                       
CONECT   12    7    9    9                                            
CONECT   13   10                                                      
CONECT   14   11   29                                                 
CONECT   15   11   11                                                 
CONECT   16    2                                                      
CONECT   17    2                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   14                                                      
CONECT   30    1   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
