COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.068  -1.817  -0.175  1.00  0.00           C  
HETATM    2  C   UNL     1       3.286  -1.233   0.175  1.00  0.00           C  
HETATM    3  C   UNL     1       3.400   0.114   0.328  1.00  0.00           C  
HETATM    4  C   UNL     1       2.277   0.937   0.131  1.00  0.00           C  
HETATM    5  C   UNL     1       1.318   3.036   0.091  1.00  0.00           C  
HETATM    6  C   UNL     1       0.074   2.516  -0.260  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.082   1.169  -0.421  1.00  0.00           C  
HETATM    8  C   UNL     1       1.041   0.343  -0.225  1.00  0.00           C  
HETATM    9  C   UNL     1       0.959  -1.050  -0.379  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.543  -0.328   0.094  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.423  -0.953   1.105  1.00  0.00           N  
HETATM   12  O   UNL     1      -3.772  -1.511  -0.001  1.00  0.00           O  
HETATM   13  F   UNL     1       1.987  -3.158  -0.319  1.00  0.00           F  
HETATM   14  N   UNL     1       2.361   2.263   0.274  1.00  0.00           N  
HETATM   15  CA  UNL     1      -2.159   0.143   0.462  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.418   0.584  -0.801  1.00  0.00           C  
HETATM   17  H   UNL     1       4.151  -1.861   0.328  1.00  0.00           H  
HETATM   18  H   UNL     1       4.350   0.550   0.600  1.00  0.00           H  
HETATM   19  H   UNL     1       1.426   4.103   0.216  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.767   3.179  -0.404  1.00  0.00           H  
HETATM   21  H   UNL     1       0.021  -1.512  -0.650  1.00  0.00           H  
HETATM   22  H1  UNL     1      -1.857  -1.219   1.976  1.00  0.00           H  
HETATM   23  H2  UNL     1      -1.340  -1.746   0.486  1.00  0.00           H  
HETATM   24  HA  UNL     1      -2.234   0.984   1.152  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.008   1.335  -1.326  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.265  -0.277  -1.452  1.00  0.00           H  
HETATM   27  OXT UNL     1      -4.519   0.565  -0.127  1.00  0.00           O  
HETATM   28  HXT UNL     1      -5.390   0.215  -0.360  1.00  0.00           H  
CONECT    1    2    2    9   13                                       
CONECT    2    3    1    1   17                                       
CONECT    3    4    4    2   18                                       
CONECT    4   14    3    3    8                                       
CONECT    5   14   14    6   19                                       
CONECT    6    5    7    7   20                                       
CONECT    7    6    6    8   16                                       
CONECT    8    4    7    9    9                                       
CONECT    9    8    8    1   21                                       
CONECT   10   15   12   12   27                                       
CONECT   11   15   22   23                                            
CONECT   12   10   10                                                 
CONECT   13    1                                                      
CONECT   14    5    5    4                                            
CONECT   15   16   10   11   24                                       
CONECT   16    7   15   25   26                                       
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    9                                                      
CONECT   22   11                                                      
CONECT   23   11                                                      
CONECT   24   15                                                      
CONECT   25   16                                                      
CONECT   26   16                                                      
CONECT   27   10   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
