COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.135   1.236   1.091  1.00  0.00           N  
HETATM    2  C   UNL     1       0.517   1.516  -0.599  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.826   1.746  -0.376  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.206  -0.622  -0.247  1.00  0.00           C  
HETATM    5  C   UNL     1       0.137  -0.847  -0.482  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.014   0.901   0.021  1.00  0.00           O  
HETATM    7  C   UNL     1       4.645  -0.450   0.207  1.00  0.00           C  
HETATM    8  O   UNL     1       5.495   0.409   0.198  1.00  0.00           O  
HETATM    9  CA  UNL     1       3.203  -0.080   0.443  1.00  0.00           C  
HETATM   10  C   UNL     1       2.465  -0.028  -0.896  1.00  0.00           C  
HETATM   11  C   UNL     1       0.998   0.221  -0.652  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.692   0.677  -0.199  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.847  -0.248   0.194  1.00  0.00           C  
HETATM   14  F   UNL     1      -3.787  -1.044  -0.954  1.00  0.00           F  
HETATM   15  F   UNL     1      -3.402  -0.985   1.297  1.00  0.00           F  
HETATM   16  F   UNL     1      -5.167   0.162   0.409  1.00  0.00           F  
HETATM   17  H1  UNL     1       3.561   1.946   0.514  1.00  0.00           H  
HETATM   18  H2  UNL     1       2.182   1.479   1.318  1.00  0.00           H  
HETATM   19  H   UNL     1       1.192   2.348  -0.737  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.202   2.758  -0.338  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.878  -1.456  -0.111  1.00  0.00           H  
HETATM   22  H   UNL     1       0.516  -1.858  -0.519  1.00  0.00           H  
HETATM   23  HA  UNL     1       2.737  -0.826   1.086  1.00  0.00           H  
HETATM   24  H   UNL     1       2.873   0.778  -1.505  1.00  0.00           H  
HETATM   25  H   UNL     1       2.590  -0.977  -1.418  1.00  0.00           H  
HETATM   26  OXT UNL     1       4.985  -1.733   0.008  1.00  0.00           O  
HETATM   27  HXT UNL     1       5.922  -1.921  -0.139  1.00  0.00           H  
CONECT    1    9   17   18                                            
CONECT    2   11   11    3   19                                       
CONECT    3    2   12   12   20                                       
CONECT    4    5    5   12   21                                       
CONECT    5   11    4    4   22                                       
CONECT    6   12   13                                                 
CONECT    7    9    8    8   26                                       
CONECT    8    7    7                                                 
CONECT    9    1    7   10   23                                       
CONECT   10    9   11   24   25                                       
CONECT   11   10    2    2    5                                       
CONECT   12    3    3    4    6                                       
CONECT   13    6   14   15   16                                       
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   13                                                      
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26    7   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
