COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.879   1.788  -0.263  1.00  0.00           N  
HETATM    2  CA  UNL     1       2.822   0.470   0.383  1.00  0.00           C  
HETATM    3  C   UNL     1       4.062  -0.314   0.039  1.00  0.00           C  
HETATM    4  O   UNL     1       4.722  -0.007  -0.926  1.00  0.00           O  
HETATM    5  C   UNL     1       1.587  -0.287  -0.111  1.00  0.00           C  
HETATM    6  C   UNL     1       0.323   0.444   0.347  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.911  -0.312  -0.147  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.121   0.388   0.292  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.356  -0.107  -0.035  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.600   0.613   0.416  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.454  -1.193  -0.730  1.00  0.00           N  
HETATM   12  F   UNL     1      -5.729  -0.079  -0.035  1.00  0.00           F  
HETATM   13  H1  UNL     1       3.650   2.332   0.094  1.00  0.00           H  
HETATM   14  HA  UNL     1       2.761   0.598   1.464  1.00  0.00           H  
HETATM   15  H   UNL     1       1.603  -0.338  -1.199  1.00  0.00           H  
HETATM   16  H   UNL     1       1.591  -1.297   0.300  1.00  0.00           H  
HETATM   17  H   UNL     1       0.307   0.495   1.436  1.00  0.00           H  
HETATM   18  H   UNL     1       0.319   1.454  -0.063  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.895  -0.363  -1.235  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.907  -1.322   0.264  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.048   1.202   0.814  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.616   0.663   1.505  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.605   1.623   0.006  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.328  -1.544  -0.962  1.00  0.00           H  
HETATM   25  H2  UNL     1       2.936   1.696  -1.266  1.00  0.00           H  
HETATM   26  OXT UNL     1       4.434  -1.352   0.804  1.00  0.00           O  
HETATM   27  HXT UNL     1       5.236  -1.824   0.543  1.00  0.00           H  
CONECT    1    2   13   25                                            
CONECT    2    1    3   14    5                                       
CONECT    3    2    4    4   26                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   15   16                                       
CONECT    6    5    7   17   18                                       
CONECT    7    6    8   19   20                                       
CONECT    8    7   21    9                                            
CONECT    9    8   11   11   10                                       
CONECT   10    9   12   22   23                                       
CONECT   11    9    9   24                                            
CONECT   12   10                                                      
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    5                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19    7                                                      
CONECT   20    7                                                      
CONECT   21    8                                                      
CONECT   22   10                                                      
CONECT   23   10                                                      
CONECT   24   11                                                      
CONECT   25    1                                                      
CONECT   26    3   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
