COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.485  -3.523  -0.182  1.00  0.00           C  
HETATM    2  O   UNL     1       2.668  -3.366  -0.369  1.00  0.00           O  
HETATM    3  OXT UNL     1       1.033  -4.684   0.318  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.257   0.689  -0.059  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.661   1.939  -0.358  1.00  0.00           O  
HETATM    6  O   UNL     1      -5.076  -0.200   0.069  1.00  0.00           O  
HETATM    7  F   UNL     1       4.229   3.141   0.053  1.00  0.00           F  
HETATM    8  C   UNL     1       0.852   2.177  -0.860  1.00  0.00           C  
HETATM    9  C   UNL     1       2.086   2.795  -0.897  1.00  0.00           C  
HETATM   10  C   UNL     1       3.021   2.536   0.091  1.00  0.00           C  
HETATM   11  C   UNL     1       2.720   1.657   1.119  1.00  0.00           C  
HETATM   12  C   UNL     1       1.487   1.038   1.159  1.00  0.00           C  
HETATM   13  C   UNL     1       0.548   1.296   0.169  1.00  0.00           C  
HETATM   14  N   UNL     1       1.143  -1.477  -1.446  1.00  0.00           N  
HETATM   15  CA  UNL     1       0.517  -2.414  -0.503  1.00  0.00           C  
HETATM   16  C   UNL     1       0.147  -1.672   0.783  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.248  -0.856   0.429  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.913  -0.643   0.481  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.706   0.672   0.212  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.829   1.261   0.002  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.821   0.400   0.115  1.00  0.00           C  
HETATM   22  HXT UNL     1       1.692  -5.365   0.512  1.00  0.00           H  
HETATM   23  H   UNL     1      -5.612   2.080  -0.463  1.00  0.00           H  
HETATM   24  H   UNL     1       0.121   2.383  -1.628  1.00  0.00           H  
HETATM   25  H   UNL     1       2.323   3.481  -1.697  1.00  0.00           H  
HETATM   26  H   UNL     1       3.451   1.456   1.888  1.00  0.00           H  
HETATM   27  H   UNL     1       1.253   0.352   1.961  1.00  0.00           H  
HETATM   28  H1  UNL     1       1.979  -1.073  -1.053  1.00  0.00           H  
HETATM   29  H2  UNL     1       1.338  -1.927  -2.327  1.00  0.00           H  
HETATM   30  HA  UNL     1      -0.382  -2.835  -0.952  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.235  -2.383   1.515  1.00  0.00           H  
HETATM   32  H   UNL     1       1.031  -1.177   1.184  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.768  -1.790   0.589  1.00  0.00           H  
CONECT    1   15    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1   22                                                 
CONECT    4   21    6    6    5                                       
CONECT    5    4   23                                                 
CONECT    6    4    4                                                 
CONECT    7   10                                                      
CONECT    8    9   13   13   24                                       
CONECT    9   10   10    8   25                                       
CONECT   10    7    9    9   11                                       
CONECT   11   10   12   12   26                                       
CONECT   12   11   11   13   27                                       
CONECT   13    8    8   12   19                                       
CONECT   14   15   28   29                                            
CONECT   15   16   14    1   30                                       
CONECT   16   18   15   31   32                                       
CONECT   17   18   18   21   33                                       
CONECT   18   16   19   17   17                                       
CONECT   19   13   18   20                                            
CONECT   20   19   21   21                                            
CONECT   21   20   20   17    4                                       
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
CONECT   28   14                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
