COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -5.044   1.171   0.175  1.00  0.00           F  
HETATM    2  C   UNL     1      -4.343   0.374  -0.736  1.00  0.00           C  
HETATM    3  F   UNL     1      -4.992   0.353  -1.975  1.00  0.00           F  
HETATM    4  C   UNL     1      -4.162  -1.064  -0.182  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.923  -0.894   0.731  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.218  -2.214   0.910  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.077  -2.345   0.536  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.859  -3.245   1.484  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.890   0.872  -0.890  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.052   0.061   0.013  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.316   0.914   0.955  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.150   1.588   0.228  1.00  0.00           C  
HETATM   13  C   UNL     1       0.856   0.526  -0.217  1.00  0.00           C  
HETATM   14  C   UNL     1       0.537   2.576   1.173  1.00  0.00           C  
HETATM   15  C   UNL     1       1.698   3.253   0.443  1.00  0.00           C  
HETATM   16  C   UNL     1       2.705   2.196  -0.010  1.00  0.00           C  
HETATM   17  C   UNL     1       2.021   1.198  -0.948  1.00  0.00           C  
HETATM   18  C   UNL     1       3.255   1.450   1.207  1.00  0.00           C  
HETATM   19  N   UNL     1       4.218   0.434   0.764  1.00  0.00           N  
HETATM   20  CA  UNL     1       3.580  -0.561  -0.108  1.00  0.00           C  
HETATM   21  C   UNL     1       3.037   0.129  -1.362  1.00  0.00           C  
HETATM   22  C   UNL     1       4.593  -1.603  -0.506  1.00  0.00           C  
HETATM   23  O   UNL     1       5.773  -1.359  -0.426  1.00  0.00           O  
HETATM   24  OXT UNL     1       4.183  -2.801  -0.951  1.00  0.00           O  
HETATM   25  H   UNL     1      -5.034  -1.371   0.396  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.961  -1.770  -0.987  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.217  -0.488   1.699  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.366  -4.071   1.577  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.560   0.740  -1.921  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.826   1.923  -0.610  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.985   1.676   1.355  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.930   0.304   1.772  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.526   2.122  -0.645  1.00  0.00           H  
HETATM   34  H   UNL     1       1.234  -0.005   0.657  1.00  0.00           H  
HETATM   35  H   UNL     1       0.366  -0.180  -0.887  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.181   3.332   1.494  1.00  0.00           H  
HETATM   37  H   UNL     1       0.916   2.042   2.045  1.00  0.00           H  
HETATM   38  H   UNL     1       1.317   3.788  -0.427  1.00  0.00           H  
HETATM   39  H   UNL     1       2.189   3.957   1.115  1.00  0.00           H  
HETATM   40  H   UNL     1       3.526   2.681  -0.539  1.00  0.00           H  
HETATM   41  H   UNL     1       1.649   1.712  -1.834  1.00  0.00           H  
HETATM   42  H   UNL     1       3.752   2.156   1.872  1.00  0.00           H  
HETATM   43  H   UNL     1       2.435   0.967   1.738  1.00  0.00           H  
HETATM   44  H   UNL     1       4.664  -0.010   1.553  1.00  0.00           H  
HETATM   45  HA  UNL     1       2.759  -1.038   0.427  1.00  0.00           H  
HETATM   46  H   UNL     1       2.551  -0.608  -2.001  1.00  0.00           H  
HETATM   47  H   UNL     1       3.859   0.597  -1.904  1.00  0.00           H  
HETATM   48  HXT UNL     1       4.870  -3.437  -1.195  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1    9    4                                       
CONECT    3    2                                                      
CONECT    4    2    5   25   26                                       
CONECT    5    4   10    6   27                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   28                                                 
CONECT    9    2   10   29   30                                       
CONECT   10    9    5   11                                            
CONECT   11   10   12   31   32                                       
CONECT   12   13   11   14   33                                       
CONECT   13   17   12   34   35                                       
CONECT   14   12   15   36   37                                       
CONECT   15   16   14   38   39                                       
CONECT   16   17   15   18   40                                       
CONECT   17   21   13   16   41                                       
CONECT   18   16   19   42   43                                       
CONECT   19   20   18   44                                            
CONECT   20   21   22   19   45                                       
CONECT   21   17   20   46   47                                       
CONECT   22   23   23   20   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   48                                                 
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
