COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -5.932   0.772   2.226  1.00  0.00           F  
HETATM    2  C   UNL     1      -5.216   0.860   1.083  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.868   0.990  -0.137  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.226   1.028  -0.184  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.827   1.163  -1.473  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.130   1.080  -1.308  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.749   1.041  -1.258  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.835   0.827   1.127  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.102   0.912  -0.043  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.597   0.876   0.007  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.138  -0.512  -0.094  1.00  0.00           N  
HETATM   12  C   UNL     1       0.214  -0.796  -0.070  1.00  0.00           C  
HETATM   13  CA  UNL     1       0.642  -2.144  -0.059  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.365  -3.227  -0.072  1.00  0.00           C  
HETATM   15  OXT UNL     1       0.025  -4.510   0.055  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.543  -2.959  -0.196  1.00  0.00           O  
HETATM   17  N   UNL     1       1.926  -2.451  -0.037  1.00  0.00           N  
HETATM   18  C   UNL     1       2.836  -1.477  -0.025  1.00  0.00           C  
HETATM   19  C   UNL     1       4.216  -1.753  -0.002  1.00  0.00           C  
HETATM   20  C   UNL     1       5.104  -0.722   0.009  1.00  0.00           C  
HETATM   21  N   UNL     1       1.087   0.194  -0.064  1.00  0.00           N  
HETATM   22  C   UNL     1       2.395  -0.080  -0.037  1.00  0.00           C  
HETATM   23  C   UNL     1       3.364   0.936  -0.025  1.00  0.00           C  
HETATM   24  C   UNL     1       4.684   0.605  -0.003  1.00  0.00           C  
HETATM   25  C   UNL     1       5.716   1.703   0.010  1.00  0.00           C  
HETATM   26  F   UNL     1       5.537   2.498   1.147  1.00  0.00           F  
HETATM   27  F   UNL     1       6.996   1.138   0.032  1.00  0.00           F  
HETATM   28  F   UNL     1       5.574   2.490  -1.137  1.00  0.00           F  
HETATM   29  H   UNL     1      -8.912   1.181  -1.368  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.492   2.091  -1.935  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.537   0.319  -2.099  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.634   1.180  -2.257  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.175   1.111  -2.170  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.327   0.731   2.076  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.191   1.454  -0.823  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.254   1.304   0.949  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.784  -1.231  -0.178  1.00  0.00           H  
HETATM   38  HXT UNL     1      -0.670  -5.183   0.041  1.00  0.00           H  
HETATM   39  H   UNL     1       4.567  -2.774   0.007  1.00  0.00           H  
HETATM   40  H   UNL     1       6.162  -0.940   0.026  1.00  0.00           H  
HETATM   41  H   UNL     1       3.063   1.974  -0.033  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    8    8    3                                       
CONECT    3    2    4    6    6                                       
CONECT    4    3    5                                                 
CONECT    5    4   29   30   31                                       
CONECT    6    3    3    7   32                                       
CONECT    7    9    9    6   33                                       
CONECT    8    2    2    9   34                                       
CONECT    9    8   10    7    7                                       
CONECT   10   11    9   35   36                                       
CONECT   11   12   10   37                                            
CONECT   12   13   11   21   21                                       
CONECT   13   14   17   17   12                                       
CONECT   14   16   16   15   13                                       
CONECT   15   14   38                                                 
CONECT   16   14   14                                                 
CONECT   17   13   13   18                                            
CONECT   18   17   19   19   22                                       
CONECT   19   18   18   20   39                                       
CONECT   20   19   24   24   40                                       
CONECT   21   12   12   22                                            
CONECT   22   18   21   23   23                                       
CONECT   23   22   22   24   41                                       
CONECT   24   20   20   23   25                                       
CONECT   25   24   28   27   26                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   15                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
