COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.523  -1.609   0.929  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.524  -2.891   0.415  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.500  -3.274  -0.489  1.00  0.00           C  
HETATM    4  F   UNL     1      -3.502  -4.528  -0.992  1.00  0.00           F  
HETATM    5  C   UNL     1      -4.474  -2.370  -0.878  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.472  -1.088  -0.363  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.497  -0.707   0.541  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.498   0.690   1.106  1.00  0.00           C  
HETATM    9  CA  UNL     1      -2.657   1.603   0.212  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.758   3.023   0.708  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.764   3.613   1.058  1.00  0.00           O  
HETATM   12  OXT UNL     1      -3.953   3.632   0.761  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.258   1.171   0.252  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.436   1.452  -0.779  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.856   2.065  -1.741  1.00  0.00           O  
HETATM   16  CA  UNL     1       0.981   1.015  -0.740  1.00  0.00           C  
HETATM   17  N   UNL     1       1.434   0.346   0.312  1.00  0.00           N  
HETATM   18  C   UNL     1       2.706  -0.045   0.345  1.00  0.00           C  
HETATM   19  N   UNL     1       3.204  -0.725   1.395  1.00  0.00           N  
HETATM   20  C   UNL     1       4.455  -1.113   1.435  1.00  0.00           C  
HETATM   21  N   UNL     1       4.889  -1.801   2.538  1.00  0.00           N  
HETATM   22  N   UNL     1       5.345  -0.866   0.431  1.00  0.00           N  
HETATM   23  C   UNL     1       4.960  -0.190  -0.676  1.00  0.00           C  
HETATM   24  O   UNL     1       5.741   0.038  -1.579  1.00  0.00           O  
HETATM   25  C   UNL     1       3.556   0.258  -0.745  1.00  0.00           C  
HETATM   26  N   UNL     1       3.090   0.927  -1.791  1.00  0.00           N  
HETATM   27  C   UNL     1       1.828   1.305  -1.815  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.765  -1.312   1.638  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.763  -3.595   0.719  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.236  -2.667  -1.583  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.232  -0.382  -0.665  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.521   1.064   1.148  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.076   0.675   2.111  1.00  0.00           H  
HETATM   34  HA  UNL     1      -3.026   1.549  -0.812  1.00  0.00           H  
HETATM   35  HXT UNL     1      -3.968   4.542   1.085  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.923   0.682   1.019  1.00  0.00           H  
HETATM   37  H   UNL     1       4.276  -1.990   3.265  1.00  0.00           H  
HETATM   38  H   UNL     1       5.811  -2.100   2.591  1.00  0.00           H  
HETATM   39  H   UNL     1       6.260  -1.177   0.512  1.00  0.00           H  
HETATM   40  H   UNL     1       1.447   1.850  -2.666  1.00  0.00           H  
CONECT    1    2    2    7   28                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3                                                      
CONECT    5    3    3    6   30                                       
CONECT    6    7    7    5   31                                       
CONECT    7    1    8    6    6                                       
CONECT    8    7    9   32   33                                       
CONECT    9    8   10   13   34                                       
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   35                                                 
CONECT   13    9   14   36                                            
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   27   14   17   17                                       
CONECT   17   16   16   18                                            
CONECT   18   25   25   17   19                                       
CONECT   19   18   20   20                                            
CONECT   20   22   19   19   21                                       
CONECT   21   20   37   38                                            
CONECT   22   23   20   39                                            
CONECT   23   24   24   25   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   18   18                                       
CONECT   26   27   27   25                                            
CONECT   27   26   26   16   40                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   27                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
