COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -3.116   2.402  -0.670  1.00  0.00           F  
HETATM    2  C   UNL     1      -2.080   1.611  -0.317  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.317   0.321   0.163  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.707  -0.182   0.285  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.050  -1.423  -0.249  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.349  -1.887  -0.131  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.688  -3.096  -0.650  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.046  -3.513  -0.491  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.306  -1.118   0.518  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.966   0.113   1.048  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.672   0.582   0.939  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.781   2.074  -0.436  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.546   3.329  -0.908  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.489   4.384   0.054  1.00  0.00           C  
HETATM   15  C   UNL     1       0.286   1.255  -0.071  1.00  0.00           C  
HETATM   16  C   UNL     1       0.047  -0.025   0.411  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.245  -0.493   0.526  1.00  0.00           C  
HETATM   18  N   UNL     1       1.598   1.724  -0.190  1.00  0.00           N  
HETATM   19  C   UNL     1       2.671   0.854   0.019  1.00  0.00           C  
HETATM   20  C   UNL     1       2.632  -0.436  -0.494  1.00  0.00           C  
HETATM   21  C   UNL     1       3.695  -1.293  -0.285  1.00  0.00           C  
HETATM   22  C   UNL     1       4.797  -0.868   0.434  1.00  0.00           C  
HETATM   23  C   UNL     1       4.839   0.417   0.946  1.00  0.00           C  
HETATM   24  C   UNL     1       3.783   1.280   0.735  1.00  0.00           C  
HETATM   25  C   UNL     1       5.955  -1.806   0.660  1.00  0.00           C  
HETATM   26  N   UNL     1       6.922  -1.664  -0.437  1.00  0.00           N1+
HETATM   27  C   UNL     1       7.503  -0.315  -0.405  1.00  0.00           C  
HETATM   28  C   UNL     1       7.990  -2.660  -0.280  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.305  -2.020  -0.753  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.181  -4.492  -0.950  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.287  -3.572   0.570  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.706  -2.792  -0.974  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.319  -1.480   0.606  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.713   0.708   1.552  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.409   1.544   1.354  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.440   4.444   0.585  1.00  0.00           H  
HETATM   37  H   UNL     1       0.312   4.184   0.766  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.297   5.329  -0.454  1.00  0.00           H  
HETATM   39  H   UNL     1       0.876  -0.658   0.693  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.428  -1.490   0.898  1.00  0.00           H  
HETATM   41  H   UNL     1       1.763   2.652  -0.419  1.00  0.00           H  
HETATM   42  H   UNL     1       1.772  -0.769  -1.055  1.00  0.00           H  
HETATM   43  H   UNL     1       3.665  -2.296  -0.684  1.00  0.00           H  
HETATM   44  H   UNL     1       5.702   0.745   1.507  1.00  0.00           H  
HETATM   45  H   UNL     1       3.819   2.285   1.131  1.00  0.00           H  
HETATM   46  H   UNL     1       6.440  -1.563   1.606  1.00  0.00           H  
HETATM   47  H   UNL     1       5.590  -2.832   0.692  1.00  0.00           H  
HETATM   48  H   UNL     1       6.454  -1.808  -1.319  1.00  0.00           H  
HETATM   49  H   UNL     1       8.009  -0.159   0.547  1.00  0.00           H  
HETATM   50  H   UNL     1       8.221  -0.209  -1.219  1.00  0.00           H  
HETATM   51  H   UNL     1       6.711   0.425  -0.522  1.00  0.00           H  
HETATM   52  H   UNL     1       7.558  -3.661  -0.303  1.00  0.00           H  
HETATM   53  H   UNL     1       8.707  -2.555  -1.094  1.00  0.00           H  
HETATM   54  H   UNL     1       8.495  -2.504   0.673  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1   12   12                                       
CONECT    3    4   17   17    2                                       
CONECT    4   11   11    5    3                                       
CONECT    5    6    6    4   29                                       
CONECT    6    9    7    5    5                                       
CONECT    7    8    6                                                 
CONECT    8    7   30   31   32                                       
CONECT    9   10   10    6   33                                       
CONECT   10    9    9   11   34                                       
CONECT   11   10    4    4   35                                       
CONECT   12    2    2   15   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   36   37   38                                       
CONECT   15   16   16   12   18                                       
CONECT   16   17   15   15   39                                       
CONECT   17    3    3   16   40                                       
CONECT   18   15   19   41                                            
CONECT   19   20   18   24   24                                       
CONECT   20   21   21   19   42                                       
CONECT   21   20   20   22   43                                       
CONECT   22   21   25   23   23                                       
CONECT   23   22   22   24   44                                       
CONECT   24   19   19   23   45                                       
CONECT   25   22   26   46   47                                       
CONECT   26   25   27   28   48                                       
CONECT   27   26   49   50   51                                       
CONECT   28   26   52   53   54                                       
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
