COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.336   1.672  -1.439  1.00  0.00           C  
HETATM    2  O   UNL     1       7.036   1.270  -1.002  1.00  0.00           O  
HETATM    3  C   UNL     1       6.973   0.910   0.380  1.00  0.00           C  
HETATM    4  C   UNL     1       5.597   0.515   0.722  1.00  0.00           C  
HETATM    5  C   UNL     1       4.500   0.199   0.994  1.00  0.00           C  
HETATM    6  C   UNL     1       3.161  -0.185   1.327  1.00  0.00           C  
HETATM    7  C   UNL     1       2.849  -0.581   2.628  1.00  0.00           C  
HETATM    8  C   UNL     1       1.557  -0.950   2.942  1.00  0.00           C  
HETATM    9  C   UNL     1       0.573  -0.929   1.970  1.00  0.00           C  
HETATM   10  C   UNL     1       0.876  -0.538   0.679  1.00  0.00           C  
HETATM   11  C   UNL     1       2.163  -0.161   0.353  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.202  -0.519  -0.374  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.242  -1.569  -0.085  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.032  -1.701   0.919  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.981  -2.821   0.943  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.400  -4.027   0.203  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.047  -3.630  -1.238  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.192  -2.435  -1.163  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.262  -2.000  -2.064  1.00  0.00           C  
HETATM   20  N   UNL     1       0.345  -0.916  -1.683  1.00  0.00           N  
HETATM   21  N   UNL     1       0.005  -2.643  -3.249  1.00  0.00           N  
HETATM   22  F   UNL     1      -3.344  -5.060   0.183  1.00  0.00           F  
HETATM   23  F   UNL     1      -1.246  -4.465   0.861  1.00  0.00           F  
HETATM   24  C   UNL     1      -0.837   0.846  -0.454  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.311   1.803  -1.302  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.890   3.055  -1.377  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.001   3.351  -0.601  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.528   2.389   0.249  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.948   1.137   0.316  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.573   4.582  -0.673  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.714   4.816   0.155  1.00  0.00           C  
HETATM   32  F   UNL     1      -4.727   3.911  -0.180  1.00  0.00           F  
HETATM   33  F   UNL     1      -3.360   4.644   1.497  1.00  0.00           F  
HETATM   34  H   UNL     1       8.660   2.541  -0.865  1.00  0.00           H  
HETATM   35  H   UNL     1       9.040   0.854  -1.287  1.00  0.00           H  
HETATM   36  H   UNL     1       8.300   1.929  -2.498  1.00  0.00           H  
HETATM   37  H   UNL     1       7.649   0.076   0.569  1.00  0.00           H  
HETATM   38  H   UNL     1       7.269   1.763   0.991  1.00  0.00           H  
HETATM   39  H   UNL     1       3.616  -0.599   3.388  1.00  0.00           H  
HETATM   40  H   UNL     1       2.397   0.148  -0.655  1.00  0.00           H  
HETATM   41  H   UNL     1       1.314  -1.257   3.949  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.437  -1.219   2.221  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.187  -3.097   1.977  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.910  -2.516   0.462  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.508  -4.442  -1.726  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.957  -3.401  -1.794  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.478  -3.451  -3.482  1.00  0.00           H  
HETATM   48  H   UNL     1       0.678  -2.289  -3.852  1.00  0.00           H  
HETATM   49  H   UNL     1       0.555   1.572  -1.905  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.360   0.386   0.974  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.479   3.802  -2.039  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.392   2.617   0.854  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.072   5.834   0.001  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   37   38                                       
CONECT    4    3    5    5    5                                       
CONECT    5    4    4    4    6                                       
CONECT    6    5    7   11   11                                       
CONECT    7    6    8    8   39                                       
CONECT    8    7    7    9   41                                       
CONECT    9    8   10   10   42                                       
CONECT   10    9    9   11   12                                       
CONECT   11    6    6   10   40                                       
CONECT   12   10   13   20   24                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   43   44                                       
CONECT   16   15   17   22   23                                       
CONECT   17   16   18   45   46                                       
CONECT   18   13   17   19                                            
CONECT   19   18   20   20   21                                       
CONECT   20   12   19   19                                            
CONECT   21   19   47   48                                            
CONECT   22   16                                                      
CONECT   23   16                                                      
CONECT   24   12   25   29   29                                       
CONECT   25   24   26   26   49                                       
CONECT   26   25   25   27   51                                       
CONECT   27   26   28   28   30                                       
CONECT   28   27   27   29   52                                       
CONECT   29   24   24   28   50                                       
CONECT   30   27   31                                                 
CONECT   31   30   32   33   53                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    7                                                      
CONECT   40   11                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   25                                                      
CONECT   50   29                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
