COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.236  -1.009  -0.274  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.157  -1.038  -0.522  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.839   0.198  -0.664  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.145   1.337  -0.560  1.00  0.00           N  
HETATM    5  N   UNL     1       1.832   0.172  -0.188  1.00  0.00           N  
HETATM    6  C   UNL     1       2.642   4.911   1.149  1.00  0.00           C  
HETATM    7  C   UNL     1       1.750   5.902   1.941  1.00  0.00           C  
HETATM    8  F   UNL     1       2.466   6.497   2.985  1.00  0.00           F  
HETATM    9  C   UNL     1       1.392   6.942   0.851  1.00  0.00           C  
HETATM   10  N   UNL     1       1.230   6.155  -0.392  1.00  0.00           N  
HETATM   11  C   UNL     1       1.807   6.908  -1.528  1.00  0.00           C  
HETATM   12  C   UNL     1       2.508   5.841  -2.403  1.00  0.00           C  
HETATM   13  C   UNL     1       3.075   4.876  -1.328  1.00  0.00           C  
HETATM   14  C   UNL     1       1.980   4.890  -0.243  1.00  0.00           C  
HETATM   15  C   UNL     1       1.060   3.676  -0.386  1.00  0.00           C  
HETATM   16  O   UNL     1       1.823   2.478  -0.229  1.00  0.00           O  
HETATM   17  C   UNL     1       1.153   1.306  -0.329  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.220   0.171  -0.910  1.00  0.00           C  
HETATM   19  F   UNL     1      -2.920   1.317  -1.054  1.00  0.00           F  
HETATM   20  N   UNL     1       1.952  -2.176  -0.121  1.00  0.00           N  
HETATM   21  C   UNL     1       2.506  -2.280   1.235  1.00  0.00           C  
HETATM   22  C   UNL     1       3.137  -3.664   1.421  1.00  0.00           C  
HETATM   23  C   UNL     1       3.008  -2.283  -1.137  1.00  0.00           C  
HETATM   24  C   UNL     1       3.659  -3.667  -1.048  1.00  0.00           C  
HETATM   25  N   UNL     1       4.105  -3.886   0.336  1.00  0.00           N  
HETATM   26  C   UNL     1       5.366  -4.280   0.603  1.00  0.00           C  
HETATM   27  O   UNL     1       5.692  -4.538   1.742  1.00  0.00           O  
HETATM   28  C   UNL     1       6.370  -4.398  -0.514  1.00  0.00           C  
HETATM   29  C   UNL     1       6.022  -5.605  -1.387  1.00  0.00           C  
HETATM   30  O   UNL     1       7.677  -4.571   0.038  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.878  -2.231  -0.631  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.171  -2.202  -0.862  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.850  -1.063  -1.002  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.307  -1.115  -1.260  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.217  -1.261  -0.189  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.792  -1.015  -2.554  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.159  -1.064  -2.803  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.055  -1.209  -1.787  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.605  -1.308  -0.459  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.513  -1.453   0.605  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.058  -1.546   1.885  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.696  -1.501   2.169  1.00  0.00           C  
HETATM   43  F   UNL     1      -5.275  -1.596   3.450  1.00  0.00           F  
HETATM   44  C   UNL     1      -4.766  -1.360   1.147  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.366  -1.315   1.444  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.218  -1.278   1.687  1.00  0.00           C  
HETATM   47  H   UNL     1       3.666   5.281   1.083  1.00  0.00           H  
HETATM   48  H   UNL     1       2.620   3.922   1.605  1.00  0.00           H  
HETATM   49  H   UNL     1       0.855   5.407   2.317  1.00  0.00           H  
HETATM   50  H   UNL     1       0.460   7.448   1.102  1.00  0.00           H  
HETATM   51  H   UNL     1       2.198   7.667   0.740  1.00  0.00           H  
HETATM   52  H   UNL     1       1.017   7.403  -2.093  1.00  0.00           H  
HETATM   53  H   UNL     1       2.530   7.640  -1.169  1.00  0.00           H  
HETATM   54  H   UNL     1       1.791   5.331  -3.046  1.00  0.00           H  
HETATM   55  H   UNL     1       3.310   6.285  -2.992  1.00  0.00           H  
HETATM   56  H   UNL     1       3.200   3.874  -1.737  1.00  0.00           H  
HETATM   57  H   UNL     1       4.017   5.253  -0.930  1.00  0.00           H  
HETATM   58  H   UNL     1       0.284   3.716   0.379  1.00  0.00           H  
HETATM   59  H   UNL     1       0.597   3.686  -1.373  1.00  0.00           H  
HETATM   60  H   UNL     1       3.266  -1.511   1.378  1.00  0.00           H  
HETATM   61  H   UNL     1       1.709  -2.142   1.966  1.00  0.00           H  
HETATM   62  H   UNL     1       3.649  -3.706   2.383  1.00  0.00           H  
HETATM   63  H   UNL     1       2.361  -4.428   1.386  1.00  0.00           H  
HETATM   64  H   UNL     1       2.574  -2.148  -2.128  1.00  0.00           H  
HETATM   65  H   UNL     1       3.760  -1.514  -0.962  1.00  0.00           H  
HETATM   66  H   UNL     1       2.933  -4.432  -1.325  1.00  0.00           H  
HETATM   67  H   UNL     1       4.514  -3.713  -1.723  1.00  0.00           H  
HETATM   68  H   UNL     1       6.348  -3.492  -1.120  1.00  0.00           H  
HETATM   69  H   UNL     1       6.074  -6.514  -0.788  1.00  0.00           H  
HETATM   70  H   UNL     1       5.013  -5.488  -1.783  1.00  0.00           H  
HETATM   71  H   UNL     1       6.731  -5.673  -2.213  1.00  0.00           H  
HETATM   72  H   UNL     1       7.770  -5.359   0.590  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.371  -3.178  -0.525  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.102  -0.899  -3.376  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.516  -0.984  -3.819  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.113  -1.245  -2.002  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.574  -1.490   0.407  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.765  -1.657   2.694  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.191  -1.245   1.904  1.00  0.00           H  
CONECT    1   20    5    5    2                                       
CONECT    2    1   31   31    3                                       
CONECT    3    2    4   18   18                                       
CONECT    4   17   17    3                                            
CONECT    5    1    1   17                                            
CONECT    6   14    7   47   48                                       
CONECT    7    6    8    9   49                                       
CONECT    8    7                                                      
CONECT    9   10    7   50   51                                       
CONECT   10   14   11    9                                            
CONECT   11   12   10   52   53                                       
CONECT   12   13   11   54   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14   13   15    6   10                                       
CONECT   15   14   16   58   59                                       
CONECT   16   15   17                                                 
CONECT   17    5   16    4    4                                       
CONECT   18    3    3   33   19                                       
CONECT   19   18                                                      
CONECT   20   23   21    1                                            
CONECT   21   22   20   60   61                                       
CONECT   22   25   21   62   63                                       
CONECT   23   24   20   64   65                                       
CONECT   24   25   23   66   67                                       
CONECT   25   26   24   22                                            
CONECT   26   28   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28   29   30   26   68                                       
CONECT   29   28   69   70   71                                       
CONECT   30   28   72                                                 
CONECT   31    2    2   32   73                                       
CONECT   32   31   33   33                                            
CONECT   33   32   32   18   34                                       
CONECT   34   33   36   36   35                                       
CONECT   35   34   44   44   39                                       
CONECT   36   34   34   37   74                                       
CONECT   37   36   38   38   75                                       
CONECT   38   37   37   39   76                                       
CONECT   39   35   38   40   40                                       
CONECT   40   39   39   41   77                                       
CONECT   41   42   42   40   78                                       
CONECT   42   44   43   41   41                                       
CONECT   43   42                                                      
CONECT   44   45   35   35   42                                       
CONECT   45   46   46   46   44                                       
CONECT   46   45   45   45   79                                       
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   46                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
