COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -3.400  -9.410   0.514  1.00  0.00           F  
HETATM    2  C   UNL     1      -3.355  -8.271  -0.297  1.00  0.00           C  
HETATM    3  F   UNL     1      -2.049  -7.770  -0.326  1.00  0.00           F  
HETATM    4  F   UNL     1      -3.754  -8.606  -1.595  1.00  0.00           F  
HETATM    5  C   UNL     1      -4.283  -7.221   0.258  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.921  -7.447   1.265  1.00  0.00           O  
HETATM    7  N   UNL     1      -4.403  -6.031  -0.363  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.305  -5.011   0.177  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.255  -3.765  -0.710  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.197  -2.699  -0.146  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.147  -1.454  -1.033  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.089  -0.388  -0.469  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.040   0.839  -1.342  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.322   0.859  -2.319  1.00  0.00           O  
HETATM   15  N   UNL     1      -7.794   1.914  -1.037  1.00  0.00           N  
HETATM   16  C   UNL     1      -7.784   3.121  -1.855  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.559   3.967  -1.617  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.274   4.821  -2.687  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.217   5.699  -2.657  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.414   5.744  -1.530  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.675   4.906  -0.482  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.753   3.977  -0.507  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.762   3.139   0.703  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.637   1.935   0.082  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.986   1.633  -0.060  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.817   1.698   1.043  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.318   2.065   2.280  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.974   2.351   2.432  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.130   2.264   1.328  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.659   2.468   1.469  1.00  0.00           C  
HETATM   31  N   UNL     1      -5.975   1.912   2.500  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.734   2.193   2.374  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.538   2.905   1.331  1.00  0.00           N  
HETATM   34  C   UNL     1      -3.238   3.395   0.868  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.157   2.363   1.198  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.821   2.818   0.608  1.00  0.00           C  
HETATM   37  C   UNL     1       0.260   1.786   0.938  1.00  0.00           C  
HETATM   38  C   UNL     1       1.596   2.241   0.348  1.00  0.00           C  
HETATM   39  C   UNL     1       2.677   1.210   0.678  1.00  0.00           C  
HETATM   40  C   UNL     1       4.013   1.665   0.088  1.00  0.00           C  
HETATM   41  C   UNL     1       5.094   0.633   0.418  1.00  0.00           C  
HETATM   42  C   UNL     1       6.430   1.088  -0.172  1.00  0.00           C  
HETATM   43  C   UNL     1       7.511   0.056   0.157  1.00  0.00           C  
HETATM   44  C   UNL     1       8.847   0.511  -0.433  1.00  0.00           C  
HETATM   45  C   UNL     1       9.928  -0.521  -0.103  1.00  0.00           C  
HETATM   46  C   UNL     1      11.244  -0.072  -0.684  1.00  0.00           C  
HETATM   47  C   UNL     1      12.316   0.045   0.103  1.00  0.00           C  
HETATM   48  C   UNL     1      13.598   0.481  -0.463  1.00  0.00           C  
HETATM   49  O   UNL     1      13.684   0.736  -1.649  1.00  0.00           O  
HETATM   50  C   UNL     1      14.788   0.611   0.411  1.00  0.00           C  
HETATM   51  N   UNL     1      15.906   0.992  -0.083  1.00  0.00           N  
HETATM   52  C   UNL     1      17.083   1.120   0.781  1.00  0.00           C  
HETATM   53  C   UNL     1      18.124   0.114   0.364  1.00  0.00           C  
HETATM   54  O   UNL     1      19.294   0.049   1.019  1.00  0.00           O  
HETATM   55  O   UNL     1      17.906  -0.634  -0.559  1.00  0.00           O  
HETATM   56  H   UNL     1      -3.893  -5.850  -1.168  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.323  -5.400   0.199  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.994  -4.749   1.189  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.238  -3.375  -0.732  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.566  -4.026  -1.721  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.215  -3.089  -0.124  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.886  -2.438   0.866  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.130  -1.064  -1.055  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.458  -1.715  -2.044  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.107  -0.778  -0.447  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.778  -0.127   0.543  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.816   2.834  -2.907  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.671   3.711  -1.624  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.904   4.790  -3.564  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.017   6.345  -3.499  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.586   6.436  -1.480  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.044   4.951   0.394  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.381   1.349  -1.024  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.866   1.461   0.938  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.981   2.128   3.131  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.583   2.640   3.397  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.272   3.554  -0.209  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.006   4.336   1.367  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.063   2.269   2.280  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.433   1.399   0.772  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.914   2.913  -0.474  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.545   3.783   1.035  1.00  0.00           H  
HETATM   83  H   UNL     1       0.354   1.692   2.020  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.016   0.822   0.512  1.00  0.00           H  
HETATM   85  H   UNL     1       1.503   2.336  -0.734  1.00  0.00           H  
HETATM   86  H   UNL     1       1.872   3.206   0.775  1.00  0.00           H  
HETATM   87  H   UNL     1       2.771   1.115   1.760  1.00  0.00           H  
HETATM   88  H   UNL     1       2.401   0.245   0.251  1.00  0.00           H  
HETATM   89  H   UNL     1       3.920   1.759  -0.994  1.00  0.00           H  
HETATM   90  H   UNL     1       4.290   2.629   0.514  1.00  0.00           H  
HETATM   91  H   UNL     1       5.188   0.538   1.499  1.00  0.00           H  
HETATM   92  H   UNL     1       4.818  -0.331  -0.009  1.00  0.00           H  
HETATM   93  H   UNL     1       6.337   1.183  -1.254  1.00  0.00           H  
HETATM   94  H   UNL     1       6.707   2.052   0.254  1.00  0.00           H  
HETATM   95  H   UNL     1       7.605  -0.038   1.239  1.00  0.00           H  
HETATM   96  H   UNL     1       7.235  -0.908  -0.269  1.00  0.00           H  
HETATM   97  H   UNL     1       8.754   0.606  -1.515  1.00  0.00           H  
HETATM   98  H   UNL     1       9.123   1.475  -0.006  1.00  0.00           H  
HETATM   99  H   UNL     1      10.022  -0.615   0.979  1.00  0.00           H  
HETATM  100  H   UNL     1       9.652  -1.485  -0.529  1.00  0.00           H  
HETATM  101  H   UNL     1      11.321   0.154  -1.737  1.00  0.00           H  
HETATM  102  H   UNL     1      12.239  -0.182   1.156  1.00  0.00           H  
HETATM  103  H   UNL     1      14.712   0.385   1.464  1.00  0.00           H  
HETATM  104  H   UNL     1      17.492   2.126   0.689  1.00  0.00           H  
HETATM  105  H   UNL     1      16.795   0.938   1.816  1.00  0.00           H  
HETATM  106  H   UNL     1      19.931  -0.613   0.716  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    5    4    1    3                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    6    6    7    2                                       
CONECT    6    5    5                                                 
CONECT    7    8    5   56                                            
CONECT    8    9    7   57   58                                       
CONECT    9    8   10   59   60                                       
CONECT   10    9   11   61   62                                       
CONECT   11   10   12   63   64                                       
CONECT   12   11   13   65   66                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   24                                            
CONECT   16   17   15   67   68                                       
CONECT   17   18   16   22   22                                       
CONECT   18   19   19   17   69                                       
CONECT   19   18   18   20   70                                       
CONECT   20   19   21   21   71                                       
CONECT   21   20   20   22   72                                       
CONECT   22   17   17   21   23                                       
CONECT   23   22   33   30   30                                       
CONECT   24   15   25   29   29                                       
CONECT   25   24   26   26   73                                       
CONECT   26   25   25   27   74                                       
CONECT   27   26   28   28   75                                       
CONECT   28   29   27   27   76                                       
CONECT   29   30   24   24   28                                       
CONECT   30   23   23   31   29                                       
CONECT   31   32   32   30                                            
CONECT   32   33   31   31                                            
CONECT   33   34   23   32                                            
CONECT   34   35   33   77   78                                       
CONECT   35   36   34   79   80                                       
CONECT   36   37   35   81   82                                       
CONECT   37   36   38   83   84                                       
CONECT   38   37   39   85   86                                       
CONECT   39   38   40   87   88                                       
CONECT   40   39   41   89   90                                       
CONECT   41   42   40   91   92                                       
CONECT   42   41   43   93   94                                       
CONECT   43   42   44   95   96                                       
CONECT   44   43   45   97   98                                       
CONECT   45   44   46   99  100                                       
CONECT   46   45   47   47  101                                       
CONECT   47   46   46   48  102                                       
CONECT   48   47   50   49   49                                       
CONECT   49   48   48                                                 
CONECT   50   48   51   51  103                                       
CONECT   51   50   50   52                                            
CONECT   52   51   53  104  105                                       
CONECT   53   52   55   55   54                                       
CONECT   54   53  106                                                 
CONECT   55   53   53                                                 
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   50                                                      
CONECT  104   52                                                      
CONECT  105   52                                                      
CONECT  106   54                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
