COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.106   0.124   0.947  1.00  0.00           N  
HETATM    2  N   UNL     1       1.304   1.380   0.851  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.418  -1.697   0.236  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.740  -1.473  -0.451  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.808  -1.141   0.594  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.120  -0.792  -0.111  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.904   0.417  -1.023  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.582  -1.986  -0.949  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.377  -3.820   0.186  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.685   3.627   0.717  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.786   2.850  -1.309  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.275   3.252  -0.174  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.177   3.017   0.633  1.00  0.00           C  
HETATM   14  C   UNL     1       0.130   0.969   1.369  1.00  0.00           C  
HETATM   15  C   UNL     1       2.817   2.153   2.611  1.00  0.00           C  
HETATM   16  C   UNL     1       6.054   0.803   0.016  1.00  0.00           C  
HETATM   17  C   UNL     1       5.473   3.078  -0.839  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.148   1.175   0.596  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.077  -0.220   0.079  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.201   0.386  -0.964  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.011  -1.358   0.404  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.297  -1.141  -0.264  1.00  0.00           N  
HETATM   23  O   UNL     1      -6.363  -2.376   1.239  1.00  0.00           O  
HETATM   24  F   UNL     1      -8.109  -2.633  -1.141  1.00  0.00           F  
HETATM   25  C   UNL     1     -11.188  -0.459   0.933  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.399  -2.674  -0.081  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.091  -2.935   0.667  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.138  -2.589  -1.484  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.740   2.542   0.944  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.934   2.810   0.065  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.882   3.096  -2.115  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.126   3.297  -1.547  1.00  0.00           C  
HETATM   33  O   UNL     1       0.101   0.433   2.456  1.00  0.00           O  
HETATM   34  C   UNL     1       2.557   1.082   1.550  1.00  0.00           C  
HETATM   35  C   UNL     1       3.693   1.070   0.560  1.00  0.00           C  
HETATM   36  O   UNL     1       3.478   1.288  -0.613  1.00  0.00           O  
HETATM   37  N   UNL     1       4.949   0.816   0.979  1.00  0.00           N  
HETATM   38  C   UNL     1       6.567   2.230  -0.188  1.00  0.00           C  
HETATM   39  O   UNL     1       5.953   4.410  -1.030  1.00  0.00           O  
HETATM   40  C   UNL     1       5.002   5.289  -1.636  1.00  0.00           C  
HETATM   41  C   UNL     1       7.169  -0.062   0.543  1.00  0.00           C  
HETATM   42  O   UNL     1       7.053  -0.614   1.617  1.00  0.00           O  
HETATM   43  N   UNL     1       8.296  -0.222  -0.179  1.00  0.00           N  
HETATM   44  C   UNL     1       8.436   0.445  -1.475  1.00  0.00           C  
HETATM   45  C   UNL     1       9.381  -1.063   0.334  1.00  0.00           C  
HETATM   46  C   UNL     1       9.180  -2.481  -0.134  1.00  0.00           C  
HETATM   47  C   UNL     1       9.732  -2.899  -1.330  1.00  0.00           C  
HETATM   48  C   UNL     1       9.548  -4.201  -1.759  1.00  0.00           C  
HETATM   49  C   UNL     1       8.812  -5.084  -0.991  1.00  0.00           C  
HETATM   50  C   UNL     1       8.260  -4.666   0.205  1.00  0.00           C  
HETATM   51  C   UNL     1       8.449  -3.366   0.637  1.00  0.00           C  
HETATM   52  H   UNL     1      -2.038  -0.328   1.803  1.00  0.00           H  
HETATM   53  H   UNL     1       1.320   1.874   0.016  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.649  -0.646  -1.154  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.962  -2.002   1.243  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.479  -0.290   1.191  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.143   0.180  -1.767  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.839   0.666  -1.525  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.575   1.268  -0.426  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.736  -2.848  -0.300  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.516  -1.738  -1.452  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.821  -2.223  -1.693  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.310  -3.634  -0.346  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.942  -4.757  -0.159  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.577  -3.885   1.256  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.382   3.626  -0.330  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.104   4.600   0.974  1.00  0.00           H  
HETATM   68  H   UNL     1       0.182   3.428   1.347  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.814   2.694  -1.752  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.247   3.409   0.270  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.293   2.985   1.706  1.00  0.00           H  
HETATM   72  H   UNL     1       1.995   2.162   3.327  1.00  0.00           H  
HETATM   73  H   UNL     1       3.749   1.931   3.131  1.00  0.00           H  
HETATM   74  H   UNL     1       2.892   3.129   2.131  1.00  0.00           H  
HETATM   75  H   UNL     1       5.702   0.404  -0.935  1.00  0.00           H  
HETATM   76  H   UNL     1       5.204   2.647  -1.804  1.00  0.00           H  
HETATM   77  H   UNL     1       4.595   3.097  -0.193  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.937   1.132  -0.473  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.165  -1.405   1.482  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.341  -0.597  -1.066  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.859   0.391   1.530  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.123  -0.211   0.431  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.342  -1.321   1.582  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.290  -3.001   1.736  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.655  -3.872   0.320  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.394  -2.118   0.477  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.749  -3.390  -1.860  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.049   2.548   1.989  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.766   3.132  -3.188  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.984   3.481  -2.178  1.00  0.00           H  
HETATM   91  H   UNL     1       2.482   0.106   2.029  1.00  0.00           H  
HETATM   92  H   UNL     1       5.121   0.641   1.917  1.00  0.00           H  
HETATM   93  H   UNL     1       6.836   2.661   0.776  1.00  0.00           H  
HETATM   94  H   UNL     1       7.445   2.211  -0.835  1.00  0.00           H  
HETATM   95  H   UNL     1       5.443   6.280  -1.746  1.00  0.00           H  
HETATM   96  H   UNL     1       4.724   4.904  -2.616  1.00  0.00           H  
HETATM   97  H   UNL     1       4.115   5.354  -1.006  1.00  0.00           H  
HETATM   98  H   UNL     1       8.885   1.428  -1.332  1.00  0.00           H  
HETATM   99  H   UNL     1       9.074  -0.154  -2.125  1.00  0.00           H  
HETATM  100  H   UNL     1       7.454   0.558  -1.934  1.00  0.00           H  
HETATM  101  H   UNL     1      10.336  -0.690  -0.037  1.00  0.00           H  
HETATM  102  H   UNL     1       9.378  -1.036   1.423  1.00  0.00           H  
HETATM  103  H   UNL     1      10.307  -2.210  -1.930  1.00  0.00           H  
HETATM  104  H   UNL     1       9.979  -4.527  -2.694  1.00  0.00           H  
HETATM  105  H   UNL     1       8.668  -6.100  -1.326  1.00  0.00           H  
HETATM  106  H   UNL     1       7.685  -5.356   0.805  1.00  0.00           H  
HETATM  107  H   UNL     1       8.018  -3.039   1.571  1.00  0.00           H  
CONECT    1   18   19   52                                            
CONECT    2   34   14   53                                            
CONECT    3   22    4   23   23                                       
CONECT    4   24    3    5   54                                       
CONECT    5    4    6   55   56                                       
CONECT    6   25    5    8    7                                       
CONECT    7    6   57   58   59                                       
CONECT    8    6   60   61   62                                       
CONECT    9   26   63   64   65                                       
CONECT   10   29   66   67   68                                       
CONECT   11   30   31   31   69                                       
CONECT   12   13   32   32   70                                       
CONECT   13   30   30   12   71                                       
CONECT   14    2   33   33   18                                       
CONECT   15   34   72   73   74                                       
CONECT   16   38   37   41   75                                       
CONECT   17   38   39   76   77                                       
CONECT   18   14   29    1   78                                       
CONECT   19   20   20    1   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   26   22   79                                       
CONECT   22   21    3   80                                            
CONECT   23    3    3                                                 
CONECT   24    4                                                      
CONECT   25    6   81   82   83                                       
CONECT   26   27   28   21    9                                       
CONECT   27   26   84   85   86                                       
CONECT   28   26   87                                                 
CONECT   29   10   18   30   88                                       
CONECT   30   29   13   13   11                                       
CONECT   31   11   11   32   89                                       
CONECT   32   12   12   31   90                                       
CONECT   33   14   14                                                 
CONECT   34   15   35    2   91                                       
CONECT   35   34   37   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   16   35   92                                            
CONECT   38   17   16   93   94                                       
CONECT   39   40   17                                                 
CONECT   40   39   95   96   97                                       
CONECT   41   16   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   45                                            
CONECT   44   43   98   99  100                                       
CONECT   45   43   46  101  102                                       
CONECT   46   51   45   47   47                                       
CONECT   47   46   46   48  103                                       
CONECT   48   49   49   47  104                                       
CONECT   49   50   48   48  105                                       
CONECT   50   51   51   49  106                                       
CONECT   51   50   50   46  107                                       
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   12                                                      
CONECT   71   13                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   17                                                      
CONECT   78   18                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   34                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   38                                                      
CONECT   95   40                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   44                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   50                                                      
CONECT  107   51                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
