COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.725   0.821  -1.840  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.170   1.513  -1.014  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.946   1.321  -2.569  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.981   2.851  -2.496  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.824   3.274  -1.321  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.661   2.660  -0.094  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.442   3.047   0.984  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.389   4.054   0.822  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.544   4.668  -0.404  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.761   4.278  -1.474  1.00  0.00           C  
HETATM   11  C   UNL     1       5.522   2.126   1.551  1.00  0.00           C  
HETATM   12  C   UNL     1       6.010   0.377  -0.162  1.00  0.00           C  
HETATM   13  C   UNL     1       6.795   0.606  -2.413  1.00  0.00           C  
HETATM   14  C   UNL     1       6.962  -0.598   0.071  1.00  0.00           C  
HETATM   15  C   UNL     1       0.529  -1.791  -0.289  1.00  0.00           C  
HETATM   16  C   UNL     1       0.952  -0.829  -1.367  1.00  0.00           C  
HETATM   17  C   UNL     1       1.592   0.407  -0.733  1.00  0.00           C  
HETATM   18  C   UNL     1       2.962   0.054  -0.214  1.00  0.00           C  
HETATM   19  C   UNL     1       3.329   2.398   0.607  1.00  0.00           C  
HETATM   20  C   UNL     1       4.181   2.862   1.815  1.00  0.00           C  
HETATM   21  C   UNL     1       5.065   0.785   0.938  1.00  0.00           C  
HETATM   22  C   UNL     1       5.928   0.981  -1.403  1.00  0.00           C  
HETATM   23  C   UNL     1       7.744  -0.373  -2.181  1.00  0.00           C  
HETATM   24  C   UNL     1       7.829  -0.972  -0.939  1.00  0.00           C  
HETATM   25  N   UNL     1       3.717   0.993   0.389  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.253  -0.430  -2.135  1.00  0.00           N  
HETATM   27  O   UNL     1      -0.179  -2.738  -0.558  1.00  0.00           O  
HETATM   28  O   UNL     1       3.385  -1.076  -0.340  1.00  0.00           O  
HETATM   29  N   UNL     1       0.948  -1.589   0.992  1.00  0.00           N  
HETATM   30  C   UNL     1       0.523  -2.601   1.980  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.648  -3.378   1.435  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.762  -4.559   1.687  1.00  0.00           O  
HETATM   33  C   UNL     1       0.109  -1.888   3.268  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.786  -0.722   2.941  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.911  -0.908   2.161  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.475   0.538   3.420  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.741   0.176   1.888  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.294   1.627   3.142  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.447   1.436   2.392  1.00  0.00           C  
HETATM   40  O   UNL     1      -3.301   2.469   2.199  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.753  -3.493   0.213  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.294  -2.349  -1.949  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.091  -1.517  -2.717  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.615  -2.582  -0.623  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.202  -0.916  -2.158  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.520  -1.146  -0.832  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.728  -1.981  -0.066  1.00  0.00           C  
HETATM   48  F   UNL     1      -2.207  -2.937  -2.494  1.00  0.00           F  
HETATM   49  N   UNL     1      -1.568  -2.761   0.668  1.00  0.00           N  
HETATM   50  H   UNL     1      -1.903   1.007  -3.612  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.842   0.913  -2.102  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.968   3.232  -2.373  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.412   3.249  -3.415  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.925   1.878   0.026  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.003   4.356   1.657  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.276   5.451  -0.528  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.881   4.760  -2.433  1.00  0.00           H  
HETATM   58  H   UNL     1       6.135   2.684   0.844  1.00  0.00           H  
HETATM   59  H   UNL     1       6.062   1.963   2.483  1.00  0.00           H  
HETATM   60  H   UNL     1       6.731   1.077  -3.382  1.00  0.00           H  
HETATM   61  H   UNL     1       7.029  -1.066   1.041  1.00  0.00           H  
HETATM   62  H   UNL     1       1.667  -1.314  -2.032  1.00  0.00           H  
HETATM   63  H   UNL     1       1.679   1.196  -1.481  1.00  0.00           H  
HETATM   64  H   UNL     1       0.970   0.756   0.091  1.00  0.00           H  
HETATM   65  H   UNL     1       2.267   2.465   0.844  1.00  0.00           H  
HETATM   66  H   UNL     1       3.559   2.999  -0.273  1.00  0.00           H  
HETATM   67  H   UNL     1       3.736   2.537   2.755  1.00  0.00           H  
HETATM   68  H   UNL     1       4.320   3.943   1.803  1.00  0.00           H  
HETATM   69  H   UNL     1       5.037   0.014   1.708  1.00  0.00           H  
HETATM   70  H   UNL     1       5.187   1.745  -1.584  1.00  0.00           H  
HETATM   71  H   UNL     1       8.421  -0.665  -2.970  1.00  0.00           H  
HETATM   72  H   UNL     1       8.571  -1.737  -0.758  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.671  -1.007  -2.793  1.00  0.00           H  
HETATM   74  H   UNL     1       1.494  -0.826   1.240  1.00  0.00           H  
HETATM   75  H   UNL     1       1.350  -3.280   2.188  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.425  -2.585   3.913  1.00  0.00           H  
HETATM   77  H   UNL     1       0.999  -1.528   3.784  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.139  -1.888   1.768  1.00  0.00           H  
HETATM   79  H   UNL     1       0.418   0.686   4.010  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.621   0.043   1.277  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.037   2.607   3.519  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.320  -3.838   1.077  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.444  -4.350  -0.385  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.843  -1.337  -3.753  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.824  -0.267  -2.757  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.389  -0.676  -0.396  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.977  -2.160   0.970  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.445  -1.832   0.416  1.00  0.00           H  
CONECT    1   26    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   50   51                                       
CONECT    4    5    3   52   53                                       
CONECT    5    6    4   10   10                                       
CONECT    6    7    7    5   54                                       
CONECT    7   40    6    6    8                                       
CONECT    8    7    9    9   55                                       
CONECT    9    8    8   10   56                                       
CONECT   10    5    5    9   57                                       
CONECT   11   21   20   58   59                                       
CONECT   12   22   22   14   21                                       
CONECT   13   23   23   22   60                                       
CONECT   14   24   24   12   61                                       
CONECT   15   29   27   27   16                                       
CONECT   16   15   17   26   62                                       
CONECT   17   16   18   63   64                                       
CONECT   18   17   25   28   28                                       
CONECT   19   25   20   65   66                                       
CONECT   20   11   19   67   68                                       
CONECT   21   12   25   11   69                                       
CONECT   22   13   12   12   70                                       
CONECT   23   13   13   24   71                                       
CONECT   24   23   14   14   72                                       
CONECT   25   21   18   19                                            
CONECT   26   16    1   73                                            
CONECT   27   15   15                                                 
CONECT   28   18   18                                                 
CONECT   29   30   15   74                                            
CONECT   30   31   33   29   75                                       
CONECT   31   49   32   32   30                                       
CONECT   32   31   31                                                 
CONECT   33   30   34   76   77                                       
CONECT   34   33   36   36   35                                       
CONECT   35   34   37   37   78                                       
CONECT   36   34   34   38   79                                       
CONECT   37   35   35   39   80                                       
CONECT   38   36   39   39   81                                       
CONECT   39   38   38   37   40                                       
CONECT   40   39    7                                                 
CONECT   41   44   49   82   83                                       
CONECT   42   44   44   43   48                                       
CONECT   43   45   45   42   84                                       
CONECT   44   47   41   42   42                                       
CONECT   45   46   43   43   85                                       
CONECT   46   47   47   45   86                                       
CONECT   47   46   46   44   87                                       
CONECT   48   42                                                      
CONECT   49   41   31   88                                            
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   43                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   47                                                      
CONECT   88   49                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
