COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       5.479   3.051   3.319  1.00  0.00           F  
HETATM    2  C   UNL     1       5.270   2.148   2.336  1.00  0.00           C  
HETATM    3  C   UNL     1       4.741   2.557   1.129  1.00  0.00           C  
HETATM    4  C   UNL     1       4.530   1.625   0.109  1.00  0.00           C  
HETATM    5  C   UNL     1       3.965   2.055  -1.184  1.00  0.00           C  
HETATM    6  O   UNL     1       4.433   1.631  -2.223  1.00  0.00           O  
HETATM    7  N   UNL     1       2.930   2.918  -1.213  1.00  0.00           N  
HETATM    8  C   UNL     1       2.807   3.950  -0.181  1.00  0.00           C  
HETATM    9  C   UNL     1       2.734   3.287   1.196  1.00  0.00           C  
HETATM   10  C   UNL     1       4.023   4.876  -0.237  1.00  0.00           C  
HETATM   11  C   UNL     1       1.928   2.824  -2.278  1.00  0.00           C  
HETATM   12  C   UNL     1       0.552   2.567  -1.662  1.00  0.00           C  
HETATM   13  C   UNL     1       1.898   4.135  -3.067  1.00  0.00           C  
HETATM   14  C   UNL     1       5.594   0.815   2.541  1.00  0.00           C  
HETATM   15  C   UNL     1       5.386  -0.115   1.543  1.00  0.00           C  
HETATM   16  C   UNL     1       4.859   0.280   0.322  1.00  0.00           C  
HETATM   17  O   UNL     1       4.659  -0.634  -0.661  1.00  0.00           O  
HETATM   18  C   UNL     1       4.888  -1.943  -0.372  1.00  0.00           C  
HETATM   19  C   UNL     1       3.883  -2.742   0.188  1.00  0.00           C  
HETATM   20  N   UNL     1       4.150  -4.016   0.454  1.00  0.00           N  
HETATM   21  C   UNL     1       5.339  -4.524   0.196  1.00  0.00           C  
HETATM   22  N   UNL     1       6.306  -3.801  -0.330  1.00  0.00           N  
HETATM   23  C   UNL     1       6.119  -2.523  -0.630  1.00  0.00           C  
HETATM   24  N   UNL     1       2.630  -2.211   0.461  1.00  0.00           N  
HETATM   25  C   UNL     1       1.775  -2.228  -0.741  1.00  0.00           C  
HETATM   26  C   UNL     1       0.623  -2.682   0.157  1.00  0.00           C  
HETATM   27  C   UNL     1       1.739  -3.233   1.046  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.167  -1.537   0.784  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.142  -0.975  -0.256  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.010  -2.054  -0.744  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.238  -3.088  -1.446  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.268  -3.754  -0.464  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.079  -1.523  -1.601  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.026  -0.664  -0.761  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.677  -1.530   0.319  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.624  -0.671   1.159  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.709  -0.078   0.258  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.059   0.787  -0.822  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.111  -0.072  -1.662  1.00  0.00           C  
HETATM   40  N   UNL     1      -7.617   0.744   1.062  1.00  0.00           N  
HETATM   41  S   UNL     1      -9.230   0.800   0.693  1.00  0.00           S  
HETATM   42  O   UNL     1      -9.777   1.698   1.650  1.00  0.00           O  
HETATM   43  O   UNL     1      -9.262   1.100  -0.695  1.00  0.00           O  
HETATM   44  C   UNL     1      -9.822  -0.888   0.994  1.00  0.00           C  
HETATM   45  H   UNL     1       4.489   3.596   0.972  1.00  0.00           H  
HETATM   46  H   UNL     1       1.900   4.529  -0.353  1.00  0.00           H  
HETATM   47  H   UNL     1       3.020   2.238   1.111  1.00  0.00           H  
HETATM   48  H   UNL     1       3.415   3.794   1.880  1.00  0.00           H  
HETATM   49  H   UNL     1       1.716   3.355   1.580  1.00  0.00           H  
HETATM   50  H   UNL     1       3.735   5.826  -0.688  1.00  0.00           H  
HETATM   51  H   UNL     1       4.394   5.051   0.772  1.00  0.00           H  
HETATM   52  H   UNL     1       4.806   4.412  -0.837  1.00  0.00           H  
HETATM   53  H   UNL     1       2.185   2.003  -2.947  1.00  0.00           H  
HETATM   54  H   UNL     1       0.294   3.388  -0.993  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.194   2.497  -2.454  1.00  0.00           H  
HETATM   56  H   UNL     1       0.573   1.634  -1.100  1.00  0.00           H  
HETATM   57  H   UNL     1       1.641   4.956  -2.398  1.00  0.00           H  
HETATM   58  H   UNL     1       2.879   4.317  -3.506  1.00  0.00           H  
HETATM   59  H   UNL     1       1.153   4.065  -3.859  1.00  0.00           H  
HETATM   60  H   UNL     1       6.012   0.504   3.487  1.00  0.00           H  
HETATM   61  H   UNL     1       5.641  -1.151   1.710  1.00  0.00           H  
HETATM   62  H   UNL     1       5.525  -5.563   0.424  1.00  0.00           H  
HETATM   63  H   UNL     1       6.919  -1.940  -1.061  1.00  0.00           H  
HETATM   64  H   UNL     1       1.622  -1.242  -1.180  1.00  0.00           H  
HETATM   65  H   UNL     1       2.073  -2.976  -1.476  1.00  0.00           H  
HETATM   66  H   UNL     1       2.028  -4.254   0.798  1.00  0.00           H  
HETATM   67  H   UNL     1       1.556  -3.092   2.111  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.725  -1.907   1.645  1.00  0.00           H  
HETATM   69  H   UNL     1       0.519  -0.753   1.104  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.753  -0.197   0.202  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.581  -0.554  -1.090  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.919  -3.839  -1.849  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.676  -2.632  -2.260  1.00  0.00           H  
HETATM   74  H   UNL     1       0.349  -4.478  -0.995  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.832  -4.259   0.321  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.641  -0.915  -2.392  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.634  -2.350  -2.044  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.464   0.143  -0.291  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.239  -2.337  -0.151  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.904  -1.952   0.961  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.088  -1.288   1.929  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.062   0.136   1.630  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.272  -0.885  -0.212  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.832   1.209  -1.464  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.497   1.594  -0.352  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.648   0.545  -2.432  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.673  -0.879  -2.133  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.272   1.256   1.811  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.652  -1.152   2.037  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.888  -0.943   0.773  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.281  -1.582   0.350  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3   14    1                                       
CONECT    3    4    2    2   45                                       
CONECT    4    5   16   16    3                                       
CONECT    5    7    6    6    4                                       
CONECT    6    5    5                                                 
CONECT    7   11    8    5                                            
CONECT    8   10    9    7   46                                       
CONECT    9    8   47   48   49                                       
CONECT   10    8   50   51   52                                       
CONECT   11   13   12    7   53                                       
CONECT   12   11   54   55   56                                       
CONECT   13   11   57   58   59                                       
CONECT   14   15   15    2   60                                       
CONECT   15   16   14   14   61                                       
CONECT   16   17    4    4   15                                       
CONECT   17   18   16                                                 
CONECT   18   19   19   23   17                                       
CONECT   19   20   24   18   18                                       
CONECT   20   21   21   19                                            
CONECT   21   20   20   22   62                                       
CONECT   22   21   23   23                                            
CONECT   23   22   22   18   63                                       
CONECT   24   25   19   27                                            
CONECT   25   24   26   64   65                                       
CONECT   26   25   28   32   27                                       
CONECT   27   24   26   66   67                                       
CONECT   28   29   26   68   69                                       
CONECT   29   30   28   70   71                                       
CONECT   30   33   29   31                                            
CONECT   31   30   32   72   73                                       
CONECT   32   31   26   74   75                                       
CONECT   33   34   30   76   77                                       
CONECT   34   35   33   39   78                                       
CONECT   35   36   34   79   80                                       
CONECT   36   35   37   81   82                                       
CONECT   37   36   40   38   83                                       
CONECT   38   37   39   84   85                                       
CONECT   39   34   38   86   87                                       
CONECT   40   37   41   88                                            
CONECT   41   43   43   40   42                                       
CONECT   41   42   44                                                 
CONECT   42   41   41                                                 
CONECT   43   41   41                                                 
CONECT   44   41   89   90   91                                       
CONECT   45    3                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   21                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
