COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.182   1.224   0.176  1.00  0.00           N  
HETATM    2  N   UNL     1       3.500  -3.345  -0.410  1.00  0.00           N  
HETATM    3  C   UNL     1       1.642   2.961  -0.736  1.00  0.00           C  
HETATM    4  C   UNL     1       0.342   2.177  -0.926  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.526   1.625   1.394  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.016   1.311   1.245  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.025   1.840   0.196  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.707  -0.054   1.004  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.109   1.171  -0.152  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.073   0.004   0.564  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.011  -0.285   1.746  1.00  0.00           C  
HETATM   12  C   UNL     1       1.403  -0.438  -1.191  1.00  0.00           C  
HETATM   13  C   UNL     1       1.020  -2.853  -1.475  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.323  -2.856  -2.065  1.00  0.00           C  
HETATM   15  C   UNL     1       0.369  -5.033  -1.866  1.00  0.00           C  
HETATM   16  C   UNL     1       2.737  -4.382  -0.793  1.00  0.00           C  
HETATM   17  C   UNL     1       5.542  -1.710   0.565  1.00  0.00           C  
HETATM   18  F   UNL     1       9.451   1.866   2.451  1.00  0.00           F  
HETATM   19  C   UNL     1       8.512   1.007   1.998  1.00  0.00           C  
HETATM   20  C   UNL     1       8.514   0.615   0.670  1.00  0.00           C  
HETATM   21  C   UNL     1       7.554  -0.264   0.208  1.00  0.00           C  
HETATM   22  C   UNL     1       7.549   0.513   2.863  1.00  0.00           C  
HETATM   23  C   UNL     1       6.589  -0.366   2.398  1.00  0.00           C  
HETATM   24  C   UNL     1       6.590  -0.752   1.071  1.00  0.00           C  
HETATM   25  S   UNL     1       4.105  -0.779  -0.021  1.00  0.00           S  
HETATM   26  C   UNL     1       3.070  -2.107  -0.539  1.00  0.00           C  
HETATM   27  O   UNL     1       3.146  -5.527  -0.669  1.00  0.00           O  
HETATM   28  C   UNL     1       1.463  -4.138  -1.342  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.733  -4.095  -2.305  1.00  0.00           C  
HETATM   30  N   UNL     1       1.845  -1.829  -1.063  1.00  0.00           N  
HETATM   31  C   UNL     1       0.681  -0.023   0.065  1.00  0.00           C  
HETATM   32  O   UNL     1       0.548  -0.812   0.977  1.00  0.00           O  
HETATM   33  N   UNL     1       1.803   3.917  -1.840  1.00  0.00           N  
HETATM   34  C   UNL     1       0.760   4.951  -1.797  1.00  0.00           C  
HETATM   35  C   UNL     1       0.718   5.689  -3.137  1.00  0.00           C  
HETATM   36  C   UNL     1       3.142   4.519  -1.824  1.00  0.00           C  
HETATM   37  C   UNL     1       4.161   3.510  -2.359  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.164   1.547   2.250  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.924   0.904   1.041  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.389   0.588   0.874  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.351  -0.584   1.587  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.537  -0.313   0.398  1.00  0.00           C  
HETATM   43  F   UNL     1      -9.788  -1.613   0.850  1.00  0.00           F  
HETATM   44  F   UNL     1     -10.298   0.595   1.142  1.00  0.00           F  
HETATM   45  F   UNL     1      -9.884  -0.215  -0.954  1.00  0.00           F  
HETATM   46  C   UNL     1      -7.452   0.881  -0.305  1.00  0.00           C  
HETATM   47  H   UNL     1       1.605   3.502   0.210  1.00  0.00           H  
HETATM   48  H   UNL     1       2.485   2.271  -0.727  1.00  0.00           H  
HETATM   49  H   UNL     1       0.379   1.636  -1.872  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.501   2.867  -0.935  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.123   1.077   2.245  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.394   2.695   1.555  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.260   2.902   0.278  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.845   1.506  -0.826  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.507  -0.506   0.032  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.647  -0.754   1.837  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.624   1.856  -0.831  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.447  -0.744   2.545  1.00  0.00           H  
HETATM   59  H   UNL     1       2.270   0.206  -1.341  1.00  0.00           H  
HETATM   60  H   UNL     1       0.731  -0.347  -2.043  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.900  -1.968  -2.276  1.00  0.00           H  
HETATM   62  H   UNL     1       0.730  -5.615  -2.713  1.00  0.00           H  
HETATM   63  H   UNL     1       0.012  -5.695  -1.077  1.00  0.00           H  
HETATM   64  H   UNL     1       5.953  -2.298  -0.256  1.00  0.00           H  
HETATM   65  H   UNL     1       5.239  -2.376   1.372  1.00  0.00           H  
HETATM   66  H   UNL     1       9.267   0.997  -0.004  1.00  0.00           H  
HETATM   67  H   UNL     1       7.555  -0.570  -0.828  1.00  0.00           H  
HETATM   68  H   UNL     1       7.549   0.814   3.900  1.00  0.00           H  
HETATM   69  H   UNL     1       5.839  -0.752   3.072  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.682  -4.381  -2.735  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.207   4.485  -1.609  1.00  0.00           H  
HETATM   72  H   UNL     1       0.984   5.660  -0.999  1.00  0.00           H  
HETATM   73  H   UNL     1       1.700   6.112  -3.350  1.00  0.00           H  
HETATM   74  H   UNL     1       0.445   4.990  -3.928  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.020   6.490  -3.088  1.00  0.00           H  
HETATM   76  H   UNL     1       3.148   5.409  -2.454  1.00  0.00           H  
HETATM   77  H   UNL     1       3.405   4.794  -0.803  1.00  0.00           H  
HETATM   78  H   UNL     1       4.250   2.678  -1.659  1.00  0.00           H  
HETATM   79  H   UNL     1       3.829   3.136  -3.327  1.00  0.00           H  
HETATM   80  H   UNL     1       5.130   3.996  -2.469  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.127   0.926   3.145  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.391   2.594   2.451  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.834  -1.276   2.260  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.016   1.340  -1.103  1.00  0.00           H  
CONECT    1    5   31    4                                            
CONECT    2   16   26   26                                            
CONECT    3    4   33   47   48                                       
CONECT    4    1    3   49   50                                       
CONECT    5    6    1   51   52                                       
CONECT    6    7    5    8   38                                       
CONECT    7    6   39   53   54                                       
CONECT    8    6   39   55   56                                       
CONECT    9   40   46   46   57                                       
CONECT   10   41   41   46   42                                       
CONECT   11   40   40   41   58                                       
CONECT   12   30   31   59   60                                       
CONECT   13   14   28   28   30                                       
CONECT   14   29   29   13   61                                       
CONECT   15   29   28   62   63                                       
CONECT   16   28   27   27    2                                       
CONECT   17   25   24   64   65                                       
CONECT   18   19                                                      
CONECT   19   22   18   20   20                                       
CONECT   20   19   19   21   66                                       
CONECT   21   24   24   20   67                                       
CONECT   22   23   23   19   68                                       
CONECT   23   22   22   24   69                                       
CONECT   24   17   23   21   21                                       
CONECT   25   26   17                                                 
CONECT   26   30    2    2   25                                       
CONECT   27   16   16                                                 
CONECT   28   15   13   13   16                                       
CONECT   29   14   14   15   70                                       
CONECT   30   13   26   12                                            
CONECT   31   12    1   32   32                                       
CONECT   32   31   31                                                 
CONECT   33    3   36   34                                            
CONECT   34   33   35   71   72                                       
CONECT   35   34   73   74   75                                       
CONECT   36   33   37   76   77                                       
CONECT   37   36   78   79   80                                       
CONECT   38    6   39   81   82                                       
CONECT   39    7    8   40   38                                       
CONECT   40   39   11   11    9                                       
CONECT   41   11   10   10   83                                       
CONECT   42   43   10   44   45                                       
CONECT   43   42                                                      
CONECT   44   42                                                      
CONECT   45   42                                                      
CONECT   46    9    9   10   84                                       
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   29                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   41                                                      
CONECT   84   46                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
