COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.667   1.046  -1.972  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.062   2.790  -3.817  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.032   1.266  -3.019  1.00  0.00           C  
HETATM    4  C   UNL     1       0.128   2.549  -0.131  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.957   3.519   0.259  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.469   3.176   1.659  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.867   3.065   4.081  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.177   3.726   3.398  1.00  0.00           C  
HETATM    9  C   UNL     1       3.715   2.028  -0.235  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.707  -4.340   2.111  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.971  -4.441   0.773  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.597  -3.099   0.319  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.481  -2.350  -0.370  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.588  -2.787  -0.615  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.103  -0.996  -0.828  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.834  -0.493  -0.549  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.489   0.787  -0.980  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.413   1.554  -1.693  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.018  -0.218  -1.543  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.659   1.880  -2.742  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.890   2.388  -1.988  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.145   1.329  -0.688  1.00  0.00           C  
HETATM   23  S   UNL     1       1.390   0.518  -0.996  1.00  0.00           S  
HETATM   24  C   UNL     1       2.252   1.908  -0.342  1.00  0.00           C  
HETATM   25  N   UNL     1       1.392   2.815   0.034  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.354   3.408   2.681  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.062   3.957   4.420  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.665   4.069   1.998  1.00  0.00           C  
HETATM   29  O   UNL     1       4.210   3.035   0.235  1.00  0.00           O  
HETATM   30  N   UNL     1       4.506   1.022  -0.658  1.00  0.00           N  
HETATM   31  C   UNL     1       5.962   1.141  -0.551  1.00  0.00           C  
HETATM   32  C   UNL     1       6.574   0.256   0.548  1.00  0.00           C  
HETATM   33  C   UNL     1       6.688  -0.849  -0.515  1.00  0.00           C  
HETATM   34  C   UNL     1       6.727   0.274  -1.565  1.00  0.00           C  
HETATM   35  C   UNL     1       7.969  -1.639  -0.429  1.00  0.00           C  
HETATM   36  O   UNL     1       8.786  -1.375   0.421  1.00  0.00           O  
HETATM   37  O   UNL     1       8.202  -2.636  -1.297  1.00  0.00           O  
HETATM   38  C   UNL     1      -1.711  -5.290   0.946  1.00  0.00           C  
HETATM   39  F   UNL     1      -1.038  -5.382  -0.277  1.00  0.00           F  
HETATM   40  F   UNL     1      -0.873  -4.694   1.895  1.00  0.00           F  
HETATM   41  F   UNL     1      -2.068  -6.571   1.380  1.00  0.00           F  
HETATM   42  H   UNL     1      -3.944   2.228  -4.744  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.727   3.636  -3.987  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.089   3.154  -3.486  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.511   1.511  -3.967  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.219   0.259  -2.644  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.557   4.533   0.256  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.778   3.451  -0.455  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.777   2.131   1.688  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.174   2.019   4.110  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.072   3.230   4.809  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.484   2.680   3.427  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.029   4.361   3.639  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.054  -3.875   2.850  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.605  -3.735   1.987  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.985  -5.338   2.448  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.624  -4.905   0.034  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.714  -2.750   0.514  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.124  -1.090   0.003  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.146   2.545  -2.028  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.002  -0.607  -1.760  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.275   3.371  -2.259  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.983   2.120  -0.936  1.00  0.00           H  
HETATM   64  H   UNL     1       0.497   2.772   2.440  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.047   4.453   2.652  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.427   3.713   5.417  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.755   5.003   4.391  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.358   5.114   1.969  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.459   3.903   1.270  1.00  0.00           H  
HETATM   70  H   UNL     1       4.111   0.219  -1.032  1.00  0.00           H  
HETATM   71  H   UNL     1       6.301   2.176  -0.519  1.00  0.00           H  
HETATM   72  H   UNL     1       7.537   0.614   0.911  1.00  0.00           H  
HETATM   73  H   UNL     1       5.879   0.017   1.353  1.00  0.00           H  
HETATM   74  H   UNL     1       5.803  -1.482  -0.585  1.00  0.00           H  
HETATM   75  H   UNL     1       6.155   0.049  -2.466  1.00  0.00           H  
HETATM   76  H   UNL     1       7.732   0.637  -1.780  1.00  0.00           H  
HETATM   77  H   UNL     1       9.037  -3.115  -1.203  1.00  0.00           H  
CONECT    1   19   19   18   20                                       
CONECT    2   20   42   43   44                                       
CONECT    3   21   20   45   46                                       
CONECT    4    5   25   22   22                                       
CONECT    5    4    6   47   48                                       
CONECT    6    5   26   28   49                                       
CONECT    7   26   27   50   51                                       
CONECT    8   28   27   52   53                                       
CONECT    9   29   29   24   30                                       
CONECT   10   11   54   55   56                                       
CONECT   11   10   38   12   57                                       
CONECT   12   11   13   58                                            
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   16   19                                       
CONECT   16   15   15   17   59                                       
CONECT   17   16   22   18   18                                       
CONECT   18   17   17    1   60                                       
CONECT   19   15    1    1   61                                       
CONECT   20    1   21    2    3                                       
CONECT   21   20    3   62   63                                       
CONECT   22    4    4   17   23                                       
CONECT   23   22   24                                                 
CONECT   24   25   25   23    9                                       
CONECT   25    4   24   24                                            
CONECT   26    6    7   64   65                                       
CONECT   27    7    8   66   67                                       
CONECT   28    6    8   68   69                                       
CONECT   29    9    9                                                 
CONECT   30    9   31   70                                            
CONECT   31   32   30   34   71                                       
CONECT   32   33   31   72   73                                       
CONECT   33   35   32   34   74                                       
CONECT   34   33   31   75   76                                       
CONECT   35   36   36   33   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   77                                                 
CONECT   38   39   40   11   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   37                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
