COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.822  -0.353  -2.021  1.00  0.00           C  
HETATM    2  C   UNL     1       7.380  -0.019  -1.736  1.00  0.00           C  
HETATM    3  C   UNL     1       6.438  -1.031  -1.673  1.00  0.00           C  
HETATM    4  C   UNL     1       5.118  -0.733  -1.407  1.00  0.00           C  
HETATM    5  C   UNL     1       4.733   0.594  -1.201  1.00  0.00           C  
HETATM    6  C   UNL     1       3.364   0.911  -0.924  1.00  0.00           C  
HETATM    7  C   UNL     1       2.241   1.171  -0.697  1.00  0.00           C  
HETATM    8  C   UNL     1       0.490   2.816  -0.215  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.831   3.123   0.046  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.242   4.557   0.262  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.775   2.121   0.110  1.00  0.00           C  
HETATM   12  N   UNL     1       9.526  -0.604  -0.756  1.00  0.00           N  
HETATM   13  C   UNL     1       0.873   1.487  -0.421  1.00  0.00           C  
HETATM   14  F   UNL     1      -0.120   5.385   0.149  1.00  0.00           F  
HETATM   15  F   UNL     1      -2.188   4.921  -0.702  1.00  0.00           F  
HETATM   16  F   UNL     1      -1.798   4.696   1.538  1.00  0.00           F  
HETATM   17  C   UNL     1      -1.410   0.786  -0.087  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.621  -0.048   0.039  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.691   0.721   0.301  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.062   0.240   0.491  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.102  -0.714   1.657  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.024  -0.726   2.639  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.277  -0.034   3.130  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.888  -1.028   4.145  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.647  -1.825   4.602  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.690  -1.742   3.489  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.571  -2.321   2.995  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.230  -1.703   1.898  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.522  -0.472  -0.755  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.759  -1.002  -0.811  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.183  -1.658  -1.961  1.00  0.00           C  
HETATM   32  S   UNL     1      -8.721  -2.376  -2.168  1.00  0.00           S  
HETATM   33  C   UNL     1      -8.279  -2.878  -3.798  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.032  -2.466  -4.034  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.472  -1.811  -3.034  1.00  0.00           N  
HETATM   36  O   UNL     1      -4.778  -0.567  -1.709  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.262   2.122   0.368  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.647  -1.258  -0.078  1.00  0.00           O  
HETATM   39  C   UNL     1      -0.080   0.470  -0.357  1.00  0.00           C  
HETATM   40  C   UNL     1       5.689   1.610  -1.266  1.00  0.00           C  
HETATM   41  C   UNL     1       7.006   1.298  -1.533  1.00  0.00           C  
HETATM   42  C   UNL     1       9.007  -1.808  -0.095  1.00  0.00           C  
HETATM   43  C   UNL     1       9.658  -1.957   1.282  1.00  0.00           C  
HETATM   44  C   UNL     1      11.177  -2.058   1.114  1.00  0.00           C  
HETATM   45  C   UNL     1      11.685  -0.814   0.380  1.00  0.00           C  
HETATM   46  C   UNL     1      10.975  -0.699  -0.970  1.00  0.00           C  
HETATM   47  C   UNL     1      11.838  -2.147   2.491  1.00  0.00           C  
HETATM   48  O   UNL     1      13.242  -2.359   2.332  1.00  0.00           O  
HETATM   49  H   UNL     1       8.871  -1.243  -2.647  1.00  0.00           H  
HETATM   50  H   UNL     1       9.293   0.482  -2.539  1.00  0.00           H  
HETATM   51  H   UNL     1       6.738  -2.056  -1.833  1.00  0.00           H  
HETATM   52  H   UNL     1       4.384  -1.524  -1.359  1.00  0.00           H  
HETATM   53  H   UNL     1       1.227   3.604  -0.264  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.720   1.086   0.690  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.025   0.905   3.622  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.965   0.141   2.303  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.341  -0.498   4.983  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.222  -1.377   5.499  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.050  -3.158   3.434  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.354  -0.926  -0.049  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.907  -3.424  -4.486  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.524  -2.646  -4.970  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.470   2.532   1.356  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.773   2.708  -0.396  1.00  0.00           H  
HETATM   65  H   UNL     1       0.213  -0.558  -0.511  1.00  0.00           H  
HETATM   66  H   UNL     1       5.398   2.638  -1.107  1.00  0.00           H  
HETATM   67  H   UNL     1       7.747   2.082  -1.579  1.00  0.00           H  
HETATM   68  H   UNL     1       7.926  -1.721   0.022  1.00  0.00           H  
HETATM   69  H   UNL     1       9.237  -2.683  -0.702  1.00  0.00           H  
HETATM   70  H   UNL     1       9.417  -1.088   1.894  1.00  0.00           H  
HETATM   71  H   UNL     1       9.284  -2.859   1.766  1.00  0.00           H  
HETATM   72  H   UNL     1      11.420  -2.948   0.534  1.00  0.00           H  
HETATM   73  H   UNL     1      11.476   0.072   0.978  1.00  0.00           H  
HETATM   74  H   UNL     1      12.760  -0.900   0.221  1.00  0.00           H  
HETATM   75  H   UNL     1      11.196  -1.579  -1.574  1.00  0.00           H  
HETATM   76  H   UNL     1      11.325   0.194  -1.490  1.00  0.00           H  
HETATM   77  H   UNL     1      11.670  -1.218   3.036  1.00  0.00           H  
HETATM   78  H   UNL     1      11.406  -2.978   3.048  1.00  0.00           H  
HETATM   79  H   UNL     1      13.727  -2.425   3.166  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.614  -1.681   3.661  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.916  -2.864   4.790  1.00  0.00           H  
CONECT    1    2   12   49   50                                       
CONECT    2    3    3   41    1                                       
CONECT    3    4    2    2   51                                       
CONECT    4    5    5    3   52                                       
CONECT    5    6    4    4   40                                       
CONECT    6    7    7    7    5                                       
CONECT    7   13    6    6    6                                       
CONECT    8    9    9   13   53                                       
CONECT    9   11   10    8    8                                       
CONECT   10    9   16   15   14                                       
CONECT   11   37   17   17    9                                       
CONECT   12    1   46   42                                            
CONECT   13   39   39    8    7                                       
CONECT   14   10                                                      
CONECT   15   10                                                      
CONECT   16   10                                                      
CONECT   17   18   11   11   39                                       
CONECT   18   38   38   19   17                                       
CONECT   19   20   18   37                                            
CONECT   20   29   21   19   54                                       
CONECT   21   22   22   20   28                                       
CONECT   22   23   26   21   21                                       
CONECT   23   24   22   55   56                                       
CONECT   24   23   25   57   80                                       
CONECT   25   24   26   58   81                                       
CONECT   26   25   22   27                                            
CONECT   27   26   28   28   59                                       
CONECT   28   21   27   27                                            
CONECT   29   30   20   36   36                                       
CONECT   30   31   29   60                                            
CONECT   31   35   35   30   32                                       
CONECT   32   33   31                                                 
CONECT   33   34   34   32   61                                       
CONECT   34   35   33   33   62                                       
CONECT   35   34   31   31                                            
CONECT   36   29   29                                                 
CONECT   37   19   11   63   64                                       
CONECT   38   18   18                                                 
CONECT   39   17   13   13   65                                       
CONECT   40    5   41   41   66                                       
CONECT   41   40   40    2   67                                       
CONECT   42   12   43   68   69                                       
CONECT   43   42   44   70   71                                       
CONECT   44   45   43   47   72                                       
CONECT   45   46   44   73   74                                       
CONECT   46   12   45   75   76                                       
CONECT   47   44   48   77   78                                       
CONECT   48   47   79                                                 
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    8                                                      
CONECT   54   20                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   30                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
CONECT   65   39                                                      
CONECT   66   40                                                      
CONECT   67   41                                                      
CONECT   68   42                                                      
CONECT   69   42                                                      
CONECT   70   43                                                      
CONECT   71   43                                                      
CONECT   72   44                                                      
CONECT   73   45                                                      
CONECT   74   45                                                      
CONECT   75   46                                                      
CONECT   76   46                                                      
CONECT   77   47                                                      
CONECT   78   47                                                      
CONECT   79   48                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
