COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.542  -0.083   0.098  1.00  0.00           C  
HETATM    2  C   UNL     1       0.979  -0.129  -0.103  1.00  0.00           C  
HETATM    3  C   UNL     1       2.382   0.332  -0.164  1.00  0.00           C  
HETATM    4  C   UNL     1       4.702  -0.052   0.192  1.00  0.00           C  
HETATM    5  C   UNL     1       5.745  -0.878  -0.203  1.00  0.00           C  
HETATM    6  C   UNL     1       7.051  -0.414  -0.152  1.00  0.00           C  
HETATM    7  C   UNL     1       6.272   1.695   0.687  1.00  0.00           C  
HETATM    8  C   UNL     1       9.253  -2.955  -1.277  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.887   1.213  -0.189  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.580   1.282  -0.280  1.00  0.00           N  
HETATM   11  N   UNL     1      -5.964   2.382  -0.533  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.654   3.554  -0.730  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.060   3.552  -0.638  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.682   2.369  -0.365  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.627   2.682  -0.667  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.550   4.034  -0.953  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.783   4.523  -0.983  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.522   1.778  -0.536  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.620  -1.910   0.202  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.062   0.777  -0.293  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.895  -3.218   0.445  1.00  0.00           O  
HETATM   22  C   UNL     1       0.239   2.229  -0.560  1.00  0.00           C  
HETATM   23  N   UNL     1       3.384  -0.516   0.142  1.00  0.00           N  
HETATM   24  O   UNL     1       2.632   1.476  -0.490  1.00  0.00           O  
HETATM   25  C   UNL     1       7.312   0.875   0.294  1.00  0.00           C  
HETATM   26  C   UNL     1       4.970   1.234   0.643  1.00  0.00           C  
HETATM   27  N   UNL     1       8.107  -1.246  -0.551  1.00  0.00           N  
HETATM   28  C   UNL     1       8.002  -2.533  -1.010  1.00  0.00           C  
HETATM   29  N   UNL     1      10.102  -1.957  -0.991  1.00  0.00           N  
HETATM   30  C   UNL     1       9.427  -0.926  -0.560  1.00  0.00           C  
HETATM   31  C   UNL     1       9.633  -4.316  -1.801  1.00  0.00           C  
HETATM   32  N   UNL     1      -7.775  -1.198   0.247  1.00  0.00           N  
HETATM   33  O   UNL     1      -9.750  -0.150   0.204  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.466   1.258  -0.428  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.107  -3.501   1.149  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.874  -4.608   0.424  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.659  -1.013   0.013  1.00  0.00           C  
HETATM   38  C   UNL     1       0.694  -1.474   0.145  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.385   0.336  -0.235  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.182  -4.891   1.163  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.363  -4.660   0.219  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.338  -3.666   0.862  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.635  -3.632   0.052  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.498  -2.458   0.521  1.00  0.00           C  
HETATM   45  C   UNL     1       6.558   3.093   1.171  1.00  0.00           C  
HETATM   46  F   UNL     1       7.820   3.128   1.774  1.00  0.00           F  
HETATM   47  F   UNL     1       6.536   3.976   0.086  1.00  0.00           F  
HETATM   48  F   UNL     1       5.586   3.473   2.102  1.00  0.00           F  
HETATM   49  H   UNL     1       5.540  -1.880  -0.550  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.628   4.460  -0.781  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.758   2.316  -0.284  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.643   4.594  -1.122  1.00  0.00           H  
HETATM   53  H   UNL     1       0.450   2.367  -1.621  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.621   2.836  -0.279  1.00  0.00           H  
HETATM   55  H   UNL     1       1.106   2.534   0.025  1.00  0.00           H  
HETATM   56  H   UNL     1       3.191  -1.449   0.328  1.00  0.00           H  
HETATM   57  H   UNL     1       8.328   1.238   0.330  1.00  0.00           H  
HETATM   58  H   UNL     1       4.159   1.878   0.951  1.00  0.00           H  
HETATM   59  H   UNL     1       7.091  -3.100  -1.134  1.00  0.00           H  
HETATM   60  H   UNL     1       9.849   0.020  -0.256  1.00  0.00           H  
HETATM   61  H   UNL     1       9.809  -4.992  -0.964  1.00  0.00           H  
HETATM   62  H   UNL     1       8.825  -4.706  -2.420  1.00  0.00           H  
HETATM   63  H   UNL     1      10.541  -4.235  -2.399  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.808  -1.168   0.177  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.870  -3.827   2.162  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.721  -2.601   1.191  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.094  -4.289  -0.595  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.267  -5.513   0.398  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.682  -1.356   0.058  1.00  0.00           H  
HETATM   70  H   UNL     1       1.501  -2.177   0.292  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.189  -5.926   1.507  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.267  -4.224   2.021  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.999  -4.257  -0.726  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.874  -5.606   0.038  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.554  -3.979   1.884  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.889  -2.673   0.874  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.400  -3.511  -1.005  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.180  -4.565   0.199  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.685  -2.547   1.591  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.444  -2.461  -0.019  1.00  0.00           H  
CONECT    1   33   33    9   32                                       
CONECT    2   20   20   38    3                                       
CONECT    3    2   24   24   23                                       
CONECT    4   23   26   26    5                                       
CONECT    5    4    6    6   49                                       
CONECT    6    5    5   25   27                                       
CONECT    7   26   45   25   25                                       
CONECT    8   28   28   29   31                                       
CONECT    9   14    1   10   10                                       
CONECT   10    9    9   11                                            
CONECT   11   12   10   15                                            
CONECT   12   13   17   17   11                                       
CONECT   13   14   14   12   50                                       
CONECT   14   13   13    9   51                                       
CONECT   15   11   16   16   18                                       
CONECT   16   17   15   15   52                                       
CONECT   17   12   12   16                                            
CONECT   18   15   34   34   34                                       
CONECT   19   37   21   38   38                                       
CONECT   20   39   22    2    2                                       
CONECT   21   35   19                                                 
CONECT   22   20   53   54   55                                       
CONECT   23    3    4   56                                            
CONECT   24    3    3                                                 
CONECT   25    7    7    6   57                                       
CONECT   26    4    4    7   58                                       
CONECT   27    6   28   30                                            
CONECT   28   27    8    8   59                                       
CONECT   29   30   30    8                                            
CONECT   30   27   29   29   60                                       
CONECT   31    8   61   62   63                                       
CONECT   32    1   44   64                                            
CONECT   33    1    1                                                 
CONECT   34   18   18   18   39                                       
CONECT   35   36   21   65   66                                       
CONECT   36   40   35   67   68                                       
CONECT   37   39   39   19   69                                       
CONECT   38   19   19    2   70                                       
CONECT   39   34   37   37   20                                       
CONECT   40   41   36   71   72                                       
CONECT   41   42   40   73   74                                       
CONECT   42   43   41   75   76                                       
CONECT   43   44   42   77   78                                       
CONECT   44   32   43   79   80                                       
CONECT   45   46   48    7   47                                       
CONECT   46   45                                                      
CONECT   47   45                                                      
CONECT   48   45                                                      
CONECT   49    5                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
CONECT   80   44                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
