COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       6.843   2.300   0.453  1.00  0.00           F  
HETATM    2  F   UNL     1       6.991  -2.391  -0.249  1.00  0.00           F  
HETATM    3  O   UNL     1       5.549  -0.117   0.292  1.00  0.00           O  
HETATM    4  O   UNL     1       2.978  -0.259   0.695  1.00  0.00           O  
HETATM    5  C   UNL     1       3.275  -0.075  -0.467  1.00  0.00           C  
HETATM    6  C   UNL     1       4.724   0.030  -0.866  1.00  0.00           C  
HETATM    7  C   UNL     1       9.634   0.097  -0.277  1.00  0.00           C  
HETATM    8  C   UNL     1       8.914   1.246  -0.005  1.00  0.00           C  
HETATM    9  C   UNL     1       7.545   1.177   0.186  1.00  0.00           C  
HETATM   10  C   UNL     1       6.895  -0.047   0.104  1.00  0.00           C  
HETATM   11  C   UNL     1       7.620  -1.198  -0.169  1.00  0.00           C  
HETATM   12  C   UNL     1       8.989  -1.123  -0.359  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.354  -0.755  -1.783  1.00  0.00           C  
HETATM   14  N   UNL     1       2.309   0.034  -1.400  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.239  -0.059  -2.233  1.00  0.00           O  
HETATM   16  C   UNL     1       0.073  -0.532  -2.213  1.00  0.00           C  
HETATM   17  C   UNL     1       1.130   1.700   0.711  1.00  0.00           C  
HETATM   18  C   UNL     1       0.399   1.299  -0.544  1.00  0.00           C  
HETATM   19  C   UNL     1       2.472   2.435   3.014  1.00  0.00           C  
HETATM   20  C   UNL     1       0.900  -0.069  -1.012  1.00  0.00           C  
HETATM   21  O   UNL     1       0.112   0.469  -3.233  1.00  0.00           O  
HETATM   22  C   UNL     1       2.308   2.418   0.625  1.00  0.00           C  
HETATM   23  C   UNL     1       0.620   1.354   1.948  1.00  0.00           C  
HETATM   24  C   UNL     1       2.979   2.786   1.777  1.00  0.00           C  
HETATM   25  C   UNL     1       1.293   1.717   3.100  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.541  -0.753   0.221  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.647  -1.730  -0.899  1.00  0.00           N  
HETATM   28  O   UNL     1      -2.777   0.106   0.608  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.005  -1.992  -0.449  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.099  -3.173   0.544  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.613  -2.609  -0.319  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.350  -4.014   0.281  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.066  -2.679   1.992  1.00  0.00           C  
HETATM   34  S   UNL     1      -1.571  -4.115   0.131  1.00  0.00           S  
HETATM   35  N   UNL     1      -4.869  -0.599   0.390  1.00  0.00           N  
HETATM   36  O   UNL     1      -6.975  -1.050   1.899  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.390   0.606   1.041  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.580   1.712   0.024  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.656   2.561  -0.561  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.067   3.509  -1.478  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.798   0.339   1.615  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.918   1.814  -0.311  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.327   2.765  -1.230  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.404   3.611  -1.813  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.717   0.783   0.457  1.00  0.00           C  
HETATM   46  H   UNL     1       4.906   1.004  -1.320  1.00  0.00           H  
HETATM   47  H   UNL     1       4.962  -0.755  -1.584  1.00  0.00           H  
HETATM   48  H   UNL     1      10.701   0.154  -0.429  1.00  0.00           H  
HETATM   49  H   UNL     1       9.421   2.197   0.059  1.00  0.00           H  
HETATM   50  H   UNL     1       9.554  -2.019  -0.572  1.00  0.00           H  
HETATM   51  H   UNL     1       2.547   0.181  -2.329  1.00  0.00           H  
HETATM   52  H   UNL     1       0.486  -1.463  -2.601  1.00  0.00           H  
HETATM   53  H   UNL     1       0.583   2.039  -1.323  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.670   1.244  -0.340  1.00  0.00           H  
HETATM   55  H   UNL     1       2.996   2.721   3.914  1.00  0.00           H  
HETATM   56  H   UNL     1       0.799  -0.790  -0.201  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.240   1.326  -2.956  1.00  0.00           H  
HETATM   58  H   UNL     1       2.705   2.692  -0.341  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.302   0.796   2.015  1.00  0.00           H  
HETATM   60  H   UNL     1       3.900   3.346   1.710  1.00  0.00           H  
HETATM   61  H   UNL     1       0.897   1.443   4.066  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.626  -2.213  -1.317  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.171  -2.153   0.567  1.00  0.00           H  
HETATM   64  H   UNL     1       0.154  -2.844  -1.057  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.331  -4.901   0.914  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.239  -3.424   0.509  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.373  -4.314  -0.766  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.191  -2.046   2.139  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.969  -2.104   2.200  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.016  -3.533   2.666  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.481  -1.285   0.080  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.844  -1.270   2.262  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.713   0.931   1.831  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.612   2.482  -0.300  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.344   4.170  -1.933  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.973   0.941   2.506  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.372   2.845  -1.492  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.727   4.352  -2.530  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.956  -0.065  -0.184  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.631   1.230   0.850  1.00  0.00           H  
CONECT    1    9                                                      
CONECT    2   11                                                      
CONECT    3    6   10                                                 
CONECT    4    5    5                                                 
CONECT    5   14    4    4    6                                       
CONECT    6    3    5   46   47                                       
CONECT    7    8    8   12   48                                       
CONECT    8    7    7    9   49                                       
CONECT    9    1    8   10   10                                       
CONECT   10    3    9    9   11                                       
CONECT   11    2   10   12   12                                       
CONECT   12    7   11   11   50                                       
CONECT   13   27   15   15   16                                       
CONECT   14    5   20   51                                            
CONECT   15   13   13                                                 
CONECT   16   21   20   13   52                                       
CONECT   17   18   22   22   23                                       
CONECT   18   20   17   53   54                                       
CONECT   19   24   24   25   55                                       
CONECT   20   14   16   18   56                                       
CONECT   21   16   57                                                 
CONECT   22   17   17   24   58                                       
CONECT   23   17   25   25   59                                       
CONECT   24   22   19   19   60                                       
CONECT   25   19   23   23   61                                       
CONECT   26   35   28   28   29                                       
CONECT   27   13   29   31                                            
CONECT   28   26   26                                                 
CONECT   29   27   30   26   62                                       
CONECT   30   34   29   32   33                                       
CONECT   31   34   27   63   64                                       
CONECT   32   30   65   66   67                                       
CONECT   33   30   68   69   70                                       
CONECT   34   30   31                                                 
CONECT   35   26   37   71                                            
CONECT   36   41   72                                                 
CONECT   37   35   38   41   73                                       
CONECT   38   37   39   39   42                                       
CONECT   39   38   38   40   74                                       
CONECT   40   39   44   44   75                                       
CONECT   41   36   37   45   76                                       
CONECT   42   38   43   43   45                                       
CONECT   43   42   42   44   77                                       
CONECT   44   40   40   43   78                                       
CONECT   45   41   42   79   80                                       
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
