COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.629  -0.292   1.825  1.00  0.00           O  
HETATM    2  C   UNL     1       2.543  -0.436   0.620  1.00  0.00           C  
HETATM    3  N   UNL     1       1.516   0.118  -0.054  1.00  0.00           N  
HETATM    4  C   UNL     1       0.502   0.894   0.664  1.00  0.00           C  
HETATM    5  C   UNL     1       0.984   2.337   0.825  1.00  0.00           C  
HETATM    6  C   UNL     1       2.205   2.364   1.707  1.00  0.00           C  
HETATM    7  C   UNL     1       2.066   2.497   3.076  1.00  0.00           C  
HETATM    8  C   UNL     1       3.186   2.521   3.886  1.00  0.00           C  
HETATM    9  C   UNL     1       4.447   2.413   3.325  1.00  0.00           C  
HETATM   10  C   UNL     1       4.585   2.280   1.954  1.00  0.00           C  
HETATM   11  C   UNL     1       3.464   2.250   1.147  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.788   0.878  -0.115  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.868   1.531   0.357  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.122   1.516  -0.400  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.095   2.624  -1.454  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.026   2.306  -2.501  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.847   3.511  -3.428  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.987   3.081  -4.622  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.781   2.081  -5.464  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.314   1.016  -4.622  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.452   1.108  -3.300  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.945   0.171  -2.709  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.296   1.747   0.553  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.207   3.060   1.110  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.252   0.727   1.662  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.422  -0.580   1.383  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.379  -1.571   2.461  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.596  -2.948   1.887  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.877  -3.456   1.776  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.077  -4.716   1.245  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.996  -5.468   0.823  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.716  -4.959   0.933  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.516  -3.699   1.465  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.062   1.083   2.806  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.854   0.278  -1.166  1.00  0.00           O  
HETATM   36  C   UNL     1       3.564  -1.210  -0.101  1.00  0.00           C  
HETATM   37  C   UNL     1       4.639  -1.811   0.471  1.00  0.00           C  
HETATM   38  C   UNL     1       5.370  -2.457  -0.619  1.00  0.00           C  
HETATM   39  C   UNL     1       6.537  -3.221  -0.689  1.00  0.00           C  
HETATM   40  C   UNL     1       6.966  -3.691  -1.899  1.00  0.00           C  
HETATM   41  C   UNL     1       6.250  -3.415  -3.055  1.00  0.00           C  
HETATM   42  C   UNL     1       5.096  -2.663  -3.007  1.00  0.00           C  
HETATM   43  C   UNL     1       4.640  -2.174  -1.788  1.00  0.00           C  
HETATM   44  O   UNL     1       3.571  -1.435  -1.432  1.00  0.00           O  
HETATM   45  F   UNL     1       5.542   2.437   4.116  1.00  0.00           F  
HETATM   46  H   UNL     1       1.448   0.002  -1.015  1.00  0.00           H  
HETATM   47  H   UNL     1       0.338   0.454   1.648  1.00  0.00           H  
HETATM   48  H   UNL     1       1.233   2.748  -0.154  1.00  0.00           H  
HETATM   49  H   UNL     1       0.194   2.935   1.280  1.00  0.00           H  
HETATM   50  H   UNL     1       1.082   2.582   3.513  1.00  0.00           H  
HETATM   51  H   UNL     1       3.077   2.625   4.955  1.00  0.00           H  
HETATM   52  H   UNL     1       5.569   2.196   1.516  1.00  0.00           H  
HETATM   53  H   UNL     1       3.572   2.142   0.078  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.815   2.011   1.199  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.238   0.550  -0.891  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.069   2.690  -1.938  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.862   3.575  -0.975  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.082   2.091  -2.001  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.821   3.850  -3.781  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.351   4.318  -2.889  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.739   3.953  -5.228  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.070   2.613  -4.263  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.606   2.598  -5.955  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.128   1.649  -6.222  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.586   0.190  -5.052  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.234   1.647   0.006  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.396   3.220   1.612  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.574  -0.865   0.468  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.407  -1.532   2.951  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.162  -1.353   3.187  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.721  -2.869   2.106  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.077  -5.114   1.160  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.152  -6.453   0.409  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.871  -5.547   0.603  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.515  -3.300   1.547  1.00  0.00           H  
HETATM   76  H   UNL     1       4.901  -1.811   1.519  1.00  0.00           H  
HETATM   77  H   UNL     1       7.098  -3.438   0.207  1.00  0.00           H  
HETATM   78  H   UNL     1       7.868  -4.282  -1.955  1.00  0.00           H  
HETATM   79  H   UNL     1       6.601  -3.793  -4.004  1.00  0.00           H  
HETATM   80  H   UNL     1       4.547  -2.454  -3.913  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   36    3                                       
CONECT    3    2    4   46                                            
CONECT    4   12    3    5   47                                       
CONECT    5    4    6   48   49                                       
CONECT    6    5   11   11    7                                       
CONECT    7    6    8    8   50                                       
CONECT    8    7    7    9   51                                       
CONECT    9   10   10    8   45                                       
CONECT   10   11    9    9   52                                       
CONECT   11    6    6   10   53                                       
CONECT   12   35   35   13    4                                       
CONECT   13   14   12   54                                            
CONECT   14   15   23   13   55                                       
CONECT   15   16   14   56   57                                       
CONECT   16   17   21   15   58                                       
CONECT   17   18   16   59   60                                       
CONECT   18   19   17   61   62                                       
CONECT   19   18   20   63   64                                       
CONECT   20   19   21   65                                            
CONECT   21   20   16   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   25   14   24   66                                       
CONECT   24   23   67                                                 
CONECT   25   26   34   34   23                                       
CONECT   26   27   25   68                                            
CONECT   27   28   26   69   70                                       
CONECT   28   29   29   33   27                                       
CONECT   29   30   28   28   71                                       
CONECT   30   31   31   29   72                                       
CONECT   31   30   30   32   73                                       
CONECT   32   31   33   33   74                                       
CONECT   33   32   32   28   75                                       
CONECT   34   25   25                                                 
CONECT   35   12   12                                                 
CONECT   36    2   37   37   44                                       
CONECT   37   36   36   38   76                                       
CONECT   38   37   39   39   43                                       
CONECT   39   38   38   40   77                                       
CONECT   40   39   41   41   78                                       
CONECT   41   40   40   42   79                                       
CONECT   42   43   43   41   80                                       
CONECT   43   38   44   42   42                                       
CONECT   44   36   43                                                 
CONECT   45    9                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   37                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
