COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      12.988   2.374  -0.381  1.00  0.00           C  
HETATM    2  C   UNL     1      12.587  -2.215  -2.314  1.00  0.00           C  
HETATM    3  O   UNL     1       9.896   0.503  -1.776  1.00  0.00           O  
HETATM    4  O   UNL     1      13.962  -1.827  -0.365  1.00  0.00           O  
HETATM    5  F   UNL     1      -9.085  -0.284  -2.785  1.00  0.00           F  
HETATM    6  F   UNL     1     -13.146   1.955  -1.814  1.00  0.00           F  
HETATM    7  C   UNL     1     -11.120   0.834  -2.317  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.859   2.000   2.019  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.059   0.736  -0.014  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.483   1.932   1.928  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.683   0.667  -0.108  1.00  0.00           C  
HETATM   12  C   UNL     1       6.157  -0.729   1.631  1.00  0.00           C  
HETATM   13  C   UNL     1       6.059   0.262  -0.559  1.00  0.00           C  
HETATM   14  C   UNL     1       7.533  -0.798   1.537  1.00  0.00           C  
HETATM   15  C   UNL     1       7.435   0.194  -0.651  1.00  0.00           C  
HETATM   16  C   UNL     1     -11.976   1.421  -1.400  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.936  -3.072   1.591  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.579   0.329  -0.550  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.330  -3.158  -0.482  1.00  0.00           C  
HETATM   20  C   UNL     1      10.422  -0.904   1.263  1.00  0.00           C  
HETATM   21  C   UNL     1      13.699   1.032  -0.569  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.098   0.444  -0.787  1.00  0.00           C  
HETATM   23  C   UNL     1       1.915   0.447  -0.427  1.00  0.00           C  
HETATM   24  C   UNL     1       2.085   0.603   1.982  1.00  0.00           C  
HETATM   25  C   UNL     1       3.441   0.462  -0.536  1.00  0.00           C  
HETATM   26  C   UNL     1       3.612   0.619   1.873  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.757   0.832   0.106  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.243  -1.762  -0.405  1.00  0.00           C  
HETATM   29  N   UNL     1     -11.231  -3.550   0.383  1.00  0.00           N  
HETATM   30  N   UNL     1      -9.839  -2.366   1.512  1.00  0.00           N  
HETATM   31  N   UNL     1      11.640  -0.808   0.834  1.00  0.00           N  
HETATM   32  O   UNL     1      -4.005   1.470   1.140  1.00  0.00           O  
HETATM   33  O   UNL     1      -8.118  -0.059   1.327  1.00  0.00           O  
HETATM   34  C   UNL     1      -9.921   0.289  -1.891  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.435   0.915   0.364  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.650   1.403   1.049  1.00  0.00           C  
HETATM   37  C   UNL     1       0.110   1.265   0.863  1.00  0.00           C  
HETATM   38  C   UNL     1       5.416  -0.199   0.583  1.00  0.00           C  
HETATM   39  C   UNL     1       8.175  -0.336   0.396  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.632   1.460  -0.059  1.00  0.00           C  
HETATM   41  C   UNL     1      10.316   0.007  -0.746  1.00  0.00           C  
HETATM   42  C   UNL     1      13.519  -1.240  -1.591  1.00  0.00           C  
HETATM   43  C   UNL     1      12.767   0.058  -1.292  1.00  0.00           C  
HETATM   44  N   UNL     1       1.504   1.196   0.769  1.00  0.00           N  
HETATM   45  N   UNL     1       4.022  -0.130   0.677  1.00  0.00           N  
HETATM   46  N   UNL     1      -9.425  -2.408   0.170  1.00  0.00           N  
HETATM   47  N   UNL     1       9.574  -0.405   0.302  1.00  0.00           N  
HETATM   48  N   UNL     1      11.609  -0.232  -0.443  1.00  0.00           N  
HETATM   49  C   UNL     1      -8.274  -0.265  -0.087  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.708   0.135   1.571  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.252   1.013   0.378  1.00  0.00           C  
HETATM   52  H   UNL     1      12.721   2.783  -1.355  1.00  0.00           H  
HETATM   53  H   UNL     1      12.085   2.227   0.211  1.00  0.00           H  
HETATM   54  H   UNL     1      13.652   3.068   0.134  1.00  0.00           H  
HETATM   55  H   UNL     1      14.602   1.179  -1.161  1.00  0.00           H  
HETATM   56  H   UNL     1      13.966   0.623   0.406  1.00  0.00           H  
HETATM   57  H   UNL     1      11.726  -2.431  -1.683  1.00  0.00           H  
HETATM   58  H   UNL     1      12.249  -1.767  -3.249  1.00  0.00           H  
HETATM   59  H   UNL     1      13.123  -3.140  -2.527  1.00  0.00           H  
HETATM   60  H   UNL     1      14.380  -1.025  -2.223  1.00  0.00           H  
HETATM   61  H   UNL     1      13.247  -2.046   0.248  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.390   0.799  -3.362  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.320   2.515   2.849  1.00  0.00           H  
HETATM   64  H   UNL     1       0.133   2.398   2.683  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.675   0.271  -0.769  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.223   0.147  -0.935  1.00  0.00           H  
HETATM   67  H   UNL     1       5.657  -1.092   2.516  1.00  0.00           H  
HETATM   68  H   UNL     1       8.110  -1.211   2.352  1.00  0.00           H  
HETATM   69  H   UNL     1       5.483   0.674  -1.374  1.00  0.00           H  
HETATM   70  H   UNL     1       7.935   0.553  -1.539  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.299   1.918   0.656  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.512  -3.236   2.489  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.167   0.946   1.410  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.317  -3.396  -1.535  1.00  0.00           H  
HETATM   75  H   UNL     1      10.121  -1.313   2.216  1.00  0.00           H  
HETATM   76  H   UNL     1      12.429   0.505  -2.227  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.515  -0.269  -1.369  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.463   1.250  -1.423  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.490   2.063   0.554  1.00  0.00           H  
HETATM   80  H   UNL     1       1.482   0.912  -1.313  1.00  0.00           H  
HETATM   81  H   UNL     1       1.566  -0.582  -0.350  1.00  0.00           H  
HETATM   82  H   UNL     1       3.749  -0.116  -1.407  1.00  0.00           H  
HETATM   83  H   UNL     1       3.788   1.490  -0.641  1.00  0.00           H  
HETATM   84  H   UNL     1       1.738  -0.424   2.087  1.00  0.00           H  
HETATM   85  H   UNL     1       1.777   1.182   2.853  1.00  0.00           H  
HETATM   86  H   UNL     1       3.961   1.648   1.796  1.00  0.00           H  
HETATM   87  H   UNL     1       4.044   0.154   2.759  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.506   1.280  -0.855  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.518  -0.231   0.086  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.343  -2.205   0.021  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.241  -1.904  -1.486  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.550   0.657   2.514  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.183  -0.820   1.567  1.00  0.00           H  
CONECT    1   21   52   53   54                                       
CONECT    2   42   57   58   59                                       
CONECT    3   41   41                                                 
CONECT    4   42   61                                                 
CONECT    5   34                                                      
CONECT    6   16                                                      
CONECT    7   16   16   34   62                                       
CONECT    8   10   36   36   63                                       
CONECT    9   11   11   36   65                                       
CONECT   10    8   37   37   64                                       
CONECT   11    9    9   37   66                                       
CONECT   12   14   38   38   67                                       
CONECT   13   15   15   38   69                                       
CONECT   14   12   39   39   68                                       
CONECT   15   13   13   39   70                                       
CONECT   16    6    7    7   40                                       
CONECT   17   29   30   30   72                                       
CONECT   18   34   34   35   49                                       
CONECT   19   29   29   46   74                                       
CONECT   20   31   31   47   75                                       
CONECT   21    1   43   55   56                                       
CONECT   22   49   51   77   78                                       
CONECT   23   25   44   80   81                                       
CONECT   24   26   44   84   85                                       
CONECT   25   23   45   82   83                                       
CONECT   26   24   45   86   87                                       
CONECT   27   32   51   88   89                                       
CONECT   28   46   49   90   91                                       
CONECT   29   17   19   19                                            
CONECT   30   17   17   46                                            
CONECT   31   20   20   48                                            
CONECT   32   27   36                                                 
CONECT   33   49   50                                                 
CONECT   34    5    7   18   18                                       
CONECT   35   18   40   40   73                                       
CONECT   36    8    8    9   32                                       
CONECT   37   10   10   11   44                                       
CONECT   38   12   12   13   45                                       
CONECT   39   14   14   15   47                                       
CONECT   40   16   35   35   71                                       
CONECT   41    3    3   47   48                                       
CONECT   42    2    4   43   60                                       
CONECT   43   21   42   48   76                                       
CONECT   44   23   24   37                                            
CONECT   45   25   26   38                                            
CONECT   46   19   28   30                                            
CONECT   47   20   39   41                                            
CONECT   48   31   41   43                                            
CONECT   49   18   22   28   33                                       
CONECT   50   33   51   92   93                                       
CONECT   51   22   27   50   79                                       
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57    2                                                      
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60   42                                                      
CONECT   61    4                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64   10                                                      
CONECT   65    9                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   14                                                      
CONECT   69   13                                                      
CONECT   70   15                                                      
CONECT   71   40                                                      
CONECT   72   17                                                      
CONECT   73   35                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   43                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   51                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   27                                                      
CONECT   89   27                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   50                                                      
CONECT   93   50                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
