COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -1.721   7.029  -1.011  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.272   6.448  -2.182  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.394   6.268  -0.075  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.497   5.104  -2.417  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.619   4.924  -0.309  1.00  0.00           C  
HETATM    6  C   UNL     1       0.178  -2.847  -2.683  1.00  0.00           C  
HETATM    7  C   UNL     1       1.247  -3.827  -0.778  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.868  -4.671  -1.530  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.170   4.342  -1.480  1.00  0.00           C  
HETATM   10  C   UNL     1       1.236  -2.891  -1.795  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.875  -3.737  -2.552  1.00  0.00           C  
HETATM   12  C   UNL     1       0.198  -4.722  -0.649  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.805   0.271   0.647  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.253  -1.727   2.840  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.292  -0.222  -1.012  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.960  -0.391  -0.214  1.00  0.00           C  
HETATM   17  C   UNL     1       5.749   0.542  -0.579  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.846  -0.513  -1.275  1.00  0.00           C  
HETATM   19  C   UNL     1       5.657  -0.700   1.532  1.00  0.00           C  
HETATM   20  C   UNL     1       6.627   0.037   0.589  1.00  0.00           C  
HETATM   21  C   UNL     1       4.518  -0.396  -0.518  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.142  -0.279   1.093  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.985  -3.095   3.411  1.00  0.00           C  
HETATM   24  C   UNL     1      10.412   1.754   3.173  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.657   0.920   3.745  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.116  -0.133   1.526  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.416   2.878  -1.736  1.00  0.00           C  
HETATM   28  C   UNL     1       2.378  -1.919  -1.936  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.819   0.687   2.068  1.00  0.00           C  
HETATM   30  C   UNL     1       9.056   2.081   2.545  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.247   2.060  -1.184  1.00  0.00           C  
HETATM   32  C   UNL     1       8.501   0.835   1.852  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.497   0.573  -1.444  1.00  0.00           C  
HETATM   34  C   UNL     1       3.299   0.270  -1.159  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.080   0.034   2.639  1.00  0.00           C  
HETATM   36  C   UNL     1       2.101  -0.679  -1.084  1.00  0.00           C  
HETATM   37  N   UNL     1       4.306  -0.586   0.940  1.00  0.00           N  
HETATM   38  N   UNL     1      -2.670   0.134  -0.683  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.974  -1.597   1.709  1.00  0.00           N  
HETATM   40  N   UNL     1       0.906   0.003  -1.588  1.00  0.00           N  
HETATM   41  O   UNL     1      -1.977   0.767   1.382  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.818  -0.741   3.398  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.400  -1.064  -0.146  1.00  0.00           O  
HETATM   44  O   UNL     1       3.583   0.571  -2.526  1.00  0.00           O  
HETATM   45  O   UNL     1       7.234   1.139   1.266  1.00  0.00           O  
HETATM   46  F   UNL     1      -1.910  -3.693  -3.420  1.00  0.00           F  
HETATM   47  F   UNL     1       0.215  -5.644   0.339  1.00  0.00           F  
HETATM   48  H   UNL     1      -1.541   8.078  -0.826  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.746   7.043  -2.914  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.744   6.722   0.840  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.147   4.649  -3.332  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.145   4.329   0.423  1.00  0.00           H  
HETATM   53  H   UNL     1       0.170  -2.115  -3.478  1.00  0.00           H  
HETATM   54  H   UNL     1       2.074  -3.861  -0.085  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.686  -5.368  -1.429  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.559   0.505  -0.377  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.589  -1.282  -0.204  1.00  0.00           H  
HETATM   58  H   UNL     1       5.452   1.579  -0.418  1.00  0.00           H  
HETATM   59  H   UNL     1       6.271   0.433  -1.529  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.635  -1.562  -1.482  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.139   0.001  -2.190  1.00  0.00           H  
HETATM   62  H   UNL     1       5.941  -1.749   1.610  1.00  0.00           H  
HETATM   63  H   UNL     1       5.670  -0.237   2.518  1.00  0.00           H  
HETATM   64  H   UNL     1       7.390  -0.648   0.220  1.00  0.00           H  
HETATM   65  H   UNL     1       4.735  -1.347  -1.005  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.017  -3.452   3.061  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.980  -3.040   4.499  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.765  -3.784   3.086  1.00  0.00           H  
HETATM   69  H   UNL     1      10.807   2.642   3.667  1.00  0.00           H  
HETATM   70  H   UNL     1      10.291   0.955   3.904  1.00  0.00           H  
HETATM   71  H   UNL     1      11.105   1.433   2.395  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.555   0.455   4.152  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.918   1.039   4.537  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.909   1.897   3.333  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.223   0.807   0.985  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.789  -0.913   0.839  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.076  -0.412   1.962  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.339   2.572  -1.242  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.506   2.706  -2.809  1.00  0.00           H  
HETATM   80  H   UNL     1       3.301  -2.391  -1.600  1.00  0.00           H  
HETATM   81  H   UNL     1       2.480  -1.626  -2.981  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.133   0.924   2.881  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.090   1.602   1.543  1.00  0.00           H  
HETATM   84  H   UNL     1       8.363   2.402   3.323  1.00  0.00           H  
HETATM   85  H   UNL     1       9.177   2.880   1.814  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.325   2.365  -1.679  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.158   2.231  -0.112  1.00  0.00           H  
HETATM   88  H   UNL     1       9.194   0.513   1.074  1.00  0.00           H  
HETATM   89  H   UNL     1       8.380   0.036   2.583  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.674   0.415  -2.508  1.00  0.00           H  
HETATM   91  H   UNL     1       3.066   1.192  -0.625  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.828  -0.944   3.051  1.00  0.00           H  
HETATM   93  H   UNL     1       1.938  -0.978  -0.049  1.00  0.00           H  
HETATM   94  H   UNL     1       3.761  -1.415   1.121  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.383  -2.378   1.303  1.00  0.00           H  
HETATM   96  H   UNL     1       0.976   0.615  -2.337  1.00  0.00           H  
HETATM   97  H   UNL     1       3.800  -0.204  -3.063  1.00  0.00           H  
CONECT    1    3    3    2   48                                       
CONECT    2    1    4    4   49                                       
CONECT    3    1    1    5   50                                       
CONECT    4    2    2    9   51                                       
CONECT    5    3    9    9   52                                       
CONECT    6   11   11   10   53                                       
CONECT    7   12   10   10   54                                       
CONECT    8   11   12   12   55                                       
CONECT    9    4    5    5   27                                       
CONECT   10    6    7    7   28                                       
CONECT   11    6    6    8   46                                       
CONECT   12    7    8    8   47                                       
CONECT   13   38   41   41   22                                       
CONECT   14   42   42   23   39                                       
CONECT   15   33   43   43   40                                       
CONECT   16   18   22   56   57                                       
CONECT   17   20   21   58   59                                       
CONECT   18   16   38   60   61                                       
CONECT   19   20   37   62   63                                       
CONECT   20   17   19   45   64                                       
CONECT   21   17   34   37   65                                       
CONECT   22   13   16   39   29                                       
CONECT   23   14   66   67   68                                       
CONECT   24   30   69   70   71                                       
CONECT   25   35   72   73   74                                       
CONECT   26   35   75   76   77                                       
CONECT   27    9   31   78   79                                       
CONECT   28   10   36   80   81                                       
CONECT   29   22   35   82   83                                       
CONECT   30   24   32   84   85                                       
CONECT   31   27   33   86   87                                       
CONECT   32   30   45   88   89                                       
CONECT   33   15   31   38   90                                       
CONECT   34   21   36   44   91                                       
CONECT   35   25   26   29   92                                       
CONECT   36   28   34   40   93                                       
CONECT   37   19   21   94                                            
CONECT   38   13   18   33                                            
CONECT   39   14   22   95                                            
CONECT   40   15   36   96                                            
CONECT   41   13   13                                                 
CONECT   42   14   14                                                 
CONECT   43   15   15                                                 
CONECT   44   34   97                                                 
CONECT   45   20   32                                                 
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   44                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
