COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.585   3.485   1.144  1.00  0.00           C  
HETATM    2  C   UNL     1       1.694   1.497   0.394  1.00  0.00           C  
HETATM    3  C   UNL     1       1.044   0.178  -0.028  1.00  0.00           C  
HETATM    4  C   UNL     1       1.973  -0.985   0.327  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.175  -0.727  -0.072  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.466  -0.886   0.761  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.602  -0.776  -0.281  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.863  -0.564  -1.620  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.638   0.411  -2.508  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.493  -1.983   0.563  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.088  -3.392   0.631  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.783   4.148   0.960  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.330  -3.371   1.528  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.326  -2.345   0.978  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.644  -0.976   0.897  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.614   0.041   0.293  1.00  0.00           C  
HETATM   17  C   UNL     1       6.919  -3.069   0.666  1.00  0.00           C  
HETATM   18  C   UNL     1       5.176  -2.291  -0.917  1.00  0.00           C  
HETATM   19  C   UNL     1       7.935  -4.178   0.946  1.00  0.00           C  
HETATM   20  C   UNL     1       6.091  -3.436  -0.567  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.775   4.966  -0.335  1.00  0.00           C  
HETATM   22  C   UNL     1       0.363   5.990  -0.272  1.00  0.00           C  
HETATM   23  C   UNL     1       1.687   5.256  -0.041  1.00  0.00           C  
HETATM   24  C   UNL     1       2.821   6.275   0.083  1.00  0.00           C  
HETATM   25  C   UNL     1       3.305  -0.816  -0.407  1.00  0.00           C  
HETATM   26  C   UNL     1       3.955   0.504   0.014  1.00  0.00           C  
HETATM   27  C   UNL     1       3.026   1.666  -0.340  1.00  0.00           C  
HETATM   28  F   UNL     1       7.595  -1.866   0.433  1.00  0.00           F  
HETATM   29  N   UNL     1      -7.960   1.355   0.215  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.823   3.114   0.881  1.00  0.00           N  
HETATM   31  N   UNL     1      -6.465  -3.830  -0.719  1.00  0.00           N  
HETATM   32  N   UNL     1       8.730  -3.826   2.130  1.00  0.00           N  
HETATM   33  N   UNL     1       4.080   5.575   0.371  1.00  0.00           N  
HETATM   34  N   UNL     1       4.194  -1.929  -0.067  1.00  0.00           N  
HETATM   35  N   UNL     1       3.650   2.933   0.064  1.00  0.00           N  
HETATM   36  O   UNL     1       0.826   2.583   0.062  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.200   0.020   0.658  1.00  0.00           O  
HETATM   38  O   UNL     1       1.365  -2.217  -0.066  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.494  -2.162   1.404  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.585  -0.002  -1.252  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.001   0.504  -3.784  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.367  -1.982  -0.316  1.00  0.00           O  
HETATM   43  O   UNL     1       6.965  -3.700  -1.667  1.00  0.00           O  
HETATM   44  O   UNL     1       5.323  -1.695  -1.963  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.480  -1.073   0.074  1.00  0.00           O  
HETATM   46  O   UNL     1       1.601   4.490   1.163  1.00  0.00           O  
HETATM   47  H   UNL     1       0.599   2.936   2.085  1.00  0.00           H  
HETATM   48  H   UNL     1       1.871   1.488   1.469  1.00  0.00           H  
HETATM   49  H   UNL     1       0.867   0.187  -1.103  1.00  0.00           H  
HETATM   50  H   UNL     1       2.149  -0.994   1.403  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.776  -1.704  -0.347  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.545  -0.087   1.498  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.242   0.077  -0.059  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.726  -1.516  -2.133  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.659   0.052  -2.637  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.655   1.395  -2.038  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.176  -1.673   1.560  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.350  -4.079   1.045  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.985   4.806   1.806  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.791  -4.358   1.535  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.043  -3.093   2.542  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.651  -2.649  -0.017  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.189  -2.283   1.641  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.356  -0.654   1.898  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.901  -0.281  -0.708  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.502   0.115   0.921  1.00  0.00           H  
HETATM   67  H   UNL     1       6.259  -2.954   1.526  1.00  0.00           H  
HETATM   68  H   UNL     1       7.408  -5.115   1.128  1.00  0.00           H  
HETATM   69  H   UNL     1       8.595  -4.293   0.086  1.00  0.00           H  
HETATM   70  H   UNL     1       5.496  -4.324  -0.355  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.622   4.302  -1.185  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.727   5.486  -0.443  1.00  0.00           H  
HETATM   73  H   UNL     1       0.411   6.539  -1.212  1.00  0.00           H  
HETATM   74  H   UNL     1       0.183   6.685   0.548  1.00  0.00           H  
HETATM   75  H   UNL     1       1.885   4.591  -0.881  1.00  0.00           H  
HETATM   76  H   UNL     1       2.917   6.826  -0.852  1.00  0.00           H  
HETATM   77  H   UNL     1       2.598   6.970   0.893  1.00  0.00           H  
HETATM   78  H   UNL     1       3.128  -0.807  -1.482  1.00  0.00           H  
HETATM   79  H   UNL     1       4.131   0.495   1.090  1.00  0.00           H  
HETATM   80  H   UNL     1       4.904   0.624  -0.508  1.00  0.00           H  
HETATM   81  H   UNL     1       2.850   1.675  -1.416  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.099   1.299  -0.308  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.580   2.045  -0.181  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.735   3.527   0.760  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.623   2.456   0.143  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.860  -4.759  -0.701  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.101  -3.175  -1.148  1.00  0.00           H  
HETATM   88  H   UNL     1       8.135  -3.651   2.926  1.00  0.00           H  
HETATM   89  H   UNL     1       9.408  -4.544   2.337  1.00  0.00           H  
HETATM   90  H   UNL     1       4.856   6.219   0.390  1.00  0.00           H  
HETATM   91  H   UNL     1       4.017   5.058   1.235  1.00  0.00           H  
HETATM   92  H   UNL     1       4.077  -2.406   0.770  1.00  0.00           H  
HETATM   93  H   UNL     1       4.578   3.019  -0.323  1.00  0.00           H  
HETATM   94  H   UNL     1       3.075   3.720  -0.198  1.00  0.00           H  
HETATM   95  H   UNL     1       1.900  -2.999   0.129  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.766  -2.306   2.025  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.440   1.106  -4.400  1.00  0.00           H  
HETATM   98  H   UNL     1       7.525  -2.951  -1.912  1.00  0.00           H  
CONECT    1   36   46   12   47                                       
CONECT    2    3   36   27   48                                       
CONECT    3   37    4    2   49                                       
CONECT    4   38    3   25   50                                       
CONECT    5    6   40   37   51                                       
CONECT    6   39    7    5   52                                       
CONECT    7   42    6    8   53                                       
CONECT    8    7    9   40   54                                       
CONECT    9    8   41   55   56                                       
CONECT   10   11   42   45   57                                       
CONECT   11   13   31   10   58                                       
CONECT   12    1   30   21   59                                       
CONECT   13   11   14   60   61                                       
CONECT   14   13   15   62   63                                       
CONECT   15   14   45   16   64                                       
CONECT   16   15   29   65   66                                       
CONECT   17   28   19   20   67                                       
CONECT   18   20   34   44   44                                       
CONECT   19   32   17   68   69                                       
CONECT   20   17   43   18   70                                       
CONECT   21   12   22   71   72                                       
CONECT   22   23   21   73   74                                       
CONECT   23   46   24   22   75                                       
CONECT   24   33   23   76   77                                       
CONECT   25    4   34   26   78                                       
CONECT   26   25   27   79   80                                       
CONECT   27    2   26   35   81                                       
CONECT   28   17                                                      
CONECT   29   16   82   83                                            
CONECT   30   12   84   85                                            
CONECT   31   11   86   87                                            
CONECT   32   19   88   89                                            
CONECT   33   24   90   91                                            
CONECT   34   18   25   92                                            
CONECT   35   27   93   94                                            
CONECT   36    2    1                                                 
CONECT   37    5    3                                                 
CONECT   38    4   95                                                 
CONECT   39    6   96                                                 
CONECT   40    8    5                                                 
CONECT   41    9   97                                                 
CONECT   42   10    7                                                 
CONECT   43   20   98                                                 
CONECT   44   18   18                                                 
CONECT   45   10   15                                                 
CONECT   46    1   23                                                 
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
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   33                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   41                                                      
CONECT   98   43                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
