COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      16.862  -0.761   1.002  1.00  0.00           C  
HETATM    2  C   UNL     1       6.328   0.897   0.130  1.00  0.00           C  
HETATM    3  C   UNL     1       5.119   0.432  -0.369  1.00  0.00           C  
HETATM    4  C   UNL     1       3.930   1.013   0.043  1.00  0.00           C  
HETATM    5  C   UNL     1       2.716   0.546  -0.459  1.00  0.00           C  
HETATM    6  C   UNL     1       1.530   1.126  -0.048  1.00  0.00           C  
HETATM    7  C   UNL     1       0.313   0.658  -0.550  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.870   1.236  -0.140  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.090   0.768  -0.644  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.270   1.344  -0.235  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.494   0.874  -0.740  1.00  0.00           C  
HETATM   12  C   UNL     1      16.087   0.501   0.618  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.660   1.444  -0.336  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.894   0.970  -0.845  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.042   1.530  -0.448  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.354   1.026  -0.990  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.944  -0.002  -0.022  1.00  0.00           C  
HETATM   18  C   UNL     1     -11.257  -0.506  -0.564  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.352  -0.474   0.200  1.00  0.00           C  
HETATM   20  C   UNL     1     -13.647  -0.854  -0.361  1.00  0.00           C  
HETATM   21  C   UNL     1     -14.758  -0.821   0.415  1.00  0.00           C  
HETATM   22  C   UNL     1     -16.007  -1.187  -0.126  1.00  0.00           C  
HETATM   23  C   UNL     1      14.780   0.113  -0.023  1.00  0.00           C  
HETATM   24  C   UNL     1      18.130  -0.369   1.764  1.00  0.00           C  
HETATM   25  C   UNL     1      15.986  -1.647   1.891  1.00  0.00           C  
HETATM   26  C   UNL     1      12.352  -0.713  -1.349  1.00  0.00           C  
HETATM   27  C   UNL     1       7.510  -0.757  -1.216  1.00  0.00           C  
HETATM   28  C   UNL     1       2.696  -0.590  -1.449  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.250   2.480   0.755  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.022   2.666   0.542  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.252  -0.048   1.642  1.00  0.00           C  
HETATM   32  C   UNL     1     -17.121  -1.155   0.652  1.00  0.00           C  
HETATM   33  C   UNL     1      13.630   0.584   0.467  1.00  0.00           C  
HETATM   34  C   UNL     1     -18.374  -1.521   0.108  1.00  0.00           C  
HETATM   35  C   UNL     1      17.951  -2.681   0.068  1.00  0.00           C  
HETATM   36  C   UNL     1     -17.021  -0.728   2.094  1.00  0.00           C  
HETATM   37  C   UNL     1      12.362   0.207  -0.155  1.00  0.00           C  
HETATM   38  C   UNL     1      11.194   0.685   0.342  1.00  0.00           C  
HETATM   39  C   UNL     1       9.971   0.321  -0.258  1.00  0.00           C  
HETATM   40  C   UNL     1       8.802   0.800   0.240  1.00  0.00           C  
HETATM   41  C   UNL     1       7.529   0.310  -0.286  1.00  0.00           C  
HETATM   42  O   UNL     1      17.220  -1.479  -0.181  1.00  0.00           O  
HETATM   43  O   UNL     1       8.554  -1.248  -1.598  1.00  0.00           O  
HETATM   44  O   UNL     1     -19.480  -1.489   0.881  1.00  0.00           O  
HETATM   45  O   UNL     1     -18.454  -1.866  -1.056  1.00  0.00           O  
HETATM   46  H   UNL     1       6.342   1.711   0.840  1.00  0.00           H  
HETATM   47  H   UNL     1       5.105  -0.382  -1.079  1.00  0.00           H  
HETATM   48  H   UNL     1       3.944   1.827   0.752  1.00  0.00           H  
HETATM   49  H   UNL     1       1.544   1.940   0.661  1.00  0.00           H  
HETATM   50  H   UNL     1       0.299  -0.156  -1.260  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.856   2.050   0.569  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.104  -0.047  -1.353  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.508   0.060  -1.449  1.00  0.00           H  
HETATM   54  H   UNL     1      15.892   1.093   1.512  1.00  0.00           H  
HETATM   55  H   UNL     1      16.676   1.089  -0.085  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.646   2.258   0.374  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.909   0.156  -1.555  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.046   1.860  -1.101  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.191   0.558  -1.961  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.252  -0.836   0.089  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.108   0.466   0.949  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.313  -0.893  -1.571  1.00  0.00           H  
HETATM   63  H   UNL     1     -13.718  -1.159  -1.395  1.00  0.00           H  
HETATM   64  H   UNL     1     -14.687  -0.515   1.449  1.00  0.00           H  
HETATM   65  H   UNL     1     -16.079  -1.493  -1.160  1.00  0.00           H  
HETATM   66  H   UNL     1      14.773  -0.547  -0.878  1.00  0.00           H  
HETATM   67  H   UNL     1      18.754   0.262   1.131  1.00  0.00           H  
HETATM   68  H   UNL     1      17.857   0.178   2.666  1.00  0.00           H  
HETATM   69  H   UNL     1      18.682  -1.268   2.037  1.00  0.00           H  
HETATM   70  H   UNL     1      16.538  -2.546   2.164  1.00  0.00           H  
HETATM   71  H   UNL     1      15.714  -1.099   2.793  1.00  0.00           H  
HETATM   72  H   UNL     1      15.083  -1.926   1.348  1.00  0.00           H  
HETATM   73  H   UNL     1      12.284  -1.747  -1.010  1.00  0.00           H  
HETATM   74  H   UNL     1      11.495  -0.480  -1.980  1.00  0.00           H  
HETATM   75  H   UNL     1      13.271  -0.578  -1.919  1.00  0.00           H  
HETATM   76  H   UNL     1       6.569  -1.135  -1.586  1.00  0.00           H  
HETATM   77  H   UNL     1       2.631  -1.537  -0.913  1.00  0.00           H  
HETATM   78  H   UNL     1       1.833  -0.484  -2.106  1.00  0.00           H  
HETATM   79  H   UNL     1       3.610  -0.570  -2.042  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.185   3.428   0.220  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.164   2.461   1.349  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.388   2.374   1.413  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.956   3.613   0.007  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.936   2.647   1.135  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.159   2.560   1.200  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.289   1.040   1.703  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.083  -0.472   2.205  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.310  -0.403   2.062  1.00  0.00           H  
HETATM   89  H   UNL     1      13.637   1.243   1.322  1.00  0.00           H  
HETATM   90  H   UNL     1      18.184  -3.166  -0.880  1.00  0.00           H  
HETATM   91  H   UNL     1      18.877  -2.442   0.591  1.00  0.00           H  
HETATM   92  H   UNL     1      17.350  -3.352   0.681  1.00  0.00           H  
HETATM   93  H   UNL     1     -17.162   0.351   2.164  1.00  0.00           H  
HETATM   94  H   UNL     1     -17.791  -1.234   2.677  1.00  0.00           H  
HETATM   95  H   UNL     1     -16.038  -0.992   2.483  1.00  0.00           H  
HETATM   96  H   UNL     1      11.201   1.344   1.198  1.00  0.00           H  
HETATM   97  H   UNL     1       9.964  -0.338  -1.113  1.00  0.00           H  
HETATM   98  H   UNL     1       8.813   1.542   1.024  1.00  0.00           H  
HETATM   99  H   UNL     1     -20.288  -1.757   0.422  1.00  0.00           H  
CONECT    1   24   12   25   42                                       
CONECT    2    3   41   41   46                                       
CONECT    3    4    4    2   47                                       
CONECT    4    5    3    3   48                                       
CONECT    5   28    6    6    4                                       
CONECT    6    7    5    5   49                                       
CONECT    7    8    8    6   50                                       
CONECT    8    9    7    7   51                                       
CONECT    9   10   10    8   52                                       
CONECT   10   11    9    9   29                                       
CONECT   11   13   13   10   53                                       
CONECT   12   23    1   54   55                                       
CONECT   13   14   11   11   56                                       
CONECT   14   15   15   13   57                                       
CONECT   15   16   30   14   14                                       
CONECT   16   17   15   58   59                                       
CONECT   17   18   16   60   61                                       
CONECT   18   19   19   17   62                                       
CONECT   19   20   31   18   18                                       
CONECT   20   21   21   19   63                                       
CONECT   21   22   20   20   64                                       
CONECT   22   32   32   21   65                                       
CONECT   23   33   33   12   66                                       
CONECT   24    1   67   68   69                                       
CONECT   25    1   70   71   72                                       
CONECT   26   37   73   74   75                                       
CONECT   27   43   43   41   76                                       
CONECT   28    5   77   78   79                                       
CONECT   29   10   80   81   82                                       
CONECT   30   15   83   84   85                                       
CONECT   31   19   86   87   88                                       
CONECT   32   34   36   22   22                                       
CONECT   33   37   23   23   89                                       
CONECT   34   45   45   44   32                                       
CONECT   35   42   90   91   92                                       
CONECT   36   32   93   94   95                                       
CONECT   37   38   38   26   33                                       
CONECT   38   39   37   37   96                                       
CONECT   39   40   40   38   97                                       
CONECT   40   41   39   39   98                                       
CONECT   41    2    2   27   40                                       
CONECT   42    1   35                                                 
CONECT   43   27   27                                                 
CONECT   44   34   99                                                 
CONECT   45   34   34                                                 
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   33                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   44                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
