COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.435   0.587   0.013  1.00  0.00           C  
HETATM    2  C   UNL     1      13.309  -0.171   0.015  1.00  0.00           C  
HETATM    3  C   UNL     1       1.241  -0.107  -0.020  1.00  0.00           C  
HETATM    4  C   UNL     1       0.030   0.586  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.165  -0.109  -0.033  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.376   0.584  -0.014  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.571  -0.111  -0.046  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.781   0.582  -0.028  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.977  -0.113  -0.060  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.187   0.579  -0.041  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.382  -0.116  -0.073  1.00  0.00           C  
HETATM   12  C   UNL     1      12.033   0.558   0.041  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.592   0.576  -0.054  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.788  -0.119  -0.087  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.998   0.573  -0.068  1.00  0.00           C  
HETATM   16  C   UNL     1     -13.300  -0.184  -0.103  1.00  0.00           C  
HETATM   17  C   UNL     1     -14.466   0.805  -0.073  1.00  0.00           C  
HETATM   18  C   UNL     1       9.635   2.082   0.096  1.00  0.00           C  
HETATM   19  C   UNL     1       4.835   2.093   0.081  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.160  -1.615  -0.088  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.971  -1.619  -0.115  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.783  -1.625  -0.142  1.00  0.00           C  
HETATM   23  C   UNL     1      10.861  -0.123   0.010  1.00  0.00           C  
HETATM   24  C   UNL     1     -15.789   0.036  -0.109  1.00  0.00           C  
HETATM   25  C   UNL     1     -16.952   1.026  -0.205  1.00  0.00           C  
HETATM   26  C   UNL     1     -15.807  -0.891  -1.325  1.00  0.00           C  
HETATM   27  C   UNL     1      13.318  -1.570  -0.041  1.00  0.00           C  
HETATM   28  C   UNL     1      14.519  -2.247  -0.065  1.00  0.00           C  
HETATM   29  C   UNL     1      15.713  -1.547  -0.033  1.00  0.00           C  
HETATM   30  C   UNL     1      15.712  -0.164   0.023  1.00  0.00           C  
HETATM   31  C   UNL     1      14.520   0.529   0.042  1.00  0.00           C  
HETATM   32  C   UNL     1      17.018   0.587   0.059  1.00  0.00           C  
HETATM   33  C   UNL     1       9.640   0.576   0.034  1.00  0.00           C  
HETATM   34  C   UNL     1      17.021  -2.296  -0.053  1.00  0.00           C  
HETATM   35  C   UNL     1      14.522   2.034   0.103  1.00  0.00           C  
HETATM   36  C   UNL     1     -17.128  -1.500   1.152  1.00  0.00           C  
HETATM   37  C   UNL     1       8.461  -0.110   0.003  1.00  0.00           C  
HETATM   38  C   UNL     1       7.245   0.586   0.027  1.00  0.00           C  
HETATM   39  C   UNL     1       6.054  -0.107  -0.004  1.00  0.00           C  
HETATM   40  C   UNL     1       4.840   0.587   0.020  1.00  0.00           C  
HETATM   41  C   UNL     1       3.647  -0.106  -0.012  1.00  0.00           C  
HETATM   42  O   UNL     1     -12.002   1.789  -0.023  1.00  0.00           O  
HETATM   43  O   UNL     1     -15.921  -0.739   1.084  1.00  0.00           O  
HETATM   44  H   UNL     1       2.431   1.666   0.052  1.00  0.00           H  
HETATM   45  H   UNL     1       1.245  -1.186  -0.059  1.00  0.00           H  
HETATM   46  H   UNL     1       0.026   1.666   0.039  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.379   1.664   0.025  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.567  -1.190  -0.086  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.785   1.661   0.012  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.190   1.658  -0.002  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.378  -1.195  -0.113  1.00  0.00           H  
HETATM   52  H   UNL     1      12.029   1.638   0.085  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.596   1.656  -0.015  1.00  0.00           H  
HETATM   54  H   UNL     1     -13.351  -0.778  -1.015  1.00  0.00           H  
HETATM   55  H   UNL     1     -13.360  -0.843   0.763  1.00  0.00           H  
HETATM   56  H   UNL     1     -14.416   1.399   0.839  1.00  0.00           H  
HETATM   57  H   UNL     1     -14.406   1.464  -0.939  1.00  0.00           H  
HETATM   58  H   UNL     1       9.637   2.486  -0.916  1.00  0.00           H  
HETATM   59  H   UNL     1       8.742   2.421   0.621  1.00  0.00           H  
HETATM   60  H   UNL     1      10.522   2.427   0.627  1.00  0.00           H  
HETATM   61  H   UNL     1       4.837   2.498  -0.931  1.00  0.00           H  
HETATM   62  H   UNL     1       3.942   2.432   0.607  1.00  0.00           H  
HETATM   63  H   UNL     1       5.722   2.438   0.612  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.164  -2.015   0.926  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.045  -1.962  -0.620  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.265  -1.956  -0.610  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.976  -2.020   0.899  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.857  -1.967  -0.647  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.077  -1.961  -0.637  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.787  -2.026   0.872  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.668  -1.972  -0.674  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.888  -1.967  -0.663  1.00  0.00           H  
HETATM   73  H   UNL     1      10.865  -1.202  -0.034  1.00  0.00           H  
HETATM   74  H   UNL     1     -16.851   1.618  -1.115  1.00  0.00           H  
HETATM   75  H   UNL     1     -17.894   0.478  -0.230  1.00  0.00           H  
HETATM   76  H   UNL     1     -16.939   1.687   0.662  1.00  0.00           H  
HETATM   77  H   UNL     1     -14.978  -1.596  -1.257  1.00  0.00           H  
HETATM   78  H   UNL     1     -16.749  -1.439  -1.350  1.00  0.00           H  
HETATM   79  H   UNL     1     -15.706  -0.299  -2.235  1.00  0.00           H  
HETATM   80  H   UNL     1      12.387  -2.117  -0.066  1.00  0.00           H  
HETATM   81  H   UNL     1      14.528  -3.326  -0.109  1.00  0.00           H  
HETATM   82  H   UNL     1      17.337   0.810  -0.960  1.00  0.00           H  
HETATM   83  H   UNL     1      16.887   1.518   0.610  1.00  0.00           H  
HETATM   84  H   UNL     1      17.775  -0.023   0.551  1.00  0.00           H  
HETATM   85  H   UNL     1      17.327  -2.518   0.969  1.00  0.00           H  
HETATM   86  H   UNL     1      16.898  -3.227  -0.606  1.00  0.00           H  
HETATM   87  H   UNL     1      17.782  -1.684  -0.536  1.00  0.00           H  
HETATM   88  H   UNL     1      14.531   2.439  -0.909  1.00  0.00           H  
HETATM   89  H   UNL     1      13.629   2.378   0.624  1.00  0.00           H  
HETATM   90  H   UNL     1      15.409   2.375   0.638  1.00  0.00           H  
HETATM   91  H   UNL     1     -17.153  -2.061   2.086  1.00  0.00           H  
HETATM   92  H   UNL     1     -17.985  -0.827   1.110  1.00  0.00           H  
HETATM   93  H   UNL     1     -17.169  -2.193   0.311  1.00  0.00           H  
HETATM   94  H   UNL     1       8.465  -1.189  -0.041  1.00  0.00           H  
HETATM   95  H   UNL     1       7.241   1.665   0.071  1.00  0.00           H  
HETATM   96  H   UNL     1       6.057  -1.186  -0.049  1.00  0.00           H  
HETATM   97  H   UNL     1       3.651  -1.186  -0.056  1.00  0.00           H  
CONECT    1   41    3    3   44                                       
CONECT    2   31   31   27   12                                       
CONECT    3    1    1    4   45                                       
CONECT    4    3    5    5   46                                       
CONECT    5   20    4    4    6                                       
CONECT    6    5    7    7   47                                       
CONECT    7    6    6    8   48                                       
CONECT    8    7    9    9   49                                       
CONECT    9    8    8   21   10                                       
CONECT   10    9   11   11   50                                       
CONECT   11   10   10   13   51                                       
CONECT   12    2   23   23   52                                       
CONECT   13   11   14   14   53                                       
CONECT   14   13   13   22   15                                       
CONECT   15   14   42   42   16                                       
CONECT   16   15   17   54   55                                       
CONECT   17   16   24   56   57                                       
CONECT   18   33   58   59   60                                       
CONECT   19   40   61   62   63                                       
CONECT   20    5   64   65   66                                       
CONECT   21    9   67   68   69                                       
CONECT   22   14   70   71   72                                       
CONECT   23   12   12   33   73                                       
CONECT   24   43   26   17   25                                       
CONECT   25   24   74   75   76                                       
CONECT   26   24   77   78   79                                       
CONECT   27   28   28    2   80                                       
CONECT   28   29   27   27   81                                       
CONECT   29   34   30   30   28                                       
CONECT   30   32   29   29   31                                       
CONECT   31   30   35    2    2                                       
CONECT   32   30   82   83   84                                       
CONECT   33   23   37   37   18                                       
CONECT   34   29   85   86   87                                       
CONECT   35   31   88   89   90                                       
CONECT   36   43   91   92   93                                       
CONECT   37   33   33   38   94                                       
CONECT   38   37   39   39   95                                       
CONECT   39   38   38   40   96                                       
CONECT   40   39   41   41   19                                       
CONECT   41   40   40    1   97                                       
CONECT   42   15   15                                                 
CONECT   43   36   24                                                 
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   41                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
