COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.471   1.050  -0.569  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.985   1.743  -1.662  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.048   2.743  -1.486  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.023   1.363   0.701  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.086   2.364   0.877  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.596   3.051  -0.217  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.574   4.143  -0.025  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.149   4.363   0.055  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.791   3.784  -0.011  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.673   4.608   0.140  1.00  0.00           C  
HETATM   11  C   UNL     1       0.592   4.067   0.079  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.626   2.413  -0.219  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.360   1.875  -0.279  1.00  0.00           C  
HETATM   14  C   UNL     1       0.757   2.698  -0.134  1.00  0.00           C  
HETATM   15  C   UNL     1       2.119   2.118  -0.201  1.00  0.00           C  
HETATM   16  C   UNL     1       2.284   0.749  -0.414  1.00  0.00           C  
HETATM   17  C   UNL     1       3.549   0.209  -0.476  1.00  0.00           C  
HETATM   18  C   UNL     1       4.667   1.032  -0.326  1.00  0.00           C  
HETATM   19  C   UNL     1       6.028   0.451  -0.393  1.00  0.00           C  
HETATM   20  C   UNL     1       8.362   0.778  -0.940  1.00  0.00           C  
HETATM   21  C   UNL     1       8.848   0.488   0.481  1.00  0.00           C  
HETATM   22  C   UNL     1       8.840   1.763   1.285  1.00  0.00           C  
HETATM   23  C   UNL     1       9.197   3.014   3.282  1.00  0.00           C  
HETATM   24  C   UNL     1       8.486  -0.468  -1.778  1.00  0.00           C  
HETATM   25  C   UNL     1       8.220  -2.496  -2.516  1.00  0.00           C  
HETATM   26  C   UNL     1       7.773  -3.925  -2.681  1.00  0.00           C  
HETATM   27  C   UNL     1       7.021  -1.876  -0.438  1.00  0.00           C  
HETATM   28  C   UNL     1       6.197  -0.922   0.123  1.00  0.00           C  
HETATM   29  C   UNL     1       5.496  -1.433   1.288  1.00  0.00           C  
HETATM   30  C   UNL     1       4.553  -0.595   2.112  1.00  0.00           C  
HETATM   31  C   UNL     1       5.759  -2.700   1.558  1.00  0.00           C  
HETATM   32  C   UNL     1       5.160  -3.474   2.705  1.00  0.00           C  
HETATM   33  C   UNL     1       4.502   2.401  -0.113  1.00  0.00           C  
HETATM   34  C   UNL     1       3.236   2.941  -0.056  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.988  -2.117  -0.005  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.321  -1.938   1.326  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.491  -2.410   2.331  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.321  -3.066   2.016  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.423  -3.578   3.113  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.970  -3.257   0.680  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.805  -2.781  -0.341  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.047  -3.765  -1.336  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.827  -3.896   0.004  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.706  -4.529   0.630  1.00  0.00           C  
HETATM   45  N   UNL     1      -4.228   3.569  -0.091  1.00  0.00           N  
HETATM   46  N   UNL     1       6.959   1.194  -0.902  1.00  0.00           N  
HETATM   47  N   UNL     1       9.189  -0.634  -2.862  1.00  0.00           N  
HETATM   48  N   UNL     1       9.031  -1.835  -3.302  1.00  0.00           N  
HETATM   49  N   UNL     1       7.859  -1.645  -1.524  1.00  0.00           N  
HETATM   50  N   UNL     1      -8.835  -1.642  -1.011  1.00  0.00           N  
HETATM   51  N   UNL     1      -6.214  -3.107  -1.546  1.00  0.00           N  
HETATM   52  N   UNL     1      -2.816  -5.031   1.127  1.00  0.00           N  
HETATM   53  O   UNL     1     -10.355  -0.351   0.443  1.00  0.00           O  
HETATM   54  O   UNL     1       9.230   1.749   2.569  1.00  0.00           O  
HETATM   55  O   UNL     1       8.482   2.797   0.773  1.00  0.00           O  
HETATM   56  O   UNL     1      -3.293   5.556   0.241  1.00  0.00           O  
HETATM   57  O   UNL     1     -10.320   0.050  -2.023  1.00  0.00           O  
HETATM   58  S   UNL     1      -9.665  -0.226  -0.793  1.00  0.00           S  
HETATM   59  S   UNL     1       6.899  -3.356   0.400  1.00  0.00           S  
HETATM   60  H   UNL     1      -8.338   1.502  -2.654  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.668   3.284  -2.341  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.406   0.825   1.556  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.737   2.608   1.870  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.689   4.890  -0.811  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.722   4.612   0.947  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.800   5.667   0.305  1.00  0.00           H  
HETATM   67  H   UNL     1       1.457   4.703   0.196  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.490   1.775  -0.331  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.232   0.814  -0.440  1.00  0.00           H  
HETATM   70  H   UNL     1       1.419   0.112  -0.530  1.00  0.00           H  
HETATM   71  H   UNL     1       3.677  -0.851  -0.640  1.00  0.00           H  
HETATM   72  H   UNL     1       8.966   1.573  -1.377  1.00  0.00           H  
HETATM   73  H   UNL     1       8.187  -0.241   0.950  1.00  0.00           H  
HETATM   74  H   UNL     1       9.861   0.088   0.444  1.00  0.00           H  
HETATM   75  H   UNL     1       9.852   3.728   2.784  1.00  0.00           H  
HETATM   76  H   UNL     1       8.177   3.399   3.289  1.00  0.00           H  
HETATM   77  H   UNL     1       9.535   2.862   4.307  1.00  0.00           H  
HETATM   78  H   UNL     1       8.466  -4.585  -2.159  1.00  0.00           H  
HETATM   79  H   UNL     1       6.773  -4.044  -2.263  1.00  0.00           H  
HETATM   80  H   UNL     1       7.757  -4.181  -3.740  1.00  0.00           H  
HETATM   81  H   UNL     1       3.531  -0.753   1.768  1.00  0.00           H  
HETATM   82  H   UNL     1       4.633  -0.884   3.160  1.00  0.00           H  
HETATM   83  H   UNL     1       4.815   0.458   2.005  1.00  0.00           H  
HETATM   84  H   UNL     1       4.236  -3.951   2.378  1.00  0.00           H  
HETATM   85  H   UNL     1       5.865  -4.236   3.036  1.00  0.00           H  
HETATM   86  H   UNL     1       4.946  -2.794   3.529  1.00  0.00           H  
HETATM   87  H   UNL     1       5.366   3.038   0.004  1.00  0.00           H  
HETATM   88  H   UNL     1       3.108   4.001   0.105  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.236  -1.424   1.584  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.762  -2.263   3.365  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.710  -4.597   3.373  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.389  -3.568   2.770  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.521  -2.938   3.990  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.390  -4.130  -2.112  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.113   2.617  -0.239  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.936  -2.141  -1.836  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.581  -2.895  -2.418  1.00  0.00           H  
CONECT    1    4   58    2    2                                       
CONECT    2    1    1    3   60                                       
CONECT    3    6    6    2   61                                       
CONECT    4    5    5    1   62                                       
CONECT    5    4    4    6   63                                       
CONECT    6    5    7    3    3                                       
CONECT    7    6   45   64   65                                       
CONECT    8   45   56   56    9                                       
CONECT    9    8   10   10   12                                       
CONECT   10    9    9   11   66                                       
CONECT   11   10   14   14   67                                       
CONECT   12    9   13   13   68                                       
CONECT   13   12   12   14   69                                       
CONECT   14   11   11   13   15                                       
CONECT   15   14   16   16   34                                       
CONECT   16   15   15   17   70                                       
CONECT   17   16   18   18   71                                       
CONECT   18   17   17   33   19                                       
CONECT   19   18   46   46   28                                       
CONECT   20   46   21   24   72                                       
CONECT   21   22   20   73   74                                       
CONECT   22   55   55   54   21                                       
CONECT   23   54   75   76   77                                       
CONECT   24   20   49   47   47                                       
CONECT   25   49   26   48   48                                       
CONECT   26   25   78   79   80                                       
CONECT   27   28   28   59   49                                       
CONECT   28   19   29   27   27                                       
CONECT   29   30   28   31   31                                       
CONECT   30   29   81   82   83                                       
CONECT   31   29   29   32   59                                       
CONECT   32   31   84   85   86                                       
CONECT   33   34   34   18   87                                       
CONECT   34   15   33   33   88                                       
CONECT   35   36   36   50   41                                       
CONECT   36   37   35   35   89                                       
CONECT   37   36   38   38   90                                       
CONECT   38   37   37   39   40                                       
CONECT   39   38   91   92   93                                       
CONECT   40   38   41   41   43                                       
CONECT   41   35   40   40   51                                       
CONECT   42   51   43   43   94                                       
CONECT   43   40   44   42   42                                       
CONECT   44   43   52   52   52                                       
CONECT   45    7    8   95                                            
CONECT   46   19   19   20                                            
CONECT   47   24   24   48                                            
CONECT   48   25   25   47                                            
CONECT   49   27   24   25                                            
CONECT   50   58   35   96                                            
CONECT   51   41   42   97                                            
CONECT   52   44   44   44                                            
CONECT   53   58   58                                                 
CONECT   54   23   22                                                 
CONECT   55   22   22                                                 
CONECT   56    8    8                                                 
CONECT   57   58   58                                                 
CONECT   58   57   57    1   53                                       
CONECT   58   53   50                                                 
CONECT   59   31   27                                                 
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   42                                                      
CONECT   95   45                                                      
CONECT   96   50                                                      
CONECT   97   51                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
