COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.294   2.890  -1.497  1.00  0.00           C  
HETATM    2  C   UNL     1       1.463   0.705  -0.623  1.00  0.00           C  
HETATM    3  C   UNL     1       1.295   2.645   0.777  1.00  0.00           C  
HETATM    4  C   UNL     1       0.404   3.306   1.830  1.00  0.00           C  
HETATM    5  C   UNL     1       0.686  -1.438   0.120  1.00  0.00           C  
HETATM    6  C   UNL     1       1.908  -2.359   0.120  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.584  -2.274  -0.046  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.806  -1.353  -0.046  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.076  -2.190  -0.212  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.177  -0.886   0.167  1.00  0.00           C  
HETATM   11  O   UNL     1     -13.151   2.558   1.596  1.00  0.00           O  
HETATM   12  C   UNL     1     -11.035   1.559   0.990  1.00  0.00           C  
HETATM   13  C   UNL     1       7.054  -1.316   0.656  1.00  0.00           C  
HETATM   14  C   UNL     1       7.800   0.005   0.861  1.00  0.00           C  
HETATM   15  C   UNL     1       9.300  -0.271   0.984  1.00  0.00           C  
HETATM   16  C   UNL     1      10.045   1.050   1.189  1.00  0.00           C  
HETATM   17  C   UNL     1       1.905  -0.031  -3.699  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.983  -2.442  -1.710  1.00  0.00           O  
HETATM   19  O   UNL     1       4.630  -3.256   1.714  1.00  0.00           O  
HETATM   20  C   UNL     1       1.451   3.583  -0.423  1.00  0.00           C  
HETATM   21  C   UNL     1       1.626   1.565  -1.879  1.00  0.00           C  
HETATM   22  O   UNL     1       0.696   1.420   0.347  1.00  0.00           O  
HETATM   23  O   UNL     1       0.790  -0.510  -0.962  1.00  0.00           O  
HETATM   24  N   UNL     1       2.461   0.858  -2.852  1.00  0.00           N  
HETATM   25  O   UNL     1       2.383   3.730  -2.650  1.00  0.00           O  
HETATM   26  O   UNL     1       2.102   4.785  -0.007  1.00  0.00           O  
HETATM   27  O   UNL     1       0.352   2.481   2.996  1.00  0.00           O  
HETATM   28  O   UNL     1       3.083  -1.592   0.391  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.222  -1.344  -0.096  1.00  0.00           O  
HETATM   30  P   UNL     1      -5.731  -1.891  -0.218  1.00  0.00           P  
HETATM   31  O   UNL     1      -6.762  -0.695   0.093  1.00  0.00           O  
HETATM   32  C   UNL     1      -8.856   0.450   0.477  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.356   0.224   0.679  1.00  0.00           C  
HETATM   34  P   UNL     1       4.554  -2.241   0.466  1.00  0.00           P  
HETATM   35  O   UNL     1       5.646  -1.073   0.658  1.00  0.00           O  
HETATM   36  C   UNL     1       2.764  -0.758  -4.700  1.00  0.00           C  
HETATM   37  O   UNL     1       0.712  -0.245  -3.655  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.688  -3.203   1.035  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.702  -0.425  -1.128  1.00  0.00           O  
HETATM   40  C   UNL     1     -12.535   1.333   1.192  1.00  0.00           C  
HETATM   41  O   UNL     1       7.563   0.864  -0.256  1.00  0.00           O  
HETATM   42  O   UNL     1       9.536  -1.130   2.101  1.00  0.00           O  
HETATM   43  O   UNL     1     -10.559  -0.679   1.768  1.00  0.00           O  
HETATM   44  O   UNL     1     -10.832   2.462  -0.099  1.00  0.00           O  
HETATM   45  O   UNL     1      -8.653   1.352  -0.612  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.939  -2.987   0.754  1.00  0.00           O  
HETATM   47  O   UNL     1       4.834  -2.977  -0.787  1.00  0.00           O  
HETATM   48  H   UNL     1       3.293   2.696  -1.110  1.00  0.00           H  
HETATM   49  H   UNL     1       2.445   0.473  -0.212  1.00  0.00           H  
HETATM   50  H   UNL     1       2.275   2.438   1.207  1.00  0.00           H  
HETATM   51  H   UNL     1       0.815   4.281   2.093  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.602   3.432   1.428  1.00  0.00           H  
HETATM   53  H   UNL     1       0.642  -0.893   1.063  1.00  0.00           H  
HETATM   54  H   UNL     1       1.787  -3.123   0.888  1.00  0.00           H  
HETATM   55  H   UNL     1       2.002  -2.837  -0.855  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.540  -2.819  -0.989  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.850  -0.808   0.897  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.072  -2.664  -1.193  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.109  -2.956   0.562  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.542  -1.266  -0.787  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.406  -1.602   0.955  1.00  0.00           H  
HETATM   62  H   UNL     1     -14.104   2.489   1.743  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.606   1.983   1.898  1.00  0.00           H  
HETATM   64  H   UNL     1       7.346  -1.753  -0.299  1.00  0.00           H  
HETATM   65  H   UNL     1       7.305  -2.004   1.463  1.00  0.00           H  
HETATM   66  H   UNL     1       7.443   0.486   1.771  1.00  0.00           H  
HETATM   67  H   UNL     1       9.657  -0.752   0.073  1.00  0.00           H  
HETATM   68  H   UNL     1       9.688   1.531   2.099  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.864  -1.776  -2.401  1.00  0.00           H  
HETATM   70  H   UNL     1       4.457  -2.841   2.570  1.00  0.00           H  
HETATM   71  H   UNL     1       0.468   3.822  -0.828  1.00  0.00           H  
HETATM   72  H   UNL     1       0.646   1.763  -2.314  1.00  0.00           H  
HETATM   73  H   UNL     1       3.415   1.030  -2.888  1.00  0.00           H  
HETATM   74  H   UNL     1       2.797   4.587  -2.481  1.00  0.00           H  
HETATM   75  H   UNL     1       1.625   5.274   0.678  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.197   2.840   3.707  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.427   0.873   1.385  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.785  -0.200  -0.229  1.00  0.00           H  
HETATM   79  H   UNL     1       2.143  -1.430  -5.293  1.00  0.00           H  
HETATM   80  H   UNL     1       3.247  -0.035  -5.358  1.00  0.00           H  
HETATM   81  H   UNL     1       3.524  -1.336  -4.175  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.732  -2.787   1.907  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.658  -0.840  -2.000  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.688   0.578   1.963  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.980   0.994   0.257  1.00  0.00           H  
HETATM   86  H   UNL     1       7.856   0.499  -1.102  1.00  0.00           H  
HETATM   87  H   UNL     1       9.243  -0.765   2.947  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.202  -0.366   2.611  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.189   2.149  -0.941  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.010   1.039  -1.454  1.00  0.00           H  
HETATM   91  C   UNL     1      11.545   0.775   1.311  1.00  0.00           C  
HETATM   92  O   UNL     1       9.809   1.909   0.072  1.00  0.00           O  
HETATM   93  O   UNL     1      12.229   1.991   1.618  1.00  0.00           O  
HETATM   94  H   UNL     1      11.718   0.050   2.107  1.00  0.00           H  
HETATM   95  H   UNL     1      11.920   0.375   0.369  1.00  0.00           H  
HETATM   96  H   UNL     1      10.102   1.544  -0.775  1.00  0.00           H  
HETATM   97  H   UNL     1      13.187   1.891   1.711  1.00  0.00           H  
CONECT    1   20   21   25   48                                       
CONECT    2   22   23   21   49                                       
CONECT    3    4   22   20   50                                       
CONECT    4   27    3   51   52                                       
CONECT    5    6    7   23   53                                       
CONECT    6    5   28   54   55                                       
CONECT    7   38    5    8   56                                       
CONECT    8    9    7   39   57                                       
CONECT    9   29    8   58   59                                       
CONECT   10   32   31   60   61                                       
CONECT   11   40   62                                                 
CONECT   12   33   44   40   63                                       
CONECT   13   14   35   64   65                                       
CONECT   14   41   15   13   66                                       
CONECT   15   16   14   42   67                                       
CONECT   16   15   68   91   92                                       
CONECT   17   24   36   37   37                                       
CONECT   18   30   69                                                 
CONECT   19   34   70                                                 
CONECT   20    3   26    1   71                                       
CONECT   21    2    1   24   72                                       
CONECT   22    3    2                                                 
CONECT   23    5    2                                                 
CONECT   24   21   17   73                                            
CONECT   25    1   74                                                 
CONECT   26   20   75                                                 
CONECT   27    4   76                                                 
CONECT   28    6   34                                                 
CONECT   29    9   30                                                 
CONECT   30   31   46   46   29                                       
CONECT   30   18                                                      
CONECT   31   10   30                                                 
CONECT   32   45   33   10   77                                       
CONECT   33   32   43   12   78                                       
CONECT   34   35   47   47   28                                       
CONECT   34   19                                                      
CONECT   35   13   34                                                 
CONECT   36   17   79   80   81                                       
CONECT   37   17   17                                                 
CONECT   38    7   82                                                 
CONECT   39    8   83                                                 
CONECT   40   12   11   84   85                                       
CONECT   41   14   86                                                 
CONECT   42   15   87                                                 
CONECT   43   33   88                                                 
CONECT   44   12   89                                                 
CONECT   45   32   90                                                 
CONECT   46   30   30                                                 
CONECT   47   34   34                                                 
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   16   93   94   95                                       
CONECT   92   16   96                                                 
CONECT   93   91   97                                                 
CONECT   94   91                                                      
CONECT   95   91                                                      
CONECT   96   92                                                      
CONECT   97   93                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
