COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      14.446  43.618  29.878  1.00  0.00           C  
HETATM    2  N   UNL     1      12.280  44.572  30.038  1.00  0.00           N  
HETATM    3  O   UNL     1      14.448  42.940  30.872  1.00  0.00           O  
HETATM    4  C   UNL     1      13.690  44.792  29.844  1.00  0.00           C  
HETATM    5  C   UNL     1      14.213  45.817  30.879  1.00  0.00           C  
HETATM    6  C   UNL     1      11.321  44.690  29.067  1.00  0.00           C  
HETATM    7  N   UNL     1      16.183  41.798  24.273  1.00  0.00           N  
HETATM    8  C   UNL     1      15.563  39.420  21.683  1.00  0.00           C  
HETATM    9  C   UNL     1      17.475  41.210  22.407  1.00  0.00           C  
HETATM   10  C   UNL     1       7.814  43.760  28.847  1.00  0.00           C  
HETATM   11  C   UNL     1       8.830  42.867  28.173  1.00  0.00           C  
HETATM   12  C   UNL     1       9.140  44.308  28.473  1.00  0.00           C  
HETATM   13  C   UNL     1      23.579  40.369  29.955  1.00  0.00           C  
HETATM   14  C   UNL     1      22.521  39.586  29.314  1.00  0.00           C  
HETATM   15  O   UNL     1      21.525  39.466  32.109  1.00  0.00           O  
HETATM   16  S   UNL     1      21.257  40.749  31.539  1.00  0.00           S  
HETATM   17  C   UNL     1      17.356  40.781  32.024  1.00  0.00           C  
HETATM   18  O   UNL     1      17.430  43.158  30.429  1.00  0.00           O  
HETATM   19  C   UNL     1      16.926  42.163  30.005  1.00  0.00           C  
HETATM   20  C   UNL     1      13.623  47.144  30.496  1.00  0.00           C  
HETATM   21  C   UNL     1      17.176  41.776  34.456  1.00  0.00           C  
HETATM   22  C   UNL     1      15.367  40.179  22.823  1.00  0.00           C  
HETATM   23  C   UNL     1       8.656  42.510  26.724  1.00  0.00           C  
HETATM   24  N   UNL     1      19.645  40.920  31.234  1.00  0.00           N  
HETATM   25  C   UNL     1      16.510  41.318  33.153  1.00  0.00           C  
HETATM   26  C   UNL     1      10.416  41.378  25.470  1.00  0.00           C  
HETATM   27  C   UNL     1      16.674  39.538  20.890  1.00  0.00           C  
HETATM   28  O   UNL     1      14.891  42.356  26.104  1.00  0.00           O  
HETATM   29  C   UNL     1      19.791  41.445  20.763  1.00  0.00           C  
HETATM   30  O   UNL     1      18.742  40.554  20.469  1.00  0.00           O  
HETATM   31  C   UNL     1       9.981  42.625  26.064  1.00  0.00           C  
HETATM   32  C   UNL     1      11.837  41.555  24.875  1.00  0.00           C  
HETATM   33  C   UNL     1      15.079  41.664  25.030  1.00  0.00           C  
HETATM   34  C   UNL     1      14.084  40.785  24.676  1.00  0.00           C  
HETATM   35  C   UNL     1      16.347  41.086  23.183  1.00  0.00           C  
HETATM   36  N   UNL     1      14.266  40.070  23.582  1.00  0.00           N  
HETATM   37  C   UNL     1      12.916  40.642  25.427  1.00  0.00           C  
HETATM   38  C   UNL     1      17.652  40.446  21.246  1.00  0.00           C  
HETATM   39  O   UNL     1      21.691  41.777  32.405  1.00  0.00           O  
HETATM   40  C   UNL     1      22.239  40.895  29.868  1.00  0.00           C  
HETATM   41  O   UNL     1      19.206  40.314  33.358  1.00  0.00           O  
HETATM   42  C   UNL     1      16.570  39.876  32.939  1.00  0.00           C  
HETATM   43  C   UNL     1      18.843  40.677  32.262  1.00  0.00           C  
HETATM   44  N   UNL     1      16.889  41.028  30.659  1.00  0.00           N  
HETATM   45  C   UNL     1      17.173  43.254  34.748  1.00  0.00           C  
HETATM   46  O   UNL     1      11.707  44.939  27.940  1.00  0.00           O  
HETATM   47  O   UNL     1      10.038  44.509  29.462  1.00  0.00           O  
HETATM   48  C   UNL     1      16.924  42.410  27.504  1.00  0.00           C  
HETATM   49  C   UNL     1      16.162  42.194  28.801  1.00  0.00           C  
HETATM   50  N   UNL     1      15.250  43.325  28.873  1.00  0.00           N  
HETATM   51  C   UNL     1      15.361  44.073  27.652  1.00  0.00           C  
HETATM   52  C   UNL     1      15.926  43.159  26.628  1.00  0.00           C  
HETATM   53  C   UNL     1      15.731  45.963  30.867  1.00  0.00           C  
HETATM   54  C   UNL     1      13.768  45.440  32.277  1.00  0.00           C  
HETATM   55  H   UNL     1      11.977  44.312  30.955  1.00  0.00           H  
HETATM   56  H   UNL     1      13.821  45.256  28.855  1.00  0.00           H  
HETATM   57  H   UNL     1      14.806  38.702  21.406  1.00  0.00           H  
HETATM   58  H   UNL     1      18.242  41.912  22.699  1.00  0.00           H  
HETATM   59  H   UNL     1       6.914  44.078  28.300  1.00  0.00           H  
HETATM   60  H   UNL     1       7.563  43.604  29.907  1.00  0.00           H  
HETATM   61  H   UNL     1       9.320  42.116  28.810  1.00  0.00           H  
HETATM   62  H   UNL     1       9.154  44.981  27.603  1.00  0.00           H  
HETATM   63  H   UNL     1      23.985  40.054  30.928  1.00  0.00           H  
HETATM   64  H   UNL     1      24.384  40.809  29.347  1.00  0.00           H  
HETATM   65  H   UNL     1      22.528  39.438  28.224  1.00  0.00           H  
HETATM   66  H   UNL     1      22.129  38.683  29.805  1.00  0.00           H  
HETATM   67  H   UNL     1      13.964  47.915  31.203  1.00  0.00           H  
HETATM   68  H   UNL     1      13.948  47.410  29.479  1.00  0.00           H  
HETATM   69  H   UNL     1      12.525  47.079  30.525  1.00  0.00           H  
HETATM   70  H   UNL     1      17.628  41.069  35.136  1.00  0.00           H  
HETATM   71  H   UNL     1       8.282  41.479  26.635  1.00  0.00           H  
HETATM   72  H   UNL     1       7.942  43.201  26.252  1.00  0.00           H  
HETATM   73  H   UNL     1      19.296  41.188  30.336  1.00  0.00           H  
HETATM   74  H   UNL     1      15.583  41.839  32.871  1.00  0.00           H  
HETATM   75  H   UNL     1       9.717  41.090  24.671  1.00  0.00           H  
HETATM   76  H   UNL     1      10.436  40.593  26.240  1.00  0.00           H  
HETATM   77  H   UNL     1      16.783  38.932  20.003  1.00  0.00           H  
HETATM   78  H   UNL     1      20.571  41.360  19.992  1.00  0.00           H  
HETATM   79  H   UNL     1      19.403  42.474  20.781  1.00  0.00           H  
HETATM   80  H   UNL     1      20.218  41.197  21.746  1.00  0.00           H  
HETATM   81  H   UNL     1       9.917  43.388  25.274  1.00  0.00           H  
HETATM   82  H   UNL     1      10.723  42.936  26.814  1.00  0.00           H  
HETATM   83  H   UNL     1      11.771  41.378  23.791  1.00  0.00           H  
HETATM   84  H   UNL     1      12.150  42.593  25.059  1.00  0.00           H  
HETATM   85  H   UNL     1      13.120  40.909  26.474  1.00  0.00           H  
HETATM   86  H   UNL     1      12.573  39.598  25.375  1.00  0.00           H  
HETATM   87  H   UNL     1      21.964  41.767  29.256  1.00  0.00           H  
HETATM   88  H   UNL     1      15.688  39.343  32.555  1.00  0.00           H  
HETATM   89  H   UNL     1      17.098  39.237  33.662  1.00  0.00           H  
HETATM   90  H   UNL     1      16.500  40.246  30.173  1.00  0.00           H  
HETATM   91  H   UNL     1      17.630  43.627  35.653  1.00  0.00           H  
HETATM   92  H   UNL     1      16.714  43.941  34.052  1.00  0.00           H  
HETATM   93  H   UNL     1      17.205  41.449  27.048  1.00  0.00           H  
HETATM   94  H   UNL     1      17.828  43.013  27.674  1.00  0.00           H  
HETATM   95  H   UNL     1      15.580  41.265  28.710  1.00  0.00           H  
HETATM   96  H   UNL     1      14.369  44.427  27.335  1.00  0.00           H  
HETATM   97  H   UNL     1      16.029  44.935  27.797  1.00  0.00           H  
HETATM   98  H   UNL     1      16.451  43.723  25.843  1.00  0.00           H  
HETATM   99  H   UNL     1      16.035  46.703  31.622  1.00  0.00           H  
HETATM  100  H   UNL     1      16.194  44.992  31.098  1.00  0.00           H  
HETATM  101  H   UNL     1      16.059  46.299  29.872  1.00  0.00           H  
HETATM  102  H   UNL     1      14.150  46.180  32.996  1.00  0.00           H  
HETATM  103  H   UNL     1      12.669  45.421  32.319  1.00  0.00           H  
HETATM  104  H   UNL     1      14.162  44.445  32.531  1.00  0.00           H  
CONECT    1   50    4    3    3                                       
CONECT    2    6    4   55                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   56                                       
CONECT    5    4   20   53   54                                       
CONECT    6    2   46   46   47                                       
CONECT    7   35   35   33                                            
CONECT    8   27   27   22   57                                       
CONECT    9   38   38   35   58                                       
CONECT   10   11   12   59   60                                       
CONECT   11   10   23   12   61                                       
CONECT   12   10   11   47   62                                       
CONECT   13   14   40   63   64                                       
CONECT   14   13   40   65   66                                       
CONECT   15   16   16                                                 
CONECT   16   15   15   40   24                                       
CONECT   16   39   39                                                 
CONECT   17   44   43   42   25                                       
CONECT   18   19   19                                                 
CONECT   19   18   18   49   44                                       
CONECT   20    5   67   68   69                                       
CONECT   21   25   45   45   70                                       
CONECT   22    8   35   36   36                                       
CONECT   23   11   31   71   72                                       
CONECT   24   16   43   73                                            
CONECT   25   17   21   42   74                                       
CONECT   26   32   31   75   76                                       
CONECT   27    8    8   38   77                                       
CONECT   28   33   52                                                 
CONECT   29   30   78   79   80                                       
CONECT   30   29   38                                                 
CONECT   31   23   26   81   82                                       
CONECT   32   26   37   83   84                                       
CONECT   33    7   28   34   34                                       
CONECT   34   33   33   36   37                                       
CONECT   35    7    7    9   22                                       
CONECT   36   22   22   34                                            
CONECT   37   32   34   85   86                                       
CONECT   38    9    9   27   30                                       
CONECT   39   16   16                                                 
CONECT   40   13   14   16   87                                       
CONECT   41   43   43                                                 
CONECT   42   17   25   88   89                                       
CONECT   43   17   24   41   41                                       
CONECT   44   17   19   90                                            
CONECT   45   21   21   91   92                                       
CONECT   46    6    6                                                 
CONECT   47    6   12                                                 
CONECT   48   52   49   93   94                                       
CONECT   49   19   48   50   95                                       
CONECT   50    1   49   51                                            
CONECT   51   50   52   96   97                                       
CONECT   52   28   48   51   98                                       
CONECT   53    5   99  100  101                                       
CONECT   54    5  102  103  104                                       
CONECT   55    2                                                      
CONECT   56    4                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   40                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   51                                                      
CONECT   97   51                                                      
CONECT   98   52                                                      
CONECT   99   53                                                      
CONECT  100   53                                                      
CONECT  101   53                                                      
CONECT  102   54                                                      
CONECT  103   54                                                      
CONECT  104   54                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
