COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.975  -0.221   1.678  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.008   1.340  -0.588  1.00  0.00           N  
HETATM    3  S   UNL     1      -3.420   1.234  -0.133  1.00  0.00           S  
HETATM    4  C   UNL     1      -3.405  -0.029   1.169  1.00  0.00           C  
HETATM    5  N   UNL     1     -13.775  -1.349  -1.771  1.00  0.00           N  
HETATM    6  O   UNL     1      -8.652   4.134   0.163  1.00  0.00           O  
HETATM    7  C   UNL     1     -13.528  -0.055  -1.858  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.527  -2.537   2.252  1.00  0.00           N  
HETATM    9  O   UNL     1     -10.759   2.641   0.481  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.011   1.826   0.363  1.00  0.00           C  
HETATM   11  N   UNL     1     -12.344   0.458  -1.599  1.00  0.00           N  
HETATM   12  O   UNL     1      15.370   2.573  -0.800  1.00  0.00           O  
HETATM   13  C   UNL     1     -11.333  -0.323  -1.233  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.544  -1.708  -1.125  1.00  0.00           C  
HETATM   15  C   UNL     1     -12.826  -2.208  -1.412  1.00  0.00           C  
HETATM   16  N   UNL     1     -13.094  -3.562  -1.322  1.00  0.00           N  
HETATM   17  N   UNL     1     -10.369  -2.262  -0.742  1.00  0.00           N  
HETATM   18  C   UNL     1      -9.472  -1.329  -0.611  1.00  0.00           C  
HETATM   19  N   UNL     1     -10.017  -0.114  -0.903  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.963  -1.286   2.776  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.803  -0.805   3.961  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.326   1.177  -0.871  1.00  0.00           C  
HETATM   23  S   UNL     1      -0.913  -0.754   0.308  1.00  0.00           S  
HETATM   24  C   UNL     1      -9.549   1.882   0.492  1.00  0.00           C  
HETATM   25  P   UNL     1      14.881   1.172  -0.176  1.00  0.00           P  
HETATM   26  C   UNL     1       0.753  -0.643   1.017  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.753   0.759  -1.295  1.00  0.00           O  
HETATM   28  C   UNL     1      -8.314   2.811   0.582  1.00  0.00           C  
HETATM   29  C   UNL     1       1.790  -0.942  -0.068  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.124   2.513   0.410  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.296   2.181  -0.389  1.00  0.00           C  
HETATM   32  O   UNL     1      -7.896   0.989  -0.923  1.00  0.00           O  
HETATM   33  O   UNL     1      14.913   1.253   1.302  1.00  0.00           O  
HETATM   34  N   UNL     1       3.136  -0.853   0.504  1.00  0.00           N  
HETATM   35  C   UNL     1       4.214  -1.079  -0.271  1.00  0.00           C  
HETATM   36  O   UNL     1       4.071  -1.356  -1.444  1.00  0.00           O  
HETATM   37  O   UNL     1      13.378   0.862  -0.664  1.00  0.00           O  
HETATM   38  C   UNL     1       5.598  -0.987   0.317  1.00  0.00           C  
HETATM   39  C   UNL     1       6.635  -1.286  -0.767  1.00  0.00           C  
HETATM   40  N   UNL     1       7.981  -1.197  -0.195  1.00  0.00           N  
HETATM   41  C   UNL     1       9.059  -1.423  -0.971  1.00  0.00           C  
HETATM   42  O   UNL     1       8.923  -1.602  -2.162  1.00  0.00           O  
HETATM   43  C   UNL     1      10.436  -1.453  -0.357  1.00  0.00           C  
HETATM   44  O   UNL     1      10.324  -1.393   1.066  1.00  0.00           O  
HETATM   45  C   UNL     1      11.244  -0.254  -0.857  1.00  0.00           C  
HETATM   46  C   UNL     1      12.624  -0.258  -0.197  1.00  0.00           C  
HETATM   47  C   UNL     1      11.405  -0.346  -2.376  1.00  0.00           C  
HETATM   48  C   UNL     1      10.510   1.040  -0.499  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.774  -1.861   5.069  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.229   0.509   4.494  1.00  0.00           C  
HETATM   51  H   UNL     1      -1.603   0.721   2.081  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.275   1.081  -1.484  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.777  -0.971   0.766  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.044   0.291   1.993  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.333   4.557   0.706  1.00  0.00           H  
HETATM   56  H   UNL     1     -14.328   0.608  -2.154  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.471  -3.274   2.938  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.478  -2.403   1.941  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.942   3.101   1.312  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.223   1.049   1.097  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.631   2.712   0.871  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.982  -3.895  -1.523  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.392  -4.179  -1.059  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.446  -1.492  -0.315  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.938  -1.458   3.104  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.832  -0.647   3.637  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.663   1.812  -1.691  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.553   1.158   1.307  1.00  0.00           H  
HETATM   69  H   UNL     1       0.916   0.361   1.408  1.00  0.00           H  
HETATM   70  H   UNL     1       0.853  -1.369   1.824  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.919   2.822   1.598  1.00  0.00           H  
HETATM   72  H   UNL     1       1.627  -1.946  -0.460  1.00  0.00           H  
HETATM   73  H   UNL     1       1.690  -0.217  -0.876  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.073   2.880  -1.195  1.00  0.00           H  
HETATM   75  H   UNL     1       3.250  -0.632   1.442  1.00  0.00           H  
HETATM   76  H   UNL     1       5.761   0.017   0.709  1.00  0.00           H  
HETATM   77  H   UNL     1       5.698  -1.712   1.125  1.00  0.00           H  
HETATM   78  H   UNL     1       6.472  -2.290  -1.159  1.00  0.00           H  
HETATM   79  H   UNL     1       6.535  -0.561  -1.575  1.00  0.00           H  
HETATM   80  H   UNL     1       8.095  -0.975   0.743  1.00  0.00           H  
HETATM   81  H   UNL     1      10.940  -2.376  -0.643  1.00  0.00           H  
HETATM   82  H   UNL     1       9.884  -0.596   1.393  1.00  0.00           H  
HETATM   83  H   UNL     1      13.146  -1.180  -0.451  1.00  0.00           H  
HETATM   84  H   UNL     1      12.509  -0.193   0.886  1.00  0.00           H  
HETATM   85  H   UNL     1      10.435  -0.208  -2.853  1.00  0.00           H  
HETATM   86  H   UNL     1      12.091   0.431  -2.716  1.00  0.00           H  
HETATM   87  H   UNL     1      11.805  -1.325  -2.641  1.00  0.00           H  
HETATM   88  H   UNL     1      10.395   1.105   0.583  1.00  0.00           H  
HETATM   89  H   UNL     1      11.086   1.894  -0.856  1.00  0.00           H  
HETATM   90  H   UNL     1       9.527   1.043  -0.970  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.745  -2.019   5.393  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.372  -1.519   5.913  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.183  -2.797   4.689  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.207   0.347   4.836  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.233   1.255   3.700  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.839   0.861   5.326  1.00  0.00           H  
HETATM   97  O   UNL     1      15.859  -0.007  -0.670  1.00  0.00           O  
HETATM   98  H   UNL     1      16.269   2.823  -0.548  1.00  0.00           H  
HETATM   99  H   UNL     1      15.888  -0.118  -1.630  1.00  0.00           H  
CONECT    1    4   20   23   51                                       
CONECT    2    3   10   52                                            
CONECT    3    2    4   27   27                                       
CONECT    3   30   30                                                 
CONECT    4    1    3   53   54                                       
CONECT    5    7    7   15                                            
CONECT    6   28   55                                                 
CONECT    7    5    5   11   56                                       
CONECT    8   20   57   58                                            
CONECT    9   24   59                                                 
CONECT   10    2   31   60   61                                       
CONECT   11    7   13   13                                            
CONECT   12   25   98                                                 
CONECT   13   11   11   14   19                                       
CONECT   14   13   15   15   17                                       
CONECT   15    5   14   14   16                                       
CONECT   16   15   62   63                                            
CONECT   17   14   18   18                                            
CONECT   18   17   17   19   64                                       
CONECT   19   13   18   22                                            
CONECT   20    1    8   21   65                                       
CONECT   21   20   49   50   66                                       
CONECT   22   19   24   32   67                                       
CONECT   23    1   26                                                 
CONECT   24    9   22   28   68                                       
CONECT   25   12   33   33   37                                       
CONECT   25   97                                                      
CONECT   26   23   29   69   70                                       
CONECT   27    3    3                                                 
CONECT   28    6   24   31   71                                       
CONECT   29   26   34   72   73                                       
CONECT   30    3    3                                                 
CONECT   31   10   28   32   74                                       
CONECT   32   22   31                                                 
CONECT   33   25   25                                                 
CONECT   34   29   35   75                                            
CONECT   35   34   36   36   38                                       
CONECT   36   35   35                                                 
CONECT   37   25   46                                                 
CONECT   38   35   39   76   77                                       
CONECT   39   38   40   78   79                                       
CONECT   40   39   41   80                                            
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   45   81                                       
CONECT   44   43   82                                                 
CONECT   45   43   46   47   48                                       
CONECT   46   37   45   83   84                                       
CONECT   47   45   85   86   87                                       
CONECT   48   45   88   89   90                                       
CONECT   49   21   91   92   93                                       
CONECT   50   21   94   95   96                                       
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   34                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
CONECT   83   46                                                      
CONECT   84   46                                                      
CONECT   85   47                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
CONECT   88   48                                                      
CONECT   89   48                                                      
CONECT   90   48                                                      
CONECT   91   49                                                      
CONECT   92   49                                                      
CONECT   93   49                                                      
CONECT   94   50                                                      
CONECT   95   50                                                      
CONECT   96   50                                                      
CONECT   97   25   99                                                 
CONECT   98   12                                                      
CONECT   99   97                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
