COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  W   UNL     1      -1.083  -1.282  -4.600  1.00  0.00           W  
HETATM    2  W   UNL     1      -2.282  -2.893  -1.718  1.00  0.00           W  
HETATM    3  W   UNL     1       2.075   3.381  -1.934  1.00  0.00           W  
HETATM    4  W   UNL     1       1.529   2.638   1.442  1.00  0.00           W  
HETATM    5  W   UNL     1      -2.408   1.554  -4.007  1.00  0.00           W  
HETATM    6  W   UNL     1      -3.887   0.359  -0.806  1.00  0.00           W  
HETATM    7  W   UNL     1       3.254   0.833  -2.259  1.00  0.00           W  
HETATM    8  W   UNL     1       2.610  -0.380   1.304  1.00  0.00           W  
HETATM    9  W   UNL     1       1.536  -1.682  -3.688  1.00  0.00           W  
HETATM   10  W   UNL     1       0.606  -3.268  -0.332  1.00  0.00           W  
HETATM   11  W   UNL     1      -0.962   3.634  -2.741  1.00  0.00           W  
HETATM   12  W   UNL     1      -2.105   2.976   0.783  1.00  0.00           W  
HETATM   13  W   UNL     1       0.537   1.333  -0.210  1.00  0.00           W  
HETATM   14  W   UNL     1      -1.032  -0.933  -1.607  1.00  0.00           W  
HETATM   15  W   UNL     1       2.603  -1.688  -0.907  1.00  0.00           W  
HETATM   16  W   UNL     1       1.248   3.530  -5.142  1.00  0.00           W  
HETATM   17  W   UNL     1       0.075   1.453  -6.210  1.00  0.00           W  
HETATM   18  W   UNL     1       2.559   0.890  -5.524  1.00  0.00           W  
HETATM   19  O   UNL     1       3.459   0.361  -0.429  1.00  0.00           O2-
HETATM   20  O   UNL     1       2.275   3.675  -0.096  1.00  0.00           O2-
HETATM   21  O   UNL     1      -1.646   3.285  -1.104  1.00  0.00           O2-
HETATM   22  O   UNL     1      -3.377   1.150  -2.530  1.00  0.00           O2-
HETATM   23  O   UNL     1      -2.111  -2.563  -3.685  1.00  0.00           O2-
HETATM   24  O   UNL     1       1.216  -2.916  -2.277  1.00  0.00           O2-
HETATM   25  O   UNL     1      -2.281  -0.010  -4.766  1.00  0.00           O2-
HETATM   26  O   UNL     1       0.609   4.268  -2.324  1.00  0.00           O2-
HETATM   27  O   UNL     1       2.780  -0.482  -3.337  1.00  0.00           O2-
HETATM   28  O   UNL     1      -0.170   4.106  -4.249  1.00  0.00           O2-
HETATM   29  O   UNL     1       2.182   3.752  -3.656  1.00  0.00           O2-
HETATM   30  O   UNL     1       2.226  -0.797  -5.061  1.00  0.00           O2-
HETATM   31  O   UNL     1       3.474   1.099  -4.004  1.00  0.00           O2-
HETATM   32  O   UNL     1       0.301  -2.381  -4.738  1.00  0.00           O2-
HETATM   33  O   UNL     1       3.606   2.515  -1.889  1.00  0.00           O2-
HETATM   34  O   UNL     1      -2.482   3.238  -3.522  1.00  0.00           O2-
HETATM   35  O   UNL     1       0.387   3.264  -6.708  1.00  0.00           O2-
HETATM   36  O   UNL     1       1.634   0.784  -7.077  1.00  0.00           O2-
HETATM   37  O   UNL     1       2.647   2.642  -5.763  1.00  0.00           O2-
HETATM   38  O   UNL     1       2.473  -2.993  -4.361  1.00  0.00           O2-
HETATM   39  O   UNL     1      -1.981  -2.159  -5.805  1.00  0.00           O2-
HETATM   40  O   UNL     1      -3.971   1.659  -4.763  1.00  0.00           O2-
HETATM   41  O   UNL     1      -1.509   5.267  -2.495  1.00  0.00           O2-
HETATM   42  O   UNL     1       2.846   4.931  -1.765  1.00  0.00           O2-
HETATM   43  O   UNL     1       4.997   0.727  -2.299  1.00  0.00           O2-
HETATM   44  O   UNL     1       4.044   0.476  -6.332  1.00  0.00           O2-
HETATM   45  O   UNL     1      -1.089   0.534  -7.968  1.00  0.00           O2-
HETATM   46  O   UNL     1      -3.595  -1.464  -1.431  1.00  0.00           O2-
HETATM   47  O   UNL     1      -0.273   3.450   1.261  1.00  0.00           O2-
HETATM   48  O   UNL     1       1.768  -2.172   0.908  1.00  0.00           O2-
HETATM   49  O   UNL     1      -1.709  -2.234  -0.222  1.00  0.00           O2-
HETATM   50  O   UNL     1      -2.432   0.197  -1.797  1.00  0.00           O2-
HETATM   51  O   UNL     1      -1.197   1.758  -0.047  1.00  0.00           O2-
HETATM   52  O   UNL     1       0.699   1.135   1.782  1.00  0.00           O2-
HETATM   53  O   UNL     1       2.396  -3.611  -0.784  1.00  0.00           O2-
HETATM   54  O   UNL     1       3.936  -1.417   0.470  1.00  0.00           O2-
HETATM   55  O   UNL     1      -0.602  -3.856  -1.713  1.00  0.00           O2-
HETATM   56  O   UNL     1       3.064   1.488   1.291  1.00  0.00           O2-
HETATM   57  O   UNL     1      -3.530   2.177  -0.218  1.00  0.00           O2-
HETATM   58  O   UNL     1      -0.286   0.697  -1.680  1.00  0.00           O2-
HETATM   59  O   UNL     1       0.807  -1.400  -1.511  1.00  0.00           O2-
HETATM   60  O   UNL     1       1.865   0.075  -0.727  1.00  0.00           O2-
HETATM   61  O   UNL     1       0.611  -4.840   0.316  1.00  0.00           O2-
HETATM   62  O   UNL     1      -3.313  -4.216  -1.440  1.00  0.00           O2-
HETATM   63  O   UNL     1      -5.455   0.449  -1.455  1.00  0.00           O2-
HETATM   64  O   UNL     1      -2.289   1.664   1.812  1.00  0.00           O2-
HETATM   65  O   UNL     1       1.975   3.393   2.899  1.00  0.00           O2-
HETATM   66  O   UNL     1       3.529  -0.591   2.719  1.00  0.00           O2-
HETATM   67  O   UNL     1       3.820  -1.838  -2.160  1.00  0.00           O2-
HETATM   68  O   UNL     1      -1.151  -1.323  -2.708  1.00  0.00           O2-
HETATM   69  O   UNL     1       0.993   2.392  -0.630  1.00  0.00           O2-
HETATM   70  O   UNL     1      -0.519  -0.365  -5.995  1.00  0.00           O2-
HETATM   71  O   UNL     1      -1.683   1.936  -5.572  1.00  0.00           O2-
HETATM   72  O   UNL     1       1.733   5.125  -5.642  1.00  0.00           O2-
HETATM   73  P   UNL     1       0.592   1.258  -3.726  1.00  0.00           P  
HETATM   74  O   UNL     1      -0.762   2.027  -3.486  1.00  0.00           O  
HETATM   75  O   UNL     1       1.773   1.745  -2.768  1.00  0.00           O1-
HETATM   76  O   UNL     1       0.387  -0.306  -3.988  1.00  0.00           O1-
HETATM   77  O   UNL     1       1.077   1.759  -5.033  1.00  0.00           O1-
HETATM   78  P   UNL     1      -0.606  -0.504   0.757  1.00  0.00           P  
HETATM   79  O   UNL     1      -1.813   0.538   0.477  1.00  0.00           O  
HETATM   80  O   UNL     1       0.388   0.191   1.809  1.00  0.00           O1-
HETATM   81  O   UNL     1      -1.156  -1.991   0.558  1.00  0.00           O1-
HETATM   82  O   UNL     1       0.489  -0.662  -0.342  1.00  0.00           O1-
CONECT    1   23   25   32   39                                       
CONECT    1   70   76                                                 
CONECT    2   23   46   49   55                                       
CONECT    2   62   81                                                 
CONECT    3   20   26   29   33                                       
CONECT    3   42   75                                                 
CONECT    4   20   47   52   56                                       
CONECT    4   65   80                                                 
CONECT    5   22   25   34   40                                       
CONECT    5   71   74                                                 
CONECT    6   22   46   50   57                                       
CONECT    6   63   79                                                 
CONECT    7   19   27   31   33                                       
CONECT    7   43   75                                                 
CONECT    8   19   48   54   56                                       
CONECT    8   66   80                                                 
CONECT    9   24   27   30   32                                       
CONECT    9   38   76                                                 
CONECT   10   24   48   53   55                                       
CONECT   10   61   81                                                 
CONECT   11   21   26   28   34                                       
CONECT   11   41   74                                                 
CONECT   12   21   47   51   57                                       
CONECT   12   64   79                                                 
CONECT   13   51   52   58   60                                       
CONECT   13   69   82                                                 
CONECT   14   49   50   58   59                                       
CONECT   14   68   82                                                 
CONECT   15   53   54   59   60                                       
CONECT   15   67   82                                                 
CONECT   16   28   29   35   37                                       
CONECT   16   72   77                                                 
CONECT   17   35   36   45   70                                       
CONECT   17   71   77                                                 
CONECT   18   30   31   36   37                                       
CONECT   18   44   77                                                 
CONECT   19    7    8                                                 
CONECT   20    3    4                                                 
CONECT   21   11   12                                                 
CONECT   22    5    6                                                 
CONECT   23    1    2                                                 
CONECT   24    9   10                                                 
CONECT   25    1    5                                                 
CONECT   26    3   11                                                 
CONECT   27    7    9                                                 
CONECT   28   11   16                                                 
CONECT   29    3   16                                                 
CONECT   30    9   18                                                 
CONECT   31    7   18                                                 
CONECT   32    1    9                                                 
CONECT   33    3    7                                                 
CONECT   34    5   11                                                 
CONECT   35   16   17                                                 
CONECT   36   17   18                                                 
CONECT   37   16   18                                                 
CONECT   38    9                                                      
CONECT   39    1                                                      
CONECT   40    5                                                      
CONECT   41   11                                                      
CONECT   42    3                                                      
CONECT   43    7                                                      
CONECT   44   18                                                      
CONECT   45   17                                                      
CONECT   46    2    6                                                 
CONECT   47    4   12                                                 
CONECT   48    8   10                                                 
CONECT   49    2   14                                                 
CONECT   50    6   14                                                 
CONECT   51   12   13                                                 
CONECT   52    4   13                                                 
CONECT   53   10   15                                                 
CONECT   54    8   15                                                 
CONECT   55    2   10                                                 
CONECT   56    4    8                                                 
CONECT   57    6   12                                                 
CONECT   58   13   14                                                 
CONECT   59   14   15                                                 
CONECT   60   13   15                                                 
CONECT   61   10                                                      
CONECT   62    2                                                      
CONECT   63    6                                                      
CONECT   64   12                                                      
CONECT   65    4                                                      
CONECT   66    8                                                      
CONECT   67   15                                                      
CONECT   68   14                                                      
CONECT   69   13                                                      
CONECT   70    1   17                                                 
CONECT   71    5   17                                                 
CONECT   72   16                                                      
CONECT   73   74   74   75   76                                       
CONECT   73   77                                                      
CONECT   74    5   11   73   73                                       
CONECT   75    3    7   73                                            
CONECT   76    1    9   73                                            
CONECT   77   16   17   18   73                                       
CONECT   78   79   79   80   81                                       
CONECT   78   82                                                      
CONECT   79    6   12   78   78                                       
CONECT   80    4    8   78                                            
CONECT   81    2   10   78                                            
CONECT   82   13   14   15   78                                       
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
