COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      23.776  27.346  16.530  1.00  0.00           O  
HETATM    2  O   UNL     1      28.150  23.726  20.973  1.00  0.00           O  
HETATM    3  O   UNL     1      21.197  22.878  18.319  1.00  0.00           O  
HETATM    4  O   UNL     1      21.041  24.866  20.385  1.00  0.00           O  
HETATM    5  O   UNL     1      20.680  25.641  17.916  1.00  0.00           O  
HETATM    6  O   UNL     1      18.828  23.728  17.558  1.00  0.00           O  
HETATM    7  O   UNL     1      22.869  20.937  18.308  1.00  0.00           O  
HETATM    8  O   UNL     1      21.024  20.979  19.968  1.00  0.00           O  
HETATM    9  O   UNL     1      23.480  23.133  22.680  1.00  0.00           O  
HETATM   10  O   UNL     1      26.800  22.333  18.856  1.00  0.00           O  
HETATM   11  O   UNL     1      26.085  25.611  20.616  1.00  0.00           O  
HETATM   12  O   UNL     1      19.121  23.163  20.154  1.00  0.00           O  
HETATM   13  O   UNL     1      23.566  25.317  21.087  1.00  0.00           O  
HETATM   14  O   UNL     1      25.731  27.187  14.684  1.00  0.00           O  
HETATM   15  O   UNL     1      21.783  25.275  23.101  1.00  0.00           O  
HETATM   16  O   UNL     1      18.523  25.714  19.590  1.00  0.00           O  
HETATM   17  O   UNL     1      22.962  18.804  20.212  1.00  0.00           O  
HETATM   18  O   UNL     1      21.646  26.211  15.441  1.00  0.00           O  
HETATM   19  O   UNL     1      25.793  29.270  16.627  1.00  0.00           O  
HETATM   20  O   UNL     1      24.841  20.523  20.366  1.00  0.00           O  
HETATM   21  O   UNL     1      25.387  17.886  19.272  1.00  0.00           O  
HETATM   22  O   UNL     1      18.478  20.489  20.369  1.00  0.00           O  
HETATM   23  O   UNL     1      20.803  22.922  22.149  1.00  0.00           O  
HETATM   24  O   UNL     1      21.773  17.979  22.585  1.00  0.00           O  
HETATM   25  O   UNL     1      24.846  24.510  18.646  1.00  0.00           O  
HETATM   26  O   UNL     1      25.579  25.237  16.353  1.00  0.00           O  
HETATM   27  O   UNL     1      21.107  21.105  16.054  1.00  0.00           O  
HETATM   28  O   UNL     1      25.536  27.215  18.500  1.00  0.00           O  
HETATM   29  O   UNL     1      23.138  24.687  16.785  1.00  0.00           O  
HETATM   30  O   UNL     1      21.356  28.270  17.383  1.00  0.00           O  
HETATM   31  O   UNL     1      24.664  27.863  20.939  1.00  0.00           O  
HETATM   32  O   UNL     1      22.967  26.740  18.911  1.00  0.00           O  
HETATM   33  O   UNL     1      18.059  22.113  22.540  1.00  0.00           O  
HETATM   34  O   UNL     1      27.521  27.001  16.689  1.00  0.00           O  
HETATM   35  O   UNL     1      28.210  20.440  17.276  1.00  0.00           O  
HETATM   36  O   UNL     1      23.794  25.306  14.160  1.00  0.00           O  
HETATM   37  O   UNL     1      20.675  23.643  15.621  1.00  0.00           O  
HETATM   38  O   UNL     1      25.492  20.193  17.844  1.00  0.00           O  
HETATM   39  O   UNL     1      25.505  22.975  21.124  1.00  0.00           O  
HETATM   40  O   UNL     1      27.700  24.800  18.508  1.00  0.00           O  
HETATM   41  O   UNL     1      27.700  22.985  16.423  1.00  0.00           O  
HETATM   42  O   UNL     1      20.356  18.452  20.282  1.00  0.00           O  
HETATM   43  O   UNL     1      20.181  20.284  22.343  1.00  0.00           O  
HETATM   44  P   UNL     1      22.020  21.892  19.163  1.00  0.00           P  
HETATM   45  P   UNL     1      24.574  24.259  17.173  1.00  0.00           P  
HETATM   46  W   UNL     1      22.139  26.778  17.201  1.00  0.00           W  
HETATM   47  W   UNL     1      22.162  24.544  14.651  1.00  0.00           W  
HETATM   48  W   UNL     1      24.403  19.299  18.993  1.00  0.00           W  
HETATM   49  W   UNL     1      24.421  21.687  21.792  1.00  0.00           W  
HETATM   50  W   UNL     1      19.719  24.600  19.039  1.00  0.00           W  
HETATM   51  W   UNL     1      19.723  22.371  16.515  1.00  0.00           W  
HETATM   52  W   UNL     1      24.569  26.471  19.941  1.00  0.00           W  
HETATM   53  W   UNL     1      24.630  21.805  14.669  1.00  0.00           W  
HETATM   54  W   UNL     1      26.828  23.945  19.884  1.00  0.00           W  
HETATM   55  W   UNL     1      26.869  21.528  17.124  1.00  0.00           W  
HETATM   56  W   UNL     1      22.181  24.255  21.797  1.00  0.00           W  
HETATM   57  W   UNL     1      22.213  19.582  16.474  1.00  0.00           W  
HETATM   58  W   UNL     1      21.652  19.278  21.510  1.00  0.00           W  
HETATM   59  W   UNL     1      19.392  21.806  21.500  1.00  0.00           W  
HETATM   60  W   UNL     1      19.444  19.514  18.985  1.00  0.00           W  
HETATM   61  W   UNL     1      25.757  27.564  16.606  1.00  0.00           W  
HETATM   62  W   UNL     1      25.788  25.351  14.025  1.00  0.00           W  
HETATM   63 NI   UNL     1      27.980  24.978  16.509  1.00  0.00          Ni  
HETATM   64  O   UNL     1      22.880  22.579  20.248  1.00  0.00           O  
HETATM   65  O   UNL     1      23.462  18.530  17.482  1.00  0.00           O  
HETATM   66  O   UNL     1      26.190  21.004  15.372  1.00  0.00           O  
HETATM   67  O   UNL     1      19.145  21.017  17.781  1.00  0.00           O  
HETATM   68  O   UNL     1      23.610  20.474  15.561  1.00  0.00           O  
HETATM   69  O   UNL     1      21.806  18.449  15.269  1.00  0.00           O  
HETATM   70  O   UNL     1      18.546  21.956  15.320  1.00  0.00           O  
HETATM   71  O   UNL     1      22.918  20.527  22.195  1.00  0.00           O  
HETATM   72  O   UNL     1      25.888  25.564  12.338  1.00  0.00           O  
HETATM   73  O   UNL     1      25.432  21.140  23.070  1.00  0.00           O  
HETATM   74  O   UNL     1      20.852  19.063  17.770  1.00  0.00           O  
HETATM   75  O   UNL     1      24.882  22.832  16.770  1.00  0.00           O  
HETATM   76  O   UNL     1      25.539  23.409  14.151  1.00  0.00           O  
HETATM   77  O   UNL     1      21.403  24.631  13.141  1.00  0.00           O  
HETATM   78  O   UNL     1      24.729  21.108  13.122  1.00  0.00           O  
HETATM   79  O   UNL     1      23.011  22.843  14.575  1.00  0.00           O  
HETATM   80  O   UNL     1      18.238  18.349  18.566  1.00  0.00           O  
HETATM   81  O   UNL     1      27.545  25.106  14.503  1.00  0.00           O  
HETATM   82  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   83  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1   46   61                                                 
CONECT    2   54                                                      
CONECT    3   44   50   51                                            
CONECT    4   50   56                                                 
CONECT    5   46   50                                                 
CONECT    6   50   51                                                 
CONECT    7   44   48   57                                            
CONECT    8   44   58   59   60                                       
CONECT    9   49   56                                                 
CONECT   10   54   55                                                 
CONECT   11   52   54                                                 
CONECT   12   50   59                                                 
CONECT   13   52   56                                                 
CONECT   14   61   62                                                 
CONECT   15   56                                                      
CONECT   16   50                                                      
CONECT   17   48   58                                                 
CONECT   18   46   47                                                 
CONECT   19   61                                                      
CONECT   20   48   49                                                 
CONECT   21   48                                                      
CONECT   22   59   60                                                 
CONECT   23   56   59                                                 
CONECT   24   58                                                      
CONECT   25   45   52   54                                            
CONECT   26   45   61   62                                            
CONECT   27   51   57                                                 
CONECT   28   52   61                                                 
CONECT   29   45   46   47                                            
CONECT   30   46                                                      
CONECT   31   52                                                      
CONECT   32   46   52                                                 
CONECT   33   59                                                      
CONECT   34   61   63                                                 
CONECT   35   55                                                      
CONECT   36   47   62                                                 
CONECT   37   47   51                                                 
CONECT   38   48   55                                                 
CONECT   39   49   54                                                 
CONECT   40   54   63                                                 
CONECT   41   55   63                                                 
CONECT   42   58   60                                                 
CONECT   43   58   59                                                 
CONECT   44    3    7    8   64                                       
CONECT   44   82                                                      
CONECT   45   25   26   29   75                                       
CONECT   45   83                                                      
CONECT   46    1    5   18   29                                       
CONECT   46   30   32                                                 
CONECT   47   18   29   36   37                                       
CONECT   47   77   79                                                 
CONECT   48    7   17   20   21                                       
CONECT   48   38   65                                                 
CONECT   49    9   20   39   64                                       
CONECT   49   71   73                                                 
CONECT   50    3    4    5    6                                       
CONECT   50   12   16                                                 
CONECT   51    3    6   27   37                                       
CONECT   51   67   70                                                 
CONECT   52   11   13   25   28                                       
CONECT   52   31   32                                                 
CONECT   53   66   68   75   76                                       
CONECT   53   78   79                                                 
CONECT   54    2   10   11   25                                       
CONECT   54   39   40                                                 
CONECT   55   10   35   38   41                                       
CONECT   55   66   75                                                 
CONECT   56    4    9   13   15                                       
CONECT   56   23   64                                                 
CONECT   57    7   27   65   68                                       
CONECT   57   69   74                                                 
CONECT   58    8   17   24   42                                       
CONECT   58   43   71                                                 
CONECT   59    8   12   22   23                                       
CONECT   59   33   43                                                 
CONECT   60    8   22   42   67                                       
CONECT   60   74   80                                                 
CONECT   61    1   14   19   26                                       
CONECT   61   28   34                                                 
CONECT   62   14   26   36   72                                       
CONECT   62   76   81                                                 
CONECT   63   34   40   41   81                                       
CONECT   64   44   49   56                                            
CONECT   65   48   57                                                 
CONECT   66   53   55                                                 
CONECT   67   51   60                                                 
CONECT   68   53   57                                                 
CONECT   69   57                                                      
CONECT   70   51                                                      
CONECT   71   49   58                                                 
CONECT   72   62                                                      
CONECT   73   49                                                      
CONECT   74   57   60                                                 
CONECT   75   45   53   55                                            
CONECT   76   53   62                                                 
CONECT   77   47                                                      
CONECT   78   53                                                      
CONECT   79   47   53                                                 
CONECT   80   60                                                      
CONECT   81   62   63                                                 
CONECT   82   44                                                      
CONECT   83   45                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
