COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  W   UNL     1      53.321  90.554 164.037  1.00  0.00           W  
HETATM    2  W   UNL     1      54.711  94.026 164.448  1.00  0.00           W  
HETATM    3  W   UNL     1      55.266  89.026 170.601  1.00  0.00           W  
HETATM    4  W   UNL     1      56.732  92.468 170.956  1.00  0.00           W  
HETATM    5  W   UNL     1      51.023  91.274 166.826  1.00  0.00           W  
HETATM    6  W   UNL     1      52.458  94.711 167.274  1.00  0.00           W  
HETATM    7  W   UNL     1      57.350  88.385 168.061  1.00  0.00           W  
HETATM    8  W   UNL     1      58.812  91.823 168.389  1.00  0.00           W  
HETATM    9  W   UNL     1      56.394  89.306 164.627  1.00  0.00           W  
HETATM   10  W   UNL     1      57.791  92.751 164.997  1.00  0.00           W  
HETATM   11  W   UNL     1      51.929  90.435 169.947  1.00  0.00           W  
HETATM   12  W   UNL     1      53.385  93.864 170.386  1.00  0.00           W  
HETATM   13  W   UNL     1      56.374  96.029 169.982  1.00  0.00           W  
HETATM   14  W   UNL     1      55.514  96.769 166.805  1.00  0.00           W  
HETATM   15  W   UNL     1      58.541  95.417 167.448  1.00  0.00           W  
HETATM   16  W   UNL     1      52.664  86.962 168.914  1.00  0.00           W  
HETATM   17  W   UNL     1      51.648  87.759 165.800  1.00  0.00           W  
HETATM   18  W   UNL     1      54.729  86.430 166.282  1.00  0.00           W  
HETATM   19  O   UNL     1      58.149  90.090 168.465  1.00  0.00           O  
HETATM   20  O   UNL     1      56.250  90.665 170.834  1.00  0.00           O  
HETATM   21  O   UNL     1      52.407  92.266 170.056  1.00  0.00           O  
HETATM   22  O   UNL     1      51.546  92.987 167.310  1.00  0.00           O  
HETATM   23  O   UNL     1      54.250  92.293 163.969  1.00  0.00           O  
HETATM   24  O   UNL     1      56.952  91.062 164.529  1.00  0.00           O  
HETATM   25  O   UNL     1      52.092  91.371 165.250  1.00  0.00           O  
HETATM   26  O   UNL     1      53.636  90.176 170.605  1.00  0.00           O  
HETATM   27  O   UNL     1      57.199  89.043 166.234  1.00  0.00           O  
HETATM   28  O   UNL     1      51.964  88.719 169.461  1.00  0.00           O  
HETATM   29  O   UNL     1      54.128  87.503 169.873  1.00  0.00           O  
HETATM   30  O   UNL     1      55.382  87.574 164.998  1.00  0.00           O  
HETATM   31  O   UNL     1      56.134  87.007 167.367  1.00  0.00           O  
HETATM   32  O   UNL     1      54.912  89.766 163.397  1.00  0.00           O  
HETATM   33  O   UNL     1      56.812  88.200 169.815  1.00  0.00           O  
HETATM   34  O   UNL     1      50.583  90.833 168.774  1.00  0.00           O  
HETATM   35  O   UNL     1      51.429  86.814 167.653  1.00  0.00           O  
HETATM   36  O   UNL     1      53.135  86.443 165.468  1.00  0.00           O  
HETATM   37  O   UNL     1      53.705  85.811 167.825  1.00  0.00           O  
HETATM   38  O   UNL     1      57.519  88.613 163.477  1.00  0.00           O  
HETATM   39  O   UNL     1      52.593  90.759 162.493  1.00  0.00           O  
HETATM   40  O   UNL     1      49.438  91.547 166.188  1.00  0.00           O  
HETATM   41  O   UNL     1      50.918  90.343 171.360  1.00  0.00           O  
HETATM   42  O   UNL     1      55.397  88.421 172.138  1.00  0.00           O  
HETATM   43  O   UNL     1      58.731  87.264 168.282  1.00  0.00           O  
HETATM   44  O   UNL     1      55.234  84.852 165.616  1.00  0.00           O  
HETATM   45  O   UNL     1      50.432  87.250 164.918  1.00  0.00           O  
HETATM   46  O   UNL     1      53.208  94.108 165.616  1.00  0.00           O  
HETATM   47  O   UNL     1      54.792  92.733 171.028  1.00  0.00           O  
HETATM   48  O   UNL     1      58.461  91.917 166.577  1.00  0.00           O  
HETATM   49  O   UNL     1      55.373  95.654 165.330  1.00  0.00           O  
HETATM   50  O   UNL     1      53.783  96.129 167.298  1.00  0.00           O  
HETATM   51  O   UNL     1      54.628  95.363 170.284  1.00  0.00           O  
HETATM   52  O   UNL     1      56.958  94.342 170.696  1.00  0.00           O  
HETATM   53  O   UNL     1      58.252  94.411 165.857  1.00  0.00           O  
HETATM   54  O   UNL     1      58.962  93.780 168.271  1.00  0.00           O  
HETATM   55  O   UNL     1      56.513  93.712 163.831  1.00  0.00           O  
HETATM   56  O   UNL     1      58.455  92.089 170.250  1.00  0.00           O  
HETATM   57  O   UNL     1      52.246  94.845 169.186  1.00  0.00           O  
HETATM   58  O   UNL     1      55.656  97.228 168.637  1.00  0.00           O  
HETATM   59  O   UNL     1      57.371  96.766 166.669  1.00  0.00           O  
HETATM   60  O   UNL     1      58.107  96.150 169.140  1.00  0.00           O  
HETATM   61  O   UNL     1      59.128  92.761 163.923  1.00  0.00           O  
HETATM   62  O   UNL     1      54.187  94.803 163.099  1.00  0.00           O  
HETATM   63  O   UNL     1      51.136  95.662 166.646  1.00  0.00           O  
HETATM   64  O   UNL     1      52.657  94.341 171.886  1.00  0.00           O  
HETATM   65  O   UNL     1      57.040  92.431 172.641  1.00  0.00           O  
HETATM   66  O   UNL     1      60.754  91.632 168.534  1.00  0.00           O  
HETATM   67  O   UNL     1      60.066  96.056 167.218  1.00  0.00           O  
HETATM   68  O   UNL     1      55.108  98.285 166.120  1.00  0.00           O  
HETATM   69  O   UNL     1      56.593  97.036 171.211  1.00  0.00           O  
HETATM   70  O   UNL     1      52.566  88.823 164.518  1.00  0.00           O  
HETATM   71  O   UNL     1      51.079  89.427 166.509  1.00  0.00           O  
HETATM   72  O   UNL     1      51.902  85.834 170.067  1.00  0.00           O  
HETATM   73  P   UNL     1      54.150  89.723 167.344  1.00  0.00           P  
HETATM   74  O   UNL     1      52.999  90.668 167.870  1.00  0.00           O  
HETATM   75  O   UNL     1      55.282  89.626 168.385  1.00  0.00           O  
HETATM   76  O   UNL     1      54.659  90.218 165.937  1.00  0.00           O  
HETATM   77  O   UNL     1      53.572  88.355 167.172  1.00  0.00           O  
HETATM   78  P   UNL     1      55.677  93.386 167.756  1.00  0.00           P  
HETATM   79  O   UNL     1      54.190  93.447 168.179  1.00  0.00           O  
HETATM   80  O   UNL     1      56.441  92.369 168.683  1.00  0.00           O  
HETATM   81  O   UNL     1      55.746  92.989 166.291  1.00  0.00           O  
HETATM   82  O   UNL     1      56.269  94.856 167.916  1.00  0.00           O  
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   75   76   77                                       
CONECT   74    5   11   73                                            
CONECT   75    3    7   73                                            
CONECT   76    1    9   73                                            
CONECT   77   16   17   18   73                                       
CONECT   78   79   80   81   82                                       
CONECT   79    6   12   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
