COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.940   0.188  -3.837  1.00  0.00           O  
HETATM    2  P   UNL     1      -4.651   0.084  -2.257  1.00  0.00           P  
HETATM    3  O   UNL     1      -5.234   1.258  -1.571  1.00  0.00           O  
HETATM    4  O   UNL     1      -5.316  -1.262  -1.676  1.00  0.00           O  
HETATM    5  O   UNL     1      -3.061   0.049  -2.003  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.710   0.071  -0.690  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.560  -1.109   0.012  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.737  -2.579  -0.376  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.305  -3.143   0.984  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.322  -3.158  -0.319  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.472  -3.648  -1.286  1.00  0.00           C  
HETATM   12  C   UNL     1       0.764  -4.124  -0.915  1.00  0.00           C  
HETATM   13  C   UNL     1       1.925  -4.731  -1.707  1.00  0.00           C  
HETATM   14  C   UNL     1       2.429  -5.796  -0.659  1.00  0.00           C  
HETATM   15  C   UNL     1       3.046  -3.695  -1.580  1.00  0.00           C  
HETATM   16  C   UNL     1       3.658  -2.864  -2.486  1.00  0.00           C  
HETATM   17  C   UNL     1       4.669  -2.016  -2.062  1.00  0.00           C  
HETATM   18  C   UNL     1       5.058  -2.008  -0.736  1.00  0.00           C  
HETATM   19  C   UNL     1       4.438  -2.846   0.176  1.00  0.00           C  
HETATM   20  C   UNL     1       3.435  -3.685  -0.246  1.00  0.00           C  
HETATM   21  C   UNL     1       2.559  -4.710   0.478  1.00  0.00           C  
HETATM   22  C   UNL     1       1.153  -4.106   0.419  1.00  0.00           C  
HETATM   23  C   UNL     1       0.308  -3.607   1.385  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.932  -3.137   1.015  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.100  -2.546   1.809  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.177  -1.089   1.347  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.960   0.113   1.993  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.581   0.133   3.298  1.00  0.00           O  
HETATM   29  P   UNL     1       0.014   0.107   3.518  1.00  0.00           P  
HETATM   30  O   UNL     1       0.342   0.266   5.086  1.00  0.00           O  
HETATM   31  O   UNL     1       0.606  -1.292   2.985  1.00  0.00           O  
HETATM   32  O   UNL     1       0.633   1.223   2.769  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.131   1.294   1.296  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.494   1.273  -0.044  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.582   2.730  -0.503  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.149   3.383   0.817  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.006   2.765   1.699  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.787   3.257   0.915  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.139   3.237  -0.437  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.240   3.630  -1.404  1.00  0.00           C  
HETATM   41  C   UNL     1       1.014   4.052  -1.024  1.00  0.00           C  
HETATM   42  C   UNL     1       2.229   4.546  -1.813  1.00  0.00           C  
HETATM   43  C   UNL     1       2.775   5.629  -0.805  1.00  0.00           C  
HETATM   44  C   UNL     1       3.279   3.451  -1.606  1.00  0.00           C  
HETATM   45  C   UNL     1       3.861   2.539  -2.453  1.00  0.00           C  
HETATM   46  C   UNL     1       4.803   1.651  -1.960  1.00  0.00           C  
HETATM   47  C   UNL     1       5.156   1.684  -0.623  1.00  0.00           C  
HETATM   48  C   UNL     1       4.567   2.603   0.229  1.00  0.00           C  
HETATM   49  C   UNL     1       3.633   3.483  -0.262  1.00  0.00           C  
HETATM   50  C   UNL     1       2.808   4.597   0.387  1.00  0.00           C  
HETATM   51  C   UNL     1       1.368   4.081   0.320  1.00  0.00           C  
HETATM   52  C   UNL     1       0.465   3.678   1.302  1.00  0.00           C  
HETATM   53  H   UNL     1      -5.880   0.213  -4.064  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.981  -2.073  -2.082  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.308  -2.777  -1.283  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.262  -2.699   1.256  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.332  -4.233   1.008  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.773  -3.657  -2.323  1.00  0.00           H  
HETATM   59  H   UNL     1       1.694  -5.095  -2.708  1.00  0.00           H  
HETATM   60  H   UNL     1       1.678  -6.553  -0.434  1.00  0.00           H  
HETATM   61  H   UNL     1       3.388  -6.235  -0.933  1.00  0.00           H  
HETATM   62  H   UNL     1       3.355  -2.871  -3.522  1.00  0.00           H  
HETATM   63  H   UNL     1       5.154  -1.360  -2.770  1.00  0.00           H  
HETATM   64  H   UNL     1       5.847  -1.346  -0.410  1.00  0.00           H  
HETATM   65  H   UNL     1       4.742  -2.842   1.212  1.00  0.00           H  
HETATM   66  H   UNL     1       2.913  -5.054   1.450  1.00  0.00           H  
HETATM   67  H   UNL     1       0.614  -3.586   2.420  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.099  -2.729   2.883  1.00  0.00           H  
HETATM   69  H   UNL     1       1.287   0.259   5.293  1.00  0.00           H  
HETATM   70  H   UNL     1       0.243  -2.069   3.433  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.123   2.933  -1.427  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.122   4.472   0.792  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.133   3.000   1.086  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.033   2.984   2.767  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.516   3.607  -2.448  1.00  0.00           H  
HETATM   76  H   UNL     1       2.045   4.872  -2.837  1.00  0.00           H  
HETATM   77  H   UNL     1       3.767   5.992  -1.075  1.00  0.00           H  
HETATM   78  H   UNL     1       2.069   6.442  -0.639  1.00  0.00           H  
HETATM   79  H   UNL     1       3.586   2.515  -3.497  1.00  0.00           H  
HETATM   80  H   UNL     1       5.263   0.932  -2.621  1.00  0.00           H  
HETATM   81  H   UNL     1       5.891   0.990  -0.243  1.00  0.00           H  
HETATM   82  H   UNL     1       4.842   2.630   1.273  1.00  0.00           H  
HETATM   83  H   UNL     1       3.161   4.967   1.350  1.00  0.00           H  
HETATM   84  H   UNL     1       0.736   3.699   2.347  1.00  0.00           H  
CONECT    1    2   53                                                 
CONECT    2    3    3    1    4                                       
CONECT    2    5                                                      
CONECT    3    2    2                                                 
CONECT    4    2   54                                                 
CONECT    5    2    6                                                 
CONECT    6    5   34   34    7                                       
CONECT    7    6    8   26   26                                       
CONECT    8    7   10    9   55                                       
CONECT    9    8   25   56   57                                       
CONECT   10    8   11   11   24                                       
CONECT   11   10   10   12   58                                       
CONECT   12   11   13   22   22                                       
CONECT   13   12   15   14   59                                       
CONECT   14   13   21   60   61                                       
CONECT   15   16   13   20   20                                       
CONECT   16   17   17   15   62                                       
CONECT   17   16   16   18   63                                       
CONECT   18   17   19   19   64                                       
CONECT   19   18   18   20   65                                       
CONECT   20   15   15   19   21                                       
CONECT   21   22   20   14   66                                       
CONECT   22   12   12   23   21                                       
CONECT   23   24   24   22   67                                       
CONECT   24   10   25   23   23                                       
CONECT   25   26    9   24   68                                       
CONECT   26    7    7   27   25                                       
CONECT   27   33   33   26   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   32   32   30                                       
CONECT   29   31                                                      
CONECT   30   29   69                                                 
CONECT   31   29   70                                                 
CONECT   32   29   29                                                 
CONECT   33   34   37   27   27                                       
CONECT   34   35    6    6   33                                       
CONECT   35   39   36   34   71                                       
CONECT   36   35   37   72   73                                       
CONECT   37   36   38   33   74                                       
CONECT   38   39   39   37   52                                       
CONECT   39   40   35   38   38                                       
CONECT   40   41   41   39   75                                       
CONECT   41   40   40   42   51                                       
CONECT   42   43   41   44   76                                       
CONECT   43   42   50   77   78                                       
CONECT   44   42   45   45   49                                       
CONECT   45   44   44   46   79                                       
CONECT   46   45   47   47   80                                       
CONECT   47   46   46   48   81                                       
CONECT   48   49   49   47   82                                       
CONECT   49   44   50   48   48                                       
CONECT   50   43   51   49   83                                       
CONECT   51   41   50   52   52                                       
CONECT   52   51   51   38   84                                       
CONECT   53    1                                                      
CONECT   54    4                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   40                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   47                                                      
CONECT   82   48                                                      
CONECT   83   50                                                      
CONECT   84   52                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
