COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.645   1.161  -5.309  1.00  0.00           O  
HETATM    2  P   UNL     1       2.788   0.324  -4.406  1.00  0.00           P  
HETATM    3  O   UNL     1       1.195   0.565  -4.560  1.00  0.00           O  
HETATM    4  O   UNL     1       2.946  -1.273  -4.599  1.00  0.00           O  
HETATM    5  P   UNL     1       2.691  -2.217  -5.887  1.00  0.00           P  
HETATM    6  O   UNL     1       3.535  -1.883  -7.083  1.00  0.00           O  
HETATM    7  O   UNL     1       2.903  -3.707  -5.291  1.00  0.00           O  
HETATM    8  C   UNL     1       2.159  -4.131  -4.162  1.00  0.00           C  
HETATM    9  C   UNL     1       2.551  -5.556  -3.819  1.00  0.00           C  
HETATM   10  C   UNL     1       1.818  -6.111  -2.610  1.00  0.00           C  
HETATM   11  O   UNL     1       0.524  -6.571  -2.937  1.00  0.00           O  
HETATM   12  C   UNL     1       2.752  -7.213  -2.145  1.00  0.00           C  
HETATM   13  O   UNL     1       2.525  -8.421  -2.869  1.00  0.00           O  
HETATM   14  C   UNL     1       4.133  -6.662  -2.503  1.00  0.00           C  
HETATM   15  N   UNL     1       4.873  -6.141  -1.353  1.00  0.00           N  
HETATM   16  C   UNL     1       5.778  -6.818  -0.584  1.00  0.00           C  
HETATM   17  N   UNL     1       6.173  -8.093  -0.719  1.00  0.00           N  
HETATM   18  C   UNL     1       7.081  -8.408   0.230  1.00  0.00           C  
HETATM   19  N   UNL     1       7.585  -7.628   1.217  1.00  0.00           N  
HETATM   20  C   UNL     1       7.140  -6.351   1.294  1.00  0.00           C  
HETATM   21  N   UNL     1       7.625  -5.492   2.295  1.00  0.00           N  
HETATM   22  C   UNL     1       6.201  -5.905   0.370  1.00  0.00           C  
HETATM   23  N   UNL     1       5.576  -4.696   0.195  1.00  0.00           N  
HETATM   24  C   UNL     1       4.787  -4.871  -0.845  1.00  0.00           C  
HETATM   25  O   UNL     1       3.944  -5.608  -3.471  1.00  0.00           O  
HETATM   26  O   UNL     1       1.098  -2.096  -6.139  1.00  0.00           O  
HETATM   27  O   UNL     1       3.063   0.476  -2.819  1.00  0.00           O  
HETATM   28  C   UNL     1       2.282  -0.292  -1.921  1.00  0.00           C  
HETATM   29  C   UNL     1       2.725   0.023  -0.498  1.00  0.00           C  
HETATM   30  C   UNL     1       1.940  -0.742   0.560  1.00  0.00           C  
HETATM   31  O   UNL     1       2.742  -0.809   1.739  1.00  0.00           O  
HETATM   32  C   UNL     1       0.748   0.163   0.786  1.00  0.00           C  
HETATM   33  O   UNL     1       0.137  -0.058   2.041  1.00  0.00           O  
HETATM   34  C   UNL     1       1.373   1.543   0.675  1.00  0.00           C  
HETATM   35  O   UNL     1       2.470   1.422  -0.246  1.00  0.00           O  
HETATM   36  N   UNL     1       0.452   2.524   0.177  1.00  0.00           N  
HETATM   37  C   UNL     1      -0.284   3.321   1.049  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.195   4.226   0.651  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.495   4.419  -0.818  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.656   3.536  -1.708  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.769   3.631  -3.164  1.00  0.00           C  
HETATM   42  N   UNL     1      -1.139   4.880  -3.606  1.00  0.00           N  
HETATM   43  O   UNL     1      -0.546   2.667  -3.895  1.00  0.00           O  
HETATM   44  C   UNL     1       0.229   2.666  -1.192  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.934   4.043  -1.005  1.00  0.00           C  
HETATM   46  O   UNL     1      -3.271   2.891  -0.752  1.00  0.00           O  
HETATM   47  C   UNL     1      -3.842   5.089  -1.483  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.944   4.745  -2.247  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.772   5.770  -2.674  1.00  0.00           C  
HETATM   50  C   UNL     1      -3.591   6.414  -1.167  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.479   7.365  -1.643  1.00  0.00           C  
HETATM   52  N   UNL     1      -5.568   7.076  -2.391  1.00  0.00           N  
HETATM   53  C   UNL     1      -4.248   8.805  -1.326  1.00  0.00           C  
HETATM   54  C   UNL     1      -3.381   9.497  -2.389  1.00  0.00           C  
HETATM   55  C   UNL     1      -3.176  10.972  -2.082  1.00  0.00           C  
HETATM   56  H   UNL     1       0.799   0.566  -5.457  1.00  0.00           H  
HETATM   57  H   UNL     1       2.376  -3.461  -3.325  1.00  0.00           H  
HETATM   58  H   UNL     1       1.093  -4.072  -4.401  1.00  0.00           H  
HETATM   59  H   UNL     1       2.393  -6.186  -4.703  1.00  0.00           H  
HETATM   60  H   UNL     1       1.738  -5.345  -1.830  1.00  0.00           H  
HETATM   61  H   UNL     1       0.379  -7.375  -2.415  1.00  0.00           H  
HETATM   62  H   UNL     1       2.628  -7.449  -1.084  1.00  0.00           H  
HETATM   63  H   UNL     1       1.830  -8.914  -2.398  1.00  0.00           H  
HETATM   64  H   UNL     1       4.786  -7.421  -2.945  1.00  0.00           H  
HETATM   65  H   UNL     1       7.460  -9.424   0.198  1.00  0.00           H  
HETATM   66  H   UNL     1       6.987  -5.106   2.965  1.00  0.00           H  
HETATM   67  H   UNL     1       8.584  -5.201   2.272  1.00  0.00           H  
HETATM   68  H   UNL     1       4.135  -4.121  -1.273  1.00  0.00           H  
HETATM   69  H   UNL     1       0.749  -1.303  -6.599  1.00  0.00           H  
HETATM   70  H   UNL     1       1.229  -0.035  -2.051  1.00  0.00           H  
HETATM   71  H   UNL     1       2.428  -1.352  -2.133  1.00  0.00           H  
HETATM   72  H   UNL     1       3.804  -0.140  -0.410  1.00  0.00           H  
HETATM   73  H   UNL     1       1.675  -1.764   0.276  1.00  0.00           H  
HETATM   74  H   UNL     1       3.085  -1.713   1.786  1.00  0.00           H  
HETATM   75  H   UNL     1       0.000   0.004   0.000  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.822   0.044   1.916  1.00  0.00           H  
HETATM   77  H   UNL     1       1.772   1.885   1.636  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.065   3.164   2.099  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.726   4.823   1.385  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.360   5.472  -1.086  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.241   5.033  -4.604  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.315   5.653  -2.973  1.00  0.00           H  
HETATM   83  H   UNL     1       0.844   2.019  -1.807  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.164   3.715  -2.508  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.651   5.561  -3.275  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.731   6.701  -0.569  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.209   9.340  -1.240  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.765   8.911  -0.341  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.404   9.004  -2.451  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.850   9.397  -3.375  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.133  11.503  -2.048  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.673  11.106  -1.119  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.557  11.437  -2.856  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   27    3                                       
CONECT    2    4                                                      
CONECT    3    2   56                                                 
CONECT    4    2    5                                                 
CONECT    5    4    7    6    6                                       
CONECT    5   26                                                      
CONECT    6    5    5                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   57   58                                       
CONECT    9    8   25   10   59                                       
CONECT   10    9   11   12   60                                       
CONECT   11   10   61                                                 
CONECT   12   10   14   13   62                                       
CONECT   13   12   63                                                 
CONECT   14   12   15   25   64                                       
CONECT   15   14   16   24                                            
CONECT   16   15   17   22   22                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17   19   65                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   21   22                                       
CONECT   21   20   66   67                                            
CONECT   22   16   16   20   23                                       
CONECT   23   22   24   24                                            
CONECT   24   15   23   23   68                                       
CONECT   25    9   14                                                 
CONECT   26    5   69                                                 
CONECT   27    2   28                                                 
CONECT   28   27   29   70   71                                       
CONECT   29   28   30   35   72                                       
CONECT   30   29   31   32   73                                       
CONECT   31   30   74                                                 
CONECT   32   30   34   33   75                                       
CONECT   33   32   76                                                 
CONECT   34   32   35   36   77                                       
CONECT   35   29   34                                                 
CONECT   36   34   37   44                                            
CONECT   37   36   38   38   78                                       
CONECT   38   37   37   39   79                                       
CONECT   39   38   40   45   80                                       
CONECT   40   39   44   44   41                                       
CONECT   41   40   43   43   42                                       
CONECT   42   41   81   82                                            
CONECT   43   41   41                                                 
CONECT   44   36   40   40   83                                       
CONECT   45   39   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   48   48   50                                       
CONECT   48   47   47   49   84                                       
CONECT   49   48   52   52   85                                       
CONECT   50   47   51   51   86                                       
CONECT   51   50   50   52   53                                       
CONECT   52   49   49   51                                            
CONECT   53   51   54   87   88                                       
CONECT   54   53   55   89   90                                       
CONECT   55   54   91   92   93                                       
CONECT   56    3                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   18                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   44                                                      
CONECT   84   48                                                      
CONECT   85   49                                                      
CONECT   86   50                                                      
CONECT   87   53                                                      
CONECT   88   53                                                      
CONECT   89   54                                                      
CONECT   90   54                                                      
CONECT   91   55                                                      
CONECT   92   55                                                      
CONECT   93   55                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
