COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -0.420   0.018   0.501  1.00  0.00           P  
HETATM    2  O   UNL     1      -1.964   0.226   0.094  1.00  0.00           O  
HETATM    3  O   UNL     1       0.257   1.333   0.549  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.336  -0.681   1.948  1.00  0.00           O  
HETATM    5  P   UNL     1       0.179  -0.160  -2.006  1.00  0.00           P  
HETATM    6  O   UNL     1      -1.374   0.050  -2.371  1.00  0.00           O  
HETATM    7  O   UNL     1       0.848   1.156  -1.920  1.00  0.00           O  
HETATM    8  O   UNL     1       0.300  -0.918  -0.591  1.00  0.00           O  
HETATM    9  P   UNL     1      -3.850   1.427   5.159  1.00  0.00           P  
HETATM   10  O   UNL     1      -5.396   1.074   5.439  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.427   2.713   6.030  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.665   1.724   3.720  1.00  0.00           O  
HETATM   13  N   UNL     1       1.654  -0.347   6.741  1.00  0.00           N  
HETATM   14  C   UNL     1       2.133  -0.802   7.943  1.00  0.00           C  
HETATM   15  N   UNL     1       1.666  -1.600   8.898  1.00  0.00           N  
HETATM   16  C   UNL     1       2.385  -1.856   9.970  1.00  0.00           C  
HETATM   17  N   UNL     1       3.588  -1.343  10.155  1.00  0.00           N  
HETATM   18  C   UNL     1       4.137  -0.534   9.255  1.00  0.00           C  
HETATM   19  N   UNL     1       5.399  -0.001   9.458  1.00  0.00           N  
HETATM   20  C   UNL     1       3.405  -0.226   8.096  1.00  0.00           C  
HETATM   21  N   UNL     1       3.637   0.528   6.995  1.00  0.00           N  
HETATM   22  C   UNL     1       2.609   0.461   6.200  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.990   0.193   2.869  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.945  -0.416   4.272  1.00  0.00           C  
HETATM   25  O   UNL     1       0.422  -0.575   4.707  1.00  0.00           O  
HETATM   26  C   UNL     1       0.354  -0.671   6.147  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.703   0.374   6.565  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.490  -0.109   7.655  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.577   0.546   5.300  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.930   0.173   5.571  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.133  -1.543  -6.508  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.482  -0.791  -5.481  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.003  -1.178  -5.425  1.00  0.00           C  
HETATM   34  O   UNL     1       0.645  -0.869  -6.680  1.00  0.00           O  
HETATM   35  C   UNL     1       2.055  -0.796  -6.374  1.00  0.00           C  
HETATM   36  C   UNL     1       2.126  -0.067  -5.015  1.00  0.00           C  
HETATM   37  C   UNL     1       0.743  -0.324  -4.377  1.00  0.00           C  
HETATM   38  O   UNL     1       0.883  -1.046  -3.151  1.00  0.00           O  
HETATM   39  P   UNL     1      -3.677  -1.088  -6.511  1.00  0.00           P  
HETATM   40  O   UNL     1      -4.474  -1.900  -7.649  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.331  -1.399  -5.073  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.763   0.362  -6.788  1.00  0.00           O  
HETATM   43  N   UNL     1       2.763  -0.030  -7.402  1.00  0.00           N  
HETATM   44  C   UNL     1       3.825  -0.594  -8.057  1.00  0.00           C  
HETATM   45  C   UNL     1       2.361   1.218  -7.698  1.00  0.00           C  
HETATM   46  O   UNL     1       1.416   1.700  -7.104  1.00  0.00           O  
HETATM   47  N   UNL     1       2.997   1.946  -8.635  1.00  0.00           N  
HETATM   48  C   UNL     1       4.047   1.427  -9.302  1.00  0.00           C  
HETATM   49  O   UNL     1       4.620   2.083 -10.154  1.00  0.00           O  
HETATM   50  C   UNL     1       4.477   0.111  -9.005  1.00  0.00           C  
HETATM   51  H   UNL     1      -2.369  -0.651   0.075  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.772  -0.830  -2.417  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.912   1.849   5.179  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.563   2.478   6.959  1.00  0.00           H  
HETATM   55  H   UNL     1       1.977  -2.509  10.727  1.00  0.00           H  
HETATM   56  H   UNL     1       5.893  -0.218  10.265  1.00  0.00           H  
HETATM   57  H   UNL     1       5.790   0.584   8.792  1.00  0.00           H  
HETATM   58  H   UNL     1       2.524   0.971   5.252  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.028   0.330   2.566  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.482   1.158   2.876  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.461  -1.376   4.284  1.00  0.00           H  
HETATM   62  H   UNL     1       0.040  -1.670   6.446  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.223   1.316   6.829  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.894  -0.197   8.412  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.531   1.574   4.940  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.951  -1.006  -4.521  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.572   0.272  -5.699  1.00  0.00           H  
HETATM   68  H   UNL     1       0.102  -2.238  -5.194  1.00  0.00           H  
HETATM   69  H   UNL     1       2.477  -1.798  -6.290  1.00  0.00           H  
HETATM   70  H   UNL     1       2.286   1.001  -5.163  1.00  0.00           H  
HETATM   71  H   UNL     1       2.917  -0.490  -4.395  1.00  0.00           H  
HETATM   72  H   UNL     1       0.219   0.616  -4.207  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.392  -1.599  -7.617  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.255  -2.353  -4.931  1.00  0.00           H  
HETATM   75  H   UNL     1       4.139  -1.599  -7.816  1.00  0.00           H  
HETATM   76  H   UNL     1       2.696   2.847  -8.833  1.00  0.00           H  
HETATM   77  H   UNL     1       5.317  -0.321  -9.529  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    1    8                                                      
CONECT    2    1   51                                                 
CONECT    3    1    1                                                 
CONECT    4    1   23                                                 
CONECT    5    6    7    7    8                                       
CONECT    5   38                                                      
CONECT    6    5   52                                                 
CONECT    7    5    5                                                 
CONECT    8    1    5                                                 
CONECT    9   10   11   12   12                                       
CONECT    9   30                                                      
CONECT   10    9   53                                                 
CONECT   11    9   54                                                 
CONECT   12    9    9                                                 
CONECT   13   14   22   26                                            
CONECT   14   13   15   20   20                                       
CONECT   15   14   16   16                                            
CONECT   16   15   15   17   55                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17   19   20                                       
CONECT   19   18   56   57                                            
CONECT   20   14   14   18   21                                       
CONECT   21   20   22   22                                            
CONECT   22   13   21   21   58                                       
CONECT   23    4   24   59   60                                       
CONECT   24   23   25   29   61                                       
CONECT   25   24   26                                                 
CONECT   26   13   25   27   62                                       
CONECT   27   26   28   29   63                                       
CONECT   28   27   64                                                 
CONECT   29   24   27   30   65                                       
CONECT   30    9   29                                                 
CONECT   31   32   39                                                 
CONECT   32   31   33   66   67                                       
CONECT   33   32   34   37   68                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   43   69                                       
CONECT   36   35   37   70   71                                       
CONECT   37   33   36   38   72                                       
CONECT   38    5   37                                                 
CONECT   39   31   40   41   42                                       
CONECT   39   42                                                      
CONECT   40   39   73                                                 
CONECT   41   39   74                                                 
CONECT   42   39   39                                                 
CONECT   43   35   44   45                                            
CONECT   44   43   50   50   75                                       
CONECT   45   43   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   48   76                                            
CONECT   48   47   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   44   44   48   77                                       
CONECT   51    2                                                      
CONECT   52    6                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   16                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   44                                                      
CONECT   76   47                                                      
CONECT   77   50                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
