COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       5.001  -3.487   1.327  1.00  0.00           P  
HETATM    2  O   UNL     1       2.153   1.713   0.488  1.00  0.00           O  
HETATM    3  O   UNL     1       4.717  -1.064  -1.386  1.00  0.00           O  
HETATM    4  O   UNL     1       3.945  -2.298   1.076  1.00  0.00           O  
HETATM    5  C   UNL     1       3.562   1.843   0.692  1.00  0.00           C  
HETATM    6  C   UNL     1       4.309   1.121  -0.433  1.00  0.00           C  
HETATM    7  C   UNL     1       3.967  -0.371  -0.386  1.00  0.00           C  
HETATM    8  C   UNL     1       4.326  -0.923   0.997  1.00  0.00           C  
HETATM    9  C   UNL     1       3.579  -0.122   2.067  1.00  0.00           C  
HETATM   10  C   UNL     1       3.978  -0.628   3.454  1.00  0.00           C  
HETATM   11  O   UNL     1       3.917   1.261   1.948  1.00  0.00           O  
HETATM   12  O   UNL     1       3.195   0.038   4.447  1.00  0.00           O  
HETATM   13  N   UNL     1       3.901   1.676  -1.726  1.00  0.00           N  
HETATM   14  C   UNL     1       4.533   2.757  -2.225  1.00  0.00           C  
HETATM   15  O   UNL     1       5.440   3.270  -1.603  1.00  0.00           O  
HETATM   16  C   UNL     1       4.114   3.328  -3.555  1.00  0.00           C  
HETATM   17  P   UNL     1      -1.862   2.748   1.202  1.00  0.00           P  
HETATM   18  P   UNL     1       1.092   2.824   0.971  1.00  0.00           P  
HETATM   19  O   UNL     1      -1.975   4.221   1.118  1.00  0.00           O  
HETATM   20  O   UNL     1       1.268   3.079   2.418  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.271  -0.435  -0.984  1.00  0.00           C  
HETATM   22  C   UNL     1       4.930  -1.388  -3.753  1.00  0.00           C  
HETATM   23  O   UNL     1       6.122  -1.308  -3.569  1.00  0.00           O  
HETATM   24  N   UNL     1      -6.656  -1.704  -0.362  1.00  0.00           N  
HETATM   25  O   UNL     1      -2.072   2.279   2.728  1.00  0.00           O  
HETATM   26  O   UNL     1       1.334   4.189   0.152  1.00  0.00           O  
HETATM   27  C   UNL     1      -7.405   0.604  -0.833  1.00  0.00           C  
HETATM   28  O   UNL     1      -8.184   0.671  -2.029  1.00  0.00           O  
HETATM   29  C   UNL     1       3.982  -1.331  -2.582  1.00  0.00           C  
HETATM   30  O   UNL     1       4.451  -1.528  -4.998  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.752  -2.814  -1.117  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.517  -2.751  -2.308  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.403   2.292   0.697  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.662   1.938  -0.595  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.961   2.869  -1.637  1.00  0.00           O  
HETATM   36  C   UNL     1       3.257  -2.672  -2.448  1.00  0.00           C  
HETATM   37  N   UNL     1      -7.104  -3.993  -0.571  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.168   1.547  -0.630  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.145   0.144  -0.289  1.00  0.00           O  
HETATM   40  C   UNL     1      -7.367  -4.080   0.748  1.00  0.00           C  
HETATM   41  O   UNL     1      -7.686  -5.147   1.243  1.00  0.00           O  
HETATM   42  C   UNL     1      -4.381   2.359   0.401  1.00  0.00           C  
HETATM   43  O   UNL     1      -2.988   2.069   0.273  1.00  0.00           O  
HETATM   44  C   UNL     1      -7.270  -2.920   1.554  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.910  -1.751   0.982  1.00  0.00           C  
HETATM   46  O   UNL     1       4.211  -4.881   1.488  1.00  0.00           O  
HETATM   47  O   UNL     1       6.009  -3.583   0.075  1.00  0.00           O  
HETATM   48  O   UNL     1       5.772  -3.211   2.560  1.00  0.00           O  
HETATM   49  H   UNL     1       3.834   2.898   0.690  1.00  0.00           H  
HETATM   50  H   UNL     1       5.382   1.254  -0.301  1.00  0.00           H  
HETATM   51  H   UNL     1       2.902  -0.508  -0.569  1.00  0.00           H  
HETATM   52  H   UNL     1       5.400  -0.832   1.158  1.00  0.00           H  
HETATM   53  H   UNL     1       2.505  -0.247   1.929  1.00  0.00           H  
HETATM   54  H   UNL     1       3.803  -1.702   3.514  1.00  0.00           H  
HETATM   55  H   UNL     1       5.035  -0.422   3.626  1.00  0.00           H  
HETATM   56  H   UNL     1       3.395  -0.234   5.353  1.00  0.00           H  
HETATM   57  H   UNL     1       3.176   1.266  -2.223  1.00  0.00           H  
HETATM   58  H   UNL     1       3.340   4.079  -3.400  1.00  0.00           H  
HETATM   59  H   UNL     1       4.975   3.788  -4.040  1.00  0.00           H  
HETATM   60  H   UNL     1       3.725   2.530  -4.187  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.031  -0.585  -2.036  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.011   1.323   2.858  1.00  0.00           H  
HETATM   63  H   UNL     1       1.235   4.096  -0.805  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.036   0.358   0.020  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.910   1.308  -1.990  1.00  0.00           H  
HETATM   66  H   UNL     1       3.252  -0.539  -2.745  1.00  0.00           H  
HETATM   67  H   UNL     1       5.098  -1.559  -5.717  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.928   2.354   0.376  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.897   3.103  -1.699  1.00  0.00           H  
HETATM   70  H   UNL     1       3.979  -3.452  -2.206  1.00  0.00           H  
HETATM   71  H   UNL     1       2.515  -2.606  -1.653  1.00  0.00           H  
HETATM   72  H   UNL     1       2.763  -2.914  -3.388  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.169  -4.784  -1.130  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.758   1.703  -1.628  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.548   3.423   0.230  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.717   2.096   1.404  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.477  -2.970   2.613  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.830  -0.856   1.581  1.00  0.00           H  
HETATM   79  H   UNL     1       4.786  -5.643   1.642  1.00  0.00           H  
HETATM   80  H   UNL     1       5.582  -3.842  -0.754  1.00  0.00           H  
CONECT    1    4   48   48   46                                       
CONECT    1   47                                                      
CONECT    2   18    5                                                 
CONECT    3   29    7                                                 
CONECT    4    8    1                                                 
CONECT    5    6    2   11   49                                       
CONECT    6   13    5    7   50                                       
CONECT    7    6    3    8   51                                       
CONECT    8    7    9    4   52                                       
CONECT    9   11    8   10   53                                       
CONECT   10    9   12   54   55                                       
CONECT   11    5    9                                                 
CONECT   12   10   56                                                 
CONECT   13   14    6   57                                            
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   14   58   59   60                                       
CONECT   17   19   19   25   43                                       
CONECT   17   33                                                      
CONECT   18   33    2   20   20                                       
CONECT   18   26                                                      
CONECT   19   17   17                                                 
CONECT   20   18   18                                                 
CONECT   21   24   39   27   61                                       
CONECT   22   23   23   30   29                                       
CONECT   23   22   22                                                 
CONECT   24   31   45   21                                            
CONECT   25   17   62                                                 
CONECT   26   18   63                                                 
CONECT   27   21   28   34   64                                       
CONECT   28   27   65                                                 
CONECT   29   22    3   36   66                                       
CONECT   30   22   67                                                 
CONECT   31   37   32   32   24                                       
CONECT   32   31   31                                                 
CONECT   33   17   18                                                 
CONECT   34   27   38   35   68                                       
CONECT   35   34   69                                                 
CONECT   36   29   70   71   72                                       
CONECT   37   40   31   73                                            
CONECT   38   39   42   34   74                                       
CONECT   39   21   38                                                 
CONECT   40   41   41   37   44                                       
CONECT   41   40   40                                                 
CONECT   42   43   38   75   76                                       
CONECT   43   17   42                                                 
CONECT   44   40   45   45   77                                       
CONECT   45   44   44   24   78                                       
CONECT   46    1   79                                                 
CONECT   47    1   80                                                 
CONECT   48    1    1                                                 
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   21                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   44                                                      
CONECT   78   45                                                      
CONECT   79   46                                                      
CONECT   80   47                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
