COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.966  -4.349  -1.493  1.00  0.00           O  
HETATM    2  P   UNL     1      -2.207  -2.535   0.901  1.00  0.00           P  
HETATM    3  O   UNL     1      -3.057  -3.719   0.218  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.930  -2.878   2.313  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.195   0.225   2.508  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.547   0.687   2.657  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.282  -0.975   1.531  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.048  -1.164   0.836  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.399  -0.489   0.567  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.320   0.313   1.511  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.808   1.514   0.828  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.251   2.759   0.888  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.942   3.586   0.160  1.00  0.00           N  
HETATM   14  C   UNL     1      -7.980   2.925  -0.409  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.033   3.302  -1.274  1.00  0.00           C  
HETATM   16  O   UNL     1      -9.137   4.452  -1.667  1.00  0.00           O  
HETATM   17  N   UNL     1      -9.920   2.357  -1.656  1.00  0.00           N  
HETATM   18  C   UNL     1      -9.794   1.075  -1.211  1.00  0.00           C  
HETATM   19  N   UNL     1     -10.710   0.136  -1.614  1.00  0.00           N  
HETATM   20  N   UNL     1      -8.820   0.712  -0.406  1.00  0.00           N  
HETATM   21  C   UNL     1      -7.901   1.591   0.008  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.096  -1.598  -0.003  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.790  -2.346   0.096  1.00  0.00           N  
HETATM   24  C   UNL     1       0.352  -2.970   0.370  1.00  0.00           C  
HETATM   25  N   UNL     1       0.544  -3.890   1.383  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.582  -1.527  -0.970  1.00  0.00           C  
HETATM   27  C   UNL     1       0.705  -1.660  -1.336  1.00  0.00           C  
HETATM   28  N   UNL     1       1.277  -2.563  -0.494  1.00  0.00           N1+
HETATM   29  P   UNL     1       2.839  -3.061  -0.536  1.00  0.00           P  
HETATM   30  O   UNL     1       3.280  -3.417   0.831  1.00  0.00           O  
HETATM   31  O   UNL     1       3.766  -1.875  -1.107  1.00  0.00           O  
HETATM   32  C   UNL     1       5.191  -1.961  -1.169  1.00  0.00           C  
HETATM   33  C   UNL     1       5.838  -0.838  -0.328  1.00  0.00           C  
HETATM   34  O   UNL     1       6.703  -1.392   0.666  1.00  0.00           O  
HETATM   35  C   UNL     1       5.688  -1.688  -2.605  1.00  0.00           C  
HETATM   36  O   UNL     1       6.009  -0.280  -2.624  1.00  0.00           O  
HETATM   37  C   UNL     1       6.650  -0.020  -1.356  1.00  0.00           C  
HETATM   38  N   UNL     1       6.586   1.408  -1.036  1.00  0.00           N  
HETATM   39  C   UNL     1       7.392   2.078  -0.155  1.00  0.00           C  
HETATM   40  N   UNL     1       8.407   1.718   0.639  1.00  0.00           N  
HETATM   41  C   UNL     1       9.016   2.596   1.403  1.00  0.00           C  
HETATM   42  N   UNL     1      10.053   2.181   2.200  1.00  0.00           N  
HETATM   43  N   UNL     1       8.649   3.909   1.426  1.00  0.00           N  
HETATM   44  C   UNL     1       7.632   4.346   0.651  1.00  0.00           C  
HETATM   45  O   UNL     1       7.296   5.518   0.664  1.00  0.00           O  
HETATM   46  C   UNL     1       6.967   3.411  -0.176  1.00  0.00           C  
HETATM   47  N   UNL     1       5.939   3.491  -1.055  1.00  0.00           N  
HETATM   48  C   UNL     1       5.715   2.316  -1.566  1.00  0.00           C  
HETATM   49  H   UNL     1       2.693  -4.189  -2.407  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.276  -3.562  -0.711  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.570   1.012   2.086  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.797  -0.097   3.470  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.581  -1.885   2.052  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.986   0.151  -0.213  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.163  -0.306   1.819  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.369   3.018   1.455  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.651   2.592  -2.249  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.434   0.389  -2.208  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.633  -0.780  -1.306  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.538  -2.183  -0.534  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.192  -4.129   1.968  1.00  0.00           H  
HETATM   62  H   UNL     1       1.416  -4.297   1.509  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.315  -0.887  -1.437  1.00  0.00           H  
HETATM   64  H   UNL     1       1.194  -1.147  -2.151  1.00  0.00           H  
HETATM   65  H   UNL     1       5.529  -2.939  -0.825  1.00  0.00           H  
HETATM   66  H   UNL     1       5.071  -0.217   0.135  1.00  0.00           H  
HETATM   67  H   UNL     1       6.254  -1.965   1.303  1.00  0.00           H  
HETATM   68  H   UNL     1       6.576  -2.283  -2.819  1.00  0.00           H  
HETATM   69  H   UNL     1       4.901  -1.907  -3.327  1.00  0.00           H  
HETATM   70  H   UNL     1       7.686  -0.358  -1.378  1.00  0.00           H  
HETATM   71  H   UNL     1      10.326   1.250   2.195  1.00  0.00           H  
HETATM   72  H   UNL     1      10.512   2.818   2.770  1.00  0.00           H  
HETATM   73  H   UNL     1       9.119   4.532   2.002  1.00  0.00           H  
HETATM   74  H   UNL     1       4.951   2.091  -2.296  1.00  0.00           H  
CONECT    1   29   49                                                 
CONECT    2   23    4    4    3                                       
CONECT    2    8                                                      
CONECT    3    2   50                                                 
CONECT    4    2    2                                                 
CONECT    5    7    6   51   52                                       
CONECT    6    5   10                                                 
CONECT    7    8    5    9   53                                       
CONECT    8    2    7                                                 
CONECT    9    7   22   10   54                                       
CONECT   10    9    6   11   55                                       
CONECT   11   12   10   21                                            
CONECT   12   13   13   11   56                                       
CONECT   13   12   12   14                                            
CONECT   14   13   21   21   15                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   57                                            
CONECT   18   20   20   17   19                                       
CONECT   19   18   58   59                                            
CONECT   20   21   18   18                                            
CONECT   21   11   14   14   20                                       
CONECT   22    9   60                                                 
CONECT   23   24   26    2                                            
CONECT   24   28   28   25   23                                       
CONECT   25   24   61   62                                            
CONECT   26   27   27   23   63                                       
CONECT   27   28   26   26   64                                       
CONECT   28   29   27   24   24                                       
CONECT   29   30   30   28    1                                       
CONECT   29   31                                                      
CONECT   30   29   29                                                 
CONECT   31   29   32                                                 
CONECT   32   31   33   35   65                                       
CONECT   33   32   34   37   66                                       
CONECT   34   33   67                                                 
CONECT   35   32   36   68   69                                       
CONECT   36   35   37                                                 
CONECT   37   33   38   36   70                                       
CONECT   38   48   37   39                                            
CONECT   39   38   46   46   40                                       
CONECT   40   39   41   41                                            
CONECT   41   40   40   43   42                                       
CONECT   42   41   71   72                                            
CONECT   43   44   41   73                                            
CONECT   44   46   45   45   43                                       
CONECT   45   44   44                                                 
CONECT   46   47   39   39   44                                       
CONECT   47   48   48   46                                            
CONECT   48   47   47   38   74                                       
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   22                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   37                                                      
CONECT   71   42                                                      
CONECT   72   42                                                      
CONECT   73   43                                                      
CONECT   74   48                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
