COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       2.972  -4.962  -0.221  1.00  0.00           P  
HETATM    2  O   UNL     1       2.238  -4.831   1.058  1.00  0.00           O  
HETATM    3  O   UNL     1       4.214  -5.968  -0.026  1.00  0.00           O  
HETATM    4  O   UNL     1       1.983  -5.542  -1.351  1.00  0.00           O  
HETATM    5  O   UNL     1       3.518  -3.517  -0.676  1.00  0.00           O  
HETATM    6  C   UNL     1       4.336  -2.696   0.160  1.00  0.00           C  
HETATM    7  C   UNL     1       4.675  -1.398  -0.576  1.00  0.00           C  
HETATM    8  O   UNL     1       3.488  -0.602  -0.776  1.00  0.00           O  
HETATM    9  C   UNL     1       5.574  -0.491   0.303  1.00  0.00           C  
HETATM   10  O   UNL     1       6.953  -0.828   0.140  1.00  0.00           O  
HETATM   11  C   UNL     1       5.277   0.915  -0.271  1.00  0.00           C  
HETATM   12  C   UNL     1       3.921   0.753  -0.984  1.00  0.00           C  
HETATM   13  N   UNL     1       2.943   1.682  -0.412  1.00  0.00           N  
HETATM   14  C   UNL     1       2.053   1.405   0.584  1.00  0.00           C  
HETATM   15  N   UNL     1       1.338   2.460   0.844  1.00  0.00           N1+
HETATM   16  C   UNL     1       1.725   3.474   0.032  1.00  0.00           C  
HETATM   17  C   UNL     1       1.313   4.818  -0.130  1.00  0.00           C  
HETATM   18  O   UNL     1       0.420   5.285   0.556  1.00  0.00           O  
HETATM   19  N   UNL     1       1.936   5.572  -1.063  1.00  0.00           N  
HETATM   20  C   UNL     1       2.934   5.040  -1.824  1.00  0.00           C  
HETATM   21  N   UNL     1       3.548   5.829  -2.764  1.00  0.00           N  
HETATM   22  N   UNL     1       3.325   3.793  -1.683  1.00  0.00           N  
HETATM   23  C   UNL     1       2.759   2.989  -0.776  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.165  -0.390  -1.428  1.00  0.00           C  
HETATM   25  O   UNL     1      -8.051   0.401  -1.674  1.00  0.00           O  
HETATM   26  C   UNL     1      -7.133  -1.848  -1.837  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.806  -2.395  -1.280  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.147  -1.249  -0.586  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.921  -1.163   0.099  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.995  -2.219   0.112  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.293  -3.395  -0.495  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.303  -4.423  -0.440  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.781  -2.056   0.744  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.471  -0.851   1.384  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.330  -0.491   2.031  1.00  0.00           O  
HETATM   36  C   UNL     1      -0.599   0.623   2.896  1.00  0.00           C  
HETATM   37  O   UNL     1       0.493   1.543   2.855  1.00  0.00           O  
HETATM   38  C   UNL     1       0.280   2.540   1.854  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.086   2.276   1.199  1.00  0.00           C  
HETATM   40  O   UNL     1      -1.820   3.494   1.063  1.00  0.00           O  
HETATM   41  C   UNL     1      -1.793   1.324   2.187  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.407   0.176   1.410  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.637   0.039   0.794  1.00  0.00           C  
HETATM   44  O   UNL     1      -4.555   1.029   0.893  1.00  0.00           O  
HETATM   45  C   UNL     1      -5.484   1.156  -0.089  1.00  0.00           C  
HETATM   46  O   UNL     1      -5.904   2.241  -0.447  1.00  0.00           O  
HETATM   47  C   UNL     1      -5.950  -0.105  -0.698  1.00  0.00           C  
HETATM   48  H   UNL     1       4.741  -6.101  -0.826  1.00  0.00           H  
HETATM   49  H   UNL     1       1.615  -6.412  -1.143  1.00  0.00           H  
HETATM   50  H   UNL     1       3.798  -2.463   1.079  1.00  0.00           H  
HETATM   51  H   UNL     1       5.256  -3.227   0.403  1.00  0.00           H  
HETATM   52  H   UNL     1       5.159  -1.613  -1.528  1.00  0.00           H  
HETATM   53  H   UNL     1       5.282  -0.553   1.352  1.00  0.00           H  
HETATM   54  H   UNL     1       7.555  -0.288   0.670  1.00  0.00           H  
HETATM   55  H   UNL     1       5.201   1.648   0.532  1.00  0.00           H  
HETATM   56  H   UNL     1       6.049   1.207  -0.983  1.00  0.00           H  
HETATM   57  H   UNL     1       4.037   0.945  -2.051  1.00  0.00           H  
HETATM   58  H   UNL     1       1.957   0.452   1.083  1.00  0.00           H  
HETATM   59  H   UNL     1       1.671   6.496  -1.192  1.00  0.00           H  
HETATM   60  H   UNL     1       3.270   6.751  -2.879  1.00  0.00           H  
HETATM   61  H   UNL     1       4.260   5.464  -3.313  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.976  -2.382  -1.399  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.153  -1.936  -2.924  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.000  -3.202  -0.573  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.176  -2.753  -2.095  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.388  -4.071  -0.917  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.097  -4.674   0.600  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.668  -5.307  -0.963  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.063  -2.863   0.745  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.836   0.309   3.913  1.00  0.00           H  
HETATM   71  H   UNL     1       0.284   3.529   2.313  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.958   1.798   0.228  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.389   4.154   0.502  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.480   1.828   2.867  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1    5                                                      
CONECT    2    1    1                                                 
CONECT    3    1   48                                                 
CONECT    4    1   49                                                 
CONECT    5    1    6                                                 
CONECT    6    5    7   50   51                                       
CONECT    7    6    8    9   52                                       
CONECT    8    7   12                                                 
CONECT    9    7   10   11   53                                       
CONECT   10    9   54                                                 
CONECT   11    9   12   55   56                                       
CONECT   12    8   11   13   57                                       
CONECT   13   12   14   23                                            
CONECT   14   13   15   15   58                                       
CONECT   15   14   14   16   38                                       
CONECT   16   15   17   23   23                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   59                                            
CONECT   20   19   21   22   22                                       
CONECT   21   20   60   61                                            
CONECT   22   20   20   23                                            
CONECT   23   13   16   16   22                                       
CONECT   24   25   25   26   47                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   62   63                                       
CONECT   27   26   28   64   65                                       
CONECT   28   27   29   47   47                                       
CONECT   29   28   30   43   43                                       
CONECT   30   29   31   33   33                                       
CONECT   31   30   32                                                 
CONECT   32   31   66   67   68                                       
CONECT   33   30   30   34   69                                       
CONECT   34   33   35   42   42                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   41   70                                       
CONECT   37   36   38                                                 
CONECT   38   15   37   39   71                                       
CONECT   39   38   40   41   72                                       
CONECT   40   39   73                                                 
CONECT   41   36   39   42   74                                       
CONECT   42   34   34   41   43                                       
CONECT   43   29   29   42   44                                       
CONECT   44   43   45                                                 
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   24   28   28   45                                       
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   36                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
