COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -2.809   1.561   2.502  1.00  0.00           P  
HETATM    2  O   UNL     1      -3.450   0.945   3.845  1.00  0.00           O  
HETATM    3  O   UNL     1      -2.794   3.038   2.595  1.00  0.00           O  
HETATM    4  O   UNL     1      -3.692   1.113   1.232  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.045   1.528   1.039  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.584   0.925  -0.260  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.675  -0.504  -0.134  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.005   1.453  -0.533  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.049   2.152  -1.778  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.878   0.176  -0.598  1.00  0.00           C  
HETATM   11  O   UNL     1      -8.837   0.267  -1.653  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.826  -0.921  -0.899  1.00  0.00           C  
HETATM   13  N   UNL     1      -7.301  -2.230  -0.444  1.00  0.00           N  
HETATM   14  C   UNL     1      -7.025  -2.816   0.756  1.00  0.00           C  
HETATM   15  N   UNL     1      -7.608  -3.977   0.829  1.00  0.00           N  
HETATM   16  C   UNL     1      -8.294  -4.209  -0.316  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.090  -5.264  -0.794  1.00  0.00           C  
HETATM   18  N   UNL     1      -9.313  -6.390  -0.021  1.00  0.00           N  
HETATM   19  N   UNL     1      -9.626  -5.154  -2.006  1.00  0.00           N  
HETATM   20  C   UNL     1      -9.419  -4.083  -2.750  1.00  0.00           C  
HETATM   21  N   UNL     1      -8.681  -3.072  -2.344  1.00  0.00           N  
HETATM   22  C   UNL     1      -8.109  -3.089  -1.144  1.00  0.00           C  
HETATM   23  N   UNL     1       8.255  -2.398   0.942  1.00  0.00           N  
HETATM   24  C   UNL     1       8.633  -3.674   0.960  1.00  0.00           C  
HETATM   25  O   UNL     1       8.250  -4.370   1.884  1.00  0.00           O  
HETATM   26  N   UNL     1       9.409  -4.240   0.026  1.00  0.00           N  
HETATM   27  C   UNL     1       9.872  -3.530  -1.029  1.00  0.00           C  
HETATM   28  O   UNL     1      10.576  -4.041  -1.878  1.00  0.00           O  
HETATM   29  C   UNL     1       9.484  -2.104  -1.105  1.00  0.00           C  
HETATM   30  N   UNL     1       9.875  -1.325  -2.081  1.00  0.00           N  
HETATM   31  C   UNL     1       9.505  -0.039  -2.120  1.00  0.00           C  
HETATM   32  C   UNL     1       9.937   0.783  -3.180  1.00  0.00           C  
HETATM   33  C   UNL     1       9.562   2.091  -3.222  1.00  0.00           C  
HETATM   34  C   UNL     1      10.027   2.963  -4.359  1.00  0.00           C  
HETATM   35  C   UNL     1       8.753   2.632  -2.227  1.00  0.00           C  
HETATM   36  C   UNL     1       8.352   4.083  -2.297  1.00  0.00           C  
HETATM   37  C   UNL     1       8.316   1.854  -1.179  1.00  0.00           C  
HETATM   38  C   UNL     1       8.686   0.513  -1.109  1.00  0.00           C  
HETATM   39  N   UNL     1       8.250  -0.271  -0.061  1.00  0.00           N  
HETATM   40  C   UNL     1       8.629  -1.579  -0.027  1.00  0.00           C  
HETATM   41  C   UNL     1       7.400   0.291   0.992  1.00  0.00           C  
HETATM   42  C   UNL     1       5.930   0.127   0.601  1.00  0.00           C  
HETATM   43  O   UNL     1       5.684   0.815  -0.627  1.00  0.00           O  
HETATM   44  C   UNL     1       5.042   0.714   1.701  1.00  0.00           C  
HETATM   45  O   UNL     1       5.288   0.026   2.929  1.00  0.00           O  
HETATM   46  C   UNL     1       3.572   0.551   1.310  1.00  0.00           C  
HETATM   47  O   UNL     1       3.326   1.238   0.082  1.00  0.00           O  
HETATM   48  C   UNL     1       2.684   1.137   2.409  1.00  0.00           C  
HETATM   49  O   UNL     1       1.312   0.882   2.101  1.00  0.00           O  
HETATM   50  P   UNL     1       0.098   1.359   3.044  1.00  0.00           P  
HETATM   51  O   UNL     1       0.194   2.818   3.271  1.00  0.00           O  
HETATM   52  O   UNL     1       0.180   0.589   4.456  1.00  0.00           O  
HETATM   53  O   UNL     1      -1.304   1.019   2.328  1.00  0.00           O  
HETATM   54  O   UNL     1      -6.772   4.536  -0.994  1.00  0.00           O  
HETATM   55  O   UNL     1      -7.345   4.179  -3.426  1.00  0.00           O  
HETATM   56  O   UNL     1      -9.114   3.760  -1.528  1.00  0.00           O  
HETATM   57  P   UNL     1      -7.553   3.676  -1.911  1.00  0.00           P  
HETATM   58  H   UNL     1      -3.492  -0.021   3.853  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.653   1.188   1.877  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.086   2.616   0.979  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.925   1.183  -1.089  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.335   2.100   0.281  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.370  -0.008   0.358  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.408  -0.510  -1.734  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.591  -0.946  -1.963  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.413  -2.380   1.532  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.917  -6.458   0.861  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.865  -7.111  -0.363  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.873  -4.035  -3.729  1.00  0.00           H  
HETATM   70  H   UNL     1       9.644  -5.178   0.107  1.00  0.00           H  
HETATM   71  H   UNL     1      10.565   0.375  -3.958  1.00  0.00           H  
HETATM   72  H   UNL     1       9.303   2.917  -5.173  1.00  0.00           H  
HETATM   73  H   UNL     1      10.119   3.993  -4.014  1.00  0.00           H  
HETATM   74  H   UNL     1      10.996   2.611  -4.714  1.00  0.00           H  
HETATM   75  H   UNL     1       7.420   4.175  -2.853  1.00  0.00           H  
HETATM   76  H   UNL     1       8.214   4.471  -1.288  1.00  0.00           H  
HETATM   77  H   UNL     1       9.134   4.652  -2.801  1.00  0.00           H  
HETATM   78  H   UNL     1       7.689   2.283  -0.411  1.00  0.00           H  
HETATM   79  H   UNL     1       7.587  -0.234   1.928  1.00  0.00           H  
HETATM   80  H   UNL     1       7.627   1.349   1.116  1.00  0.00           H  
HETATM   81  H   UNL     1       5.702  -0.931   0.477  1.00  0.00           H  
HETATM   82  H   UNL     1       5.865   1.764  -0.590  1.00  0.00           H  
HETATM   83  H   UNL     1       5.269   1.773   1.825  1.00  0.00           H  
HETATM   84  H   UNL     1       5.106  -0.923   2.891  1.00  0.00           H  
HETATM   85  H   UNL     1       3.344  -0.508   1.186  1.00  0.00           H  
HETATM   86  H   UNL     1       3.507   2.187   0.119  1.00  0.00           H  
HETATM   87  H   UNL     1       2.934   0.674   3.364  1.00  0.00           H  
HETATM   88  H   UNL     1       2.847   2.213   2.473  1.00  0.00           H  
HETATM   89  H   UNL     1       0.123  -0.373   4.383  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.628   5.091  -3.580  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.687   3.220  -2.089  1.00  0.00           H  
CONECT    1    4    3    3    2                                       
CONECT    1   53                                                      
CONECT    2    1   58                                                 
CONECT    3    1    1                                                 
CONECT    4    5    1                                                 
CONECT    5    6    4   59   60                                       
CONECT    6    8    5    7   61                                       
CONECT    7    6   12                                                 
CONECT    8    9   10    6   62                                       
CONECT    9   57    8                                                 
CONECT   10   11    8   12   63                                       
CONECT   11   10   64                                                 
CONECT   12   10    7   13   65                                       
CONECT   13   12   22   14                                            
CONECT   14   13   15   15   66                                       
CONECT   15   14   14   16                                            
CONECT   16   22   22   15   17                                       
CONECT   17   19   19   16   18                                       
CONECT   18   17   67   68                                            
CONECT   19   20   17   17                                            
CONECT   20   21   21   19   69                                       
CONECT   21   20   20   22                                            
CONECT   22   21   13   16   16                                       
CONECT   23   24   40   40                                            
CONECT   24   25   25   26   23                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   70                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   30   40                                       
CONECT   30   29   29   31                                            
CONECT   31   38   38   32   30                                       
CONECT   32   31   33   33   71                                       
CONECT   33   32   32   35   34                                       
CONECT   34   33   72   73   74                                       
CONECT   35   37   37   33   36                                       
CONECT   36   35   75   76   77                                       
CONECT   37   38   35   35   78                                       
CONECT   38   31   31   37   39                                       
CONECT   39   40   41   38                                            
CONECT   40   23   23   39   29                                       
CONECT   41   39   42   79   80                                       
CONECT   42   41   44   43   81                                       
CONECT   43   42   82                                                 
CONECT   44   46   42   45   83                                       
CONECT   45   44   84                                                 
CONECT   46   47   48   44   85                                       
CONECT   47   46   86                                                 
CONECT   48   49   46   87   88                                       
CONECT   49   50   48                                                 
CONECT   50   51   51   53   49                                       
CONECT   50   52                                                      
CONECT   51   50   50                                                 
CONECT   52   50   89                                                 
CONECT   53    1   50                                                 
CONECT   54   57   57                                                 
CONECT   55   57   90                                                 
CONECT   56   57   91                                                 
CONECT   57   54   54   56    9                                       
CONECT   57   55                                                      
CONECT   58    2                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    8                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   14                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   26                                                      
CONECT   71   32                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
CONECT   87   48                                                      
CONECT   88   48                                                      
CONECT   89   52                                                      
CONECT   90   55                                                      
CONECT   91   56                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
