COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       2.398   0.575  -2.273  1.00  0.00           P  
HETATM    2  O   UNL     1       3.089  -0.077  -3.408  1.00  0.00           O  
HETATM    3  O   UNL     1       1.546   1.830  -2.812  1.00  0.00           O  
HETATM    4  O   UNL     1       3.488   1.086  -1.203  1.00  0.00           O  
HETATM    5  C   UNL     1       4.571   1.952  -1.549  1.00  0.00           C  
HETATM    6  C   UNL     1       5.412   2.239  -0.303  1.00  0.00           C  
HETATM    7  O   UNL     1       6.059   1.034   0.138  1.00  0.00           O  
HETATM    8  C   UNL     1       6.519   3.256  -0.641  1.00  0.00           C  
HETATM    9  O   UNL     1       6.380   4.431   0.160  1.00  0.00           O  
HETATM   10  C   UNL     1       7.833   2.516  -0.295  1.00  0.00           C  
HETATM   11  O   UNL     1       8.759   3.394   0.349  1.00  0.00           O  
HETATM   12  C   UNL     1       7.340   1.418   0.682  1.00  0.00           C  
HETATM   13  N   UNL     1       8.262   0.279   0.687  1.00  0.00           N  
HETATM   14  C   UNL     1       8.191  -0.819  -0.118  1.00  0.00           C  
HETATM   15  N   UNL     1       9.169  -1.633   0.154  1.00  0.00           N  
HETATM   16  C   UNL     1       9.927  -1.111   1.148  1.00  0.00           C  
HETATM   17  C   UNL     1      11.080  -1.528   1.835  1.00  0.00           C  
HETATM   18  N   UNL     1      11.688  -2.733   1.531  1.00  0.00           N  
HETATM   19  N   UNL     1      11.571  -0.739   2.784  1.00  0.00           N  
HETATM   20  C   UNL     1      10.998   0.413   3.082  1.00  0.00           C  
HETATM   21  N   UNL     1       9.918   0.844   2.465  1.00  0.00           N  
HETATM   22  C   UNL     1       9.358   0.125   1.497  1.00  0.00           C  
HETATM   23  O   UNL     1       1.409  -0.481  -1.567  1.00  0.00           O  
HETATM   24  P   UNL     1       0.418  -1.625  -2.118  1.00  0.00           P  
HETATM   25  O   UNL     1      -0.306  -1.114  -3.384  1.00  0.00           O  
HETATM   26  O   UNL     1       1.234  -2.890  -2.466  1.00  0.00           O1-
HETATM   27  O   UNL     1      -0.670  -1.983  -0.986  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.753  -2.888  -1.206  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.591  -3.000   0.069  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.238  -1.745   0.341  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.699  -4.054  -0.123  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.559  -5.107   0.834  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.013  -3.273   0.121  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.937  -4.053   0.882  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.518  -2.051   0.936  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.439  -0.922   0.785  1.00  0.00           N1+
HETATM   37  C   UNL     1      -6.254  -0.628   1.778  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.145   0.438   1.675  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.058   0.767   2.791  1.00  0.00           C  
HETATM   40  O   UNL     1      -8.757   1.759   2.732  1.00  0.00           O  
HETATM   41  N   UNL     1      -8.115  -0.035   3.873  1.00  0.00           N  
HETATM   42  C   UNL     1      -7.161   1.198   0.486  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.276   0.840  -0.533  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.423  -0.232  -0.338  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.089   2.340   0.324  1.00  0.00           C  
HETATM   46  O   UNL     1      -7.675   3.478   0.423  1.00  0.00           O  
HETATM   47  N   UNL     1     -12.170   1.645  -0.487  1.00  0.00           N  
HETATM   48  C   UNL     1     -11.726   2.886  -0.462  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.398   3.160  -0.201  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.521   2.096   0.040  1.00  0.00           C  
HETATM   51  C   UNL     1     -10.035   0.795   0.003  1.00  0.00           C  
HETATM   52  C   UNL     1     -11.378   0.614  -0.266  1.00  0.00           C  
HETATM   53  H   UNL     1       1.066   2.306  -2.121  1.00  0.00           H  
HETATM   54  H   UNL     1       5.193   1.472  -2.304  1.00  0.00           H  
HETATM   55  H   UNL     1       4.176   2.888  -1.944  1.00  0.00           H  
HETATM   56  H   UNL     1       4.776   2.630   0.491  1.00  0.00           H  
HETATM   57  H   UNL     1       6.491   3.513  -1.700  1.00  0.00           H  
HETATM   58  H   UNL     1       7.051   5.106  -0.011  1.00  0.00           H  
HETATM   59  H   UNL     1       8.277   2.073  -1.187  1.00  0.00           H  
HETATM   60  H   UNL     1       9.027   4.148  -0.192  1.00  0.00           H  
HETATM   61  H   UNL     1       7.224   1.823   1.687  1.00  0.00           H  
HETATM   62  H   UNL     1       7.434  -0.988  -0.870  1.00  0.00           H  
HETATM   63  H   UNL     1      11.320  -3.300   0.835  1.00  0.00           H  
HETATM   64  H   UNL     1      12.483  -3.010   2.012  1.00  0.00           H  
HETATM   65  H   UNL     1      11.430   1.023   3.860  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.377  -2.517  -2.019  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.359  -3.870  -1.469  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.954  -3.278   0.909  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.673  -4.455  -1.136  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.230  -5.799   0.758  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.458  -2.957  -0.823  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.206  -4.875   0.451  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.399  -2.313   1.987  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.230  -1.219   2.681  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.557  -0.827   3.920  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.714   0.181   4.606  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.256   1.395  -1.459  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.733  -0.510  -1.122  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.411   3.700  -0.649  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.042   4.179  -0.183  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.393  -0.054   0.183  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.785  -0.386  -0.296  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   23                                                      
CONECT    2    1    1                                                 
CONECT    3    1   53                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   54   55                                       
CONECT    6    5    7    8   56                                       
CONECT    7    6   12                                                 
CONECT    8    6    9   10   57                                       
CONECT    9    8   58                                                 
CONECT   10    8   11   12   59                                       
CONECT   11   10   60                                                 
CONECT   12    7   10   13   61                                       
CONECT   13   12   14   22                                            
CONECT   14   13   15   15   62                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   22   22                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   63   64                                            
CONECT   19   17   17   20                                            
CONECT   20   19   21   21   65                                       
CONECT   21   20   20   22                                            
CONECT   22   13   16   16   21                                       
CONECT   23    1   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24                                                      
CONECT   27   24   28                                                 
CONECT   28   27   29   66   67                                       
CONECT   29   28   30   31   68                                       
CONECT   30   29   35                                                 
CONECT   31   29   32   33   69                                       
CONECT   32   31   70                                                 
CONECT   33   31   34   35   71                                       
CONECT   34   33   72                                                 
CONECT   35   30   33   36   73                                       
CONECT   36   35   37   44   44                                       
CONECT   37   36   38   38   74                                       
CONECT   38   37   37   39   42                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   75   76                                            
CONECT   42   38   43   43   45                                       
CONECT   43   42   42   44   77                                       
CONECT   44   36   36   43   78                                       
CONECT   45   42   46   46   50                                       
CONECT   46   45   45                                                 
CONECT   47   48   48   52                                            
CONECT   48   47   47   49   79                                       
CONECT   49   48   50   50   80                                       
CONECT   50   45   49   49   51                                       
CONECT   51   50   52   52   81                                       
CONECT   52   47   51   51   82                                       
CONECT   53    3                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   14                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   20                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   48                                                      
CONECT   80   49                                                      
CONECT   81   51                                                      
CONECT   82   52                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
