COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -3.607  -3.102  -1.090  1.00  0.00           P  
HETATM    2  O   UNL     1      -3.838  -4.559  -0.980  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.871  -2.629  -2.606  1.00  0.00           O  
HETATM    4  O   UNL     1      -4.611  -2.323  -0.102  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.029  -2.495  -0.140  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.679  -1.611   0.927  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.489  -0.226   0.596  1.00  0.00           O  
HETATM    8  C   UNL     1      -8.198  -1.869   0.968  1.00  0.00           C  
HETATM    9  O   UNL     1      -8.591  -2.338   2.259  1.00  0.00           O  
HETATM   10  C   UNL     1      -8.825  -0.484   0.679  1.00  0.00           C  
HETATM   11  O   UNL     1      -9.961  -0.255   1.516  1.00  0.00           O  
HETATM   12  C   UNL     1      -7.667   0.480   1.043  1.00  0.00           C  
HETATM   13  N   UNL     1      -7.810   1.751   0.329  1.00  0.00           N  
HETATM   14  C   UNL     1      -7.285   2.053  -0.893  1.00  0.00           C  
HETATM   15  N   UNL     1      -7.608   3.269  -1.227  1.00  0.00           N1+
HETATM   16  C   UNL     1      -8.357   3.822  -0.244  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.972   5.072  -0.054  1.00  0.00           C  
HETATM   18  N   UNL     1      -8.870   6.064  -1.014  1.00  0.00           N  
HETATM   19  N   UNL     1      -9.653   5.279   1.068  1.00  0.00           N  
HETATM   20  C   UNL     1      -9.756   4.339   1.989  1.00  0.00           C  
HETATM   21  N   UNL     1      -9.197   3.154   1.855  1.00  0.00           N  
HETATM   22  C   UNL     1      -8.501   2.853   0.764  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.086  -2.768  -0.681  1.00  0.00           O  
HETATM   24  N   UNL     1       6.969   1.624  -2.199  1.00  0.00           N  
HETATM   25  C   UNL     1       7.159   2.721  -2.927  1.00  0.00           C  
HETATM   26  O   UNL     1       6.635   2.776  -4.026  1.00  0.00           O  
HETATM   27  N   UNL     1       7.891   3.771  -2.528  1.00  0.00           N  
HETATM   28  C   UNL     1       8.502   3.782  -1.320  1.00  0.00           C  
HETATM   29  O   UNL     1       9.167   4.732  -0.955  1.00  0.00           O  
HETATM   30  C   UNL     1       8.327   2.588  -0.464  1.00  0.00           C  
HETATM   31  N   UNL     1       8.874   2.493   0.721  1.00  0.00           N  
HETATM   32  C   UNL     1       8.696   1.398   1.471  1.00  0.00           C  
HETATM   33  C   UNL     1       9.294   1.316   2.744  1.00  0.00           C  
HETATM   34  C   UNL     1       9.114   0.203   3.509  1.00  0.00           C  
HETATM   35  C   UNL     1       9.756   0.123   4.870  1.00  0.00           C  
HETATM   36  C   UNL     1       8.344  -0.859   3.048  1.00  0.00           C  
HETATM   37  C   UNL     1       8.160  -2.079   3.914  1.00  0.00           C  
HETATM   38  C   UNL     1       7.747  -0.808   1.808  1.00  0.00           C  
HETATM   39  C   UNL     1       7.914   0.317   1.004  1.00  0.00           C  
HETATM   40  N   UNL     1       7.319   0.373  -0.238  1.00  0.00           N  
HETATM   41  C   UNL     1       7.504   1.490  -0.997  1.00  0.00           C  
HETATM   42  C   UNL     1       6.507  -0.741  -0.731  1.00  0.00           C  
HETATM   43  C   UNL     1       5.049  -0.534  -0.314  1.00  0.00           C  
HETATM   44  O   UNL     1       4.966  -0.478   1.112  1.00  0.00           O  
HETATM   45  C   UNL     1       4.201  -1.699  -0.829  1.00  0.00           C  
HETATM   46  O   UNL     1       4.285  -1.755  -2.254  1.00  0.00           O  
HETATM   47  C   UNL     1       2.744  -1.492  -0.411  1.00  0.00           C  
HETATM   48  O   UNL     1       2.660  -1.436   1.014  1.00  0.00           O  
HETATM   49  C   UNL     1       1.895  -2.656  -0.926  1.00  0.00           C  
HETATM   50  O   UNL     1       0.518  -2.406  -0.638  1.00  0.00           O  
HETATM   51  P   UNL     1      -0.661  -3.426  -1.040  1.00  0.00           P  
HETATM   52  O   UNL     1      -0.598  -3.706  -2.491  1.00  0.00           O  
HETATM   53  O   UNL     1      -0.484  -4.801  -0.220  1.00  0.00           O  
HETATM   54  H   UNL     1      -3.738  -1.682  -2.752  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.404  -2.211  -1.123  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.274  -3.539   0.055  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.239  -1.823   1.902  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.483  -2.587   0.199  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.538  -2.516   2.341  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.094  -0.390  -0.373  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.679  -0.890   1.388  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.630   0.646   2.120  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.690   1.382  -1.494  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.351   3.710  -2.052  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.370   5.900  -1.829  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.299   6.922  -0.872  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.318   4.549   2.886  1.00  0.00           H  
HETATM   68  H   UNL     1       7.985   4.537  -3.115  1.00  0.00           H  
HETATM   69  H   UNL     1       9.894   2.134   3.113  1.00  0.00           H  
HETATM   70  H   UNL     1       9.074   0.527   5.618  1.00  0.00           H  
HETATM   71  H   UNL     1       9.978  -0.918   5.106  1.00  0.00           H  
HETATM   72  H   UNL     1      10.680   0.701   4.870  1.00  0.00           H  
HETATM   73  H   UNL     1       7.279  -1.949   4.543  1.00  0.00           H  
HETATM   74  H   UNL     1       8.029  -2.957   3.282  1.00  0.00           H  
HETATM   75  H   UNL     1       9.039  -2.213   4.544  1.00  0.00           H  
HETATM   76  H   UNL     1       7.151  -1.638   1.459  1.00  0.00           H  
HETATM   77  H   UNL     1       6.571  -0.784  -1.819  1.00  0.00           H  
HETATM   78  H   UNL     1       6.877  -1.675  -0.309  1.00  0.00           H  
HETATM   79  H   UNL     1       4.680   0.400  -0.737  1.00  0.00           H  
HETATM   80  H   UNL     1       5.279  -1.278   1.556  1.00  0.00           H  
HETATM   81  H   UNL     1       4.571  -2.633  -0.406  1.00  0.00           H  
HETATM   82  H   UNL     1       3.971  -0.955  -2.699  1.00  0.00           H  
HETATM   83  H   UNL     1       2.374  -0.558  -0.834  1.00  0.00           H  
HETATM   84  H   UNL     1       2.973  -2.235   1.458  1.00  0.00           H  
HETATM   85  H   UNL     1       2.029  -2.754  -2.004  1.00  0.00           H  
HETATM   86  H   UNL     1       2.208  -3.578  -0.436  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.515  -4.693   0.740  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   23                                                      
CONECT    2    1    1                                                 
CONECT    3    1   54                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   55   56                                       
CONECT    6    5    7    8   57                                       
CONECT    7    6   12                                                 
CONECT    8    6    9   10   58                                       
CONECT    9    8   59                                                 
CONECT   10    8   11   12   60                                       
CONECT   11   10   61                                                 
CONECT   12    7   10   13   62                                       
CONECT   13   12   14   22                                            
CONECT   14   13   15   15   63                                       
CONECT   15   14   14   16   64                                       
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   65   66                                            
CONECT   19   17   20   20                                            
CONECT   20   19   19   21   67                                       
CONECT   21   20   22   22                                            
CONECT   22   13   16   21   21                                       
CONECT   23    1   51                                                 
CONECT   24   25   41   41                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   68                                            
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   31   41                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   33   39                                       
CONECT   33   32   32   34   69                                       
CONECT   34   33   35   36   36                                       
CONECT   35   34   70   71   72                                       
CONECT   36   34   34   37   38                                       
CONECT   37   36   73   74   75                                       
CONECT   38   36   39   39   76                                       
CONECT   39   32   38   38   40                                       
CONECT   40   39   41   42                                            
CONECT   41   24   24   30   40                                       
CONECT   42   40   43   77   78                                       
CONECT   43   42   44   45   79                                       
CONECT   44   43   80                                                 
CONECT   45   43   46   47   81                                       
CONECT   46   45   82                                                 
CONECT   47   45   48   49   83                                       
CONECT   48   47   84                                                 
CONECT   49   47   50   85   86                                       
CONECT   50   49   51                                                 
CONECT   51   23   50   52   52                                       
CONECT   51   53                                                      
CONECT   52   51   51                                                 
CONECT   53   51   87                                                 
CONECT   54    3                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   27                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   45                                                      
CONECT   82   46                                                      
CONECT   83   47                                                      
CONECT   84   48                                                      
CONECT   85   49                                                      
CONECT   86   49                                                      
CONECT   87   53                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
