COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.903   5.111  -1.204  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.019   2.993  -0.939  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.254   2.711  -2.290  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.849   3.710  -3.096  1.00  0.00           C  
HETATM    5  N   UNL     1      -9.225   6.325  -0.652  1.00  0.00           N  
HETATM    6  O   UNL     1      -2.360  -3.022   1.349  1.00  0.00           O  
HETATM    7  O   UNL     1      -9.073   3.508  -4.278  1.00  0.00           O  
HETATM    8  O   UNL     1      -3.755  -3.715   3.467  1.00  0.00           O  
HETATM    9  P   UNL     1      -3.838  -3.091   1.985  1.00  0.00           P  
HETATM   10  P   UNL     1      -1.395  -4.100   0.643  1.00  0.00           P  
HETATM   11  P   UNL     1       0.806  -3.740  -1.310  1.00  0.00           P  
HETATM   12  P   UNL     1       3.541  -2.806  -1.965  1.00  0.00           P  
HETATM   13  C   UNL     1      -7.019   1.683   0.978  1.00  0.00           C  
HETATM   14  C   UNL     1       7.104   1.627  -0.707  1.00  0.00           C  
HETATM   15  N   UNL     1      -9.156   4.896  -2.526  1.00  0.00           N  
HETATM   16  N   UNL     1       9.990   4.079   2.875  1.00  0.00           N  
HETATM   17  O   UNL     1      -0.769  -5.074   1.762  1.00  0.00           O  
HETATM   18  O   UNL     1       1.255  -5.137  -1.116  1.00  0.00           O  
HETATM   19  O   UNL     1       4.461  -3.871  -1.182  1.00  0.00           O  
HETATM   20  C   UNL     1       9.515   4.546   1.686  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.198   1.179   1.848  1.00  0.00           C  
HETATM   22  C   UNL     1       8.081   1.274  -1.857  1.00  0.00           C  
HETATM   23  N   UNL     1       9.800   5.837   1.316  1.00  0.00           N  
HETATM   24  O   UNL     1      -4.700  -3.945   1.138  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.175  -4.899  -0.327  1.00  0.00           O  
HETATM   26  O   UNL     1       0.053  -3.610  -2.727  1.00  0.00           O  
HETATM   27  O   UNL     1      -8.976   2.274   2.336  1.00  0.00           O  
HETATM   28  O   UNL     1       8.818   2.426  -2.272  1.00  0.00           O  
HETATM   29  O   UNL     1       3.415  -3.211  -3.382  1.00  0.00           O  
HETATM   30  C   UNL     1      -7.463   0.464   3.007  1.00  0.00           C  
HETATM   31  C   UNL     1       7.114   0.806  -2.971  1.00  0.00           C  
HETATM   32  N   UNL     1      -8.354   4.189  -0.444  1.00  0.00           N  
HETATM   33  N   UNL     1       8.793   3.796   0.884  1.00  0.00           N  
HETATM   34  O   UNL     1      -0.206  -3.333  -0.126  1.00  0.00           O  
HETATM   35  O   UNL     1       2.082  -2.758  -1.288  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.363   1.322   4.145  1.00  0.00           O  
HETATM   37  O   UNL     1       6.860   1.867  -3.895  1.00  0.00           O  
HETATM   38  C   UNL     1       8.491   2.533   1.203  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.064   0.160   2.437  1.00  0.00           C  
HETATM   40  C   UNL     1       5.825   0.427  -2.218  1.00  0.00           C  
HETATM   41  O   UNL     1      -6.046   0.621   1.074  1.00  0.00           O  
HETATM   42  O   UNL     1       6.074   0.622  -0.814  1.00  0.00           O  
HETATM   43  C   UNL     1       8.950   1.995   2.411  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.800  -1.347   2.482  1.00  0.00           C  
HETATM   45  C   UNL     1       5.476  -1.038  -2.488  1.00  0.00           C  
HETATM   46  O   UNL     1      -4.459  -1.608   2.061  1.00  0.00           O  
HETATM   47  O   UNL     1       4.219  -1.348  -1.881  1.00  0.00           O  
HETATM   48  C   UNL     1       9.731   2.811   3.263  1.00  0.00           C  
HETATM   49  O   UNL     1      10.151   2.384   4.325  1.00  0.00           O  
HETATM   50  N   UNL     1      -7.824   1.446  -2.518  1.00  0.00           N  
HETATM   51  N   UNL     1       8.504   0.716   2.477  1.00  0.00           N  
HETATM   52  C   UNL     1      -7.351   0.947  -1.414  1.00  0.00           C  
HETATM   53  C   UNL     1       7.815   0.444   1.408  1.00  0.00           C  
HETATM   54  N   UNL     1      -7.445   1.868  -0.412  1.00  0.00           N  
HETATM   55  N   UNL     1       7.780   1.537   0.590  1.00  0.00           N  
HETATM   56  H   UNL     1      -9.626   7.016  -1.202  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.050   6.493   0.287  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.205  -3.206   4.078  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.614   2.612   1.380  1.00  0.00           H  
HETATM   60  H   UNL     1       6.685   2.623  -0.851  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.559   5.599  -3.060  1.00  0.00           H  
HETATM   62  H   UNL     1      10.520   4.659   3.444  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.244  -4.617   2.433  1.00  0.00           H  
HETATM   64  H   UNL     1       4.588  -3.668  -0.245  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.821   0.479   1.291  1.00  0.00           H  
HETATM   66  H   UNL     1       8.755   0.469  -1.562  1.00  0.00           H  
HETATM   67  H   UNL     1      10.331   6.402   1.897  1.00  0.00           H  
HETATM   68  H   UNL     1       9.469   6.183   0.472  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.269  -2.719  -2.921  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.726   2.009   2.886  1.00  0.00           H  
HETATM   71  H   UNL     1       9.443   2.256  -2.990  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.977  -0.461   3.270  1.00  0.00           H  
HETATM   73  H   UNL     1       7.523  -0.062  -3.489  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.215   1.546   4.545  1.00  0.00           H  
HETATM   75  H   UNL     1       7.639   2.145  -4.397  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.305   0.688   3.014  1.00  0.00           H  
HETATM   77  H   UNL     1       5.005   1.071  -2.539  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.938  -1.709   3.500  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.496  -1.858   1.817  1.00  0.00           H  
HETATM   80  H   UNL     1       5.411  -1.204  -3.563  1.00  0.00           H  
HETATM   81  H   UNL     1       6.250  -1.679  -2.068  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.939  -0.046  -1.309  1.00  0.00           H  
HETATM   83  H   UNL     1       7.343  -0.504   1.197  1.00  0.00           H  
CONECT    1   32   32   15    5                                       
CONECT    2   54    3    3   32                                       
CONECT    3   50    2    2    4                                       
CONECT    4    3    7    7   15                                       
CONECT    5    1   56   57                                            
CONECT    6   10    9                                                 
CONECT    7    4    4                                                 
CONECT    8    9   58                                                 
CONECT    9   24   24    6   46                                       
CONECT    9    8                                                      
CONECT   10   25   25   34   17                                       
CONECT   10    6                                                      
CONECT   11   35   18   18   34                                       
CONECT   11   26                                                      
CONECT   12   29   29   35   19                                       
CONECT   12   47                                                      
CONECT   13   21   41   54   59                                       
CONECT   14   22   42   55   60                                       
CONECT   15    4    1   61                                            
CONECT   16   48   20   62                                            
CONECT   17   10   63                                                 
CONECT   18   11   11                                                 
CONECT   19   12   64                                                 
CONECT   20   33   33   16   23                                       
CONECT   21   30   27   13   65                                       
CONECT   22   31   28   14   66                                       
CONECT   23   20   67   68                                            
CONECT   24    9    9                                                 
CONECT   25   10   10                                                 
CONECT   26   11   69                                                 
CONECT   27   21   70                                                 
CONECT   28   22   71                                                 
CONECT   29   12   12                                                 
CONECT   30   36   39   21   72                                       
CONECT   31   37   40   22   73                                       
CONECT   32    2    1    1                                            
CONECT   33   38   20   20                                            
CONECT   34   11   10                                                 
CONECT   35   12   11                                                 
CONECT   36   30   74                                                 
CONECT   37   31   75                                                 
CONECT   38   55   43   43   33                                       
CONECT   39   44   30   41   76                                       
CONECT   40   31   45   42   77                                       
CONECT   41   39   13                                                 
CONECT   42   40   14                                                 
CONECT   43   51   38   38   48                                       
CONECT   44   46   39   78   79                                       
CONECT   45   47   40   80   81                                       
CONECT   46    9   44                                                 
CONECT   47   12   45                                                 
CONECT   48   43   49   49   16                                       
CONECT   49   48   48                                                 
CONECT   50   52   52    3                                            
CONECT   51   53   53   43                                            
CONECT   52   54   50   50   82                                       
CONECT   53   51   51   55   83                                       
CONECT   54   52   13    2                                            
CONECT   55   53   14   38                                            
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    8                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   44                                                      
CONECT   79   44                                                      
CONECT   80   45                                                      
CONECT   81   45                                                      
CONECT   82   52                                                      
CONECT   83   53                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
