COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.522  -0.676  10.722  1.00  0.00           N  
HETATM    2  C   UNL     1       1.703  -0.191  10.244  1.00  0.00           C  
HETATM    3  N   UNL     1       2.673  -0.513  11.050  1.00  0.00           N  
HETATM    4  C   UNL     1       2.177  -1.218  12.095  1.00  0.00           C  
HETATM    5  C   UNL     1       2.736  -1.818  13.235  1.00  0.00           C  
HETATM    6  N   UNL     1       4.095  -1.740  13.483  1.00  0.00           N  
HETATM    7  N   UNL     1       1.928  -2.459  14.074  1.00  0.00           N  
HETATM    8  C   UNL     1       0.630  -2.538  13.846  1.00  0.00           C  
HETATM    9  N   UNL     1       0.063  -1.996  12.788  1.00  0.00           N  
HETATM   10  C   UNL     1       0.792  -1.336  11.894  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.329  -0.045   5.903  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.689   0.936   6.877  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.886   0.259   8.235  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.657  -0.364   8.668  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.200   1.310   9.322  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.608   1.382   9.557  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.466   0.783  10.578  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.399   0.517  11.628  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.794  -0.521  10.098  1.00  0.00           C  
HETATM   20  P   UNL     1      -1.139   0.732   4.506  1.00  0.00           P  
HETATM   21  O   UNL     1      -0.072   1.747   4.648  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.519   1.457   4.104  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.730  -0.318   3.358  1.00  0.00           O  
HETATM   24  P   UNL     1      -0.558   0.523   1.996  1.00  0.00           P  
HETATM   25  O   UNL     1       0.500   1.541   2.177  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.948   1.251   1.636  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.147  -0.471   0.799  1.00  0.00           O  
HETATM   28  P   UNL     1       0.007   0.432  -0.524  1.00  0.00           P  
HETATM   29  O   UNL     1      -1.278   1.103  -0.816  1.00  0.00           O  
HETATM   30  O   UNL     1       1.149   1.542  -0.285  1.00  0.00           O  
HETATM   31  O   UNL     1       0.420  -0.502  -1.767  1.00  0.00           O  
HETATM   32  P   UNL     1       0.557   0.461  -3.049  1.00  0.00           P  
HETATM   33  O   UNL     1      -0.737   1.132  -3.303  1.00  0.00           O  
HETATM   34  O   UNL     1       1.689   1.571  -2.768  1.00  0.00           O  
HETATM   35  O   UNL     1       0.970  -0.412  -4.337  1.00  0.00           O  
HETATM   36  P   UNL     1       1.088   0.610  -5.575  1.00  0.00           P  
HETATM   37  O   UNL     1      -0.214   1.278  -5.790  1.00  0.00           O  
HETATM   38  O   UNL     1       2.212   1.716  -5.251  1.00  0.00           O  
HETATM   39  O   UNL     1       1.500  -0.201  -6.903  1.00  0.00           O  
HETATM   40  C   UNL     1       1.589   0.755  -7.961  1.00  0.00           C  
HETATM   41  C   UNL     1       1.980   0.046  -9.259  1.00  0.00           C  
HETATM   42  O   UNL     1       0.970  -0.912  -9.615  1.00  0.00           O  
HETATM   43  C   UNL     1       2.071   1.069 -10.408  1.00  0.00           C  
HETATM   44  O   UNL     1       3.387   1.090 -10.964  1.00  0.00           O  
HETATM   45  C   UNL     1       1.048   0.552 -11.453  1.00  0.00           C  
HETATM   46  O   UNL     1       1.566   0.680 -12.779  1.00  0.00           O  
HETATM   47  C   UNL     1       0.904  -0.939 -11.057  1.00  0.00           C  
HETATM   48  N   UNL     1      -0.384  -1.473 -11.505  1.00  0.00           N  
HETATM   49  C   UNL     1      -1.524  -0.869 -11.123  1.00  0.00           C  
HETATM   50  O   UNL     1      -1.472   0.116 -10.413  1.00  0.00           O  
HETATM   51  N   UNL     1      -2.722  -1.336 -11.523  1.00  0.00           N  
HETATM   52  C   UNL     1      -2.797  -2.428 -12.310  1.00  0.00           C  
HETATM   53  O   UNL     1      -3.880  -2.854 -12.669  1.00  0.00           O  
HETATM   54  C   UNL     1      -1.605  -3.076 -12.715  1.00  0.00           C  
HETATM   55  C   UNL     1      -0.417  -2.584 -12.303  1.00  0.00           C  
HETATM   56  H   UNL     1       1.817   0.375   9.333  1.00  0.00           H  
HETATM   57  H   UNL     1       4.468  -2.156  14.276  1.00  0.00           H  
HETATM   58  H   UNL     1       4.676  -1.274  12.861  1.00  0.00           H  
HETATM   59  H   UNL     1       0.009  -3.068  14.554  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.617   1.423   6.576  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.896   1.680   6.953  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.686  -0.478   8.178  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.811   2.286   9.033  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.743   2.051  10.242  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.714   1.499  10.909  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.827   1.357  11.841  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.425  -1.379  10.326  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.186   0.762   4.022  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.608   0.554   1.527  1.00  0.00           H  
HETATM   70  H   UNL     1       1.969   1.064  -0.098  1.00  0.00           H  
HETATM   71  H   UNL     1       2.515   1.093  -2.608  1.00  0.00           H  
HETATM   72  H   UNL     1       3.043   1.240  -5.119  1.00  0.00           H  
HETATM   73  H   UNL     1       0.624   1.244  -8.090  1.00  0.00           H  
HETATM   74  H   UNL     1       2.344   1.501  -7.713  1.00  0.00           H  
HETATM   75  H   UNL     1       2.939  -0.455  -9.133  1.00  0.00           H  
HETATM   76  H   UNL     1       1.789   2.062 -10.057  1.00  0.00           H  
HETATM   77  H   UNL     1       3.364   1.701 -11.713  1.00  0.00           H  
HETATM   78  H   UNL     1       0.095   1.073 -11.358  1.00  0.00           H  
HETATM   79  H   UNL     1       1.631   1.627 -12.964  1.00  0.00           H  
HETATM   80  H   UNL     1       1.725  -1.526 -11.468  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.534  -0.886 -11.242  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.645  -3.952 -13.345  1.00  0.00           H  
HETATM   83  H   UNL     1       0.502  -3.064 -12.602  1.00  0.00           H  
CONECT    1    2   10   19                                            
CONECT    2    1    3    3   56                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5   10   10                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   57   58                                            
CONECT    7    5    5    8                                            
CONECT    8    7    9    9   59                                       
CONECT    9    8    8   10                                            
CONECT   10    1    4    4    9                                       
CONECT   11   12   20                                                 
CONECT   12   11   13   60   61                                       
CONECT   13   12   14   15   62                                       
CONECT   14   13   19                                                 
CONECT   15   13   16   17   63                                       
CONECT   16   15   64                                                 
CONECT   17   15   18   19   65                                       
CONECT   18   17   66                                                 
CONECT   19    1   14   17   67                                       
CONECT   20   11   21   21   22                                       
CONECT   20   23                                                      
CONECT   21   20   20                                                 
CONECT   22   20   68                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   69                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   70                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   33   34                                       
CONECT   32   35                                                      
CONECT   33   32   32                                                 
CONECT   34   32   71                                                 
CONECT   35   32   36                                                 
CONECT   36   35   37   37   38                                       
CONECT   36   39                                                      
CONECT   37   36   36                                                 
CONECT   38   36   72                                                 
CONECT   39   36   40                                                 
CONECT   40   39   41   73   74                                       
CONECT   41   40   42   43   75                                       
CONECT   42   41   47                                                 
CONECT   43   41   44   45   76                                       
CONECT   44   43   77                                                 
CONECT   45   43   46   47   78                                       
CONECT   46   45   79                                                 
CONECT   47   42   45   48   80                                       
CONECT   48   47   49   55                                            
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52   81                                            
CONECT   52   51   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52   55   55   82                                       
CONECT   55   48   54   54   83                                       
CONECT   56    2                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    8                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   22                                                      
CONECT   69   26                                                      
CONECT   70   30                                                      
CONECT   71   34                                                      
CONECT   72   38                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   43                                                      
CONECT   77   44                                                      
CONECT   78   45                                                      
CONECT   79   46                                                      
CONECT   80   47                                                      
CONECT   81   51                                                      
CONECT   82   54                                                      
CONECT   83   55                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
