COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      22.116  12.924  26.527  1.00  0.00           N  
HETATM    2  N   UNL     1      20.647  12.420  23.186  1.00  0.00           N  
HETATM    3  C   UNL     1      21.558  10.927  24.894  1.00  0.00           C  
HETATM    4  C   UNL     1      20.751  11.400  22.236  1.00  0.00           C  
HETATM    5  C   UNL     1      21.164  10.137  22.635  1.00  0.00           C  
HETATM    6  C   UNL     1      20.422  11.665  20.868  1.00  0.00           C  
HETATM    7  C   UNL     1      20.526  10.622  19.927  1.00  0.00           C  
HETATM    8  C   UNL     1      21.321   9.151  21.651  1.00  0.00           C  
HETATM    9  C   UNL     1      21.641   8.504  24.504  1.00  0.00           C  
HETATM   10  C   UNL     1      19.947  13.104  20.639  1.00  0.00           C  
HETATM   11  C   UNL     1      21.187  13.992  20.646  1.00  0.00           C  
HETATM   12  C   UNL     1      23.097   6.605  25.300  1.00  0.00           C  
HETATM   13  C   UNL     1      24.467   6.000  25.443  1.00  0.00           C  
HETATM   14  C   UNL     1      18.549  13.185  24.260  1.00  0.00           C  
HETATM   15  C   UNL     1      18.885  11.429  26.186  1.00  0.00           C  
HETATM   16  C   UNL     1      19.451  10.700  28.435  1.00  0.00           C  
HETATM   17  C   UNL     1      18.694   9.097  26.841  1.00  0.00           C  
HETATM   18  C   UNL     1      22.386  11.661  26.911  1.00  0.00           C  
HETATM   19  C   UNL     1      21.531  13.312  25.328  1.00  0.00           C  
HETATM   20  N   UNL     1      22.114  10.642  26.097  1.00  0.00           N  
HETATM   21  N   UNL     1      21.492   9.861  23.986  1.00  0.00           N  
HETATM   22  C   UNL     1      20.953   9.349  20.346  1.00  0.00           C  
HETATM   23  C   UNL     1      20.989   8.175  19.408  1.00  0.00           C  
HETATM   24  C   UNL     1      20.225  10.802  18.472  1.00  0.00           C  
HETATM   25  O   UNL     1      22.971  11.491  27.983  1.00  0.00           O  
HETATM   26  C   UNL     1      19.577  13.482  23.082  1.00  0.00           C  
HETATM   27  C   UNL     1      18.930  13.464  21.730  1.00  0.00           C  
HETATM   28  C   UNL     1      19.217  13.409  19.311  1.00  0.00           C  
HETATM   29  O   UNL     1      21.418  14.484  25.025  1.00  0.00           O  
HETATM   30  C   UNL     1      23.037   8.036  24.766  1.00  0.00           C  
HETATM   31  O   UNL     1      26.794   6.373  26.035  1.00  0.00           O  
HETATM   32  P   UNL     1      27.530   5.847  27.381  1.00  0.00           P  
HETATM   33  O   UNL     1      26.876   4.532  27.722  1.00  0.00           O  
HETATM   34  O   UNL     1      27.319   6.882  28.442  1.00  0.00           O  
HETATM   35  O   UNL     1      28.962   5.662  26.918  1.00  0.00           O  
HETATM   36  O   UNL     1      23.800   8.117  23.573  1.00  0.00           O  
HETATM   37  O   UNL     1      22.409   6.585  26.551  1.00  0.00           O  
HETATM   38  O   UNL     1      24.379   4.759  26.110  1.00  0.00           O  
HETATM   39  C   UNL     1      19.313  12.282  25.046  1.00  0.00           C  
HETATM   40  C   UNL     1      19.323  11.709  27.500  1.00  0.00           C  
HETATM   41  C   UNL     1      19.143   9.395  28.101  1.00  0.00           C  
HETATM   42  C   UNL     1      18.553  10.123  25.899  1.00  0.00           C  
HETATM   43  C   UNL     1      17.255  13.752  24.272  1.00  0.00           C  
HETATM   44  O   UNL     1      17.256  15.049  24.249  1.00  0.00           O  
HETATM   45  O   UNL     1      16.209  13.027  24.036  1.00  0.00           O  
HETATM   46  C   UNL     1      25.457   6.934  26.109  1.00  0.00           C  
HETATM   47  H   UNL     1      22.360  13.653  27.167  1.00  0.00           H  
HETATM   48  H   UNL     1      21.748   8.200  21.932  1.00  0.00           H  
HETATM   49  H   UNL     1      21.086   8.446  25.452  1.00  0.00           H  
HETATM   50  H   UNL     1      21.190   7.817  23.773  1.00  0.00           H  
HETATM   51  H   UNL     1      20.890  15.039  20.484  1.00  0.00           H  
HETATM   52  H   UNL     1      21.697  13.902  21.616  1.00  0.00           H  
HETATM   53  H   UNL     1      21.869  13.676  19.843  1.00  0.00           H  
HETATM   54  H   UNL     1      22.537   5.976  24.592  1.00  0.00           H  
HETATM   55  H   UNL     1      24.842   5.814  24.426  1.00  0.00           H  
HETATM   56  H   UNL     1      19.794  10.932  29.432  1.00  0.00           H  
HETATM   57  H   UNL     1      18.451   8.078  26.577  1.00  0.00           H  
HETATM   58  H   UNL     1      21.353   7.287  19.945  1.00  0.00           H  
HETATM   59  H   UNL     1      19.977   7.982  19.024  1.00  0.00           H  
HETATM   60  H   UNL     1      21.664   8.397  18.568  1.00  0.00           H  
HETATM   61  H   UNL     1      20.378   9.849  17.945  1.00  0.00           H  
HETATM   62  H   UNL     1      19.180  11.124  18.351  1.00  0.00           H  
HETATM   63  H   UNL     1      20.895  11.566  18.051  1.00  0.00           H  
HETATM   64  H   UNL     1      20.028  14.470  23.259  1.00  0.00           H  
HETATM   65  H   UNL     1      18.512  14.459  21.518  1.00  0.00           H  
HETATM   66  H   UNL     1      18.121  12.718  21.728  1.00  0.00           H  
HETATM   67  H   UNL     1      18.935  14.472  19.283  1.00  0.00           H  
HETATM   68  H   UNL     1      19.884  13.184  18.466  1.00  0.00           H  
HETATM   69  H   UNL     1      18.312  12.788  19.239  1.00  0.00           H  
HETATM   70  H   UNL     1      23.483   8.696  25.525  1.00  0.00           H  
HETATM   71  H   UNL     1      26.802   6.512  29.148  1.00  0.00           H  
HETATM   72  H   UNL     1      29.182   4.738  26.930  1.00  0.00           H  
HETATM   73  H   UNL     1      24.686   7.819  23.742  1.00  0.00           H  
HETATM   74  H   UNL     1      21.547   6.970  26.445  1.00  0.00           H  
HETATM   75  H   UNL     1      25.154   4.630  26.644  1.00  0.00           H  
HETATM   76  H   UNL     1      19.561  12.725  27.777  1.00  0.00           H  
HETATM   77  H   UNL     1      19.256   8.609  28.833  1.00  0.00           H  
HETATM   78  H   UNL     1      18.172   9.883  24.917  1.00  0.00           H  
HETATM   79  H   UNL     1      15.468  13.591  23.849  1.00  0.00           H  
HETATM   80  H   UNL     1      25.441   7.907  25.597  1.00  0.00           H  
HETATM   81  H   UNL     1      25.177   7.070  27.164  1.00  0.00           H  
HETATM   82  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
CONECT    1   18   19   47                                            
CONECT    2    4   82   26                                            
CONECT    3   82   20   20   21                                       
CONECT    4    2    5    5    6                                       
CONECT    5    4    4    8   21                                       
CONECT    6    4    7    7   10                                       
CONECT    7    6    6   22   24                                       
CONECT    8    5   22   22   48                                       
CONECT    9   21   30   49   50                                       
CONECT   10    6   11   27   28                                       
CONECT   11   10   51   52   53                                       
CONECT   12   13   30   37   54                                       
CONECT   13   12   38   46   55                                       
CONECT   14   26   39   39   43                                       
CONECT   15   39   40   40   42                                       
CONECT   16   40   41   41   56                                       
CONECT   17   41   42   42   57                                       
CONECT   18    1   20   25   25                                       
CONECT   19    1   82   29   29                                       
CONECT   20    3    3   18                                            
CONECT   21    3    5    9                                            
CONECT   22    7    8    8   23                                       
CONECT   23   22   58   59   60                                       
CONECT   24    7   61   62   63                                       
CONECT   25   18   18                                                 
CONECT   26    2   14   27   64                                       
CONECT   27   10   26   65   66                                       
CONECT   28   10   67   68   69                                       
CONECT   29   19   19                                                 
CONECT   30    9   12   36   70                                       
CONECT   31   32   46                                                 
CONECT   32   31   33   33   34                                       
CONECT   32   35                                                      
CONECT   33   32   32                                                 
CONECT   34   32   71                                                 
CONECT   35   32   72                                                 
CONECT   36   30   73                                                 
CONECT   37   12   74                                                 
CONECT   38   13   75                                                 
CONECT   39   14   14   15   82                                       
CONECT   40   15   15   16   76                                       
CONECT   41   16   16   17   77                                       
CONECT   42   15   17   17   78                                       
CONECT   43   14   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   79                                                 
CONECT   46   13   31   80   81                                       
CONECT   47    1                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   46                                                      
CONECT   82    2    3   19   39                                       
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
