COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.192   4.903   0.752  1.00  0.00           O  
HETATM    2  C   UNL     1       7.037   2.166  -0.228  1.00  0.00           C  
HETATM    3  C   UNL     1       6.015   2.643  -1.262  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.710   3.665   0.104  1.00  0.00           O  
HETATM    5  C   UNL     1       3.965   3.960  -1.312  1.00  0.00           C  
HETATM    6  N   UNL     1       9.116   0.826  -0.197  1.00  0.00           N  
HETATM    7  C   UNL     1       2.837   4.674  -0.613  1.00  0.00           C  
HETATM    8  C   UNL     1       1.573   3.814  -0.674  1.00  0.00           C  
HETATM    9  N   UNL     1       4.977   3.433  -0.595  1.00  0.00           N  
HETATM   10  C   UNL     1       1.109   3.693  -2.127  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.669   5.413   0.247  1.00  0.00           O  
HETATM   12  C   UNL     1       1.876   2.422  -0.118  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.789   4.252   2.309  1.00  0.00           O  
HETATM   14  C   UNL     1       0.471   4.468   0.161  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.639   0.949   0.870  1.00  0.00           C  
HETATM   16  N   UNL     1      -6.588  -3.616   0.113  1.00  0.00           N  
HETATM   17  C   UNL     1      -7.103  -0.068  -0.176  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.144   2.865   0.692  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.149  -2.370  -0.416  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.211   1.863   2.876  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.719  -3.730   1.158  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.432  -4.983   1.362  1.00  0.00           N  
HETATM   23  O   UNL     1     -10.340   2.055  -0.246  1.00  0.00           O  
HETATM   24  P   UNL     1     -10.710   0.761  -0.862  1.00  0.00           P  
HETATM   25  O   UNL     1     -11.798   0.018   0.064  1.00  0.00           O  
HETATM   26  O   UNL     1     -11.336   1.021  -2.322  1.00  0.00           O  
HETATM   27  O   UNL     1      -9.399  -0.164  -0.997  1.00  0.00           O  
HETATM   28  C   UNL     1      -8.557  -0.488   0.111  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.478  -2.022   0.301  1.00  0.00           C  
HETATM   30  O   UNL     1      -9.583  -2.672  -0.330  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.846  -4.882  -0.347  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.096  -5.750   0.464  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.174  -7.130   0.209  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.458  -8.033   0.976  1.00  0.00           N  
HETATM   35  N   UNL     1      -6.950  -7.547  -0.785  1.00  0.00           N  
HETATM   36  C   UNL     1      -7.637  -6.693  -1.521  1.00  0.00           C  
HETATM   37  N   UNL     1      -7.595  -5.393  -1.319  1.00  0.00           N  
HETATM   38  O   UNL     1      -6.292  -1.252  -0.098  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.327   1.408   0.540  1.00  0.00           O  
HETATM   40  P   UNL     1      -4.527   2.487   1.426  1.00  0.00           P  
HETATM   41  O   UNL     1      -5.351   3.706   1.582  1.00  0.00           O  
HETATM   42  P   UNL     1      -2.072   4.053   0.869  1.00  0.00           P  
HETATM   43  O   UNL     1       3.962   3.859  -2.521  1.00  0.00           O  
HETATM   44  C   UNL     1       8.104   1.353  -0.915  1.00  0.00           C  
HETATM   45  O   UNL     1       8.052   1.172  -2.113  1.00  0.00           O  
HETATM   46  C   UNL     1      10.153   0.036  -0.865  1.00  0.00           C  
HETATM   47  C   UNL     1      11.175  -0.441   0.169  1.00  0.00           C  
HETATM   48  S   UNL     1      12.457  -1.418  -0.655  1.00  0.00           S  
HETATM   49  C   UNL     1      13.469  -1.825   0.728  1.00  0.00           C  
HETATM   50  O   UNL     1      13.167  -1.431   1.839  1.00  0.00           O  
HETATM   51  C   UNL     1      14.678  -2.641   0.540  1.00  0.00           C  
HETATM   52  C   UNL     1      15.406  -2.923   1.599  1.00  0.00           C  
HETATM   53  C   UNL     1      16.667  -3.736   1.553  1.00  0.00           C  
HETATM   54  C   UNL     1      16.740  -4.519   0.240  1.00  0.00           C  
HETATM   55  C   UNL     1      16.471  -3.552  -0.919  1.00  0.00           C  
HETATM   56  C   UNL     1      15.006  -3.109  -0.847  1.00  0.00           C  
HETATM   57  H   UNL     1       3.372   4.095   1.252  1.00  0.00           H  
HETATM   58  H   UNL     1       7.493   3.029   0.256  1.00  0.00           H  
HETATM   59  H   UNL     1       6.537   1.552   0.520  1.00  0.00           H  
HETATM   60  H   UNL     1       6.514   3.257  -2.011  1.00  0.00           H  
HETATM   61  H   UNL     1       5.558   1.780  -1.747  1.00  0.00           H  
HETATM   62  H   UNL     1       9.157   0.971   0.761  1.00  0.00           H  
HETATM   63  H   UNL     1       2.652   5.629  -1.105  1.00  0.00           H  
HETATM   64  H   UNL     1       5.019   3.578   0.363  1.00  0.00           H  
HETATM   65  H   UNL     1       1.861   3.158  -2.706  1.00  0.00           H  
HETATM   66  H   UNL     1       0.166   3.147  -2.163  1.00  0.00           H  
HETATM   67  H   UNL     1       0.968   4.689  -2.548  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.878   5.355  -0.695  1.00  0.00           H  
HETATM   69  H   UNL     1       2.662   1.956  -0.713  1.00  0.00           H  
HETATM   70  H   UNL     1       2.207   2.508   0.917  1.00  0.00           H  
HETATM   71  H   UNL     1       0.976   1.809  -0.162  1.00  0.00           H  
HETATM   72  H   UNL     1       0.255   5.461  -0.235  1.00  0.00           H  
HETATM   73  H   UNL     1       0.802   4.555   1.196  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.327   1.795   0.884  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.623   0.478   1.853  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.030   0.367  -1.172  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.299  -2.445  -1.493  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.673   1.060   2.850  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.327  -2.903   1.731  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.087  -0.839  -0.279  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.131   1.572  -2.316  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.922  -0.007   1.019  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.429  -2.281   1.359  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.578  -3.635  -0.239  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.895  -7.716   1.699  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.520  -8.983   0.790  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.256  -7.075  -2.319  1.00  0.00           H  
HETATM   88  H   UNL     1       9.697  -0.827  -1.349  1.00  0.00           H  
HETATM   89  H   UNL     1      10.653   0.650  -1.613  1.00  0.00           H  
HETATM   90  H   UNL     1      11.632   0.423   0.654  1.00  0.00           H  
HETATM   91  H   UNL     1      10.675  -1.055   0.918  1.00  0.00           H  
HETATM   92  H   UNL     1      15.078  -2.547   2.557  1.00  0.00           H  
HETATM   93  H   UNL     1      17.528  -3.072   1.626  1.00  0.00           H  
HETATM   94  H   UNL     1      16.677  -4.435   2.389  1.00  0.00           H  
HETATM   95  H   UNL     1      17.733  -4.956   0.130  1.00  0.00           H  
HETATM   96  H   UNL     1      15.990  -5.310   0.243  1.00  0.00           H  
HETATM   97  H   UNL     1      17.124  -2.685  -0.832  1.00  0.00           H  
HETATM   98  H   UNL     1      16.656  -4.057  -1.867  1.00  0.00           H  
HETATM   99  H   UNL     1      14.362  -3.946  -1.115  1.00  0.00           H  
HETATM  100  H   UNL     1      14.842  -2.291  -1.549  1.00  0.00           H  
CONECT    1    7   57                                                 
CONECT    2   44    3   58   59                                       
CONECT    3    2    9   60   61                                       
CONECT    4   42   14                                                 
CONECT    5   43   43    7    9                                       
CONECT    6   44   46   62                                            
CONECT    7    8    5    1   63                                       
CONECT    8   14   12   10    7                                       
CONECT    9    5    3   64                                            
CONECT   10    8   65   66   67                                       
CONECT   11   42   68                                                 
CONECT   12    8   69   70   71                                       
CONECT   13   42   42                                                 
CONECT   14    4    8   72   73                                       
CONECT   15   17   39   74   75                                       
CONECT   16   19   31   21                                            
CONECT   17   28   38   15   76                                       
CONECT   18   40   42                                                 
CONECT   19   29   38   16   77                                       
CONECT   20   40   78                                                 
CONECT   21   16   22   22   79                                       
CONECT   22   21   21   32                                            
CONECT   23   24   24                                                 
CONECT   24   23   23   26   25                                       
CONECT   24   27                                                      
CONECT   25   24   80                                                 
CONECT   26   24   81                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   17   82                                       
CONECT   29   30   28   19   83                                       
CONECT   30   29   84                                                 
CONECT   31   37   16   32   32                                       
CONECT   32   31   31   33   22                                       
CONECT   33   35   35   32   34                                       
CONECT   34   33   85   86                                            
CONECT   35   36   33   33                                            
CONECT   36   37   37   35   87                                       
CONECT   37   36   36   31                                            
CONECT   38   19   17                                                 
CONECT   39   15   40                                                 
CONECT   40   41   41   39   20                                       
CONECT   40   18                                                      
CONECT   41   40   40                                                 
CONECT   42   13   13   18   11                                       
CONECT   42    4                                                      
CONECT   43    5    5                                                 
CONECT   44   45   45    2    6                                       
CONECT   45   44   44                                                 
CONECT   46    6   47   88   89                                       
CONECT   47   46   48   90   91                                       
CONECT   48   47   49                                                 
CONECT   49   48   51   50   50                                       
CONECT   50   49   49                                                 
CONECT   51   56   49   52   52                                       
CONECT   52   51   51   53   92                                       
CONECT   53   54   52   93   94                                       
CONECT   54   55   53   95   96                                       
CONECT   55   56   54   97   98                                       
CONECT   56   55   51   99  100                                       
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60    3                                                      
CONECT   61    3                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   17                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   36                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
CONECT   91   47                                                      
CONECT   92   52                                                      
CONECT   93   53                                                      
CONECT   94   53                                                      
CONECT   95   54                                                      
CONECT   96   54                                                      
CONECT   97   55                                                      
CONECT   98   55                                                      
CONECT   99   56                                                      
CONECT  100   56                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
