COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.903  -1.508  -1.108  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.233  -3.577   0.176  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.810  -1.702  -1.890  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.234  -2.673  -0.427  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.546  -3.598  -1.461  1.00  0.00           C  
HETATM    6  C   UNL     1       6.025  -0.909  -2.725  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.739   4.574  -1.619  1.00  0.00           O  
HETATM    8  O   UNL     1       4.597   0.831   1.061  1.00  0.00           O  
HETATM    9  O   UNL     1      -9.819   6.771   0.373  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.722  -6.728   2.235  1.00  0.00           O  
HETATM   11  O   UNL     1      10.585   3.831   2.474  1.00  0.00           O  
HETATM   12  O   UNL     1      -7.668   6.116  -1.217  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.250  -4.539   1.447  1.00  0.00           O  
HETATM   14  O   UNL     1       8.186   3.151   1.307  1.00  0.00           O  
HETATM   15  C   UNL     1      -8.535   3.852   2.135  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.086  -8.342   0.306  1.00  0.00           C  
HETATM   17  C   UNL     1      11.564   0.875   0.584  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.325   4.942   1.809  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.217  -8.166   1.085  1.00  0.00           C  
HETATM   20  C   UNL     1      11.636   1.982   1.413  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.457   3.513   1.347  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.341  -7.253  -0.095  1.00  0.00           C  
HETATM   23  C   UNL     1      10.369   0.524  -0.006  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.394   1.260  -0.571  1.00  0.00           C  
HETATM   25  C   UNL     1       0.923   0.142  -0.833  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.088   2.493  -1.152  1.00  0.00           C  
HETATM   27  C   UNL     1       2.128   0.382   0.078  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.197   0.887  -1.448  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.337  -0.021   0.020  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.234   2.850  -0.312  1.00  0.00           N  
HETATM   31  N   UNL     1       3.334   0.539  -0.739  1.00  0.00           N  
HETATM   32  N   UNL     1       6.841   1.578  -0.219  1.00  0.00           N  
HETATM   33  O   UNL     1       7.803  -0.153  -1.217  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.000   3.912  -0.633  1.00  0.00           C  
HETATM   35  C   UNL     1       4.525   0.761  -0.147  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.929  -4.797  -0.144  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.038   5.702   0.688  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.610  -6.894   1.470  1.00  0.00           C  
HETATM   39  C   UNL     1      10.507   2.746   1.658  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.952   5.373  -0.117  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.867  -5.787   1.072  1.00  0.00           C  
HETATM   42  C   UNL     1       9.295   2.403   1.069  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.154   4.271   0.213  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.725  -5.966   0.285  1.00  0.00           C  
HETATM   45  C   UNL     1       9.223   1.285   0.232  1.00  0.00           C  
HETATM   46  C   UNL     1       6.396  -0.455  -1.312  1.00  0.00           C  
HETATM   47  C   UNL     1       7.940   0.912  -0.399  1.00  0.00           C  
HETATM   48  C   UNL     1       5.766   0.921  -0.987  1.00  0.00           C  
HETATM   49  N   UNL     1      -1.491  -0.250  -0.853  1.00  0.00           N  
HETATM   50  O   UNL     1      -0.818  -4.900  -0.904  1.00  0.00           O  
HETATM   51  C   UNL     1       0.959  -3.330  -1.521  1.00  0.00           C  
HETATM   52  H   UNL     1      -0.521  -2.327   0.321  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.001  -3.490  -2.445  1.00  0.00           H  
HETATM   54  H   UNL     1       6.573  -1.820  -2.969  1.00  0.00           H  
HETATM   55  H   UNL     1       4.954  -1.106  -2.775  1.00  0.00           H  
HETATM   56  H   UNL     1       6.285  -0.127  -3.438  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.525   7.603   0.770  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.551  -6.749   3.187  1.00  0.00           H  
HETATM   59  H   UNL     1      10.801   4.654   2.015  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.066   6.854  -1.048  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.868  -4.246   2.286  1.00  0.00           H  
HETATM   62  H   UNL     1       8.059   3.875   0.679  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.764   3.266   3.013  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.784  -9.337   0.014  1.00  0.00           H  
HETATM   65  H   UNL     1      12.450   0.287   0.395  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.168   5.200   2.432  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.795  -9.024   1.395  1.00  0.00           H  
HETATM   68  H   UNL     1      12.577   2.250   1.871  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.845   2.662   1.607  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.460  -7.397  -0.703  1.00  0.00           H  
HETATM   71  H   UNL     1      10.319  -0.340  -0.652  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.050   1.479   0.440  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.097   0.427  -0.543  1.00  0.00           H  
HETATM   74  H   UNL     1       0.800   0.993  -1.504  1.00  0.00           H  
HETATM   75  H   UNL     1       1.085  -0.762  -1.419  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.385   3.326  -1.181  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.432   2.274  -2.163  1.00  0.00           H  
HETATM   78  H   UNL     1       1.966   1.287   0.664  1.00  0.00           H  
HETATM   79  H   UNL     1       2.251  -0.468   0.749  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.547   0.617  -2.444  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.520   1.738  -1.519  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.214  -0.871   0.691  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.499   0.884   0.605  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.442   2.322   0.475  1.00  0.00           H  
HETATM   85  H   UNL     1       3.276   0.482  -1.705  1.00  0.00           H  
HETATM   86  H   UNL     1       6.105  -1.203  -0.574  1.00  0.00           H  
HETATM   87  H   UNL     1       5.546   1.474  -1.900  1.00  0.00           H  
HETATM   88  H   UNL     1       1.378  -3.379  -0.516  1.00  0.00           H  
HETATM   89  H   UNL     1       1.437  -4.081  -2.151  1.00  0.00           H  
HETATM   90  H   UNL     1       1.136  -2.340  -1.941  1.00  0.00           H  
CONECT    1    3    3    4   49                                       
CONECT    2    4   36   36                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   52                                       
CONECT    5    4   50   51   53                                       
CONECT    6   46   54   55   56                                       
CONECT    7   34   34                                                 
CONECT    8   35   35                                                 
CONECT    9   37   57                                                 
CONECT   10   38   58                                                 
CONECT   11   39   59                                                 
CONECT   12   40   60                                                 
CONECT   13   41   61                                                 
CONECT   14   42   62                                                 
CONECT   15   18   18   21   63                                       
CONECT   16   19   19   22   64                                       
CONECT   17   20   20   23   65                                       
CONECT   18   15   15   37   66                                       
CONECT   19   16   16   38   67                                       
CONECT   20   17   17   39   68                                       
CONECT   21   15   43   43   69                                       
CONECT   22   16   44   44   70                                       
CONECT   23   17   45   45   71                                       
CONECT   24   26   28   72   73                                       
CONECT   25   27   29   74   75                                       
CONECT   26   24   30   76   77                                       
CONECT   27   25   31   78   79                                       
CONECT   28   24   49   80   81                                       
CONECT   29   25   49   82   83                                       
CONECT   30   26   34   84                                            
CONECT   31   27   35   85                                            
CONECT   32   47   47   48                                            
CONECT   33   46   47                                                 
CONECT   34    7    7   30   43                                       
CONECT   35    8    8   31   48                                       
CONECT   36    2    2   44   50                                       
CONECT   37    9   18   40   40                                       
CONECT   38   10   19   41   41                                       
CONECT   39   11   20   42   42                                       
CONECT   40   12   37   37   43                                       
CONECT   41   13   38   38   44                                       
CONECT   42   14   39   39   45                                       
CONECT   43   21   21   34   40                                       
CONECT   44   22   22   36   41                                       
CONECT   45   23   23   42   47                                       
CONECT   46    6   33   48   86                                       
CONECT   47   32   32   33   45                                       
CONECT   48   32   35   46   87                                       
CONECT   49    1   28   29                                            
CONECT   50    5   36                                                 
CONECT   51    5   88   89   90                                       
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   46                                                      
CONECT   87   48                                                      
CONECT   88   51                                                      
CONECT   89   51                                                      
CONECT   90   51                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
