COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.383  -3.355   1.925  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.190  -3.359   2.155  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.744  -3.653   3.393  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.230  -3.044   1.082  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.857  -3.053   1.342  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.689  -2.738  -0.207  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.019  -2.731  -0.472  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.163  -2.388  -1.852  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.626  -2.363  -2.214  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.460  -2.613  -1.376  1.00  0.00           O  
HETATM   11  O   UNL     1      -6.003  -2.063  -3.467  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.777  -2.442  -1.209  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.424  -2.450  -0.937  1.00  0.00           C  
HETATM   14  C   UNL     1       0.035  -2.752   0.335  1.00  0.00           C  
HETATM   15  C   UNL     1       1.515  -2.756   0.618  1.00  0.00           C  
HETATM   16  C   UNL     1       1.953  -1.361   1.068  1.00  0.00           C  
HETATM   17  C   UNL     1       3.427  -1.396   1.474  1.00  0.00           C  
HETATM   18  N   UNL     1       4.227  -1.941   0.369  1.00  0.00           N  
HETATM   19  C   UNL     1       5.478  -1.172   0.333  1.00  0.00           C  
HETATM   20  C   UNL     1       6.363  -1.691  -0.802  1.00  0.00           C  
HETATM   21  C   UNL     1       7.666  -0.890  -0.839  1.00  0.00           C  
HETATM   22  C   UNL     1       8.552  -1.409  -1.974  1.00  0.00           C  
HETATM   23  C   UNL     1       9.855  -0.608  -2.011  1.00  0.00           C  
HETATM   24  O   UNL     1       3.584  -2.222   2.629  1.00  0.00           O  
HETATM   25  N   UNL     1       1.771  -0.411  -0.038  1.00  0.00           N  
HETATM   26  C   UNL     1       1.655   0.923   0.567  1.00  0.00           C  
HETATM   27  O   UNL     1       2.908   1.602   0.466  1.00  0.00           O  
HETATM   28  C   UNL     1       0.579   1.725  -0.169  1.00  0.00           C  
HETATM   29  N   UNL     1       0.546   3.096   0.356  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.312   3.071   1.549  1.00  0.00           C  
HETATM   31  O   UNL     1       0.413   2.510   2.645  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.713   4.403   1.874  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.968   4.302   2.551  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.820   3.383   3.766  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.411   5.692   3.014  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.016   3.724   1.599  1.00  0.00           C  
HETATM   37  C   UNL     1       0.902   1.758  -1.664  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.196   2.484  -2.398  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.066   3.831  -2.679  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.073   4.497  -3.353  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.210   3.815  -3.745  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.339   2.468  -3.465  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.330   1.801  -2.796  1.00  0.00           C  
HETATM   44  H   UNL     1      -3.373  -3.860   4.097  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.495  -3.288   2.332  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.728  -1.404  -2.029  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.650  -3.128  -2.466  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.941  -2.047  -3.699  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.126  -2.206  -2.203  1.00  0.00           H  
HETATM   50  H   UNL     1       0.283  -2.218  -1.721  1.00  0.00           H  
HETATM   51  H   UNL     1       2.057  -3.033  -0.287  1.00  0.00           H  
HETATM   52  H   UNL     1       1.732  -3.477   1.406  1.00  0.00           H  
HETATM   53  H   UNL     1       1.349  -1.048   1.919  1.00  0.00           H  
HETATM   54  H   UNL     1       3.765  -0.385   1.702  1.00  0.00           H  
HETATM   55  H   UNL     1       3.730  -1.726  -0.483  1.00  0.00           H  
HETATM   56  H   UNL     1       6.001  -1.285   1.283  1.00  0.00           H  
HETATM   57  H   UNL     1       5.252  -0.119   0.165  1.00  0.00           H  
HETATM   58  H   UNL     1       5.840  -1.578  -1.751  1.00  0.00           H  
HETATM   59  H   UNL     1       6.589  -2.744  -0.634  1.00  0.00           H  
HETATM   60  H   UNL     1       8.189  -1.003   0.111  1.00  0.00           H  
HETATM   61  H   UNL     1       7.441   0.163  -1.007  1.00  0.00           H  
HETATM   62  H   UNL     1       8.029  -1.296  -2.923  1.00  0.00           H  
HETATM   63  H   UNL     1       8.777  -2.462  -1.806  1.00  0.00           H  
HETATM   64  H   UNL     1       9.629   0.445  -2.179  1.00  0.00           H  
HETATM   65  H   UNL     1      10.378  -0.720  -1.062  1.00  0.00           H  
HETATM   66  H   UNL     1      10.486  -0.977  -2.820  1.00  0.00           H  
HETATM   67  H   UNL     1       3.275  -3.105   2.385  1.00  0.00           H  
HETATM   68  H   UNL     1       2.630  -0.415  -0.568  1.00  0.00           H  
HETATM   69  H   UNL     1       1.380   0.823   1.617  1.00  0.00           H  
HETATM   70  H   UNL     1       3.114   1.669  -0.477  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.392   1.254  -0.017  1.00  0.00           H  
HETATM   72  H   UNL     1       1.480   3.307   0.675  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.194   2.464   1.348  1.00  0.00           H  
HETATM   74  H   UNL     1       1.140   3.118   2.839  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.978   3.717   4.373  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.733   3.417   4.360  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.643   2.362   3.429  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.516   6.346   2.149  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.368   5.615   3.530  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.664   6.104   3.693  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.768   2.687   1.372  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.998   3.768   2.069  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.029   4.304   0.676  1.00  0.00           H  
HETATM   84  H   UNL     1       1.848   2.277  -1.820  1.00  0.00           H  
HETATM   85  H   UNL     1       0.980   0.739  -2.042  1.00  0.00           H  
HETATM   86  H   UNL     1       0.822   4.364  -2.372  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.972   5.550  -3.571  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.997   4.336  -4.271  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.228   1.935  -3.772  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.431   0.749  -2.577  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   44                                                 
CONECT    4    2    5    5    6                                       
CONECT    5    4    4   14   45                                       
CONECT    6    4    7   12   12                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   46   47                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   48                                                 
CONECT   12    6    6   13   49                                       
CONECT   13   12   14   14   50                                       
CONECT   14    5   13   13   15                                       
CONECT   15   14   16   51   52                                       
CONECT   16   15   17   25   53                                       
CONECT   17   16   18   24   54                                       
CONECT   18   17   19   55                                            
CONECT   19   18   20   56   57                                       
CONECT   20   19   21   58   59                                       
CONECT   21   20   22   60   61                                       
CONECT   22   21   23   62   63                                       
CONECT   23   22   64   65   66                                       
CONECT   24   17   67                                                 
CONECT   25   16   26   68                                            
CONECT   26   25   27   28   69                                       
CONECT   27   26   70                                                 
CONECT   28   26   29   37   71                                       
CONECT   29   28   30   72                                            
CONECT   30   29   31   32   73                                       
CONECT   31   30   74                                                 
CONECT   32   30   33                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33   75   76   77                                       
CONECT   35   33   78   79   80                                       
CONECT   36   33   81   82   83                                       
CONECT   37   28   38   84   85                                       
CONECT   38   37   39   39   43                                       
CONECT   39   38   38   40   86                                       
CONECT   40   39   41   41   87                                       
CONECT   41   40   40   42   88                                       
CONECT   42   41   43   43   89                                       
CONECT   43   38   42   42   90                                       
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
