COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.592  -1.012   0.492  1.00  0.00           C  
HETATM    2  O   UNL     1       5.897  -1.957   0.175  1.00  0.00           O  
HETATM    3  O   UNL     1       7.836  -0.893  -0.009  1.00  0.00           O  
HETATM    4  C   UNL     1       8.281  -1.931  -0.921  1.00  0.00           C  
HETATM    5  C   UNL     1       9.687  -1.633  -1.375  1.00  0.00           C  
HETATM    6  C   UNL     1      10.763  -2.122  -0.658  1.00  0.00           C  
HETATM    7  C   UNL     1      12.053  -1.848  -1.074  1.00  0.00           C  
HETATM    8  C   UNL     1      12.266  -1.085  -2.207  1.00  0.00           C  
HETATM    9  C   UNL     1      11.190  -0.595  -2.923  1.00  0.00           C  
HETATM   10  C   UNL     1       9.900  -0.873  -2.510  1.00  0.00           C  
HETATM   11  N   UNL     1       6.115  -0.079   1.340  1.00  0.00           N  
HETATM   12  C   UNL     1       4.726  -0.149   1.800  1.00  0.00           C  
HETATM   13  C   UNL     1       3.829   0.530   0.796  1.00  0.00           C  
HETATM   14  O   UNL     1       4.304   1.023  -0.205  1.00  0.00           O  
HETATM   15  C   UNL     1       4.600   0.554   3.153  1.00  0.00           C  
HETATM   16  C   UNL     1       5.417  -0.186   4.181  1.00  0.00           C  
HETATM   17  O   UNL     1       5.953  -1.230   3.890  1.00  0.00           O  
HETATM   18  O   UNL     1       5.548   0.313   5.420  1.00  0.00           O  
HETATM   19  N   UNL     1       2.500   0.588   1.011  1.00  0.00           N  
HETATM   20  C   UNL     1       1.629   1.248   0.035  1.00  0.00           C  
HETATM   21  C   UNL     1       0.376   1.725   0.723  1.00  0.00           C  
HETATM   22  O   UNL     1       0.225   1.533   1.911  1.00  0.00           O  
HETATM   23  C   UNL     1       1.259   0.257  -1.070  1.00  0.00           C  
HETATM   24  C   UNL     1       2.517  -0.132  -1.849  1.00  0.00           C  
HETATM   25  C   UNL     1       2.152  -1.107  -2.938  1.00  0.00           C  
HETATM   26  O   UNL     1       1.004  -1.456  -3.077  1.00  0.00           O  
HETATM   27  O   UNL     1       3.103  -1.589  -3.753  1.00  0.00           O  
HETATM   28  N   UNL     1      -0.578   2.365   0.018  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.796   2.829   0.686  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.913   2.934  -0.321  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.660   2.956  -1.507  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.544   4.202   1.312  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.477   4.077   2.402  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.059   5.173   0.233  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.691   0.650  -0.184  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.673  -0.459  -0.565  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.384  -1.690   0.255  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.484  -1.680   1.061  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.125  -2.796   0.090  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.981   1.881  -1.004  1.00  0.00           C  
HETATM   41  O   UNL     1      -6.884   1.872  -1.813  1.00  0.00           O  
HETATM   42  N   UNL     1      -5.236   2.992  -0.838  1.00  0.00           N  
HETATM   43  C   UNL     1      -5.517   4.189  -1.635  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.391  -5.989  -0.399  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.246  -7.034  -0.694  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.432  -7.174   0.001  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.763  -6.269   0.992  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.908  -5.223   1.287  1.00  0.00           C  
HETATM   49  C   UNL     1      -7.722  -5.083   0.592  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.515   5.053  -0.908  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.790  -3.944   0.914  1.00  0.00           C  
HETATM   52  O   UNL     1      -6.946   4.706   0.166  1.00  0.00           O  
HETATM   53  N   UNL     1      -4.192   3.003   0.097  1.00  0.00           N  
HETATM   54  O   UNL     1      -6.924   6.210  -1.453  1.00  0.00           O  
HETATM   55  H   UNL     1       8.261  -2.895  -0.412  1.00  0.00           H  
HETATM   56  H   UNL     1       7.619  -1.963  -1.786  1.00  0.00           H  
HETATM   57  H   UNL     1      10.597  -2.719   0.226  1.00  0.00           H  
HETATM   58  H   UNL     1      12.893  -2.230  -0.514  1.00  0.00           H  
HETATM   59  H   UNL     1      13.273  -0.870  -2.531  1.00  0.00           H  
HETATM   60  H   UNL     1      11.357   0.002  -3.808  1.00  0.00           H  
HETATM   61  H   UNL     1       9.060  -0.494  -3.072  1.00  0.00           H  
HETATM   62  H   UNL     1       6.691   0.639   1.646  1.00  0.00           H  
HETATM   63  H   UNL     1       4.430  -1.193   1.904  1.00  0.00           H  
HETATM   64  H   UNL     1       4.966   1.577   3.066  1.00  0.00           H  
HETATM   65  H   UNL     1       3.555   0.567   3.460  1.00  0.00           H  
HETATM   66  H   UNL     1       6.081  -0.198   6.045  1.00  0.00           H  
HETATM   67  H   UNL     1       2.120   0.193   1.811  1.00  0.00           H  
HETATM   68  H   UNL     1       2.151   2.100  -0.400  1.00  0.00           H  
HETATM   69  H   UNL     1       0.816  -0.634  -0.626  1.00  0.00           H  
HETATM   70  H   UNL     1       0.541   0.720  -1.747  1.00  0.00           H  
HETATM   71  H   UNL     1       2.959   0.760  -2.293  1.00  0.00           H  
HETATM   72  H   UNL     1       3.235  -0.594  -1.172  1.00  0.00           H  
HETATM   73  H   UNL     1       2.821  -2.213  -4.437  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.457   2.519  -0.932  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.075   2.120   1.466  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.468   4.578   1.750  1.00  0.00           H  
HETATM   77  H   UNL     1       0.448   3.702   1.964  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.297   5.056   2.848  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.822   3.386   3.171  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.183   4.756  -0.264  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.852   5.329  -0.498  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.797   6.126   0.693  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.800   0.885   0.875  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.672   0.316  -0.378  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.692  -0.124  -0.370  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.564  -0.693  -1.623  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.595   4.749  -1.788  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.928   3.894  -2.601  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.462  -5.882  -0.939  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.987  -7.741  -1.468  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.101  -7.990  -0.230  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.691  -6.378   1.535  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.167  -4.516   2.061  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.762  -4.247   0.713  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.891  -3.678   1.966  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.391   3.060   1.045  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.565   6.730  -0.950  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   55   56                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   57                                       
CONECT    7    6    8    8   58                                       
CONECT    8    7    7    9   59                                       
CONECT    9    8   10   10   60                                       
CONECT   10    5    9    9   61                                       
CONECT   11   12   62    1                                            
CONECT   12   11   13   15   63                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   64   65                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   66                                                 
CONECT   19   20   67   13                                            
CONECT   20   19   21   23   68                                       
CONECT   21   20   22   22   28                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   69   70                                       
CONECT   24   23   25   71   72                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   73                                                 
CONECT   28   29   74   21                                            
CONECT   29   28   30   32   75                                       
CONECT   30   29   31   31   53                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   34   76                                       
CONECT   33   32   77   78   79                                       
CONECT   34   32   80   81   82                                       
CONECT   35   36   40   83   84                                       
CONECT   36   35   37   85   86                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   51                                                 
CONECT   40   35   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   43   53                                            
CONECT   43   42   50   87   88                                       
CONECT   44   45   45   49   89                                       
CONECT   45   44   44   46   90                                       
CONECT   46   45   47   47   91                                       
CONECT   47   46   46   48   92                                       
CONECT   48   47   49   49   93                                       
CONECT   49   44   48   48   51                                       
CONECT   50   43   52   52   54                                       
CONECT   51   39   49   94   95                                       
CONECT   52   50   50                                                 
CONECT   53   42   96   30                                            
CONECT   54   50   97                                                 
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
CONECT   92   47                                                      
CONECT   93   48                                                      
CONECT   94   51                                                      
CONECT   95   51                                                      
CONECT   96   53                                                      
CONECT   97   54                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
