COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.877   2.188   0.052  1.00  0.00           C  
HETATM    2  C   UNL     1       0.699  -0.284   0.417  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.969   0.670  -0.121  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.350   0.175   0.032  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.547  -0.345   0.786  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.794  -0.221  -0.091  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.718   0.026   0.418  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.133   0.165   0.611  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.062   4.354  -0.326  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.517   0.342  -0.107  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.042   2.612  -2.116  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.089   2.851  -0.606  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.481   0.602  -1.095  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.791  -0.776   1.325  1.00  0.00           O  
HETATM   15  C   UNL     1       1.915   0.244  -0.348  1.00  0.00           C  
HETATM   16  C   UNL     1       3.185  -0.410   0.199  1.00  0.00           C  
HETATM   17  C   UNL     1       4.382   0.110  -0.554  1.00  0.00           C  
HETATM   18  O   UNL     1       4.227   0.852  -1.501  1.00  0.00           O  
HETATM   19  N   UNL     1       5.625  -0.249  -0.175  1.00  0.00           N  
HETATM   20  C   UNL     1       6.791   0.346  -0.832  1.00  0.00           C  
HETATM   21  C   UNL     1       7.200   1.595  -0.094  1.00  0.00           C  
HETATM   22  C   UNL     1       6.659   2.816  -0.450  1.00  0.00           C  
HETATM   23  C   UNL     1       7.034   3.962   0.227  1.00  0.00           C  
HETATM   24  C   UNL     1       7.950   3.886   1.260  1.00  0.00           C  
HETATM   25  C   UNL     1       8.490   2.664   1.616  1.00  0.00           C  
HETATM   26  C   UNL     1       8.112   1.518   0.942  1.00  0.00           C  
HETATM   27  C   UNL     1       5.809  -1.235   0.892  1.00  0.00           C  
HETATM   28  C   UNL     1       5.993  -2.603   0.287  1.00  0.00           C  
HETATM   29  C   UNL     1       7.246  -3.011  -0.130  1.00  0.00           C  
HETATM   30  C   UNL     1       7.415  -4.265  -0.686  1.00  0.00           C  
HETATM   31  C   UNL     1       6.331  -5.111  -0.825  1.00  0.00           C  
HETATM   32  C   UNL     1       5.078  -4.704  -0.407  1.00  0.00           C  
HETATM   33  C   UNL     1       4.910  -3.451   0.154  1.00  0.00           C  
HETATM   34  H   UNL     1      -2.862   2.432   1.115  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.964   2.552  -0.417  1.00  0.00           H  
HETATM   36  H   UNL     1       0.804  -0.045   1.475  1.00  0.00           H  
HETATM   37  H   UNL     1       0.634  -1.365   0.293  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.074   0.431  -1.179  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.027  -0.177   1.513  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.925   4.827  -0.795  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.095   4.524   0.750  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.147   4.784  -0.734  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.459   0.984  -0.832  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.061   1.541  -2.316  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.906   3.084  -2.586  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.127   3.042  -2.524  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.004   2.421  -0.198  1.00  0.00           H  
HETATM   48  H   UNL     1       1.810   0.005  -1.406  1.00  0.00           H  
HETATM   49  H   UNL     1       1.980   1.325  -0.225  1.00  0.00           H  
HETATM   50  H   UNL     1       3.290  -0.171   1.258  1.00  0.00           H  
HETATM   51  H   UNL     1       3.119  -1.491   0.076  1.00  0.00           H  
HETATM   52  H   UNL     1       7.616  -0.367  -0.824  1.00  0.00           H  
HETATM   53  H   UNL     1       6.539   0.599  -1.862  1.00  0.00           H  
HETATM   54  H   UNL     1       5.944   2.876  -1.257  1.00  0.00           H  
HETATM   55  H   UNL     1       6.612   4.916  -0.051  1.00  0.00           H  
HETATM   56  H   UNL     1       8.243   4.781   1.789  1.00  0.00           H  
HETATM   57  H   UNL     1       9.206   2.605   2.423  1.00  0.00           H  
HETATM   58  H   UNL     1       8.531   0.563   1.223  1.00  0.00           H  
HETATM   59  H   UNL     1       6.690  -0.975   1.479  1.00  0.00           H  
HETATM   60  H   UNL     1       4.931  -1.239   1.538  1.00  0.00           H  
HETATM   61  H   UNL     1       8.093  -2.349  -0.023  1.00  0.00           H  
HETATM   62  H   UNL     1       8.394  -4.584  -1.013  1.00  0.00           H  
HETATM   63  H   UNL     1       6.463  -6.091  -1.259  1.00  0.00           H  
HETATM   64  H   UNL     1       4.231  -5.365  -0.515  1.00  0.00           H  
HETATM   65  H   UNL     1       3.931  -3.133   0.481  1.00  0.00           H  
HETATM   66  C   UNL     1      -9.010  -0.749   0.674  1.00  0.00           C  
HETATM   67  C   UNL     1     -10.257  -0.626  -0.203  1.00  0.00           C  
HETATM   68  N   UNL     1     -11.425  -1.132   0.531  1.00  0.00           N  
HETATM   69  C   UNL     1     -12.671  -0.815  -0.178  1.00  0.00           C  
HETATM   70  C   UNL     1     -11.308  -2.577   0.771  1.00  0.00           C  
HETATM   71  H   UNL     1      -6.387  -1.392   1.044  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.684   0.237   1.697  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.954   0.825  -0.350  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.657  -0.804  -1.002  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.850  -1.796   0.932  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.147  -0.167   1.585  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.417   0.421  -0.462  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.120  -1.208  -1.115  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.654  -1.275  -1.167  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.519  -1.202   0.387  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.766   0.266  -0.282  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.412  -2.777   1.359  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.185  -2.926   1.316  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.241  -3.100  -0.183  1.00  0.00           H  
CONECT    1   12    3   34   35                                       
CONECT    2   10   15   36   37                                       
CONECT    3    1    8    7   38                                       
CONECT    4    5    8   13   13                                       
CONECT    5    6    4   71   72                                       
CONECT    6    5   66   73   74                                       
CONECT    7   10    3   14   14                                       
CONECT    8    4    3   39                                            
CONECT    9   12   40   41   42                                       
CONECT   10    2    7   43                                            
CONECT   11   12   44   45   46                                       
CONECT   12   11    1    9   47                                       
CONECT   13    4    4                                                 
CONECT   14    7    7                                                 
CONECT   15   16    2   48   49                                       
CONECT   16   17   15   50   51                                       
CONECT   17   19   16   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   27   20   17                                            
CONECT   20   19   21   52   53                                       
CONECT   21   20   26   26   22                                       
CONECT   22   21   23   23   54                                       
CONECT   23   22   22   24   55                                       
CONECT   24   25   25   23   56                                       
CONECT   25   26   24   24   57                                       
CONECT   26   21   21   25   58                                       
CONECT   27   28   19   59   60                                       
CONECT   28   29   29   33   27                                       
CONECT   29   30   28   28   61                                       
CONECT   30   31   31   29   62                                       
CONECT   31   30   30   32   63                                       
CONECT   32   31   33   33   64                                       
CONECT   33   32   32   28   65                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66    6   67   75   76                                       
CONECT   67   66   68   77   78                                       
CONECT   68   67   69   70                                            
CONECT   69   68   79   80   81                                       
CONECT   70   68   82   83   84                                       
CONECT   71    5                                                      
CONECT   72    5                                                      
CONECT   73    6                                                      
CONECT   74    6                                                      
CONECT   75   66                                                      
CONECT   76   66                                                      
CONECT   77   67                                                      
CONECT   78   67                                                      
CONECT   79   69                                                      
CONECT   80   69                                                      
CONECT   81   69                                                      
CONECT   82   70                                                      
CONECT   83   70                                                      
CONECT   84   70                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
