COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.167   0.817  -0.467  1.00  0.00           O  
HETATM    2  C   UNL     1       5.099   1.335  -0.221  1.00  0.00           C  
HETATM    3  C   UNL     1       4.971   2.798  -0.238  1.00  0.00           C  
HETATM    4  C   UNL     1       3.740   3.399   0.052  1.00  0.00           C  
HETATM    5  C   UNL     1       3.627   4.766   0.035  1.00  0.00           C  
HETATM    6  C   UNL     1       4.731   5.554  -0.269  1.00  0.00           C  
HETATM    7  O   UNL     1       4.614   6.906  -0.284  1.00  0.00           O  
HETATM    8  C   UNL     1       5.956   4.962  -0.557  1.00  0.00           C  
HETATM    9  C   UNL     1       6.082   3.597  -0.538  1.00  0.00           C  
HETATM   10  C   UNL     1       3.901   0.478   0.096  1.00  0.00           C  
HETATM   11  C   UNL     1       4.300  -0.998   0.040  1.00  0.00           C  
HETATM   12  C   UNL     1       3.120  -1.863   0.488  1.00  0.00           C  
HETATM   13  C   UNL     1       3.553  -3.330   0.537  1.00  0.00           C  
HETATM   14  C   UNL     1       4.611  -3.513   1.628  1.00  0.00           C  
HETATM   15  C   UNL     1       5.124  -4.954   1.603  1.00  0.00           C  
HETATM   16  C   UNL     1       6.182  -5.136   2.694  1.00  0.00           C  
HETATM   17  C   UNL     1       1.967  -1.705  -0.505  1.00  0.00           C  
HETATM   18  C   UNL     1       2.407  -2.205  -1.882  1.00  0.00           C  
HETATM   19  C   UNL     1       0.766  -2.522  -0.026  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.438  -2.267  -0.919  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.398  -0.821  -1.419  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.664  -3.184  -2.099  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.867  -2.639  -2.886  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.126  -2.575  -2.023  1.00  0.00           C  
HETATM   25  C   UNL     1       0.327  -2.057   1.387  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.166  -1.640   1.266  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.643  -2.440   0.048  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.832  -1.902  -0.690  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.575  -0.909  -0.215  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.731  -0.421  -0.984  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.415   0.635  -0.558  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.683   1.064  -1.260  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.817   1.123  -0.228  1.00  0.00           C  
HETATM   34  O   UNL     1      -8.165  -0.202   0.179  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.942   1.425   0.641  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.080   1.483   1.669  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.755   2.426   2.692  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.341   1.917   0.967  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.016   2.958   1.388  1.00  0.00           C  
HETATM   40  H   UNL     1       2.882   2.788   0.287  1.00  0.00           H  
HETATM   41  H   UNL     1       2.678   5.231   0.259  1.00  0.00           H  
HETATM   42  H   UNL     1       4.795   7.326   0.568  1.00  0.00           H  
HETATM   43  H   UNL     1       6.811   5.579  -0.793  1.00  0.00           H  
HETATM   44  H   UNL     1       7.035   3.138  -0.758  1.00  0.00           H  
HETATM   45  H   UNL     1       3.536   0.718   1.095  1.00  0.00           H  
HETATM   46  H   UNL     1       3.114   0.669  -0.634  1.00  0.00           H  
HETATM   47  H   UNL     1       4.577  -1.261  -0.980  1.00  0.00           H  
HETATM   48  H   UNL     1       5.149  -1.170   0.703  1.00  0.00           H  
HETATM   49  H   UNL     1       2.793  -1.547   1.478  1.00  0.00           H  
HETATM   50  H   UNL     1       2.689  -3.956   0.760  1.00  0.00           H  
HETATM   51  H   UNL     1       3.972  -3.618  -0.427  1.00  0.00           H  
HETATM   52  H   UNL     1       5.440  -2.828   1.448  1.00  0.00           H  
HETATM   53  H   UNL     1       4.169  -3.300   2.601  1.00  0.00           H  
HETATM   54  H   UNL     1       4.295  -5.638   1.783  1.00  0.00           H  
HETATM   55  H   UNL     1       5.566  -5.166   0.630  1.00  0.00           H  
HETATM   56  H   UNL     1       6.548  -6.163   2.677  1.00  0.00           H  
HETATM   57  H   UNL     1       7.011  -4.452   2.514  1.00  0.00           H  
HETATM   58  H   UNL     1       5.740  -4.924   3.668  1.00  0.00           H  
HETATM   59  H   UNL     1       1.687  -0.654  -0.573  1.00  0.00           H  
HETATM   60  H   UNL     1       3.263  -1.623  -2.224  1.00  0.00           H  
HETATM   61  H   UNL     1       2.687  -3.257  -1.815  1.00  0.00           H  
HETATM   62  H   UNL     1       1.586  -2.093  -2.590  1.00  0.00           H  
HETATM   63  H   UNL     1       1.011  -3.584  -0.016  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.170  -0.155  -0.586  1.00  0.00           H  
HETATM   65  H   UNL     1       0.371  -0.722  -2.184  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.367  -0.556  -1.841  1.00  0.00           H  
HETATM   67  H   UNL     1       0.221  -3.192  -2.735  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.876  -4.193  -1.747  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.633  -1.638  -3.247  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.056  -3.288  -3.741  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.894  -2.008  -2.550  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.489  -3.587  -1.842  1.00  0.00           H  
HETATM   73  H   UNL     1       0.430  -2.876   2.100  1.00  0.00           H  
HETATM   74  H   UNL     1       0.930  -1.207   1.705  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.722  -1.927   2.159  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.253  -0.569   1.083  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.784  -3.489   0.309  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.331  -0.459   0.736  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.023  -0.922  -1.895  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.540   2.049  -1.703  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.931   0.344  -2.039  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.687   1.611  -0.668  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.877  -0.238   0.832  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.075   0.934   1.084  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.673   2.434   0.332  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.224   0.497   2.111  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.433   2.513   3.376  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.920   3.257   0.879  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.667   3.518   2.243  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    4    2    9    9                                       
CONECT    4    5    5    3   40                                       
CONECT    5    4    4    6   41                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   42                                                 
CONECT    8    6    6    9   43                                       
CONECT    9    3    3    8   44                                       
CONECT   10   11    2   45   46                                       
CONECT   11   12   10   47   48                                       
CONECT   12   17   11   13   49                                       
CONECT   13   12   14   50   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   56   57   58                                       
CONECT   17   18   19   12   59                                       
CONECT   18   17   60   61   62                                       
CONECT   19   20   17   25   63                                       
CONECT   20   21   27   22   19                                       
CONECT   21   20   64   65   66                                       
CONECT   22   23   20   67   68                                       
CONECT   23   24   22   69   70                                       
CONECT   24   28   23   71   72                                       
CONECT   25   26   19   73   74                                       
CONECT   26   27   25   75   76                                       
CONECT   27   28   20   26   77                                       
CONECT   28   29   29   24   27                                       
CONECT   29   30   28   28   78                                       
CONECT   30   31   31   29   79                                       
CONECT   31   35   32   30   30                                       
CONECT   32   33   31   80   81                                       
CONECT   33   34   38   32   82                                       
CONECT   34   33   83                                                 
CONECT   35   36   31   84   85                                       
CONECT   36   38   35   37   86                                       
CONECT   37   36   87                                                 
CONECT   38   39   39   33   36                                       
CONECT   39   38   38   88   89                                       
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
