COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.050   8.263  -4.764  1.00  0.00           O  
HETATM    2  C   UNL     1       6.198   8.117  -5.970  1.00  0.00           C  
HETATM    3  C   UNL     1       7.110   7.083  -6.583  1.00  0.00           C  
HETATM    4  C   UNL     1       8.281   6.724  -5.673  1.00  0.00           C  
HETATM    5  C   UNL     1       9.196   5.660  -6.289  1.00  0.00           C  
HETATM    6  C   UNL     1      10.342   5.301  -5.340  1.00  0.00           C  
HETATM    7  C   UNL     1      11.284   4.230  -5.899  1.00  0.00           C  
HETATM    8  C   UNL     1      12.415   3.852  -4.941  1.00  0.00           C  
HETATM    9  C   UNL     1      13.364   2.836  -5.577  1.00  0.00           C  
HETATM   10  C   UNL     1      14.512   2.485  -4.644  1.00  0.00           C  
HETATM   11  O   UNL     1       5.542  12.793  -6.903  1.00  0.00           O  
HETATM   12  C   UNL     1       5.904  12.063  -7.816  1.00  0.00           C  
HETATM   13  C   UNL     1       7.287  12.058  -8.427  1.00  0.00           C  
HETATM   14  C   UNL     1       8.391  12.454  -7.445  1.00  0.00           C  
HETATM   15  C   UNL     1       8.585  11.472  -6.282  1.00  0.00           C  
HETATM   16  C   UNL     1       9.667  11.888  -5.286  1.00  0.00           C  
HETATM   17  C   UNL     1       9.782  10.879  -4.140  1.00  0.00           C  
HETATM   18  C   UNL     1      10.888  11.276  -3.160  1.00  0.00           C  
HETATM   19  C   UNL     1      11.026  10.250  -2.032  1.00  0.00           C  
HETATM   20  C   UNL     1      12.110  10.666  -1.035  1.00  0.00           C  
HETATM   21  C   UNL     1      12.269   9.689   0.134  1.00  0.00           C  
HETATM   22  C   UNL     1      13.402  10.065   1.091  1.00  0.00           C  
HETATM   23  C   UNL     1      13.563   9.019   2.197  1.00  0.00           C  
HETATM   24  C   UNL     1      14.673   9.408   3.173  1.00  0.00           C  
HETATM   25  C   UNL     1      14.813   8.389   4.292  1.00  0.00           C  
HETATM   26  C   UNL     1       4.683   9.854  -6.495  1.00  0.00           C  
HETATM   27  O   UNL     1       5.577   8.842  -6.948  1.00  0.00           O  
HETATM   28  C   UNL     1       4.069  10.575  -7.690  1.00  0.00           C  
HETATM   29  O   UNL     1       5.123  11.152  -8.468  1.00  0.00           O  
HETATM   30  C   UNL     1       3.297   9.614  -8.584  1.00  0.00           C  
HETATM   31  O   UNL     1       2.725  10.345  -9.664  1.00  0.00           O  
HETATM   32  H   UNL     1       7.474   7.476  -7.539  1.00  0.00           H  
HETATM   33  H   UNL     1       6.516   6.192  -6.819  1.00  0.00           H  
HETATM   34  H   UNL     1       8.864   7.633  -5.484  1.00  0.00           H  
HETATM   35  H   UNL     1       7.913   6.372  -4.702  1.00  0.00           H  
HETATM   36  H   UNL     1       9.606   6.032  -7.235  1.00  0.00           H  
HETATM   37  H   UNL     1       8.610   4.764  -6.517  1.00  0.00           H  
HETATM   38  H   UNL     1      10.934   6.202  -5.136  1.00  0.00           H  
HETATM   39  H   UNL     1       9.936   4.966  -4.378  1.00  0.00           H  
HETATM   40  H   UNL     1      10.707   3.335  -6.163  1.00  0.00           H  
HETATM   41  H   UNL     1      11.718   4.612  -6.832  1.00  0.00           H  
HETATM   42  H   UNL     1      12.001   3.427  -4.020  1.00  0.00           H  
HETATM   43  H   UNL     1      12.976   4.752  -4.660  1.00  0.00           H  
HETATM   44  H   UNL     1      13.771   3.240  -6.511  1.00  0.00           H  
HETATM   45  H   UNL     1      12.814   1.922  -5.831  1.00  0.00           H  
HETATM   46  H   UNL     1      14.140   2.046  -3.713  1.00  0.00           H  
HETATM   47  H   UNL     1      15.100   3.374  -4.394  1.00  0.00           H  
HETATM   48  H   UNL     1      15.179   1.759  -5.120  1.00  0.00           H  
HETATM   49  H   UNL     1       7.263  12.780  -9.252  1.00  0.00           H  
HETATM   50  H   UNL     1       7.501  11.069  -8.848  1.00  0.00           H  
HETATM   51  H   UNL     1       8.229  13.465  -7.053  1.00  0.00           H  
HETATM   52  H   UNL     1       9.337  12.486  -8.001  1.00  0.00           H  
HETATM   53  H   UNL     1       8.846  10.495  -6.707  1.00  0.00           H  
HETATM   54  H   UNL     1       7.632  11.338  -5.755  1.00  0.00           H  
HETATM   55  H   UNL     1      10.632  11.967  -5.801  1.00  0.00           H  
HETATM   56  H   UNL     1       9.433  12.873  -4.868  1.00  0.00           H  
HETATM   57  H   UNL     1       8.825  10.816  -3.609  1.00  0.00           H  
HETATM   58  H   UNL     1       9.993   9.883  -4.547  1.00  0.00           H  
HETATM   59  H   UNL     1      10.665  12.262  -2.734  1.00  0.00           H  
HETATM   60  H   UNL     1      11.840  11.362  -3.696  1.00  0.00           H  
HETATM   61  H   UNL     1      11.272   9.269  -2.456  1.00  0.00           H  
HETATM   62  H   UNL     1      10.062  10.151  -1.520  1.00  0.00           H  
HETATM   63  H   UNL     1      11.893  11.669  -0.649  1.00  0.00           H  
HETATM   64  H   UNL     1      13.072  10.730  -1.559  1.00  0.00           H  
HETATM   65  H   UNL     1      11.324   9.620   0.687  1.00  0.00           H  
HETATM   66  H   UNL     1      12.466   8.692  -0.279  1.00  0.00           H  
HETATM   67  H   UNL     1      14.341  10.156   0.533  1.00  0.00           H  
HETATM   68  H   UNL     1      13.200  11.040   1.549  1.00  0.00           H  
HETATM   69  H   UNL     1      13.793   8.044   1.750  1.00  0.00           H  
HETATM   70  H   UNL     1      12.616   8.911   2.740  1.00  0.00           H  
HETATM   71  H   UNL     1      15.627   9.490   2.640  1.00  0.00           H  
HETATM   72  H   UNL     1      14.458  10.392   3.608  1.00  0.00           H  
HETATM   73  H   UNL     1      15.612   8.686   4.978  1.00  0.00           H  
HETATM   74  H   UNL     1      13.885   8.306   4.867  1.00  0.00           H  
HETATM   75  H   UNL     1      15.059   7.399   3.893  1.00  0.00           H  
HETATM   76  H   UNL     1       3.917   9.376  -5.876  1.00  0.00           H  
HETATM   77  H   UNL     1       5.261  10.544  -5.872  1.00  0.00           H  
HETATM   78  H   UNL     1       3.427  11.401  -7.366  1.00  0.00           H  
HETATM   79  H   UNL     1       2.481   9.130  -8.036  1.00  0.00           H  
HETATM   80  H   UNL     1       3.958   8.849  -9.005  1.00  0.00           H  
HETATM   81  H   UNL     1       3.460  10.613 -10.237  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   27                                       
CONECT    3    2    4   32   33                                       
CONECT    4    3    5   34   35                                       
CONECT    5    4    6   36   37                                       
CONECT    6    5    7   38   39                                       
CONECT    7    6    8   40   41                                       
CONECT    8    7    9   42   43                                       
CONECT    9    8   10   44   45                                       
CONECT   10    9   46   47   48                                       
CONECT   11   12   12                                                 
CONECT   12   11   11   13   29                                       
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   51   52                                       
CONECT   15   14   16   53   54                                       
CONECT   16   15   17   55   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   19   59   60                                       
CONECT   19   18   20   61   62                                       
CONECT   20   19   21   63   64                                       
CONECT   21   20   22   65   66                                       
CONECT   22   21   23   67   68                                       
CONECT   23   22   24   69   70                                       
CONECT   24   23   25   71   72                                       
CONECT   25   24   73   74   75                                       
CONECT   26   27   28   76   77                                       
CONECT   27    2   26                                                 
CONECT   28   26   29   30   78                                       
CONECT   29   12   28                                                 
CONECT   30   28   31   79   80                                       
CONECT   31   30   81                                                 
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
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   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   28                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
