COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.017   0.655   0.028  1.00  0.00           C  
HETATM    2  C   UNL     1       5.554   1.398   1.282  1.00  0.00           C  
HETATM    3  C   UNL     1       5.356   2.879   0.953  1.00  0.00           C  
HETATM    4  C   UNL     1       6.679   3.475   0.467  1.00  0.00           C  
HETATM    5  C   UNL     1       7.142   2.731  -0.787  1.00  0.00           C  
HETATM    6  C   UNL     1       7.340   1.250  -0.458  1.00  0.00           C  
HETATM    7  C   UNL     1       4.960   0.796  -1.069  1.00  0.00           C  
HETATM    8  C   UNL     1       4.299   3.021  -0.144  1.00  0.00           C  
HETATM    9  C   UNL     1       6.085   2.873  -1.885  1.00  0.00           C  
HETATM   10  C   UNL     1       4.763   2.277  -1.398  1.00  0.00           C  
HETATM   11  C   UNL     1       6.215  -0.826   0.358  1.00  0.00           C  
HETATM   12  C   UNL     1       4.943  -1.399   0.825  1.00  0.00           C  
HETATM   13  O   UNL     1       6.648  -1.521  -0.814  1.00  0.00           O  
HETATM   14  C   UNL     1       3.928  -1.856   1.198  1.00  0.00           C  
HETATM   15  C   UNL     1       2.655  -2.429   1.666  1.00  0.00           C  
HETATM   16  C   UNL     1       1.598  -2.287   0.569  1.00  0.00           C  
HETATM   17  C   UNL     1       2.002  -3.133  -0.641  1.00  0.00           C  
HETATM   18  C   UNL     1       0.245  -2.768   1.098  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.828  -2.603   0.034  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.115  -2.337   0.865  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.609  -1.308   1.878  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.217  -1.879   2.282  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.110  -3.767  -0.887  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.145  -3.298  -1.924  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.438  -2.827  -1.262  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.143  -1.874  -0.124  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.521  -1.360  -0.803  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.746  -0.696  -0.008  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.740  -0.277  -1.008  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.419   0.853  -0.838  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.524   1.238  -1.794  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.807   1.477  -0.989  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.488   2.399   0.166  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.382   2.014   1.122  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.103   1.772   0.320  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.155   3.514   0.332  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.170   3.070   2.061  1.00  0.00           O  
HETATM   38  O   UNL     1      -8.297   0.232  -0.486  1.00  0.00           O  
HETATM   39  H   UNL     1       4.611   0.974   1.629  1.00  0.00           H  
HETATM   40  H   UNL     1       6.306   1.298   2.064  1.00  0.00           H  
HETATM   41  H   UNL     1       5.025   3.409   1.846  1.00  0.00           H  
HETATM   42  H   UNL     1       6.538   4.530   0.232  1.00  0.00           H  
HETATM   43  H   UNL     1       7.431   3.374   1.248  1.00  0.00           H  
HETATM   44  H   UNL     1       8.085   3.155  -1.134  1.00  0.00           H  
HETATM   45  H   UNL     1       8.093   1.149   0.324  1.00  0.00           H  
HETATM   46  H   UNL     1       7.671   0.720  -1.351  1.00  0.00           H  
HETATM   47  H   UNL     1       5.291   0.266  -1.962  1.00  0.00           H  
HETATM   48  H   UNL     1       4.018   0.372  -0.723  1.00  0.00           H  
HETATM   49  H   UNL     1       3.356   2.597   0.202  1.00  0.00           H  
HETATM   50  H   UNL     1       4.158   4.076  -0.379  1.00  0.00           H  
HETATM   51  H   UNL     1       5.944   3.928  -2.119  1.00  0.00           H  
HETATM   52  H   UNL     1       6.416   2.343  -2.778  1.00  0.00           H  
HETATM   53  H   UNL     1       4.010   2.378  -2.180  1.00  0.00           H  
HETATM   54  H   UNL     1       6.968  -0.927   1.139  1.00  0.00           H  
HETATM   55  H   UNL     1       6.026  -1.474  -1.552  1.00  0.00           H  
HETATM   56  H   UNL     1       2.796  -3.484   1.901  1.00  0.00           H  
HETATM   57  H   UNL     1       2.324  -1.899   2.559  1.00  0.00           H  
HETATM   58  H   UNL     1       1.521  -1.242   0.272  1.00  0.00           H  
HETATM   59  H   UNL     1       2.079  -4.179  -0.343  1.00  0.00           H  
HETATM   60  H   UNL     1       1.249  -3.032  -1.422  1.00  0.00           H  
HETATM   61  H   UNL     1       2.966  -2.790  -1.018  1.00  0.00           H  
HETATM   62  H   UNL     1       0.311  -3.810   1.411  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.447  -3.245   1.369  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.506  -0.328   1.414  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.271  -1.260   2.743  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.306  -2.476   3.189  1.00  0.00           H  
HETATM   67  H   UNL     1       0.491  -1.064   2.436  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.193  -4.072  -1.391  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.513  -4.603  -0.314  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.721  -2.476  -2.501  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.372  -4.124  -2.598  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.059  -2.325  -2.003  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.975  -3.690  -0.869  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.374  -1.133  -1.444  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.329  -0.515  -0.142  1.00  0.00           H  
HETATM   76  H   UNL     1       0.357  -1.545  -1.421  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.506  -0.046   0.820  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.919  -0.888  -1.881  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.248   2.151  -2.323  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.684   0.434  -2.512  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.561   1.935  -1.629  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.658   1.101   1.651  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.351   1.311   0.960  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.728   2.721  -0.065  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.917   4.167   1.159  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.943   3.781  -0.357  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.947   3.283   2.595  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.108   0.310   0.034  1.00  0.00           H  
CONECT    1    7    2   11    6                                       
CONECT    2    3    1   39   40                                       
CONECT    3    8    2    4   41                                       
CONECT    4    3    5   42   43                                       
CONECT    5    9    4    6   44                                       
CONECT    6    1    5   45   46                                       
CONECT    7   10    1   47   48                                       
CONECT    8   10    3   49   50                                       
CONECT    9   10    5   51   52                                       
CONECT   10    8    7    9   53                                       
CONECT   11    1   12   13   54                                       
CONECT   12   11   14   14   14                                       
CONECT   13   11   55                                                 
CONECT   14   12   12   12   15                                       
CONECT   15   16   14   56   57                                       
CONECT   16   18   15   17   58                                       
CONECT   17   16   59   60   61                                       
CONECT   18   22   19   16   62                                       
CONECT   19   27   20   23   18                                       
CONECT   20   26   21   19   63                                       
CONECT   21   20   22   64   65                                       
CONECT   22   21   18   66   67                                       
CONECT   23   24   19   68   69                                       
CONECT   24   25   23   70   71                                       
CONECT   25   26   24   72   73                                       
CONECT   26   28   28   25   20                                       
CONECT   27   19   74   75   76                                       
CONECT   28   29   26   26   77                                       
CONECT   29   30   30   28   78                                       
CONECT   30   35   31   29   29                                       
CONECT   31   32   30   79   80                                       
CONECT   32   33   38   31   81                                       
CONECT   33   36   36   34   32                                       
CONECT   34   37   33   35   82                                       
CONECT   35   34   30   83   84                                       
CONECT   36   33   33   85   86                                       
CONECT   37   34   87                                                 
CONECT   38   32   88                                                 
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
