COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      17.012   3.747   0.369  1.00  0.00           C  
HETATM    2  O   UNL     1      16.529   2.402   0.372  1.00  0.00           O  
HETATM    3  C   UNL     1      16.271   1.874  -0.930  1.00  0.00           C  
HETATM    4  C   UNL     1      15.214   2.732  -1.628  1.00  0.00           C  
HETATM    5  C   UNL     1      17.562   1.888  -1.751  1.00  0.00           C  
HETATM    6  C   UNL     1      15.761   0.437  -0.806  1.00  0.00           C  
HETATM    7  C   UNL     1      14.407   0.436  -0.093  1.00  0.00           C  
HETATM    8  C   UNL     1      13.897  -1.001   0.031  1.00  0.00           C  
HETATM    9  C   UNL     1      12.564  -1.002   0.733  1.00  0.00           C  
HETATM   10  C   UNL     1      12.505  -1.004   2.239  1.00  0.00           C  
HETATM   11  C   UNL     1      11.433  -1.001   0.020  1.00  0.00           C  
HETATM   12  C   UNL     1      10.179  -1.002   0.680  1.00  0.00           C  
HETATM   13  C   UNL     1       9.029  -1.001  -0.045  1.00  0.00           C  
HETATM   14  C   UNL     1       7.785  -1.002   0.609  1.00  0.00           C  
HETATM   15  C   UNL     1       7.726  -1.004   2.115  1.00  0.00           C  
HETATM   16  C   UNL     1       6.631  -1.001  -0.119  1.00  0.00           C  
HETATM   17  C   UNL     1       5.390  -1.002   0.534  1.00  0.00           C  
HETATM   18  C   UNL     1       4.226  -1.001  -0.201  1.00  0.00           C  
HETATM   19  C   UNL     1       2.987  -1.002   0.451  1.00  0.00           C  
HETATM   20  C   UNL     1       2.928  -1.004   1.956  1.00  0.00           C  
HETATM   21  C   UNL     1       1.821  -1.001  -0.285  1.00  0.00           C  
HETATM   22  C   UNL     1       0.583  -1.002   0.366  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.583  -1.001  -0.369  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.821  -1.002   0.282  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.987  -1.000  -0.453  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.928  -0.998  -1.959  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.226  -1.001   0.199  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.390  -1.000  -0.536  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.631  -1.001   0.116  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.785  -1.000  -0.612  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.726  -0.998  -2.118  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.029  -1.001   0.043  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.179  -1.000  -0.683  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.433  -1.001  -0.022  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.564  -1.000  -0.735  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.505  -0.998  -2.241  1.00  0.00           C  
HETATM   37  C   UNL     1     -13.897  -1.001  -0.034  1.00  0.00           C  
HETATM   38  C   UNL     1     -14.407   0.436   0.094  1.00  0.00           C  
HETATM   39  C   UNL     1     -15.761   0.435   0.807  1.00  0.00           C  
HETATM   40  C   UNL     1     -16.271   1.872   0.935  1.00  0.00           C  
HETATM   41  C   UNL     1     -17.562   1.883   1.756  1.00  0.00           C  
HETATM   42  C   UNL     1     -15.214   2.727   1.636  1.00  0.00           C  
HETATM   43  O   UNL     1     -16.529   2.403  -0.366  1.00  0.00           O  
HETATM   44  C   UNL     1     -17.012   3.748  -0.359  1.00  0.00           C  
HETATM   45  H   UNL     1      17.947   3.796  -0.189  1.00  0.00           H  
HETATM   46  H   UNL     1      16.274   4.397  -0.102  1.00  0.00           H  
HETATM   47  H   UNL     1      17.183   4.075   1.394  1.00  0.00           H  
HETATM   48  H   UNL     1      15.577   3.756  -1.717  1.00  0.00           H  
HETATM   49  H   UNL     1      15.017   2.329  -2.622  1.00  0.00           H  
HETATM   50  H   UNL     1      14.294   2.722  -1.043  1.00  0.00           H  
HETATM   51  H   UNL     1      18.315   1.277  -1.254  1.00  0.00           H  
HETATM   52  H   UNL     1      17.365   1.485  -2.745  1.00  0.00           H  
HETATM   53  H   UNL     1      17.925   2.912  -1.840  1.00  0.00           H  
HETATM   54  H   UNL     1      15.649   0.004  -1.800  1.00  0.00           H  
HETATM   55  H   UNL     1      16.475  -0.153  -0.231  1.00  0.00           H  
HETATM   56  H   UNL     1      14.519   0.869   0.901  1.00  0.00           H  
HETATM   57  H   UNL     1      13.694   1.026  -0.668  1.00  0.00           H  
HETATM   58  H   UNL     1      13.785  -1.434  -0.963  1.00  0.00           H  
HETATM   59  H   UNL     1      14.611  -1.591   0.606  1.00  0.00           H  
HETATM   60  H   UNL     1      12.491   0.023   2.603  1.00  0.00           H  
HETATM   61  H   UNL     1      11.601  -1.518   2.566  1.00  0.00           H  
HETATM   62  H   UNL     1      13.380  -1.518   2.636  1.00  0.00           H  
HETATM   63  H   UNL     1      11.476  -1.000  -1.059  1.00  0.00           H  
HETATM   64  H   UNL     1      10.137  -1.003   1.759  1.00  0.00           H  
HETATM   65  H   UNL     1       9.071  -1.000  -1.125  1.00  0.00           H  
HETATM   66  H   UNL     1       7.712   0.023   2.480  1.00  0.00           H  
HETATM   67  H   UNL     1       6.823  -1.518   2.443  1.00  0.00           H  
HETATM   68  H   UNL     1       8.601  -1.518   2.512  1.00  0.00           H  
HETATM   69  H   UNL     1       6.673  -0.999  -1.198  1.00  0.00           H  
HETATM   70  H   UNL     1       5.348  -1.003   1.613  1.00  0.00           H  
HETATM   71  H   UNL     1       4.268  -0.999  -1.280  1.00  0.00           H  
HETATM   72  H   UNL     1       2.914   0.023   2.321  1.00  0.00           H  
HETATM   73  H   UNL     1       2.024  -1.518   2.284  1.00  0.00           H  
HETATM   74  H   UNL     1       3.803  -1.518   2.354  1.00  0.00           H  
HETATM   75  H   UNL     1       1.863  -0.999  -1.364  1.00  0.00           H  
HETATM   76  H   UNL     1       0.541  -1.003   1.446  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.541  -0.999  -1.448  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.863  -1.003   1.361  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.914  -2.026  -2.323  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.803  -0.484  -2.356  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.024  -0.484  -2.287  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.268  -1.003   1.278  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.348  -0.999  -1.615  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.673  -1.003   1.196  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.712  -2.026  -2.482  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.601  -0.484  -2.515  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.823  -0.484  -2.445  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.071  -1.003   1.122  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.137  -0.999  -1.762  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.476  -1.003   1.057  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.491  -2.025  -2.606  1.00  0.00           H  
HETATM   92  H   UNL     1     -13.380  -0.484  -2.638  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.601  -0.484  -2.569  1.00  0.00           H  
HETATM   94  H   UNL     1     -14.611  -1.590  -0.610  1.00  0.00           H  
HETATM   95  H   UNL     1     -13.694   1.024   0.671  1.00  0.00           H  
HETATM   96  H   UNL     1     -16.475  -0.154   0.231  1.00  0.00           H  
HETATM   97  H   UNL     1     -15.649  -0.001   1.800  1.00  0.00           H  
HETATM   98  H   UNL     1     -18.315   1.274   1.257  1.00  0.00           H  
HETATM   99  H   UNL     1     -17.365   1.478   2.749  1.00  0.00           H  
HETATM  100  H   UNL     1     -17.925   2.907   1.847  1.00  0.00           H  
HETATM  101  H   UNL     1     -15.577   3.751   1.727  1.00  0.00           H  
HETATM  102  H   UNL     1     -15.017   2.322   2.628  1.00  0.00           H  
HETATM  103  H   UNL     1     -14.294   2.719   1.051  1.00  0.00           H  
HETATM  104  H   UNL     1     -17.947   3.796   0.199  1.00  0.00           H  
HETATM  105  H   UNL     1     -16.274   4.397   0.113  1.00  0.00           H  
HETATM  106  H   UNL     1     -17.183   4.078  -1.383  1.00  0.00           H  
HETATM  107  H   UNL     1     -13.785  -1.437   0.959  1.00  0.00           H  
HETATM  108  H   UNL     1     -14.519   0.871  -0.898  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    1    3                                                 
CONECT    3    2    5    6    4                                       
CONECT    4    3   48   49   50                                       
CONECT    5    3   51   52   53                                       
CONECT    6    7    3   54   55                                       
CONECT    7    8    6   56   57                                       
CONECT    8    9    7   58   59                                       
CONECT    9   10    8   11   11                                       
CONECT   10    9   60   61   62                                       
CONECT   11    9    9   12   63                                       
CONECT   12   11   13   13   64                                       
CONECT   13   12   12   14   65                                       
CONECT   14   15   13   16   16                                       
CONECT   15   14   66   67   68                                       
CONECT   16   14   14   17   69                                       
CONECT   17   16   18   18   70                                       
CONECT   18   17   17   19   71                                       
CONECT   19   20   18   21   21                                       
CONECT   20   19   72   73   74                                       
CONECT   21   19   19   22   75                                       
CONECT   22   21   23   23   76                                       
CONECT   23   22   22   24   77                                       
CONECT   24   23   25   25   78                                       
CONECT   25   24   24   27   26                                       
CONECT   26   25   79   80   81                                       
CONECT   27   25   28   28   82                                       
CONECT   28   27   27   29   83                                       
CONECT   29   30   30   28   84                                       
CONECT   30   32   29   29   31                                       
CONECT   31   30   85   86   87                                       
CONECT   32   33   33   30   88                                       
CONECT   33   34   32   32   89                                       
CONECT   34   35   35   33   90                                       
CONECT   35   37   34   34   36                                       
CONECT   36   35   91   92   93                                       
CONECT   37   38   35   94  107                                       
CONECT   38   39   37   95  108                                       
CONECT   39   40   38   96   97                                       
CONECT   40   42   43   41   39                                       
CONECT   41   40   98   99  100                                       
CONECT   42   40  101  102  103                                       
CONECT   43   40   44                                                 
CONECT   44   43  104  105  106                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   41                                                      
CONECT   99   41                                                      
CONECT  100   41                                                      
CONECT  101   42                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   44                                                      
CONECT  105   44                                                      
CONECT  106   44                                                      
CONECT  107   37                                                      
CONECT  108   38                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
