COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.652  -0.135   2.090  1.00  0.00           C  
HETATM    2  C   UNL     1       7.492   0.700   1.612  1.00  0.00           C  
HETATM    3  O   UNL     1       7.416   1.863   1.927  1.00  0.00           O  
HETATM    4  C   UNL     1       6.429   0.084   0.740  1.00  0.00           C  
HETATM    5  C   UNL     1       5.375   1.140   0.398  1.00  0.00           C  
HETATM    6  C   UNL     1       4.366   0.551  -0.592  1.00  0.00           C  
HETATM    7  C   UNL     1       3.614  -0.562   0.115  1.00  0.00           C  
HETATM    8  O   UNL     1       2.845  -0.247   0.996  1.00  0.00           O  
HETATM    9  N   UNL     1       3.832  -1.844  -0.272  1.00  0.00           N  
HETATM   10  C   UNL     1       3.204  -2.938   0.483  1.00  0.00           C  
HETATM   11  C   UNL     1       3.480  -2.835   1.980  1.00  0.00           C  
HETATM   12  C   UNL     1       2.677  -3.906   2.722  1.00  0.00           C  
HETATM   13  C   UNL     1       4.973  -3.046   2.239  1.00  0.00           C  
HETATM   14  C   UNL     1       1.718  -2.969   0.203  1.00  0.00           C  
HETATM   15  N   UNL     1       0.902  -1.951   0.548  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.452  -1.883  -0.041  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.374  -2.042  -1.560  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.751  -1.889  -2.153  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.255  -0.627  -2.410  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.518  -0.483  -2.954  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.279  -1.599  -3.242  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.775  -2.866  -2.985  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.522  -3.966  -3.268  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.506  -3.008  -2.445  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.331  -2.939   0.564  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.816  -3.864   1.181  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.669  -2.904   0.454  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.471  -3.995   1.020  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.667  -3.373   1.758  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.306  -1.913   2.053  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.187  -1.150   0.738  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.309  -1.879  -0.211  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.615   0.218   0.992  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.727   0.349   1.801  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.078   1.285   0.335  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.510   2.575   0.655  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.830   3.174  -0.581  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.375   3.422  -0.260  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.480   3.510  -1.236  1.00  0.00           C  
HETATM   40  C   UNL     1       0.941   3.743  -0.933  1.00  0.00           C  
HETATM   41  C   UNL     1       1.822   3.821  -1.921  1.00  0.00           C  
HETATM   42  C   UNL     1       3.280   4.036  -1.632  1.00  0.00           C  
HETATM   43  O   UNL     1       3.802   5.035  -2.513  1.00  0.00           O  
HETATM   44  C   UNL     1       4.054   2.726  -1.834  1.00  0.00           C  
HETATM   45  C   UNL     1       4.040   2.357  -3.321  1.00  0.00           C  
HETATM   46  C   UNL     1       3.368   1.622  -1.026  1.00  0.00           C  
HETATM   47  O   UNL     1       2.351   1.012  -1.829  1.00  0.00           O  
HETATM   48  C   UNL     1      -4.606   3.503   1.116  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.810   3.739   0.241  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.511   4.104   2.276  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.606   5.032   2.736  1.00  0.00           C  
HETATM   52  O   UNL     1      -5.918   4.759   4.103  1.00  0.00           O  
HETATM   53  O   UNL     1       1.270  -3.973  -0.319  1.00  0.00           O  
HETATM   54  H   UNL     1       8.397  -0.599   3.043  1.00  0.00           H  
HETATM   55  H   UNL     1       8.869  -0.910   1.355  1.00  0.00           H  
HETATM   56  H   UNL     1       9.529   0.499   2.218  1.00  0.00           H  
HETATM   57  H   UNL     1       6.883  -0.287  -0.179  1.00  0.00           H  
HETATM   58  H   UNL     1       5.957  -0.742   1.271  1.00  0.00           H  
HETATM   59  H   UNL     1       4.857   1.444   1.307  1.00  0.00           H  
HETATM   60  H   UNL     1       5.861   2.006  -0.051  1.00  0.00           H  
HETATM   61  H   UNL     1       4.881   0.141  -1.450  1.00  0.00           H  
HETATM   62  H   UNL     1       4.403  -2.036  -1.050  1.00  0.00           H  
HETATM   63  H   UNL     1       3.626  -3.893   0.123  1.00  0.00           H  
HETATM   64  H   UNL     1       3.185  -1.848   2.336  1.00  0.00           H  
HETATM   65  H   UNL     1       2.972  -4.893   2.366  1.00  0.00           H  
HETATM   66  H   UNL     1       2.874  -3.832   3.792  1.00  0.00           H  
HETATM   67  H   UNL     1       1.613  -3.755   2.538  1.00  0.00           H  
HETATM   68  H   UNL     1       5.241  -4.074   1.998  1.00  0.00           H  
HETATM   69  H   UNL     1       5.550  -2.364   1.615  1.00  0.00           H  
HETATM   70  H   UNL     1       5.191  -2.849   3.289  1.00  0.00           H  
HETATM   71  H   UNL     1       1.175  -1.275   1.199  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.859  -0.894   0.186  1.00  0.00           H  
HETATM   73  H   UNL     1       0.287  -1.279  -1.972  1.00  0.00           H  
HETATM   74  H   UNL     1       0.018  -3.030  -1.802  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.662   0.247  -2.185  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.910   0.503  -3.154  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.266  -1.486  -3.666  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.391  -4.311  -4.162  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.109  -3.994  -2.247  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.827  -4.637   0.213  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.873  -4.582   1.716  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.554  -3.411   1.125  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.853  -3.904   2.694  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.096  -1.466   2.663  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.368  -1.871   2.599  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.173  -1.061   0.283  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.525  -1.171  -0.333  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.774   2.468   1.453  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.907   2.475  -1.414  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.315   4.114  -0.846  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.057   3.530   0.766  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.784   3.410  -2.266  1.00  0.00           H  
HETATM   93  H   UNL     1       1.249   3.850   0.099  1.00  0.00           H  
HETATM   94  H   UNL     1       1.487   3.734  -2.950  1.00  0.00           H  
HETATM   95  H   UNL     1       3.401   4.367  -0.600  1.00  0.00           H  
HETATM   96  H   UNL     1       3.366   5.895  -2.434  1.00  0.00           H  
HETATM   97  H   UNL     1       5.081   2.869  -1.513  1.00  0.00           H  
HETATM   98  H   UNL     1       4.597   3.105  -3.886  1.00  0.00           H  
HETATM   99  H   UNL     1       4.504   1.380  -3.457  1.00  0.00           H  
HETATM  100  H   UNL     1       3.011   2.324  -3.678  1.00  0.00           H  
HETATM  101  H   UNL     1       2.902   2.062  -0.140  1.00  0.00           H  
HETATM  102  H   UNL     1       1.714   1.637  -2.201  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.581   3.006   0.479  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.197   4.743   0.418  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.524   3.639  -0.806  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.648   3.936   2.902  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.273   6.065   2.638  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.494   4.878   2.123  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.617   5.320   4.467  1.00  0.00           H  
CONECT    1    2   54   55   56                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   57   58                                       
CONECT    5    4    6   59   60                                       
CONECT    6    5    7   46   61                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   62                                            
CONECT   10    9   11   14   63                                       
CONECT   11   10   12   13   64                                       
CONECT   12   11   65   66   67                                       
CONECT   13   11   68   69   70                                       
CONECT   14   10   15   53   53                                       
CONECT   15   14   16   71                                            
CONECT   16   15   17   25   72                                       
CONECT   17   16   18   73   74                                       
CONECT   18   17   19   19   24                                       
CONECT   19   18   18   20   75                                       
CONECT   20   19   21   21   76                                       
CONECT   21   20   20   22   77                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22   78                                                 
CONECT   24   18   22   22   79                                       
CONECT   25   16   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   32                                            
CONECT   28   27   29   80   81                                       
CONECT   29   28   30   82   83                                       
CONECT   30   29   31   84   85                                       
CONECT   31   30   32   33   86                                       
CONECT   32   27   31   87                                            
CONECT   33   31   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36                                                 
CONECT   36   35   37   48   88                                       
CONECT   37   36   38   89   90                                       
CONECT   38   37   39   39   91                                       
CONECT   39   38   38   40   92                                       
CONECT   40   39   41   41   93                                       
CONECT   41   40   40   42   94                                       
CONECT   42   41   43   44   95                                       
CONECT   43   42   96                                                 
CONECT   44   42   45   46   97                                       
CONECT   45   44   98   99  100                                       
CONECT   46    6   44   47  101                                       
CONECT   47   46  102                                                 
CONECT   48   36   49   50   50                                       
CONECT   49   48  103  104  105                                       
CONECT   50   48   48   51  106                                       
CONECT   51   50   52  107  108                                       
CONECT   52   51  109                                                 
CONECT   53   14   14                                                 
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   15                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   49                                                      
CONECT  104   49                                                      
CONECT  105   49                                                      
CONECT  106   50                                                      
CONECT  107   51                                                      
CONECT  108   51                                                      
CONECT  109   52                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
