COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.671   3.299   1.260  1.00  0.00           C  
HETATM    2  C   UNL     1       1.579   5.960   0.571  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.082   1.283   0.091  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.742   0.209   0.960  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.964   2.811   1.936  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.353   4.228   2.364  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.646   5.240   1.457  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.276   0.380   2.409  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.617   1.798   2.879  1.00  0.00           C  
HETATM   10  C   UNL     1       0.866   5.005   1.531  1.00  0.00           C  
HETATM   11  C   UNL     1       1.169   3.559   1.132  1.00  0.00           C  
HETATM   12  O   UNL     1       0.457   2.669   1.995  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.413   2.576   0.600  1.00  0.00           O  
HETATM   14  C   UNL     1       2.898   1.884   1.727  1.00  0.00           C  
HETATM   15  C   UNL     1       3.539   1.021   0.945  1.00  0.00           C  
HETATM   16  C   UNL     1       3.464  -0.421   1.225  1.00  0.00           C  
HETATM   17  C   UNL     1       4.343   1.520  -0.228  1.00  0.00           C  
HETATM   18  C   UNL     1       3.660  -1.299   0.248  1.00  0.00           C  
HETATM   19  C   UNL     1       3.473  -2.772   0.508  1.00  0.00           C  
HETATM   20  C   UNL     1       2.473  -3.345  -0.498  1.00  0.00           C  
HETATM   21  C   UNL     1       2.100  -4.747  -0.092  1.00  0.00           C  
HETATM   22  C   UNL     1       0.831  -5.047   0.176  1.00  0.00           C  
HETATM   23  O   UNL     1       4.727  -3.443   0.369  1.00  0.00           O  
HETATM   24  C   UNL     1       3.107  -3.369  -1.890  1.00  0.00           C  
HETATM   25  C   UNL     1       0.414   1.101   0.116  1.00  0.00           C  
HETATM   26  C   UNL     1       1.049   0.640  -0.964  1.00  0.00           C  
HETATM   27  C   UNL     1       2.177   1.385  -1.522  1.00  0.00           C  
HETATM   28  C   UNL     1       2.814   0.924  -2.622  1.00  0.00           C  
HETATM   29  C   UNL     1       2.630   2.667  -0.871  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.338  -1.178   0.454  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.185   0.350   0.893  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.902  -2.247   1.393  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.614  -3.634   0.816  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.177  -4.703   1.754  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.764   0.127  -0.298  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.242   0.363  -0.473  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.644   0.037  -1.913  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.100  -0.262  -1.229  1.00  0.00           O  
HETATM   39  C   UNL     1       0.467  -6.414   0.572  1.00  0.00           C  
HETATM   40  O   UNL     1       1.324  -7.272   0.655  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.818  -6.718   0.844  1.00  0.00           O  
HETATM   42  C   UNL     1       3.500   1.825  -3.475  1.00  0.00           C  
HETATM   43  O   UNL     1       4.053   1.381  -4.623  1.00  0.00           O  
HETATM   44  O   UNL     1       3.590   3.000  -3.172  1.00  0.00           O  
HETATM   45  C   UNL     1      -7.122   0.273  -2.088  1.00  0.00           C  
HETATM   46  O   UNL     1      -7.786   0.662  -1.156  1.00  0.00           O  
HETATM   47  O   UNL     1      -7.701   0.051  -3.278  1.00  0.00           O  
HETATM   48  H   UNL     1       3.148   3.442   0.290  1.00  0.00           H  
HETATM   49  H   UNL     1       3.101   3.993   1.982  1.00  0.00           H  
HETATM   50  H   UNL     1       1.357   6.990   0.851  1.00  0.00           H  
HETATM   51  H   UNL     1       2.654   5.793   0.624  1.00  0.00           H  
HETATM   52  H   UNL     1       1.232   5.779  -0.447  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.441   1.192  -0.934  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.432   4.352   2.275  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.051   4.392   3.398  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.986   5.110   0.430  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.875   6.252   1.793  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.784  -0.346   3.044  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.199   0.224   2.467  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.240   1.947   3.891  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.698   1.935   2.869  1.00  0.00           H  
HETATM   62  H   UNL     1       1.213   5.184   2.548  1.00  0.00           H  
HETATM   63  H   UNL     1       0.858   3.393   0.101  1.00  0.00           H  
HETATM   64  H   UNL     1       2.540   1.571   2.696  1.00  0.00           H  
HETATM   65  H   UNL     1       3.250  -0.766   2.226  1.00  0.00           H  
HETATM   66  H   UNL     1       5.367   1.713   0.089  1.00  0.00           H  
HETATM   67  H   UNL     1       4.342   0.766  -1.016  1.00  0.00           H  
HETATM   68  H   UNL     1       3.899   2.441  -0.607  1.00  0.00           H  
HETATM   69  H   UNL     1       3.954  -0.957  -0.734  1.00  0.00           H  
HETATM   70  H   UNL     1       3.094  -2.916   1.520  1.00  0.00           H  
HETATM   71  H   UNL     1       1.579  -2.721  -0.517  1.00  0.00           H  
HETATM   72  H   UNL     1       2.862  -5.509  -0.019  1.00  0.00           H  
HETATM   73  H   UNL     1       0.069  -4.285   0.103  1.00  0.00           H  
HETATM   74  H   UNL     1       5.087  -3.421  -0.529  1.00  0.00           H  
HETATM   75  H   UNL     1       2.367  -3.693  -2.621  1.00  0.00           H  
HETATM   76  H   UNL     1       3.458  -2.369  -2.147  1.00  0.00           H  
HETATM   77  H   UNL     1       3.949  -4.061  -1.894  1.00  0.00           H  
HETATM   78  H   UNL     1       0.972   1.343   1.009  1.00  0.00           H  
HETATM   79  H   UNL     1       0.729  -0.282  -1.425  1.00  0.00           H  
HETATM   80  H   UNL     1       2.801  -0.132  -2.851  1.00  0.00           H  
HETATM   81  H   UNL     1       3.173   2.437   0.046  1.00  0.00           H  
HETATM   82  H   UNL     1       3.283   3.210  -1.554  1.00  0.00           H  
HETATM   83  H   UNL     1       1.761   3.281  -0.634  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.737  -1.328  -0.549  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.251  -1.253   0.428  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.431  -2.155   2.371  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.978  -2.111   1.493  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.084  -3.726  -0.163  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.537  -3.770   0.716  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.972  -5.692   1.344  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.706  -4.612   2.733  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.254  -4.568   1.855  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.796  -0.278   0.213  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.471   1.407  -0.259  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.090   0.678  -2.599  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.415  -1.007  -2.126  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.009  -7.630   1.100  1.00  0.00           H  
HETATM   98  H   UNL     1       4.431   2.079  -5.174  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.651   0.216  -3.342  1.00  0.00           H  
CONECT    1   11   14   48   49                                       
CONECT    2   10   50   51   52                                       
CONECT    3    4   13   25   53                                       
CONECT    4    8   31   30    3                                       
CONECT    5    9    6   12   13                                       
CONECT    6    5    7   54   55                                       
CONECT    7    6   10   56   57                                       
CONECT    8    9    4   58   59                                       
CONECT    9    8    5   60   61                                       
CONECT   10    7   11    2   62                                       
CONECT   11   12   10    1   63                                       
CONECT   12    5   11                                                 
CONECT   13    5    3                                                 
CONECT   14    1   15   15   64                                       
CONECT   15   17   14   14   16                                       
CONECT   16   15   18   18   65                                       
CONECT   17   15   66   67   68                                       
CONECT   18   16   16   19   69                                       
CONECT   19   18   20   23   70                                       
CONECT   20   21   24   19   71                                       
CONECT   21   22   22   20   72                                       
CONECT   22   39   21   21   73                                       
CONECT   23   19   74                                                 
CONECT   24   20   75   76   77                                       
CONECT   25    3   26   26   78                                       
CONECT   26   25   25   27   79                                       
CONECT   27   26   29   28   28                                       
CONECT   28   27   27   42   80                                       
CONECT   29   27   81   82   83                                       
CONECT   30   32    4   84   85                                       
CONECT   31    4   35                                                 
CONECT   32   33   30   86   87                                       
CONECT   33   32   34   88   89                                       
CONECT   34   33   90   91   92                                       
CONECT   35   36   31   38   38                                       
CONECT   36   37   35   93   94                                       
CONECT   37   45   36   95   96                                       
CONECT   38   35   35                                                 
CONECT   39   40   40   41   22                                       
CONECT   40   39   39                                                 
CONECT   41   39   97                                                 
CONECT   42   28   44   44   43                                       
CONECT   43   42   98                                                 
CONECT   44   42   42                                                 
CONECT   45   46   46   47   37                                       
CONECT   46   45   45                                                 
CONECT   47   45   99                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   14                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   37                                                      
CONECT   97   41                                                      
CONECT   98   43                                                      
CONECT   99   47                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
