COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      13.379   2.596  -4.025  1.00  0.00           C  
HETATM    2  C   UNL     1      13.265   1.185  -3.438  1.00  0.00           C  
HETATM    3  C   UNL     1      11.822   0.927  -2.999  1.00  0.00           C  
HETATM    4  C   UNL     1      10.010   0.106   0.310  1.00  0.00           C  
HETATM    5  C   UNL     1       9.364  -1.099   0.994  1.00  0.00           C  
HETATM    6  C   UNL     1      10.356  -2.232   0.684  1.00  0.00           C  
HETATM    7  C   UNL     1      10.024  -3.332   1.712  1.00  0.00           C  
HETATM    8  C   UNL     1       8.616  -3.853   1.389  1.00  0.00           C  
HETATM    9  C   UNL     1       7.568  -2.752   1.373  1.00  0.00           C  
HETATM   10  C   UNL     1       7.966  -1.519   0.555  1.00  0.00           C  
HETATM   11  C   UNL     1       6.956  -0.413   0.907  1.00  0.00           C  
HETATM   12  C   UNL     1       5.575  -0.884   0.563  1.00  0.00           C  
HETATM   13  C   UNL     1       5.229  -2.139   0.578  1.00  0.00           C  
HETATM   14  C   UNL     1       6.188  -3.247   0.942  1.00  0.00           C  
HETATM   15  C   UNL     1       5.551  -4.084   2.053  1.00  0.00           C  
HETATM   16  C   UNL     1       4.147  -4.529   1.653  1.00  0.00           C  
HETATM   17  C   UNL     1       3.240  -3.328   1.382  1.00  0.00           C  
HETATM   18  C   UNL     1       3.806  -2.513   0.215  1.00  0.00           C  
HETATM   19  C   UNL     1       0.881  -2.895   1.415  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.469  -3.488   1.004  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.591  -2.529   1.405  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.460  -1.230   0.607  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.400   0.964   0.379  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.559   1.840   0.858  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.479   3.204   0.165  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.114   3.834   0.460  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.010   2.880  -0.004  1.00  0.00           C  
HETATM   28  C   UNL     1       0.357   3.475   0.340  1.00  0.00           C  
HETATM   29  C   UNL     1      11.756  -0.454  -2.336  1.00  0.00           C  
HETATM   30  C   UNL     1      12.705  -0.465  -1.144  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.945  -3.176   1.108  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.306  -2.845   1.360  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.337  -1.926   2.020  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.744  -2.451   1.720  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.931  -2.538   0.203  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.839  -3.434  -0.388  1.00  0.00           C  
HETATM   37  C   UNL     1      12.656  -1.807  -0.399  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.984  -3.478  -1.910  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.274  -2.134  -0.107  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.612  -2.852  -0.295  1.00  0.00           C  
HETATM   41  C   UNL     1     -11.612  -3.570  -1.648  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.341  -2.547  -2.756  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.013  -1.840  -2.473  1.00  0.00           C  
HETATM   44  C   UNL     1      11.723  -1.570   0.775  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.764  -0.775  -3.543  1.00  0.00           C  
HETATM   46  C   UNL     1       6.344  -4.130  -0.295  1.00  0.00           C  
HETATM   47  C   UNL     1      10.090  -2.784  -0.704  1.00  0.00           C  
HETATM   48  C   UNL     1      14.070  -2.118   0.140  1.00  0.00           C  
HETATM   49  C   UNL     1      11.462  -0.059   0.768  1.00  0.00           C  
HETATM   50  C   UNL     1      14.196   1.058  -2.231  1.00  0.00           C  
HETATM   51  O   UNL     1       1.929  -3.791   1.041  1.00  0.00           O  
HETATM   52  O   UNL     1      -2.436  -0.290   1.063  1.00  0.00           O  
HETATM   53  O   UNL     1      -1.161   1.621   0.655  1.00  0.00           O  
HETATM   54  O   UNL     1       1.388   2.643  -0.195  1.00  0.00           O  
HETATM   55  O   UNL     1      -1.999   5.075  -0.240  1.00  0.00           O  
HETATM   56  O   UNL     1      -4.514   4.055   0.661  1.00  0.00           O  
HETATM   57  O   UNL     1      -4.800   1.212   0.531  1.00  0.00           O  
HETATM   58  O   UNL     1      -3.993  -2.330   1.588  1.00  0.00           O  
HETATM   59  O   UNL     1      -5.556  -2.906  -0.046  1.00  0.00           O  
HETATM   60  O   UNL     1      -6.030  -4.394  -2.453  1.00  0.00           O  
HETATM   61  O   UNL     1      -9.215  -3.094  -0.088  1.00  0.00           O  
HETATM   62  O   UNL     1     -10.069  -1.220  -1.187  1.00  0.00           O  
HETATM   63  O   UNL     1      -8.473  -0.196  -3.347  1.00  0.00           O  
HETATM   64  O   UNL     1     -11.267  -3.217  -4.016  1.00  0.00           O  
HETATM   65  O   UNL     1     -12.885  -4.183  -1.864  1.00  0.00           O  
HETATM   66  O   UNL     1     -11.792  -3.808   0.752  1.00  0.00           O  
HETATM   67  O   UNL     1      -8.715  -1.558   2.271  1.00  0.00           O  
HETATM   68  O   UNL     1      -6.124  -1.908   3.434  1.00  0.00           O  
HETATM   69  O   UNL     1      14.035  -0.224  -1.618  1.00  0.00           O  
HETATM   70  O   UNL     1      12.356   0.536  -0.184  1.00  0.00           O  
HETATM   71  H   UNL     1      14.407   2.777  -4.338  1.00  0.00           H  
HETATM   72  H   UNL     1      12.716   2.686  -4.885  1.00  0.00           H  
HETATM   73  H   UNL     1      13.095   3.328  -3.269  1.00  0.00           H  
HETATM   74  H   UNL     1      13.549   0.458  -4.195  1.00  0.00           H  
HETATM   75  H   UNL     1      11.515   1.691  -2.285  1.00  0.00           H  
HETATM   76  H   UNL     1      11.163   0.949  -3.864  1.00  0.00           H  
HETATM   77  H   UNL     1       9.899   0.079  -0.770  1.00  0.00           H  
HETATM   78  H   UNL     1       9.592   1.047   0.696  1.00  0.00           H  
HETATM   79  H   UNL     1       9.356  -0.928   2.079  1.00  0.00           H  
HETATM   80  H   UNL     1      10.751  -4.139   1.629  1.00  0.00           H  
HETATM   81  H   UNL     1      10.047  -2.910   2.717  1.00  0.00           H  
HETATM   82  H   UNL     1       8.647  -4.438   0.483  1.00  0.00           H  
HETATM   83  H   UNL     1       8.347  -4.553   2.204  1.00  0.00           H  
HETATM   84  H   UNL     1       7.450  -2.407   2.414  1.00  0.00           H  
HETATM   85  H   UNL     1       7.901  -1.709  -0.512  1.00  0.00           H  
HETATM   86  H   UNL     1       7.017  -0.204   1.975  1.00  0.00           H  
HETATM   87  H   UNL     1       7.200   0.482   0.336  1.00  0.00           H  
HETATM   88  H   UNL     1       4.838  -0.138   0.287  1.00  0.00           H  
HETATM   89  H   UNL     1       6.170  -4.963   2.241  1.00  0.00           H  
HETATM   90  H   UNL     1       5.492  -3.484   2.963  1.00  0.00           H  
HETATM   91  H   UNL     1       4.172  -5.178   0.784  1.00  0.00           H  
HETATM   92  H   UNL     1       3.715  -5.106   2.480  1.00  0.00           H  
HETATM   93  H   UNL     1       3.182  -2.708   2.272  1.00  0.00           H  
HETATM   94  H   UNL     1       3.214  -1.607   0.077  1.00  0.00           H  
HETATM   95  H   UNL     1       3.786  -3.109  -0.697  1.00  0.00           H  
HETATM   96  H   UNL     1       1.024  -1.938   0.913  1.00  0.00           H  
HETATM   97  H   UNL     1       0.898  -2.745   2.494  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.486  -3.638  -0.075  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.612  -4.445   1.506  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.519  -2.309   2.470  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.463  -0.815   0.749  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.621  -1.436  -0.451  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.491   0.795  -0.694  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.492   1.976   1.938  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.596   3.074  -0.910  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.017   4.009   1.531  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.082   2.737  -1.082  1.00  0.00           H  
HETATM  108  H   UNL     1       0.437   4.474  -0.089  1.00  0.00           H  
HETATM  109  H   UNL     1       0.464   3.535   1.423  1.00  0.00           H  
HETATM  110  H   UNL     1      10.738  -0.653  -2.031  1.00  0.00           H  
HETATM  111  H   UNL     1      12.078  -1.209  -3.057  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.054  -3.314   0.032  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.003  -4.143   1.606  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.384  -3.845   1.787  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.231  -0.916   1.624  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.866  -3.440   2.162  1.00  0.00           H  
HETATM  117  H   UNL     1      -7.859  -1.541  -0.231  1.00  0.00           H  
HETATM  118  H   UNL     1      -6.937  -4.441   0.016  1.00  0.00           H  
HETATM  119  H   UNL     1      12.396  -2.607  -1.075  1.00  0.00           H  
HETATM  120  H   UNL     1      -7.990  -3.805  -2.170  1.00  0.00           H  
HETATM  121  H   UNL     1      -6.807  -2.484  -2.321  1.00  0.00           H  
HETATM  122  H   UNL     1     -10.284  -1.586   0.835  1.00  0.00           H  
HETATM  123  H   UNL     1     -12.423  -2.125  -0.268  1.00  0.00           H  
HETATM  124  H   UNL     1     -10.834  -4.333  -1.656  1.00  0.00           H  
HETATM  125  H   UNL     1     -12.147  -1.814  -2.780  1.00  0.00           H  
HETATM  126  H   UNL     1      -9.203  -2.569  -2.490  1.00  0.00           H  
HETATM  127  H   UNL     1      12.219  -1.872   1.726  1.00  0.00           H  
HETATM  128  H   UNL     1      -9.810  -1.234  -4.530  1.00  0.00           H  
HETATM  129  H   UNL     1     -10.526   0.001  -3.467  1.00  0.00           H  
HETATM  130  H   UNL     1       6.983  -4.980  -0.056  1.00  0.00           H  
HETATM  131  H   UNL     1       5.365  -4.488  -0.611  1.00  0.00           H  
HETATM  132  H   UNL     1       6.797  -3.551  -1.100  1.00  0.00           H  
HETATM  133  H   UNL     1       9.116  -3.274  -0.720  1.00  0.00           H  
HETATM  134  H   UNL     1      10.098  -1.969  -1.427  1.00  0.00           H  
HETATM  135  H   UNL     1      10.864  -3.507  -0.963  1.00  0.00           H  
HETATM  136  H   UNL     1      14.392  -1.313   0.801  1.00  0.00           H  
HETATM  137  H   UNL     1      14.049  -3.056   0.695  1.00  0.00           H  
HETATM  138  H   UNL     1      14.767  -2.205  -0.694  1.00  0.00           H  
HETATM  139  H   UNL     1      11.608   0.373   1.776  1.00  0.00           H  
HETATM  140  H   UNL     1      15.229   1.182  -2.551  1.00  0.00           H  
HETATM  141  H   UNL     1      13.948   1.836  -1.508  1.00  0.00           H  
HETATM  142  H   UNL     1       2.283   2.960  -0.014  1.00  0.00           H  
HETATM  143  H   UNL     1      -5.391   3.646   0.665  1.00  0.00           H  
HETATM  144  H   UNL     1      -4.917   0.340   0.933  1.00  0.00           H  
HETATM  145  H   UNL     1      -6.065  -4.473  -3.416  1.00  0.00           H  
HETATM  146  H   UNL     1      -8.247   0.489  -3.991  1.00  0.00           H  
HETATM  147  H   UNL     1     -12.074  -3.691  -4.258  1.00  0.00           H  
HETATM  148  H   UNL     1     -13.125  -4.838  -1.195  1.00  0.00           H  
HETATM  149  H   UNL     1     -11.797  -3.423   1.640  1.00  0.00           H  
HETATM  150  H   UNL     1      -8.649  -1.449   3.230  1.00  0.00           H  
HETATM  151  H   UNL     1      -5.250  -1.591   3.696  1.00  0.00           H  
HETATM  152  C   UNL     1      -1.366   6.111   0.514  1.00  0.00           C  
HETATM  153  C   UNL     1      -0.892   7.215  -0.434  1.00  0.00           C  
HETATM  154  C   UNL     1      -2.105   7.828  -1.139  1.00  0.00           C  
HETATM  155  C   UNL     1      -3.085   8.350  -0.083  1.00  0.00           C  
HETATM  156  C   UNL     1      -3.475   7.202   0.851  1.00  0.00           C  
HETATM  157  O   UNL     1      -2.298   6.656   1.450  1.00  0.00           O  
HETATM  158  C   UNL     1      -4.407   7.728   1.945  1.00  0.00           C  
HETATM  159  O   UNL     1      -4.879   6.635   2.735  1.00  0.00           O  
HETATM  160  O   UNL     1      -2.463   9.391   0.673  1.00  0.00           O  
HETATM  161  O   UNL     1      -1.679   8.909  -1.971  1.00  0.00           O  
HETATM  162  O   UNL     1      -0.212   8.226   0.312  1.00  0.00           O  
HETATM  163  H   UNL     1      -0.511   5.699   1.050  1.00  0.00           H  
HETATM  164  H   UNL     1      -0.215   6.792  -1.177  1.00  0.00           H  
HETATM  165  H   UNL     1      -2.596   7.069  -1.748  1.00  0.00           H  
HETATM  166  H   UNL     1      -3.977   8.738  -0.575  1.00  0.00           H  
HETATM  167  H   UNL     1      -3.986   6.426   0.281  1.00  0.00           H  
HETATM  168  H   UNL     1      -3.863   8.427   2.580  1.00  0.00           H  
HETATM  169  H   UNL     1      -5.254   8.238   1.486  1.00  0.00           H  
HETATM  170  H   UNL     1      -5.476   6.895   3.449  1.00  0.00           H  
HETATM  171  H   UNL     1      -2.185  10.150   0.142  1.00  0.00           H  
HETATM  172  H   UNL     1      -1.051   8.651  -2.659  1.00  0.00           H  
HETATM  173  H   UNL     1       0.567   7.906   0.789  1.00  0.00           H  
CONECT    1    2   71   72   73                                       
CONECT    2    1   50    3   74                                       
CONECT    3    2   29   75   76                                       
CONECT    4   49    5   77   78                                       
CONECT    5    6    4   10   79                                       
CONECT    6   44   47    7    5                                       
CONECT    7    6    8   80   81                                       
CONECT    8    7    9   82   83                                       
CONECT    9    8   10   14   84                                       
CONECT   10    5    9   11   85                                       
CONECT   11   10   12   86   87                                       
CONECT   12   11   13   13   88                                       
CONECT   13   14   12   12   18                                       
CONECT   14    9   46   15   13                                       
CONECT   15   14   16   89   90                                       
CONECT   16   15   17   91   92                                       
CONECT   17   16   18   51   93                                       
CONECT   18   13   17   94   95                                       
CONECT   19   51   20   96   97                                       
CONECT   20   19   21   98   99                                       
CONECT   21   20   22   31  100                                       
CONECT   22   21   52  101  102                                       
CONECT   23   52   24   53  103                                       
CONECT   24   23   57   25  104                                       
CONECT   25   24   26   56  105                                       
CONECT   26   27   55   25  106                                       
CONECT   27   53   26   28  107                                       
CONECT   28   27   54  108  109                                       
CONECT   29    3   30  110  111                                       
CONECT   30   69   29   37   70                                       
CONECT   31   21   58  112  113                                       
CONECT   32   59   58   33  114                                       
CONECT   33   32   34   68  115                                       
CONECT   34   35   33   67  116                                       
CONECT   35   36   61   34  117                                       
CONECT   36   38   59   35  118                                       
CONECT   37   48   30   44  119                                       
CONECT   38   60   36  120  121                                       
CONECT   39   62   61   40  122                                       
CONECT   40   39   41   66  123                                       
CONECT   41   42   40   65  124                                       
CONECT   42   43   64   41  125                                       
CONECT   43   45   62   42  126                                       
CONECT   44   37   49    6  127                                       
CONECT   45   63   43  128  129                                       
CONECT   46   14  130  131  132                                       
CONECT   47    6  133  134  135                                       
CONECT   48   37  136  137  138                                       
CONECT   49   70   44    4  139                                       
CONECT   50    2   69  140  141                                       
CONECT   51   17   19                                                 
CONECT   52   22   23                                                 
CONECT   53   23   27                                                 
CONECT   54   28  142                                                 
CONECT   55   26  152                                                 
CONECT   56   25  143                                                 
CONECT   57   24  144                                                 
CONECT   58   31   32                                                 
CONECT   59   36   32                                                 
CONECT   60   38  145                                                 
CONECT   61   39   35                                                 
CONECT   62   43   39                                                 
CONECT   63   45  146                                                 
CONECT   64   42  147                                                 
CONECT   65   41  148                                                 
CONECT   66   40  149                                                 
CONECT   67   34  150                                                 
CONECT   68   33  151                                                 
CONECT   69   50   30                                                 
CONECT   70   30   49                                                 
CONECT   71    1                                                      
CONECT   72    1                                                      
CONECT   73    1                                                      
CONECT   74    2                                                      
CONECT   75    3                                                      
CONECT   76    3                                                      
CONECT   77    4                                                      
CONECT   78    4                                                      
CONECT   79    5                                                      
CONECT   80    7                                                      
CONECT   81    7                                                      
CONECT   82    8                                                      
CONECT   83    8                                                      
CONECT   84    9                                                      
CONECT   85   10                                                      
CONECT   86   11                                                      
CONECT   87   11                                                      
CONECT   88   12                                                      
CONECT   89   15                                                      
CONECT   90   15                                                      
CONECT   91   16                                                      
CONECT   92   16                                                      
CONECT   93   17                                                      
CONECT   94   18                                                      
CONECT   95   18                                                      
CONECT   96   19                                                      
CONECT   97   19                                                      
CONECT   98   20                                                      
CONECT   99   20                                                      
CONECT  100   21                                                      
CONECT  101   22                                                      
CONECT  102   22                                                      
CONECT  103   23                                                      
CONECT  104   24                                                      
CONECT  105   25                                                      
CONECT  106   26                                                      
CONECT  107   27                                                      
CONECT  108   28                                                      
CONECT  109   28                                                      
CONECT  110   29                                                      
CONECT  111   29                                                      
CONECT  112   31                                                      
CONECT  113   31                                                      
CONECT  114   32                                                      
CONECT  115   33                                                      
CONECT  116   34                                                      
CONECT  117   35                                                      
CONECT  118   36                                                      
CONECT  119   37                                                      
CONECT  120   38                                                      
CONECT  121   38                                                      
CONECT  122   39                                                      
CONECT  123   40                                                      
CONECT  124   41                                                      
CONECT  125   42                                                      
CONECT  126   43                                                      
CONECT  127   44                                                      
CONECT  128   45                                                      
CONECT  129   45                                                      
CONECT  130   46                                                      
CONECT  131   46                                                      
CONECT  132   46                                                      
CONECT  133   47                                                      
CONECT  134   47                                                      
CONECT  135   47                                                      
CONECT  136   48                                                      
CONECT  137   48                                                      
CONECT  138   48                                                      
CONECT  139   49                                                      
CONECT  140   50                                                      
CONECT  141   50                                                      
CONECT  142   54                                                      
CONECT  143   56                                                      
CONECT  144   57                                                      
CONECT  145   60                                                      
CONECT  146   63                                                      
CONECT  147   64                                                      
CONECT  148   65                                                      
CONECT  149   66                                                      
CONECT  150   67                                                      
CONECT  151   68                                                      
CONECT  152   55  153  157  163                                       
CONECT  153  152  154  162  164                                       
CONECT  154  153  155  161  165                                       
CONECT  155  154  156  160  166                                       
CONECT  156  155  157  158  167                                       
CONECT  157  156  152                                                 
CONECT  158  156  159  168  169                                       
CONECT  159  158  170                                                 
CONECT  160  155  171                                                 
CONECT  161  154  172                                                 
CONECT  162  153  173                                                 
CONECT  163  152                                                      
CONECT  164  153                                                      
CONECT  165  154                                                      
CONECT  166  155                                                      
CONECT  167  156                                                      
CONECT  168  158                                                      
CONECT  169  158                                                      
CONECT  170  159                                                      
CONECT  171  160                                                      
CONECT  172  161                                                      
CONECT  173  162                                                      
MASTER        0    0    0    0    0    0    0    0  173    0  173    0
END
