COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      26.639  -5.002  -0.886  1.00  0.00           C  
HETATM    2  C   UNL     1      25.505  -4.556   0.039  1.00  0.00           C  
HETATM    3  C   UNL     1      24.202  -4.469  -0.758  1.00  0.00           C  
HETATM    4  C   UNL     1      23.067  -4.023   0.167  1.00  0.00           C  
HETATM    5  C   UNL     1      21.764  -3.937  -0.630  1.00  0.00           C  
HETATM    6  C   UNL     1      20.629  -3.491   0.295  1.00  0.00           C  
HETATM    7  C   UNL     1      19.326  -3.405  -0.502  1.00  0.00           C  
HETATM    8  C   UNL     1      18.192  -2.959   0.423  1.00  0.00           C  
HETATM    9  C   UNL     1      16.889  -2.872  -0.374  1.00  0.00           C  
HETATM   10  C   UNL     1      15.754  -2.426   0.551  1.00  0.00           C  
HETATM   11  C   UNL     1      14.451  -2.340  -0.246  1.00  0.00           C  
HETATM   12  C   UNL     1      13.316  -1.894   0.679  1.00  0.00           C  
HETATM   13  C   UNL     1      12.013  -1.807  -0.118  1.00  0.00           C  
HETATM   14  C   UNL     1      10.879  -1.361   0.807  1.00  0.00           C  
HETATM   15  C   UNL     1       9.575  -1.275   0.010  1.00  0.00           C  
HETATM   16  C   UNL     1       8.441  -0.829   0.934  1.00  0.00           C  
HETATM   17  C   UNL     1       7.138  -0.742   0.138  1.00  0.00           C  
HETATM   18  C   UNL     1       6.003  -0.296   1.062  1.00  0.00           C  
HETATM   19  C   UNL     1       4.700  -0.210   0.266  1.00  0.00           C  
HETATM   20  C   UNL     1       3.565   0.236   1.190  1.00  0.00           C  
HETATM   21  C   UNL     1       2.262   0.323   0.394  1.00  0.00           C  
HETATM   22  C   UNL     1       1.128   0.769   1.318  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.176   0.855   0.522  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.310   1.301   1.446  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.613   1.388   0.650  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.731   1.827   1.560  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.507   2.049   2.731  1.00  0.00           O  
HETATM   28  N   UNL     1      -4.979   1.973   1.074  1.00  0.00           N  
HETATM   29  C   UNL     1      -6.065   2.400   1.959  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.402   1.910   1.399  1.00  0.00           C  
HETATM   31  O   UNL     1      -8.470   2.433   2.191  1.00  0.00           O  
HETATM   32  C   UNL     1      -7.441   0.381   1.437  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.372  -0.143   0.645  1.00  0.00           O  
HETATM   34  C   UNL     1      -8.778  -0.109   0.877  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.868  -1.629   1.029  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.205  -2.119   0.469  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.295  -3.639   0.622  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.632  -4.129   0.062  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.722  -5.649   0.214  1.00  0.00           C  
HETATM   40  C   UNL     1     -13.059  -6.139  -0.346  1.00  0.00           C  
HETATM   41  C   UNL     1     -13.149  -7.659  -0.194  1.00  0.00           C  
HETATM   42  C   UNL     1     -14.486  -8.149  -0.754  1.00  0.00           C  
HETATM   43  C   UNL     1     -14.576  -9.669  -0.601  1.00  0.00           C  
HETATM   44  C   UNL     1     -15.913 -10.159  -1.161  1.00  0.00           C  
HETATM   45  C   UNL     1     -16.003 -11.679  -1.009  1.00  0.00           C  
HETATM   46  C   UNL     1     -17.340 -12.169  -1.569  1.00  0.00           C  
HETATM   47  C   UNL     1     -17.430 -13.689  -1.417  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.079   3.927   2.049  1.00  0.00           C  
HETATM   49  O   UNL     1      -6.380   4.477   0.765  1.00  0.00           O  
HETATM   50  C   UNL     1      -6.418   5.906   0.739  1.00  0.00           C  
HETATM   51  O   UNL     1      -5.095   6.421   0.901  1.00  0.00           O  
HETATM   52  C   UNL     1      -6.988   6.377  -0.601  1.00  0.00           C  
HETATM   53  O   UNL     1      -8.288   5.816  -0.792  1.00  0.00           O  
HETATM   54  C   UNL     1      -6.061   5.916  -1.731  1.00  0.00           C  
HETATM   55  O   UNL     1      -6.545   6.414  -2.980  1.00  0.00           O  
HETATM   56  C   UNL     1      -4.652   6.459  -1.474  1.00  0.00           C  
HETATM   57  O   UNL     1      -4.678   7.888  -1.505  1.00  0.00           O  
HETATM   58  C   UNL     1      -4.173   5.985  -0.100  1.00  0.00           C  
HETATM   59  C   UNL     1      -2.811   6.563   0.185  1.00  0.00           C  
HETATM   60  N   UNL     1      -1.755   6.207  -0.572  1.00  0.00           N  
HETATM   61  O   UNL     1      -2.665   7.350   1.096  1.00  0.00           O  
HETATM   62  C   UNL     1      -0.431   6.769  -0.295  1.00  0.00           C  
HETATM   63  C   UNL     1       0.567   6.213  -1.278  1.00  0.00           C  
HETATM   64  C   UNL     1       1.250   5.047  -0.984  1.00  0.00           C  
HETATM   65  C   UNL     1       2.165   4.537  -1.885  1.00  0.00           C  
HETATM   66  C   UNL     1       2.398   5.192  -3.080  1.00  0.00           C  
HETATM   67  C   UNL     1       1.714   6.357  -3.374  1.00  0.00           C  
HETATM   68  C   UNL     1       0.795   6.865  -2.475  1.00  0.00           C  
HETATM   69  H   UNL     1      26.404  -5.980  -1.304  1.00  0.00           H  
HETATM   70  H   UNL     1      26.755  -4.279  -1.694  1.00  0.00           H  
HETATM   71  H   UNL     1      27.568  -5.064  -0.318  1.00  0.00           H  
HETATM   72  H   UNL     1      25.390  -5.279   0.847  1.00  0.00           H  
HETATM   73  H   UNL     1      25.741  -3.578   0.457  1.00  0.00           H  
HETATM   74  H   UNL     1      24.317  -3.747  -1.566  1.00  0.00           H  
HETATM   75  H   UNL     1      23.966  -5.448  -1.176  1.00  0.00           H  
HETATM   76  H   UNL     1      22.952  -4.746   0.975  1.00  0.00           H  
HETATM   77  H   UNL     1      23.303  -3.045   0.585  1.00  0.00           H  
HETATM   78  H   UNL     1      21.879  -3.214  -1.438  1.00  0.00           H  
HETATM   79  H   UNL     1      21.528  -4.915  -1.048  1.00  0.00           H  
HETATM   80  H   UNL     1      20.514  -4.214   1.103  1.00  0.00           H  
HETATM   81  H   UNL     1      20.865  -2.513   0.713  1.00  0.00           H  
HETATM   82  H   UNL     1      19.442  -2.682  -1.310  1.00  0.00           H  
HETATM   83  H   UNL     1      19.091  -4.383  -0.920  1.00  0.00           H  
HETATM   84  H   UNL     1      18.076  -3.681   1.231  1.00  0.00           H  
HETATM   85  H   UNL     1      18.427  -1.980   0.841  1.00  0.00           H  
HETATM   86  H   UNL     1      17.004  -2.149  -1.182  1.00  0.00           H  
HETATM   87  H   UNL     1      16.653  -3.851  -0.793  1.00  0.00           H  
HETATM   88  H   UNL     1      15.639  -3.149   1.359  1.00  0.00           H  
HETATM   89  H   UNL     1      15.990  -1.448   0.969  1.00  0.00           H  
HETATM   90  H   UNL     1      14.566  -1.617  -1.054  1.00  0.00           H  
HETATM   91  H   UNL     1      14.215  -3.318  -0.665  1.00  0.00           H  
HETATM   92  H   UNL     1      13.201  -2.616   1.487  1.00  0.00           H  
HETATM   93  H   UNL     1      13.552  -0.915   1.097  1.00  0.00           H  
HETATM   94  H   UNL     1      12.128  -1.085  -0.926  1.00  0.00           H  
HETATM   95  H   UNL     1      11.777  -2.786  -0.537  1.00  0.00           H  
HETATM   96  H   UNL     1      10.763  -2.084   1.615  1.00  0.00           H  
HETATM   97  H   UNL     1      11.114  -0.383   1.225  1.00  0.00           H  
HETATM   98  H   UNL     1       9.691  -0.552  -0.798  1.00  0.00           H  
HETATM   99  H   UNL     1       9.340  -2.253  -0.409  1.00  0.00           H  
HETATM  100  H   UNL     1       8.325  -1.551   1.742  1.00  0.00           H  
HETATM  101  H   UNL     1       8.677   0.150   1.353  1.00  0.00           H  
HETATM  102  H   UNL     1       7.253  -0.020  -0.670  1.00  0.00           H  
HETATM  103  H   UNL     1       6.902  -1.721  -0.281  1.00  0.00           H  
HETATM  104  H   UNL     1       5.888  -1.019   1.870  1.00  0.00           H  
HETATM  105  H   UNL     1       6.239   0.682   1.481  1.00  0.00           H  
HETATM  106  H   UNL     1       4.815   0.513  -0.542  1.00  0.00           H  
HETATM  107  H   UNL     1       4.464  -1.188  -0.153  1.00  0.00           H  
HETATM  108  H   UNL     1       3.450  -0.486   1.998  1.00  0.00           H  
HETATM  109  H   UNL     1       3.801   1.215   1.609  1.00  0.00           H  
HETATM  110  H   UNL     1       2.378   1.045  -0.414  1.00  0.00           H  
HETATM  111  H   UNL     1       2.026  -0.656  -0.025  1.00  0.00           H  
HETATM  112  H   UNL     1       1.012   0.046   2.126  1.00  0.00           H  
HETATM  113  H   UNL     1       1.363   1.747   1.737  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.060   1.578  -0.286  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.411  -0.123   0.103  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.425   0.578   2.254  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.074   2.280   1.865  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.498   2.110  -0.158  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.849   0.409   0.231  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.158   1.796   0.137  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.911   1.979   2.952  1.00  0.00           H  
HETATM  122  H   UNL     1      -7.512   2.251   0.370  1.00  0.00           H  
HETATM  123  H   UNL     1      -8.452   2.148   3.114  1.00  0.00           H  
HETATM  124  H   UNL     1      -7.331   0.040   2.466  1.00  0.00           H  
HETATM  125  H   UNL     1      -6.406   0.121  -0.285  1.00  0.00           H  
HETATM  126  H   UNL     1      -9.595   0.360   1.425  1.00  0.00           H  
HETATM  127  H   UNL     1      -8.849   0.155  -0.178  1.00  0.00           H  
HETATM  128  H   UNL     1      -8.051  -2.098   0.481  1.00  0.00           H  
HETATM  129  H   UNL     1      -8.797  -1.893   2.084  1.00  0.00           H  
HETATM  130  H   UNL     1     -11.022  -1.650   1.017  1.00  0.00           H  
HETATM  131  H   UNL     1     -10.276  -1.855  -0.586  1.00  0.00           H  
HETATM  132  H   UNL     1      -9.478  -4.108   0.074  1.00  0.00           H  
HETATM  133  H   UNL     1     -10.224  -3.903   1.677  1.00  0.00           H  
HETATM  134  H   UNL     1     -12.449  -3.660   0.609  1.00  0.00           H  
HETATM  135  H   UNL     1     -11.703  -3.865  -0.993  1.00  0.00           H  
HETATM  136  H   UNL     1     -10.905  -6.118  -0.334  1.00  0.00           H  
HETATM  137  H   UNL     1     -11.651  -5.913   1.269  1.00  0.00           H  
HETATM  138  H   UNL     1     -13.876  -5.670   0.202  1.00  0.00           H  
HETATM  139  H   UNL     1     -13.130  -5.875  -1.401  1.00  0.00           H  
HETATM  140  H   UNL     1     -12.332  -8.128  -0.742  1.00  0.00           H  
HETATM  141  H   UNL     1     -13.078  -7.923   0.861  1.00  0.00           H  
HETATM  142  H   UNL     1     -15.303  -7.680  -0.206  1.00  0.00           H  
HETATM  143  H   UNL     1     -14.557  -7.885  -1.809  1.00  0.00           H  
HETATM  144  H   UNL     1     -13.759 -10.138  -1.149  1.00  0.00           H  
HETATM  145  H   UNL     1     -14.505  -9.933   0.454  1.00  0.00           H  
HETATM  146  H   UNL     1     -16.730  -9.690  -0.613  1.00  0.00           H  
HETATM  147  H   UNL     1     -15.984  -9.895  -2.216  1.00  0.00           H  
HETATM  148  H   UNL     1     -15.186 -12.148  -1.557  1.00  0.00           H  
HETATM  149  H   UNL     1     -15.932 -11.943   0.046  1.00  0.00           H  
HETATM  150  H   UNL     1     -18.157 -11.700  -1.021  1.00  0.00           H  
HETATM  151  H   UNL     1     -17.411 -11.905  -2.624  1.00  0.00           H  
HETATM  152  H   UNL     1     -16.613 -14.158  -1.964  1.00  0.00           H  
HETATM  153  H   UNL     1     -17.359 -13.953  -0.362  1.00  0.00           H  
HETATM  154  H   UNL     1     -18.383 -14.038  -1.816  1.00  0.00           H  
HETATM  155  H   UNL     1      -6.838   4.242   2.766  1.00  0.00           H  
HETATM  156  H   UNL     1      -5.101   4.281   2.376  1.00  0.00           H  
HETATM  157  H   UNL     1      -7.051   6.267   1.550  1.00  0.00           H  
HETATM  158  H   UNL     1      -7.055   7.465  -0.607  1.00  0.00           H  
HETATM  159  H   UNL     1      -8.927   6.063  -0.109  1.00  0.00           H  
HETATM  160  H   UNL     1      -6.034   4.827  -1.759  1.00  0.00           H  
HETATM  161  H   UNL     1      -7.437   6.115  -3.203  1.00  0.00           H  
HETATM  162  H   UNL     1      -3.974   6.090  -2.244  1.00  0.00           H  
HETATM  163  H   UNL     1      -3.817   8.300  -1.350  1.00  0.00           H  
HETATM  164  H   UNL     1      -4.115   4.896  -0.091  1.00  0.00           H  
HETATM  165  H   UNL     1      -1.872   5.577  -1.301  1.00  0.00           H  
HETATM  166  H   UNL     1      -0.470   7.854  -0.392  1.00  0.00           H  
HETATM  167  H   UNL     1      -0.129   6.505   0.718  1.00  0.00           H  
HETATM  168  H   UNL     1       1.068   4.536  -0.051  1.00  0.00           H  
HETATM  169  H   UNL     1       2.699   3.627  -1.655  1.00  0.00           H  
HETATM  170  H   UNL     1       3.114   4.794  -3.784  1.00  0.00           H  
HETATM  171  H   UNL     1       1.896   6.869  -4.308  1.00  0.00           H  
HETATM  172  H   UNL     1       0.258   7.773  -2.707  1.00  0.00           H  
CONECT    1    2   69   70   71                                       
CONECT    2    1    3   72   73                                       
CONECT    3    2    4   74   75                                       
CONECT    4    3    5   76   77                                       
CONECT    5    4    6   78   79                                       
CONECT    6    5    7   80   81                                       
CONECT    7    6    8   82   83                                       
CONECT    8    7    9   84   85                                       
CONECT    9    8   10   86   87                                       
CONECT   10    9   11   88   89                                       
CONECT   11   10   12   90   91                                       
CONECT   12   11   13   92   93                                       
CONECT   13   12   14   94   95                                       
CONECT   14   13   15   96   97                                       
CONECT   15   14   16   98   99                                       
CONECT   16   15   17  100  101                                       
CONECT   17   16   18  102  103                                       
CONECT   18   17   19  104  105                                       
CONECT   19   18   20  106  107                                       
CONECT   20   19   21  108  109                                       
CONECT   21   20   22  110  111                                       
CONECT   22   21   23  112  113                                       
CONECT   23   22   24  114  115                                       
CONECT   24   23   25  116  117                                       
CONECT   25   24   26  118  119                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29  120                                            
CONECT   29   28   48   30  121                                       
CONECT   30   29   31   32  122                                       
CONECT   31   30  123                                                 
CONECT   32   30   34   33  124                                       
CONECT   33   32  125                                                 
CONECT   34   32   35  126  127                                       
CONECT   35   34   36  128  129                                       
CONECT   36   35   37  130  131                                       
CONECT   37   36   38  132  133                                       
CONECT   38   37   39  134  135                                       
CONECT   39   38   40  136  137                                       
CONECT   40   39   41  138  139                                       
CONECT   41   40   42  140  141                                       
CONECT   42   41   43  142  143                                       
CONECT   43   42   44  144  145                                       
CONECT   44   43   45  146  147                                       
CONECT   45   44   46  148  149                                       
CONECT   46   45   47  150  151                                       
CONECT   47   46  152  153  154                                       
CONECT   48   29   49  155  156                                       
CONECT   49   48   50                                                 
CONECT   50   49   51   52  157                                       
CONECT   51   50   58                                                 
CONECT   52   50   54   53  158                                       
CONECT   53   52  159                                                 
CONECT   54   52   56   55  160                                       
CONECT   55   54  161                                                 
CONECT   56   54   57   58  162                                       
CONECT   57   56  163                                                 
CONECT   58   51   56   59  164                                       
CONECT   59   58   60   61   61                                       
CONECT   60   59   62  165                                            
CONECT   61   59   59                                                 
CONECT   62   60   63  166  167                                       
CONECT   63   62   64   64   68                                       
CONECT   64   63   63   65  168                                       
CONECT   65   64   66   66  169                                       
CONECT   66   65   65   67  170                                       
CONECT   67   66   68   68  171                                       
CONECT   68   63   67   67  172                                       
CONECT   69    1                                                      
CONECT   70    1                                                      
CONECT   71    1                                                      
CONECT   72    2                                                      
CONECT   73    2                                                      
CONECT   74    3                                                      
CONECT   75    3                                                      
CONECT   76    4                                                      
CONECT   77    4                                                      
CONECT   78    5                                                      
CONECT   79    5                                                      
CONECT   80    6                                                      
CONECT   81    6                                                      
CONECT   82    7                                                      
CONECT   83    7                                                      
CONECT   84    8                                                      
CONECT   85    8                                                      
CONECT   86    9                                                      
CONECT   87    9                                                      
CONECT   88   10                                                      
CONECT   89   10                                                      
CONECT   90   11                                                      
CONECT   91   11                                                      
CONECT   92   12                                                      
CONECT   93   12                                                      
CONECT   94   13                                                      
CONECT   95   13                                                      
CONECT   96   14                                                      
CONECT   97   14                                                      
CONECT   98   15                                                      
CONECT   99   15                                                      
CONECT  100   16                                                      
CONECT  101   16                                                      
CONECT  102   17                                                      
CONECT  103   17                                                      
CONECT  104   18                                                      
CONECT  105   18                                                      
CONECT  106   19                                                      
CONECT  107   19                                                      
CONECT  108   20                                                      
CONECT  109   20                                                      
CONECT  110   21                                                      
CONECT  111   21                                                      
CONECT  112   22                                                      
CONECT  113   22                                                      
CONECT  114   23                                                      
CONECT  115   23                                                      
CONECT  116   24                                                      
CONECT  117   24                                                      
CONECT  118   25                                                      
CONECT  119   25                                                      
CONECT  120   28                                                      
CONECT  121   29                                                      
CONECT  122   30                                                      
CONECT  123   31                                                      
CONECT  124   32                                                      
CONECT  125   33                                                      
CONECT  126   34                                                      
CONECT  127   34                                                      
CONECT  128   35                                                      
CONECT  129   35                                                      
CONECT  130   36                                                      
CONECT  131   36                                                      
CONECT  132   37                                                      
CONECT  133   37                                                      
CONECT  134   38                                                      
CONECT  135   38                                                      
CONECT  136   39                                                      
CONECT  137   39                                                      
CONECT  138   40                                                      
CONECT  139   40                                                      
CONECT  140   41                                                      
CONECT  141   41                                                      
CONECT  142   42                                                      
CONECT  143   42                                                      
CONECT  144   43                                                      
CONECT  145   43                                                      
CONECT  146   44                                                      
CONECT  147   44                                                      
CONECT  148   45                                                      
CONECT  149   45                                                      
CONECT  150   46                                                      
CONECT  151   46                                                      
CONECT  152   47                                                      
CONECT  153   47                                                      
CONECT  154   47                                                      
CONECT  155   48                                                      
CONECT  156   48                                                      
CONECT  157   50                                                      
CONECT  158   52                                                      
CONECT  159   53                                                      
CONECT  160   54                                                      
CONECT  161   55                                                      
CONECT  162   56                                                      
CONECT  163   57                                                      
CONECT  164   58                                                      
CONECT  165   60                                                      
CONECT  166   62                                                      
CONECT  167   62                                                      
CONECT  168   64                                                      
CONECT  169   65                                                      
CONECT  170   66                                                      
CONECT  171   67                                                      
CONECT  172   68                                                      
MASTER        0    0    0    0    0    0    0    0  172    0  172    0
END
