COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.845  -5.354   3.442  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.338  -5.223   2.004  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.945  -5.847   1.895  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.263  -4.782   3.529  1.00  0.00           C  
HETATM    5  C   UNL     1      26.357   6.027   0.938  1.00  0.00           C  
HETATM    6  C   UNL     1      25.253   5.354   0.119  1.00  0.00           C  
HETATM    7  C   UNL     1      23.927   5.448   0.877  1.00  0.00           C  
HETATM    8  C   UNL     1      22.823   4.775   0.058  1.00  0.00           C  
HETATM    9  C   UNL     1      21.497   4.868   0.816  1.00  0.00           C  
HETATM   10  C   UNL     1      20.393   4.196  -0.002  1.00  0.00           C  
HETATM   11  C   UNL     1      19.068   4.289   0.756  1.00  0.00           C  
HETATM   12  C   UNL     1      17.964   3.616  -0.063  1.00  0.00           C  
HETATM   13  C   UNL     1      16.638   3.710   0.695  1.00  0.00           C  
HETATM   14  C   UNL     1      15.534   3.037  -0.123  1.00  0.00           C  
HETATM   15  C   UNL     1      14.208   3.130   0.635  1.00  0.00           C  
HETATM   16  C   UNL     1      13.104   2.458  -0.184  1.00  0.00           C  
HETATM   17  C   UNL     1      11.779   2.551   0.574  1.00  0.00           C  
HETATM   18  C   UNL     1      10.675   1.878  -0.245  1.00  0.00           C  
HETATM   19  C   UNL     1       9.349   1.972   0.513  1.00  0.00           C  
HETATM   20  C   UNL     1       8.245   1.299  -0.305  1.00  0.00           C  
HETATM   21  C   UNL     1       6.919   1.392   0.453  1.00  0.00           C  
HETATM   22  C   UNL     1       5.816   0.720  -0.366  1.00  0.00           C  
HETATM   23  C   UNL     1       4.490   0.813   0.392  1.00  0.00           C  
HETATM   24  C   UNL     1       3.386   0.141  -0.426  1.00  0.00           C  
HETATM   25  C   UNL     1       2.060   0.234   0.332  1.00  0.00           C  
HETATM   26  C   UNL     1       0.956  -0.439  -0.487  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.369  -0.346   0.271  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.473  -1.018  -0.548  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.799  -0.925   0.211  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.886  -1.587  -0.596  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.626  -2.085  -1.671  1.00  0.00           O  
HETATM   32  N   UNL     1      -5.148  -1.627  -0.122  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.205  -2.271  -0.906  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.560  -1.676  -0.519  1.00  0.00           C  
HETATM   35  O   UNL     1      -8.584  -2.260  -1.327  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.536  -0.163  -0.742  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.512   0.421   0.066  1.00  0.00           O  
HETATM   38  C   UNL     1      -8.892   0.431  -0.355  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.910   1.923  -0.694  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.266   2.518  -0.307  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.284   4.009  -0.647  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.640   4.604  -0.260  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.658   6.095  -0.599  1.00  0.00           C  
HETATM   44  C   UNL     1     -13.014   6.690  -0.212  1.00  0.00           C  
HETATM   45  C   UNL     1     -13.032   8.182  -0.551  1.00  0.00           C  
HETATM   46  C   UNL     1     -14.388   8.776  -0.164  1.00  0.00           C  
HETATM   47  C   UNL     1     -14.406  10.268  -0.503  1.00  0.00           C  
HETATM   48  C   UNL     1     -15.762  10.862  -0.117  1.00  0.00           C  
HETATM   49  C   UNL     1     -15.781  12.354  -0.456  1.00  0.00           C  
HETATM   50  C   UNL     1     -17.136  12.948  -0.069  1.00  0.00           C  
HETATM   51  C   UNL     1     -17.155  14.440  -0.408  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.207  -3.774  -0.621  1.00  0.00           C  
HETATM   53  O   UNL     1      -6.534  -3.998   0.751  1.00  0.00           O  
HETATM   54  C   UNL     1      -6.563  -5.378   1.124  1.00  0.00           C  
HETATM   55  O   UNL     1      -5.234  -5.901   1.120  1.00  0.00           O  
HETATM   56  C   UNL     1      -7.160  -5.515   2.527  1.00  0.00           C  
HETATM   57  O   UNL     1      -8.468  -4.940   2.548  1.00  0.00           O  
HETATM   58  O   UNL     1      -6.773  -4.966   4.851  1.00  0.00           O  
HETATM   59  O   UNL     1      -4.862  -6.732   3.820  1.00  0.00           O  
HETATM   60  O   UNL     1      -2.414  -5.619   0.563  1.00  0.00           O  
HETATM   61  C   UNL     1      -1.188  -6.108   0.301  1.00  0.00           C  
HETATM   62  O   UNL     1      -0.577  -6.709   1.162  1.00  0.00           O  
HETATM   63  N   UNL     1      -0.637  -5.931  -0.917  1.00  0.00           N  
HETATM   64  C   UNL     1       0.674  -6.346  -1.157  1.00  0.00           C  
HETATM   65  C   UNL     1       1.096  -6.646  -2.469  1.00  0.00           C  
HETATM   66  C   UNL     1       0.219  -6.537  -3.560  1.00  0.00           C  
HETATM   67  C   UNL     1       0.661  -6.834  -4.813  1.00  0.00           C  
HETATM   68  C   UNL     1       1.974  -7.247  -5.031  1.00  0.00           C  
HETATM   69  C   UNL     1       2.852  -7.365  -3.997  1.00  0.00           C  
HETATM   70  C   UNL     1       2.431  -7.066  -2.690  1.00  0.00           C  
HETATM   71  C   UNL     1       3.311  -7.176  -1.599  1.00  0.00           C  
HETATM   72  C   UNL     1       2.876  -6.880  -0.343  1.00  0.00           C  
HETATM   73  C   UNL     1       1.569  -6.460  -0.115  1.00  0.00           C  
HETATM   74  H   UNL     1      -4.187  -4.801   4.112  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.286  -4.169   1.731  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.284  -5.391   2.632  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.011  -6.919   2.081  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.242  -3.718   3.292  1.00  0.00           H  
HETATM   79  H   UNL     1      26.103   7.075   1.098  1.00  0.00           H  
HETATM   80  H   UNL     1      26.452   5.524   1.900  1.00  0.00           H  
HETATM   81  H   UNL     1      27.301   5.961   0.397  1.00  0.00           H  
HETATM   82  H   UNL     1      25.157   5.857  -0.844  1.00  0.00           H  
HETATM   83  H   UNL     1      25.507   4.307  -0.042  1.00  0.00           H  
HETATM   84  H   UNL     1      24.023   4.945   1.839  1.00  0.00           H  
HETATM   85  H   UNL     1      23.673   6.495   1.038  1.00  0.00           H  
HETATM   86  H   UNL     1      22.727   5.278  -0.904  1.00  0.00           H  
HETATM   87  H   UNL     1      23.077   3.727  -0.102  1.00  0.00           H  
HETATM   88  H   UNL     1      21.593   4.366   1.779  1.00  0.00           H  
HETATM   89  H   UNL     1      21.243   5.916   0.977  1.00  0.00           H  
HETATM   90  H   UNL     1      20.298   4.698  -0.965  1.00  0.00           H  
HETATM   91  H   UNL     1      20.647   3.148  -0.163  1.00  0.00           H  
HETATM   92  H   UNL     1      19.163   3.786   1.718  1.00  0.00           H  
HETATM   93  H   UNL     1      18.814   5.337   0.916  1.00  0.00           H  
HETATM   94  H   UNL     1      17.868   4.119  -1.025  1.00  0.00           H  
HETATM   95  H   UNL     1      18.218   2.569  -0.224  1.00  0.00           H  
HETATM   96  H   UNL     1      16.734   3.207   1.658  1.00  0.00           H  
HETATM   97  H   UNL     1      16.384   4.757   0.856  1.00  0.00           H  
HETATM   98  H   UNL     1      15.438   3.540  -1.086  1.00  0.00           H  
HETATM   99  H   UNL     1      15.788   1.989  -0.284  1.00  0.00           H  
HETATM  100  H   UNL     1      14.304   2.628   1.597  1.00  0.00           H  
HETATM  101  H   UNL     1      13.955   4.178   0.795  1.00  0.00           H  
HETATM  102  H   UNL     1      13.009   2.960  -1.147  1.00  0.00           H  
HETATM  103  H   UNL     1      13.358   1.410  -0.345  1.00  0.00           H  
HETATM  104  H   UNL     1      11.875   2.049   1.537  1.00  0.00           H  
HETATM  105  H   UNL     1      11.525   3.599   0.735  1.00  0.00           H  
HETATM  106  H   UNL     1      10.579   2.381  -1.207  1.00  0.00           H  
HETATM  107  H   UNL     1      10.929   0.831  -0.405  1.00  0.00           H  
HETATM  108  H   UNL     1       9.445   1.469   1.476  1.00  0.00           H  
HETATM  109  H   UNL     1       9.095   3.019   0.674  1.00  0.00           H  
HETATM  110  H   UNL     1       8.149   1.802  -1.268  1.00  0.00           H  
HETATM  111  H   UNL     1       8.499   0.251  -0.466  1.00  0.00           H  
HETATM  112  H   UNL     1       7.015   0.890   1.415  1.00  0.00           H  
HETATM  113  H   UNL     1       6.666   2.440   0.614  1.00  0.00           H  
HETATM  114  H   UNL     1       5.720   1.222  -1.328  1.00  0.00           H  
HETATM  115  H   UNL     1       6.069  -0.328  -0.526  1.00  0.00           H  
HETATM  116  H   UNL     1       4.586   0.311   1.355  1.00  0.00           H  
HETATM  117  H   UNL     1       4.236   1.861   0.553  1.00  0.00           H  
HETATM  118  H   UNL     1       3.290   0.643  -1.389  1.00  0.00           H  
HETATM  119  H   UNL     1       3.640  -0.907  -0.587  1.00  0.00           H  
HETATM  120  H   UNL     1       2.156  -0.269   1.294  1.00  0.00           H  
HETATM  121  H   UNL     1       1.806   1.281   0.492  1.00  0.00           H  
HETATM  122  H   UNL     1       0.861   0.064  -1.449  1.00  0.00           H  
HETATM  123  H   UNL     1       1.210  -1.487  -0.648  1.00  0.00           H  
HETATM  124  H   UNL     1      -0.274  -0.848   1.234  1.00  0.00           H  
HETATM  125  H   UNL     1      -0.623   0.702   0.432  1.00  0.00           H  
HETATM  126  H   UNL     1      -1.569  -0.516  -1.510  1.00  0.00           H  
HETATM  127  H   UNL     1      -1.219  -2.066  -0.708  1.00  0.00           H  
HETATM  128  H   UNL     1      -2.703  -1.427   1.173  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.053   0.123   0.371  1.00  0.00           H  
HETATM  130  H   UNL     1      -5.355  -1.229   0.738  1.00  0.00           H  
HETATM  131  H   UNL     1      -6.023  -2.102  -1.968  1.00  0.00           H  
HETATM  132  H   UNL     1      -7.762  -1.886   0.531  1.00  0.00           H  
HETATM  133  H   UNL     1      -8.429  -2.179  -2.278  1.00  0.00           H  
HETATM  134  H   UNL     1      -7.334   0.047  -1.792  1.00  0.00           H  
HETATM  135  H   UNL     1      -6.628   0.274   1.015  1.00  0.00           H  
HETATM  136  H   UNL     1      -9.682  -0.076  -0.908  1.00  0.00           H  
HETATM  137  H   UNL     1      -9.054   0.300   0.715  1.00  0.00           H  
HETATM  138  H   UNL     1      -8.120   2.431  -0.142  1.00  0.00           H  
HETATM  139  H   UNL     1      -8.748   2.055  -1.764  1.00  0.00           H  
HETATM  140  H   UNL     1     -11.056   2.010  -0.860  1.00  0.00           H  
HETATM  141  H   UNL     1     -10.428   2.386   0.762  1.00  0.00           H  
HETATM  142  H   UNL     1      -9.494   4.517  -0.094  1.00  0.00           H  
HETATM  143  H   UNL     1     -10.122   4.141  -1.716  1.00  0.00           H  
HETATM  144  H   UNL     1     -12.430   4.096  -0.812  1.00  0.00           H  
HETATM  145  H   UNL     1     -11.802   4.472   0.810  1.00  0.00           H  
HETATM  146  H   UNL     1     -10.868   6.603  -0.046  1.00  0.00           H  
HETATM  147  H   UNL     1     -11.496   6.227  -1.669  1.00  0.00           H  
HETATM  148  H   UNL     1     -13.804   6.182  -0.765  1.00  0.00           H  
HETATM  149  H   UNL     1     -13.176   6.558   0.858  1.00  0.00           H  
HETATM  150  H   UNL     1     -12.242   8.690   0.001  1.00  0.00           H  
HETATM  151  H   UNL     1     -12.870   8.313  -1.621  1.00  0.00           H  
HETATM  152  H   UNL     1     -15.179   8.268  -0.717  1.00  0.00           H  
HETATM  153  H   UNL     1     -14.550   8.645   0.905  1.00  0.00           H  
HETATM  154  H   UNL     1     -13.616  10.776   0.049  1.00  0.00           H  
HETATM  155  H   UNL     1     -14.244  10.399  -1.573  1.00  0.00           H  
HETATM  156  H   UNL     1     -16.553  10.354  -0.669  1.00  0.00           H  
HETATM  157  H   UNL     1     -15.925  10.731   0.953  1.00  0.00           H  
HETATM  158  H   UNL     1     -14.990  12.862   0.097  1.00  0.00           H  
HETATM  159  H   UNL     1     -15.618  12.485  -1.526  1.00  0.00           H  
HETATM  160  H   UNL     1     -17.927  12.440  -0.622  1.00  0.00           H  
HETATM  161  H   UNL     1     -17.299  12.817   1.001  1.00  0.00           H  
HETATM  162  H   UNL     1     -16.364  14.948   0.145  1.00  0.00           H  
HETATM  163  H   UNL     1     -16.992  14.571  -1.478  1.00  0.00           H  
HETATM  164  H   UNL     1     -18.121  14.863  -0.132  1.00  0.00           H  
HETATM  165  H   UNL     1      -6.946  -4.263  -1.256  1.00  0.00           H  
HETATM  166  H   UNL     1      -5.219  -4.185  -0.831  1.00  0.00           H  
HETATM  167  H   UNL     1      -7.175  -5.933   0.413  1.00  0.00           H  
HETATM  168  H   UNL     1      -7.220  -6.569   2.796  1.00  0.00           H  
HETATM  169  H   UNL     1      -9.089  -5.353   1.932  1.00  0.00           H  
HETATM  170  H   UNL     1      -7.669  -4.626   4.978  1.00  0.00           H  
HETATM  171  H   UNL     1      -5.178  -6.889   4.720  1.00  0.00           H  
HETATM  172  H   UNL     1      -1.152  -5.515  -1.626  1.00  0.00           H  
HETATM  173  H   UNL     1      -0.801  -6.218  -3.406  1.00  0.00           H  
HETATM  174  H   UNL     1      -0.016  -6.750  -5.650  1.00  0.00           H  
HETATM  175  H   UNL     1       2.299  -7.477  -6.034  1.00  0.00           H  
HETATM  176  H   UNL     1       3.866  -7.686  -4.181  1.00  0.00           H  
HETATM  177  H   UNL     1       4.330  -7.495  -1.758  1.00  0.00           H  
HETATM  178  H   UNL     1       3.560  -6.962   0.488  1.00  0.00           H  
HETATM  179  H   UNL     1       1.250  -6.232   0.891  1.00  0.00           H  
CONECT    1    2   59    4   74                                       
CONECT    2    3   55    1   75                                       
CONECT    3   60    2   76   77                                       
CONECT    4    1   56   58   78                                       
CONECT    5    6   79   80   81                                       
CONECT    6    7    5   82   83                                       
CONECT    7    8    6   84   85                                       
CONECT    8    9    7   86   87                                       
CONECT    9   10    8   88   89                                       
CONECT   10   11    9   90   91                                       
CONECT   11   12   10   92   93                                       
CONECT   12   13   11   94   95                                       
CONECT   13   12   14   96   97                                       
CONECT   14   13   15   98   99                                       
CONECT   15   14   16  100  101                                       
CONECT   16   15   17  102  103                                       
CONECT   17   16   18  104  105                                       
CONECT   18   17   19  106  107                                       
CONECT   19   18   20  108  109                                       
CONECT   20   19   21  110  111                                       
CONECT   21   20   22  112  113                                       
CONECT   22   21   23  114  115                                       
CONECT   23   22   24  116  117                                       
CONECT   24   23   25  118  119                                       
CONECT   25   26   24  120  121                                       
CONECT   26   27   25  122  123                                       
CONECT   27   28   26  124  125                                       
CONECT   28   29   27  126  127                                       
CONECT   29   30   28  128  129                                       
CONECT   30   31   31   29   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33  130                                            
CONECT   33   52   32   34  131                                       
CONECT   34   33   35   36  132                                       
CONECT   35   34  133                                                 
CONECT   36   34   38   37  134                                       
CONECT   37   36  135                                                 
CONECT   38   36   39  136  137                                       
CONECT   39   38   40  138  139                                       
CONECT   40   39   41  140  141                                       
CONECT   41   40   42  142  143                                       
CONECT   42   41   43  144  145                                       
CONECT   43   42   44  146  147                                       
CONECT   44   43   45  148  149                                       
CONECT   45   44   46  150  151                                       
CONECT   46   45   47  152  153                                       
CONECT   47   46   48  154  155                                       
CONECT   48   47   49  156  157                                       
CONECT   49   50   48  158  159                                       
CONECT   50   49   51  160  161                                       
CONECT   51   50  162  163  164                                       
CONECT   52   53   33  165  166                                       
CONECT   53   54   52                                                 
CONECT   54   55   53   56  167                                       
CONECT   55    2   54                                                 
CONECT   56   54    4   57  168                                       
CONECT   57   56  169                                                 
CONECT   58    4  170                                                 
CONECT   59    1  171                                                 
CONECT   60   61    3                                                 
CONECT   61   63   60   62   62                                       
CONECT   62   61   61                                                 
CONECT   63   64   61  172                                            
CONECT   64   73   63   65   65                                       
CONECT   65   64   64   70   66                                       
CONECT   66   65   67   67  173                                       
CONECT   67   66   66   68  174                                       
CONECT   68   69   69   67  175                                       
CONECT   69   70   68   68  176                                       
CONECT   70   71   71   65   69                                       
CONECT   71   72   70   70  177                                       
CONECT   72   73   73   71  178                                       
CONECT   73   72   72   64  179                                       
CONECT   74    1                                                      
CONECT   75    2                                                      
CONECT   76    3                                                      
CONECT   77    3                                                      
CONECT   78    4                                                      
CONECT   79    5                                                      
CONECT   80    5                                                      
CONECT   81    5                                                      
CONECT   82    6                                                      
CONECT   83    6                                                      
CONECT   84    7                                                      
CONECT   85    7                                                      
CONECT   86    8                                                      
CONECT   87    8                                                      
CONECT   88    9                                                      
CONECT   89    9                                                      
CONECT   90   10                                                      
CONECT   91   10                                                      
CONECT   92   11                                                      
CONECT   93   11                                                      
CONECT   94   12                                                      
CONECT   95   12                                                      
CONECT   96   13                                                      
CONECT   97   13                                                      
CONECT   98   14                                                      
CONECT   99   14                                                      
CONECT  100   15                                                      
CONECT  101   15                                                      
CONECT  102   16                                                      
CONECT  103   16                                                      
CONECT  104   17                                                      
CONECT  105   17                                                      
CONECT  106   18                                                      
CONECT  107   18                                                      
CONECT  108   19                                                      
CONECT  109   19                                                      
CONECT  110   20                                                      
CONECT  111   20                                                      
CONECT  112   21                                                      
CONECT  113   21                                                      
CONECT  114   22                                                      
CONECT  115   22                                                      
CONECT  116   23                                                      
CONECT  117   23                                                      
CONECT  118   24                                                      
CONECT  119   24                                                      
CONECT  120   25                                                      
CONECT  121   25                                                      
CONECT  122   26                                                      
CONECT  123   26                                                      
CONECT  124   27                                                      
CONECT  125   27                                                      
CONECT  126   28                                                      
CONECT  127   28                                                      
CONECT  128   29                                                      
CONECT  129   29                                                      
CONECT  130   32                                                      
CONECT  131   33                                                      
CONECT  132   34                                                      
CONECT  133   35                                                      
CONECT  134   36                                                      
CONECT  135   37                                                      
CONECT  136   38                                                      
CONECT  137   38                                                      
CONECT  138   39                                                      
CONECT  139   39                                                      
CONECT  140   40                                                      
CONECT  141   40                                                      
CONECT  142   41                                                      
CONECT  143   41                                                      
CONECT  144   42                                                      
CONECT  145   42                                                      
CONECT  146   43                                                      
CONECT  147   43                                                      
CONECT  148   44                                                      
CONECT  149   44                                                      
CONECT  150   45                                                      
CONECT  151   45                                                      
CONECT  152   46                                                      
CONECT  153   46                                                      
CONECT  154   47                                                      
CONECT  155   47                                                      
CONECT  156   48                                                      
CONECT  157   48                                                      
CONECT  158   49                                                      
CONECT  159   49                                                      
CONECT  160   50                                                      
CONECT  161   50                                                      
CONECT  162   51                                                      
CONECT  163   51                                                      
CONECT  164   51                                                      
CONECT  165   52                                                      
CONECT  166   52                                                      
CONECT  167   54                                                      
CONECT  168   56                                                      
CONECT  169   57                                                      
CONECT  170   58                                                      
CONECT  171   59                                                      
CONECT  172   63                                                      
CONECT  173   66                                                      
CONECT  174   67                                                      
CONECT  175   68                                                      
CONECT  176   69                                                      
CONECT  177   71                                                      
CONECT  178   72                                                      
CONECT  179   73                                                      
MASTER        0    0    0    0    0    0    0    0  179    0  179    0
END
