COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.309  -4.064   0.749  1.00  0.00           C  
HETATM    2  C   UNL     1       6.292  -2.564   1.050  1.00  0.00           C  
HETATM    3  N   UNL     1       5.238  -1.920   0.262  1.00  0.00           N  
HETATM    4  C   UNL     1       7.647  -1.955   0.683  1.00  0.00           C  
HETATM    5  O   UNL     1       8.680  -2.614   1.418  1.00  0.00           O  
HETATM    6  C   UNL     1       7.647  -0.465   1.028  1.00  0.00           C  
HETATM    7  C   UNL     1       8.953   0.170   0.548  1.00  0.00           C  
HETATM    8  C   UNL     1       8.953   1.661   0.894  1.00  0.00           C  
HETATM    9  C   UNL     1      10.260   2.296   0.414  1.00  0.00           C  
HETATM   10  C   UNL     1      10.260   3.786   0.759  1.00  0.00           C  
HETATM   11  C   UNL     1      11.566   4.421   0.279  1.00  0.00           C  
HETATM   12  C   UNL     1      11.566   5.912   0.624  1.00  0.00           C  
HETATM   13  C   UNL     1      12.873   6.547   0.144  1.00  0.00           C  
HETATM   14  C   UNL     1      12.873   8.037   0.490  1.00  0.00           C  
HETATM   15  C   UNL     1      14.179   8.672   0.010  1.00  0.00           C  
HETATM   16  C   UNL     1      14.179  10.163   0.355  1.00  0.00           C  
HETATM   17  C   UNL     1      15.486  10.797  -0.125  1.00  0.00           C  
HETATM   18  C   UNL     1      15.486  12.288   0.221  1.00  0.00           C  
HETATM   19  C   UNL     1      16.792  12.923  -0.260  1.00  0.00           C  
HETATM   20  C   UNL     1      16.792  14.413   0.086  1.00  0.00           C  
HETATM   21  C   UNL     1       6.705  -5.646  -1.007  1.00  0.00           C  
HETATM   22  O   UNL     1       6.661  -4.271  -0.620  1.00  0.00           O  
HETATM   23  C   UNL     1       7.327  -5.765  -2.401  1.00  0.00           C  
HETATM   24  O   UNL     1       8.632  -5.182  -2.393  1.00  0.00           O  
HETATM   25  C   UNL     1       6.442  -5.027  -3.410  1.00  0.00           C  
HETATM   26  O   UNL     1       6.976  -5.194  -4.725  1.00  0.00           O  
HETATM   27  C   UNL     1       5.027  -5.609  -3.354  1.00  0.00           C  
HETATM   28  O   UNL     1       5.059  -6.982  -3.746  1.00  0.00           O  
HETATM   29  C   UNL     1       4.494  -5.496  -1.923  1.00  0.00           C  
HETATM   30  O   UNL     1       5.379  -6.178  -1.031  1.00  0.00           O  
HETATM   31  C   UNL     1       3.972  -1.895   0.724  1.00  0.00           C  
HETATM   32  O   UNL     1       3.705  -2.406   1.791  1.00  0.00           O  
HETATM   33  C   UNL     1       2.888  -1.232  -0.086  1.00  0.00           C  
HETATM   34  C   UNL     1       1.555  -1.344   0.658  1.00  0.00           C  
HETATM   35  C   UNL     1       0.454  -0.671  -0.165  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.878  -0.782   0.579  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.979  -0.109  -0.243  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.311  -0.221   0.501  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.412   0.452  -0.322  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.745   0.341   0.422  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.846   1.014  -0.400  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.178   0.902   0.343  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.279   1.575  -0.479  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.611   1.464   0.265  1.00  0.00           C  
HETATM   45  C   UNL     1     -11.712   2.137  -0.558  1.00  0.00           C  
HETATM   46  C   UNL     1     -13.045   2.025   0.186  1.00  0.00           C  
HETATM   47  C   UNL     1     -14.146   2.698  -0.636  1.00  0.00           C  
HETATM   48  C   UNL     1     -15.478   2.587   0.108  1.00  0.00           C  
HETATM   49  C   UNL     1     -16.579   3.260  -0.715  1.00  0.00           C  
HETATM   50  C   UNL     1     -17.911   3.148   0.029  1.00  0.00           C  
HETATM   51  C   UNL     1     -19.012   3.821  -0.793  1.00  0.00           C  
HETATM   52  C   UNL     1     -20.345   3.710  -0.049  1.00  0.00           C  
HETATM   53  C   UNL     1     -21.445   4.382  -0.872  1.00  0.00           C  
HETATM   54  C   UNL     1     -22.778   4.271  -0.128  1.00  0.00           C  
HETATM   55  C   UNL     1     -23.879   4.944  -0.950  1.00  0.00           C  
HETATM   56  C   UNL     1     -25.211   4.833  -0.207  1.00  0.00           C  
HETATM   57  C   UNL     1     -26.312   5.505  -1.029  1.00  0.00           C  
HETATM   58  C   UNL     1       1.325  -6.418  -0.285  1.00  0.00           C  
HETATM   59  C   UNL     1      -1.336  -6.715   2.422  1.00  0.00           C  
HETATM   60  C   UNL     1      -1.136  -7.658   3.413  1.00  0.00           C  
HETATM   61  C   UNL     1      -1.718  -7.490   4.655  1.00  0.00           C  
HETATM   62  C   UNL     1      -2.501  -6.379   4.907  1.00  0.00           C  
HETATM   63  C   UNL     1      -2.701  -5.436   3.917  1.00  0.00           C  
HETATM   64  C   UNL     1      -2.119  -5.604   2.674  1.00  0.00           C  
HETATM   65  C   UNL     1       3.103  -6.130  -1.845  1.00  0.00           C  
HETATM   66  O   UNL     1       2.549  -5.919  -0.520  1.00  0.00           O  
HETATM   67  O   UNL     1       0.737  -7.010  -1.158  1.00  0.00           O  
HETATM   68  C   UNL     1       0.685  -6.238   1.068  1.00  0.00           C  
HETATM   69  C   UNL     1      -0.697  -6.895   1.070  1.00  0.00           C  
HETATM   70  H   UNL     1       7.040  -4.555   1.391  1.00  0.00           H  
HETATM   71  H   UNL     1       5.320  -4.483   0.938  1.00  0.00           H  
HETATM   72  H   UNL     1       6.099  -2.408   2.111  1.00  0.00           H  
HETATM   73  H   UNL     1       5.451  -1.511  -0.591  1.00  0.00           H  
HETATM   74  H   UNL     1       7.824  -2.080  -0.385  1.00  0.00           H  
HETATM   75  H   UNL     1       8.547  -2.607   2.375  1.00  0.00           H  
HETATM   76  H   UNL     1       6.804   0.022   0.537  1.00  0.00           H  
HETATM   77  H   UNL     1       7.558  -0.342   2.108  1.00  0.00           H  
HETATM   78  H   UNL     1       9.796  -0.317   1.039  1.00  0.00           H  
HETATM   79  H   UNL     1       9.042   0.048  -0.531  1.00  0.00           H  
HETATM   80  H   UNL     1       8.111   2.148   0.403  1.00  0.00           H  
HETATM   81  H   UNL     1       8.865   1.783   1.973  1.00  0.00           H  
HETATM   82  H   UNL     1      11.102   1.809   0.905  1.00  0.00           H  
HETATM   83  H   UNL     1      10.348   2.173  -0.666  1.00  0.00           H  
HETATM   84  H   UNL     1       9.417   4.273   0.268  1.00  0.00           H  
HETATM   85  H   UNL     1      10.172   3.909   1.839  1.00  0.00           H  
HETATM   86  H   UNL     1      12.409   3.934   0.770  1.00  0.00           H  
HETATM   87  H   UNL     1      11.655   4.299  -0.801  1.00  0.00           H  
HETATM   88  H   UNL     1      10.724   6.398   0.133  1.00  0.00           H  
HETATM   89  H   UNL     1      11.478   6.034   1.704  1.00  0.00           H  
HETATM   90  H   UNL     1      13.715   6.060   0.635  1.00  0.00           H  
HETATM   91  H   UNL     1      12.961   6.424  -0.935  1.00  0.00           H  
HETATM   92  H   UNL     1      12.030   8.524  -0.001  1.00  0.00           H  
HETATM   93  H   UNL     1      12.784   8.160   1.569  1.00  0.00           H  
HETATM   94  H   UNL     1      15.022   8.185   0.501  1.00  0.00           H  
HETATM   95  H   UNL     1      14.268   8.549  -1.070  1.00  0.00           H  
HETATM   96  H   UNL     1      13.337  10.649  -0.136  1.00  0.00           H  
HETATM   97  H   UNL     1      14.091  10.285   1.435  1.00  0.00           H  
HETATM   98  H   UNL     1      16.328  10.311   0.366  1.00  0.00           H  
HETATM   99  H   UNL     1      15.574  10.675  -1.204  1.00  0.00           H  
HETATM  100  H   UNL     1      14.643  12.775  -0.271  1.00  0.00           H  
HETATM  101  H   UNL     1      15.397  12.411   1.300  1.00  0.00           H  
HETATM  102  H   UNL     1      17.635  12.436   0.231  1.00  0.00           H  
HETATM  103  H   UNL     1      16.881  12.800  -1.339  1.00  0.00           H  
HETATM  104  H   UNL     1      15.950  14.900  -0.405  1.00  0.00           H  
HETATM  105  H   UNL     1      16.704  14.536   1.165  1.00  0.00           H  
HETATM  106  H   UNL     1      17.723  14.866  -0.256  1.00  0.00           H  
HETATM  107  H   UNL     1       7.308  -6.206  -0.291  1.00  0.00           H  
HETATM  108  H   UNL     1       7.398  -6.816  -2.680  1.00  0.00           H  
HETATM  109  H   UNL     1       9.245  -5.598  -1.771  1.00  0.00           H  
HETATM  110  H   UNL     1       6.411  -3.966  -3.160  1.00  0.00           H  
HETATM  111  H   UNL     1       7.874  -4.853  -4.832  1.00  0.00           H  
HETATM  112  H   UNL     1       4.377  -5.052  -4.029  1.00  0.00           H  
HETATM  113  H   UNL     1       5.391  -7.128  -4.642  1.00  0.00           H  
HETATM  114  H   UNL     1       4.431  -4.445  -1.640  1.00  0.00           H  
HETATM  115  H   UNL     1       3.135  -0.181  -0.233  1.00  0.00           H  
HETATM  116  H   UNL     1       2.805  -1.725  -1.055  1.00  0.00           H  
HETATM  117  H   UNL     1       1.308  -2.395   0.805  1.00  0.00           H  
HETATM  118  H   UNL     1       1.638  -0.851   1.626  1.00  0.00           H  
HETATM  119  H   UNL     1       0.702   0.381  -0.312  1.00  0.00           H  
HETATM  120  H   UNL     1       0.372  -1.163  -1.133  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.125  -1.833   0.726  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.796  -0.289   1.548  1.00  0.00           H  
HETATM  123  H   UNL     1      -1.732   0.942  -0.390  1.00  0.00           H  
HETATM  124  H   UNL     1      -2.062  -0.602  -1.212  1.00  0.00           H  
HETATM  125  H   UNL     1      -3.559  -1.272   0.647  1.00  0.00           H  
HETATM  126  H   UNL     1      -3.229   0.272   1.469  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.165   1.503  -0.469  1.00  0.00           H  
HETATM  128  H   UNL     1      -4.495  -0.041  -1.291  1.00  0.00           H  
HETATM  129  H   UNL     1      -5.992  -0.710   0.569  1.00  0.00           H  
HETATM  130  H   UNL     1      -5.662   0.834   1.391  1.00  0.00           H  
HETATM  131  H   UNL     1      -6.598   2.065  -0.548  1.00  0.00           H  
HETATM  132  H   UNL     1      -6.928   0.521  -1.369  1.00  0.00           H  
HETATM  133  H   UNL     1      -8.425  -0.149   0.490  1.00  0.00           H  
HETATM  134  H   UNL     1      -8.096   1.395   1.312  1.00  0.00           H  
HETATM  135  H   UNL     1      -9.032   2.626  -0.626  1.00  0.00           H  
HETATM  136  H   UNL     1      -9.361   1.082  -1.448  1.00  0.00           H  
HETATM  137  H   UNL     1     -10.859   0.412   0.412  1.00  0.00           H  
HETATM  138  H   UNL     1     -10.529   1.957   1.234  1.00  0.00           H  
HETATM  139  H   UNL     1     -11.465   3.188  -0.705  1.00  0.00           H  
HETATM  140  H   UNL     1     -11.795   1.644  -1.526  1.00  0.00           H  
HETATM  141  H   UNL     1     -13.292   0.974   0.333  1.00  0.00           H  
HETATM  142  H   UNL     1     -12.962   2.518   1.155  1.00  0.00           H  
HETATM  143  H   UNL     1     -13.898   3.749  -0.783  1.00  0.00           H  
HETATM  144  H   UNL     1     -14.228   2.205  -1.605  1.00  0.00           H  
HETATM  145  H   UNL     1     -15.725   1.535   0.255  1.00  0.00           H  
HETATM  146  H   UNL     1     -15.396   3.079   1.076  1.00  0.00           H  
HETATM  147  H   UNL     1     -16.332   4.311  -0.862  1.00  0.00           H  
HETATM  148  H   UNL     1     -16.661   2.767  -1.684  1.00  0.00           H  
HETATM  149  H   UNL     1     -18.159   2.097   0.176  1.00  0.00           H  
HETATM  150  H   UNL     1     -17.829   3.641   0.998  1.00  0.00           H  
HETATM  151  H   UNL     1     -18.765   4.872  -0.940  1.00  0.00           H  
HETATM  152  H   UNL     1     -19.095   3.328  -1.762  1.00  0.00           H  
HETATM  153  H   UNL     1     -20.592   2.658   0.097  1.00  0.00           H  
HETATM  154  H   UNL     1     -20.262   4.202   0.919  1.00  0.00           H  
HETATM  155  H   UNL     1     -21.198   5.434  -1.019  1.00  0.00           H  
HETATM  156  H   UNL     1     -21.528   3.890  -1.841  1.00  0.00           H  
HETATM  157  H   UNL     1     -23.025   3.220   0.019  1.00  0.00           H  
HETATM  158  H   UNL     1     -22.695   4.764   0.841  1.00  0.00           H  
HETATM  159  H   UNL     1     -23.632   5.995  -1.097  1.00  0.00           H  
HETATM  160  H   UNL     1     -23.961   4.451  -1.919  1.00  0.00           H  
HETATM  161  H   UNL     1     -25.458   3.781  -0.060  1.00  0.00           H  
HETATM  162  H   UNL     1     -25.129   5.325   0.762  1.00  0.00           H  
HETATM  163  H   UNL     1     -26.395   5.013  -1.998  1.00  0.00           H  
HETATM  164  H   UNL     1     -27.261   5.426  -0.499  1.00  0.00           H  
HETATM  165  H   UNL     1     -26.065   6.557  -1.176  1.00  0.00           H  
HETATM  166  H   UNL     1      -0.524  -8.526   3.216  1.00  0.00           H  
HETATM  167  H   UNL     1      -1.562  -8.228   5.429  1.00  0.00           H  
HETATM  168  H   UNL     1      -2.956  -6.248   5.878  1.00  0.00           H  
HETATM  169  H   UNL     1      -3.313  -4.568   4.114  1.00  0.00           H  
HETATM  170  H   UNL     1      -2.276  -4.867   1.900  1.00  0.00           H  
HETATM  171  H   UNL     1       2.453  -5.670  -2.588  1.00  0.00           H  
HETATM  172  H   UNL     1       3.180  -7.200  -2.041  1.00  0.00           H  
HETATM  173  H   UNL     1       1.310  -6.703   1.830  1.00  0.00           H  
HETATM  174  H   UNL     1       0.582  -5.174   1.283  1.00  0.00           H  
HETATM  175  H   UNL     1      -0.593  -7.958   0.855  1.00  0.00           H  
HETATM  176  H   UNL     1      -1.321  -6.429   0.307  1.00  0.00           H  
CONECT    1   22    2   70   71                                       
CONECT    2    1    4    3   72                                       
CONECT    3    2   31   73                                            
CONECT    4    5    2    6   74                                       
CONECT    5    4   75                                                 
CONECT    6    4    7   76   77                                       
CONECT    7    6    8   78   79                                       
CONECT    8    7    9   80   81                                       
CONECT    9    8   10   82   83                                       
CONECT   10    9   11   84   85                                       
CONECT   11   12   10   86   87                                       
CONECT   12   13   11   88   89                                       
CONECT   13   14   12   90   91                                       
CONECT   14   15   13   92   93                                       
CONECT   15   16   14   94   95                                       
CONECT   16   17   15   96   97                                       
CONECT   17   18   16   98   99                                       
CONECT   18   19   17  100  101                                       
CONECT   19   20   18  102  103                                       
CONECT   20   19  104  105  106                                       
CONECT   21   23   22   30  107                                       
CONECT   22   21    1                                                 
CONECT   23   24   21   25  108                                       
CONECT   24   23  109                                                 
CONECT   25   23   26   27  110                                       
CONECT   26   25  111                                                 
CONECT   27   28   25   29  112                                       
CONECT   28   27  113                                                 
CONECT   29   30   27   65  114                                       
CONECT   30   21   29                                                 
CONECT   31    3   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34  115  116                                       
CONECT   34   33   35  117  118                                       
CONECT   35   34   36  119  120                                       
CONECT   36   35   37  121  122                                       
CONECT   37   36   38  123  124                                       
CONECT   38   37   39  125  126                                       
CONECT   39   38   40  127  128                                       
CONECT   40   39   41  129  130                                       
CONECT   41   42   40  131  132                                       
CONECT   42   43   41  133  134                                       
CONECT   43   44   42  135  136                                       
CONECT   44   43   45  137  138                                       
CONECT   45   44   46  139  140                                       
CONECT   46   45   47  141  142                                       
CONECT   47   46   48  143  144                                       
CONECT   48   47   49  145  146                                       
CONECT   49   48   50  147  148                                       
CONECT   50   49   51  149  150                                       
CONECT   51   50   52  151  152                                       
CONECT   52   51   53  153  154                                       
CONECT   53   52   54  155  156                                       
CONECT   54   55   53  157  158                                       
CONECT   55   56   54  159  160                                       
CONECT   56   57   55  161  162                                       
CONECT   57   56  163  164  165                                       
CONECT   58   66   67   67   68                                       
CONECT   59   69   64   64   60                                       
CONECT   60   59   61   61  166                                       
CONECT   61   60   60   62  167                                       
CONECT   62   63   63   61  168                                       
CONECT   63   64   62   62  169                                       
CONECT   64   59   59   63  170                                       
CONECT   65   29   66  171  172                                       
CONECT   66   65   58                                                 
CONECT   67   58   58                                                 
CONECT   68   58   69  173  174                                       
CONECT   69   68   59  175  176                                       
CONECT   70    1                                                      
CONECT   71    1                                                      
CONECT   72    2                                                      
CONECT   73    3                                                      
CONECT   74    4                                                      
CONECT   75    5                                                      
CONECT   76    6                                                      
CONECT   77    6                                                      
CONECT   78    7                                                      
CONECT   79    7                                                      
CONECT   80    8                                                      
CONECT   81    8                                                      
CONECT   82    9                                                      
CONECT   83    9                                                      
CONECT   84   10                                                      
CONECT   85   10                                                      
CONECT   86   11                                                      
CONECT   87   11                                                      
CONECT   88   12                                                      
CONECT   89   12                                                      
CONECT   90   13                                                      
CONECT   91   13                                                      
CONECT   92   14                                                      
CONECT   93   14                                                      
CONECT   94   15                                                      
CONECT   95   15                                                      
CONECT   96   16                                                      
CONECT   97   16                                                      
CONECT   98   17                                                      
CONECT   99   17                                                      
CONECT  100   18                                                      
CONECT  101   18                                                      
CONECT  102   19                                                      
CONECT  103   19                                                      
CONECT  104   20                                                      
CONECT  105   20                                                      
CONECT  106   20                                                      
CONECT  107   21                                                      
CONECT  108   23                                                      
CONECT  109   24                                                      
CONECT  110   25                                                      
CONECT  111   26                                                      
CONECT  112   27                                                      
CONECT  113   28                                                      
CONECT  114   29                                                      
CONECT  115   33                                                      
CONECT  116   33                                                      
CONECT  117   34                                                      
CONECT  118   34                                                      
CONECT  119   35                                                      
CONECT  120   35                                                      
CONECT  121   36                                                      
CONECT  122   36                                                      
CONECT  123   37                                                      
CONECT  124   37                                                      
CONECT  125   38                                                      
CONECT  126   38                                                      
CONECT  127   39                                                      
CONECT  128   39                                                      
CONECT  129   40                                                      
CONECT  130   40                                                      
CONECT  131   41                                                      
CONECT  132   41                                                      
CONECT  133   42                                                      
CONECT  134   42                                                      
CONECT  135   43                                                      
CONECT  136   43                                                      
CONECT  137   44                                                      
CONECT  138   44                                                      
CONECT  139   45                                                      
CONECT  140   45                                                      
CONECT  141   46                                                      
CONECT  142   46                                                      
CONECT  143   47                                                      
CONECT  144   47                                                      
CONECT  145   48                                                      
CONECT  146   48                                                      
CONECT  147   49                                                      
CONECT  148   49                                                      
CONECT  149   50                                                      
CONECT  150   50                                                      
CONECT  151   51                                                      
CONECT  152   51                                                      
CONECT  153   52                                                      
CONECT  154   52                                                      
CONECT  155   53                                                      
CONECT  156   53                                                      
CONECT  157   54                                                      
CONECT  158   54                                                      
CONECT  159   55                                                      
CONECT  160   55                                                      
CONECT  161   56                                                      
CONECT  162   56                                                      
CONECT  163   57                                                      
CONECT  164   57                                                      
CONECT  165   57                                                      
CONECT  166   60                                                      
CONECT  167   61                                                      
CONECT  168   62                                                      
CONECT  169   63                                                      
CONECT  170   64                                                      
CONECT  171   65                                                      
CONECT  172   65                                                      
CONECT  173   68                                                      
CONECT  174   68                                                      
CONECT  175   69                                                      
CONECT  176   69                                                      
MASTER        0    0    0    0    0    0    0    0  176    0  176    0
END
