COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.106  -4.511   1.272  1.00  0.00           C  
HETATM    2  C   UNL     1       2.549  -5.489   0.728  1.00  0.00           C  
HETATM    3  C   UNL     1       3.887  -4.817   0.415  1.00  0.00           C  
HETATM    4  C   UNL     1       4.423  -5.344  -0.919  1.00  0.00           C  
HETATM    5  C   UNL     1       5.791  -4.713  -1.196  1.00  0.00           C  
HETATM    6  C   UNL     1       6.731  -5.026  -0.028  1.00  0.00           C  
HETATM    7  C   UNL     1      15.636  15.680  -2.086  1.00  0.00           C  
HETATM    8  C   UNL     1      15.663  14.151  -2.137  1.00  0.00           C  
HETATM    9  C   UNL     1      14.359  13.598  -1.558  1.00  0.00           C  
HETATM   10  C   UNL     1      14.386  12.069  -1.609  1.00  0.00           C  
HETATM   11  C   UNL     1      13.082  11.517  -1.031  1.00  0.00           C  
HETATM   12  C   UNL     1      13.109   9.988  -1.082  1.00  0.00           C  
HETATM   13  C   UNL     1      11.804   9.435  -0.503  1.00  0.00           C  
HETATM   14  C   UNL     1      11.831   7.906  -0.554  1.00  0.00           C  
HETATM   15  C   UNL     1      10.527   7.354   0.024  1.00  0.00           C  
HETATM   16  C   UNL     1      10.554   5.825  -0.027  1.00  0.00           C  
HETATM   17  C   UNL     1       9.250   5.272   0.552  1.00  0.00           C  
HETATM   18  C   UNL     1       9.277   3.743   0.501  1.00  0.00           C  
HETATM   19  C   UNL     1       7.973   3.191   1.079  1.00  0.00           C  
HETATM   20  C   UNL     1       8.000   1.662   1.028  1.00  0.00           C  
HETATM   21  C   UNL     1       6.695   1.109   1.607  1.00  0.00           C  
HETATM   22  O   UNL     1       5.602   1.496   0.772  1.00  0.00           O  
HETATM   23  C   UNL     1       6.773  -0.418   1.671  1.00  0.00           C  
HETATM   24  O   UNL     1       7.866  -0.805   2.506  1.00  0.00           O  
HETATM   25  C   UNL     1       5.468  -0.970   2.250  1.00  0.00           C  
HETATM   26  C   UNL     1       5.596  -2.483   2.442  1.00  0.00           C  
HETATM   27  O   UNL     1       5.960  -3.092   1.202  1.00  0.00           O  
HETATM   28  O   UNL     1       7.989  -4.381  -0.241  1.00  0.00           O  
HETATM   29  O   UNL     1       6.332  -5.254  -2.403  1.00  0.00           O  
HETATM   30  O   UNL     1       4.824  -5.114   1.453  1.00  0.00           O  
HETATM   31  O   UNL     1       1.993  -4.915   1.913  1.00  0.00           O  
HETATM   32  O   UNL     1       4.558  -6.765  -0.852  1.00  0.00           O  
HETATM   33  C   UNL     1       4.383  -7.425  -2.108  1.00  0.00           C  
HETATM   34  C   UNL     1       4.545  -8.911  -1.921  1.00  0.00           C  
HETATM   35  C   UNL     1       3.446  -9.694  -1.619  1.00  0.00           C  
HETATM   36  C   UNL     1       3.595 -11.057  -1.447  1.00  0.00           C  
HETATM   37  C   UNL     1       4.843 -11.639  -1.578  1.00  0.00           C  
HETATM   38 CL   UNL     1       5.030 -13.351  -1.363  1.00  0.00          Cl  
HETATM   39  C   UNL     1       5.942 -10.856  -1.880  1.00  0.00           C  
HETATM   40  C   UNL     1       5.792  -9.493  -2.056  1.00  0.00           C  
HETATM   41  N   UNL     1       4.366  -0.687   1.327  1.00  0.00           N  
HETATM   42  C   UNL     1       3.103  -0.604   1.791  1.00  0.00           C  
HETATM   43  O   UNL     1       2.879  -0.765   2.972  1.00  0.00           O  
HETATM   44  C   UNL     1       1.970  -0.313   0.842  1.00  0.00           C  
HETATM   45  C   UNL     1       0.652  -0.274   1.618  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.499   0.022   0.655  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.817   0.062   1.431  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.968   0.358   0.467  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.286   0.397   1.244  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.437   0.693   0.280  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.754   0.733   1.057  1.00  0.00           C  
HETATM   52  C   UNL     1      -7.905   1.028   0.093  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.223   1.068   0.870  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.374   1.364  -0.094  1.00  0.00           C  
HETATM   55  C   UNL     1     -11.692   1.403   0.683  1.00  0.00           C  
HETATM   56  C   UNL     1     -12.843   1.699  -0.281  1.00  0.00           C  
HETATM   57  C   UNL     1     -14.161   1.738   0.495  1.00  0.00           C  
HETATM   58  C   UNL     1     -15.312   2.034  -0.468  1.00  0.00           C  
HETATM   59  C   UNL     1     -16.630   2.074   0.308  1.00  0.00           C  
HETATM   60  C   UNL     1     -17.781   2.370  -0.655  1.00  0.00           C  
HETATM   61  C   UNL     1     -19.098   2.409   0.121  1.00  0.00           C  
HETATM   62  C   UNL     1     -20.250   2.705  -0.842  1.00  0.00           C  
HETATM   63  C   UNL     1     -21.567   2.745  -0.066  1.00  0.00           C  
HETATM   64  C   UNL     1     -22.718   3.040  -1.030  1.00  0.00           C  
HETATM   65  C   UNL     1     -24.036   3.080  -0.253  1.00  0.00           C  
HETATM   66  C   UNL     1     -25.187   3.376  -1.217  1.00  0.00           C  
HETATM   67  C   UNL     1     -26.505   3.415  -0.440  1.00  0.00           C  
HETATM   68  C   UNL     1     -27.656   3.711  -1.404  1.00  0.00           C  
HETATM   69  H   UNL     1       6.751  -4.769   2.112  1.00  0.00           H  
HETATM   70  H   UNL     1       1.862  -5.337  -0.105  1.00  0.00           H  
HETATM   71  H   UNL     1       2.704  -6.557   0.880  1.00  0.00           H  
HETATM   72  H   UNL     1       3.747  -3.739   0.350  1.00  0.00           H  
HETATM   73  H   UNL     1       3.731  -5.081  -1.719  1.00  0.00           H  
HETATM   74  H   UNL     1       5.681  -3.633  -1.296  1.00  0.00           H  
HETATM   75  H   UNL     1       6.880  -6.103   0.041  1.00  0.00           H  
HETATM   76  H   UNL     1      15.530  16.007  -1.052  1.00  0.00           H  
HETATM   77  H   UNL     1      16.565  16.073  -2.498  1.00  0.00           H  
HETATM   78  H   UNL     1      14.794  16.048  -2.672  1.00  0.00           H  
HETATM   79  H   UNL     1      15.769  13.823  -3.171  1.00  0.00           H  
HETATM   80  H   UNL     1      16.505  13.782  -1.551  1.00  0.00           H  
HETATM   81  H   UNL     1      14.253  13.925  -0.524  1.00  0.00           H  
HETATM   82  H   UNL     1      13.517  13.966  -2.144  1.00  0.00           H  
HETATM   83  H   UNL     1      14.492  11.742  -2.644  1.00  0.00           H  
HETATM   84  H   UNL     1      15.228  11.701  -1.023  1.00  0.00           H  
HETATM   85  H   UNL     1      12.976  11.844   0.004  1.00  0.00           H  
HETATM   86  H   UNL     1      12.240  11.885  -1.617  1.00  0.00           H  
HETATM   87  H   UNL     1      13.215   9.660  -2.116  1.00  0.00           H  
HETATM   88  H   UNL     1      13.951   9.619  -0.496  1.00  0.00           H  
HETATM   89  H   UNL     1      11.698   9.762   0.531  1.00  0.00           H  
HETATM   90  H   UNL     1      10.962   9.803  -1.089  1.00  0.00           H  
HETATM   91  H   UNL     1      11.938   7.579  -1.589  1.00  0.00           H  
HETATM   92  H   UNL     1      12.674   7.538   0.032  1.00  0.00           H  
HETATM   93  H   UNL     1      10.421   7.681   1.059  1.00  0.00           H  
HETATM   94  H   UNL     1       9.685   7.722  -0.562  1.00  0.00           H  
HETATM   95  H   UNL     1      10.660   5.497  -1.061  1.00  0.00           H  
HETATM   96  H   UNL     1      11.396   5.456   0.559  1.00  0.00           H  
HETATM   97  H   UNL     1       9.144   5.599   1.586  1.00  0.00           H  
HETATM   98  H   UNL     1       8.408   5.640  -0.034  1.00  0.00           H  
HETATM   99  H   UNL     1       9.383   3.416  -0.534  1.00  0.00           H  
HETATM  100  H   UNL     1      10.119   3.375   1.087  1.00  0.00           H  
HETATM  101  H   UNL     1       7.866   3.518   2.114  1.00  0.00           H  
HETATM  102  H   UNL     1       7.130   3.559   0.493  1.00  0.00           H  
HETATM  103  H   UNL     1       8.106   1.334  -0.006  1.00  0.00           H  
HETATM  104  H   UNL     1       8.842   1.293   1.614  1.00  0.00           H  
HETATM  105  H   UNL     1       6.545   1.508   2.610  1.00  0.00           H  
HETATM  106  H   UNL     1       5.669   1.175  -0.138  1.00  0.00           H  
HETATM  107  H   UNL     1       6.923  -0.817   0.668  1.00  0.00           H  
HETATM  108  H   UNL     1       7.838  -0.421   3.394  1.00  0.00           H  
HETATM  109  H   UNL     1       5.268  -0.497   3.211  1.00  0.00           H  
HETATM  110  H   UNL     1       6.364  -2.690   3.188  1.00  0.00           H  
HETATM  111  H   UNL     1       4.642  -2.888   2.780  1.00  0.00           H  
HETATM  112  H   UNL     1       8.634  -4.536   0.462  1.00  0.00           H  
HETATM  113  H   UNL     1       7.202  -4.903  -2.636  1.00  0.00           H  
HETATM  114  H   UNL     1       1.142  -5.293   2.172  1.00  0.00           H  
HETATM  115  H   UNL     1       3.386  -7.214  -2.493  1.00  0.00           H  
HETATM  116  H   UNL     1       5.130  -7.064  -2.815  1.00  0.00           H  
HETATM  117  H   UNL     1       2.472  -9.240  -1.516  1.00  0.00           H  
HETATM  118  H   UNL     1       2.736 -11.668  -1.210  1.00  0.00           H  
HETATM  119  H   UNL     1       6.917 -11.309  -1.982  1.00  0.00           H  
HETATM  120  H   UNL     1       6.650  -8.881  -2.293  1.00  0.00           H  
HETATM  121  H   UNL     1       4.545  -0.559   0.382  1.00  0.00           H  
HETATM  122  H   UNL     1       2.137   0.651   0.361  1.00  0.00           H  
HETATM  123  H   UNL     1       1.921  -1.094   0.083  1.00  0.00           H  
HETATM  124  H   UNL     1       0.484  -1.237   2.099  1.00  0.00           H  
HETATM  125  H   UNL     1       0.701   0.507   2.377  1.00  0.00           H  
HETATM  126  H   UNL     1      -0.332   0.986   0.174  1.00  0.00           H  
HETATM  127  H   UNL     1      -0.548  -0.759  -0.104  1.00  0.00           H  
HETATM  128  H   UNL     1      -1.984  -0.902   1.912  1.00  0.00           H  
HETATM  129  H   UNL     1      -1.768   0.843   2.190  1.00  0.00           H  
HETATM  130  H   UNL     1      -2.801   1.321  -0.014  1.00  0.00           H  
HETATM  131  H   UNL     1      -3.016  -0.423  -0.291  1.00  0.00           H  
HETATM  132  H   UNL     1      -4.453  -0.567   1.725  1.00  0.00           H  
HETATM  133  H   UNL     1      -4.237   1.178   2.003  1.00  0.00           H  
HETATM  134  H   UNL     1      -5.269   1.657  -0.201  1.00  0.00           H  
HETATM  135  H   UNL     1      -5.485  -0.088  -0.479  1.00  0.00           H  
HETATM  136  H   UNL     1      -6.922  -0.231   1.538  1.00  0.00           H  
HETATM  137  H   UNL     1      -6.706   1.513   1.816  1.00  0.00           H  
HETATM  138  H   UNL     1      -7.738   1.992  -0.388  1.00  0.00           H  
HETATM  139  H   UNL     1      -7.954   0.247  -0.666  1.00  0.00           H  
HETATM  140  H   UNL     1      -9.391   0.104   1.350  1.00  0.00           H  
HETATM  141  H   UNL     1      -9.175   1.849   1.628  1.00  0.00           H  
HETATM  142  H   UNL     1     -10.207   2.328  -0.575  1.00  0.00           H  
HETATM  143  H   UNL     1     -10.423   0.583  -0.853  1.00  0.00           H  
HETATM  144  H   UNL     1     -11.859   0.439   1.163  1.00  0.00           H  
HETATM  145  H   UNL     1     -11.644   2.184   1.441  1.00  0.00           H  
HETATM  146  H   UNL     1     -12.676   2.663  -0.762  1.00  0.00           H  
HETATM  147  H   UNL     1     -12.892   0.918  -1.040  1.00  0.00           H  
HETATM  148  H   UNL     1     -14.328   0.775   0.976  1.00  0.00           H  
HETATM  149  H   UNL     1     -14.112   2.520   1.254  1.00  0.00           H  
HETATM  150  H   UNL     1     -15.144   2.998  -0.949  1.00  0.00           H  
HETATM  151  H   UNL     1     -15.361   1.253  -1.227  1.00  0.00           H  
HETATM  152  H   UNL     1     -16.797   1.110   0.789  1.00  0.00           H  
HETATM  153  H   UNL     1     -16.581   2.855   1.067  1.00  0.00           H  
HETATM  154  H   UNL     1     -17.613   3.333  -1.136  1.00  0.00           H  
HETATM  155  H   UNL     1     -17.829   1.589  -1.414  1.00  0.00           H  
HETATM  156  H   UNL     1     -19.266   1.446   0.602  1.00  0.00           H  
HETATM  157  H   UNL     1     -19.050   3.190   0.880  1.00  0.00           H  
HETATM  158  H   UNL     1     -20.082   3.669  -1.323  1.00  0.00           H  
HETATM  159  H   UNL     1     -20.298   1.924  -1.601  1.00  0.00           H  
HETATM  160  H   UNL     1     -21.735   1.781   0.415  1.00  0.00           H  
HETATM  161  H   UNL     1     -21.519   3.526   0.693  1.00  0.00           H  
HETATM  162  H   UNL     1     -22.551   4.004  -1.510  1.00  0.00           H  
HETATM  163  H   UNL     1     -22.767   2.259  -1.788  1.00  0.00           H  
HETATM  164  H   UNL     1     -24.203   2.116   0.228  1.00  0.00           H  
HETATM  165  H   UNL     1     -23.987   3.861   0.506  1.00  0.00           H  
HETATM  166  H   UNL     1     -25.020   4.340  -1.697  1.00  0.00           H  
HETATM  167  H   UNL     1     -25.236   2.595  -1.975  1.00  0.00           H  
HETATM  168  H   UNL     1     -26.672   2.451   0.041  1.00  0.00           H  
HETATM  169  H   UNL     1     -26.456   4.196   0.319  1.00  0.00           H  
HETATM  170  H   UNL     1     -28.595   3.739  -0.850  1.00  0.00           H  
HETATM  171  H   UNL     1     -27.489   4.675  -1.885  1.00  0.00           H  
HETATM  172  H   UNL     1     -27.704   2.930  -2.162  1.00  0.00           H  
CONECT    1    6   27   30   69                                       
CONECT    2    3   31   70   71                                       
CONECT    3    4   30    2   72                                       
CONECT    4    5   32    3   73                                       
CONECT    5   29    6    4   74                                       
CONECT    6   28    5    1   75                                       
CONECT    7    8   76   77   78                                       
CONECT    8    7    9   79   80                                       
CONECT    9   10    8   81   82                                       
CONECT   10    9   11   83   84                                       
CONECT   11   10   12   85   86                                       
CONECT   12   11   13   87   88                                       
CONECT   13   12   14   89   90                                       
CONECT   14   13   15   91   92                                       
CONECT   15   14   16   93   94                                       
CONECT   16   15   17   95   96                                       
CONECT   17   16   18   97   98                                       
CONECT   18   17   19   99  100                                       
CONECT   19   18   20  101  102                                       
CONECT   20   19   21  103  104                                       
CONECT   21   22   20   23  105                                       
CONECT   22   21  106                                                 
CONECT   23   21   24   25  107                                       
CONECT   24   23  108                                                 
CONECT   25   23   41   26  109                                       
CONECT   26   25   27  110  111                                       
CONECT   27   26    1                                                 
CONECT   28    6  112                                                 
CONECT   29    5  113                                                 
CONECT   30    1    3                                                 
CONECT   31    2  114                                                 
CONECT   32    4   33                                                 
CONECT   33   32   34  115  116                                       
CONECT   34   40   40   35   33                                       
CONECT   35   36   36   34  117                                       
CONECT   36   37   35   35  118                                       
CONECT   37   38   39   39   36                                       
CONECT   38   37                                                      
CONECT   39   37   37   40  119                                       
CONECT   40   39   34   34  120                                       
CONECT   41   25   42  121                                            
CONECT   42   41   44   43   43                                       
CONECT   43   42   42                                                 
CONECT   44   45   42  122  123                                       
CONECT   45   46   44  124  125                                       
CONECT   46   47   45  126  127                                       
CONECT   47   48   46  128  129                                       
CONECT   48   49   47  130  131                                       
CONECT   49   50   48  132  133                                       
CONECT   50   51   49  134  135                                       
CONECT   51   50   52  136  137                                       
CONECT   52   51   53  138  139                                       
CONECT   53   52   54  140  141                                       
CONECT   54   53   55  142  143                                       
CONECT   55   54   56  144  145                                       
CONECT   56   55   57  146  147                                       
CONECT   57   56   58  148  149                                       
CONECT   58   57   59  150  151                                       
CONECT   59   58   60  152  153                                       
CONECT   60   59   61  154  155                                       
CONECT   61   62   60  156  157                                       
CONECT   62   63   61  158  159                                       
CONECT   63   64   62  160  161                                       
CONECT   64   65   63  162  163                                       
CONECT   65   66   64  164  165                                       
CONECT   66   67   65  166  167                                       
CONECT   67   68   66  168  169                                       
CONECT   68   67  170  171  172                                       
CONECT   69    1                                                      
CONECT   70    2                                                      
CONECT   71    2                                                      
CONECT   72    3                                                      
CONECT   73    4                                                      
CONECT   74    5                                                      
CONECT   75    6                                                      
CONECT   76    7                                                      
CONECT   77    7                                                      
CONECT   78    7                                                      
CONECT   79    8                                                      
CONECT   80    8                                                      
CONECT   81    9                                                      
CONECT   82    9                                                      
CONECT   83   10                                                      
CONECT   84   10                                                      
CONECT   85   11                                                      
CONECT   86   11                                                      
CONECT   87   12                                                      
CONECT   88   12                                                      
CONECT   89   13                                                      
CONECT   90   13                                                      
CONECT   91   14                                                      
CONECT   92   14                                                      
CONECT   93   15                                                      
CONECT   94   15                                                      
CONECT   95   16                                                      
CONECT   96   16                                                      
CONECT   97   17                                                      
CONECT   98   17                                                      
CONECT   99   18                                                      
CONECT  100   18                                                      
CONECT  101   19                                                      
CONECT  102   19                                                      
CONECT  103   20                                                      
CONECT  104   20                                                      
CONECT  105   21                                                      
CONECT  106   22                                                      
CONECT  107   23                                                      
CONECT  108   24                                                      
CONECT  109   25                                                      
CONECT  110   26                                                      
CONECT  111   26                                                      
CONECT  112   28                                                      
CONECT  113   29                                                      
CONECT  114   31                                                      
CONECT  115   33                                                      
CONECT  116   33                                                      
CONECT  117   35                                                      
CONECT  118   36                                                      
CONECT  119   39                                                      
CONECT  120   40                                                      
CONECT  121   41                                                      
CONECT  122   44                                                      
CONECT  123   44                                                      
CONECT  124   45                                                      
CONECT  125   45                                                      
CONECT  126   46                                                      
CONECT  127   46                                                      
CONECT  128   47                                                      
CONECT  129   47                                                      
CONECT  130   48                                                      
CONECT  131   48                                                      
CONECT  132   49                                                      
CONECT  133   49                                                      
CONECT  134   50                                                      
CONECT  135   50                                                      
CONECT  136   51                                                      
CONECT  137   51                                                      
CONECT  138   52                                                      
CONECT  139   52                                                      
CONECT  140   53                                                      
CONECT  141   53                                                      
CONECT  142   54                                                      
CONECT  143   54                                                      
CONECT  144   55                                                      
CONECT  145   55                                                      
CONECT  146   56                                                      
CONECT  147   56                                                      
CONECT  148   57                                                      
CONECT  149   57                                                      
CONECT  150   58                                                      
CONECT  151   58                                                      
CONECT  152   59                                                      
CONECT  153   59                                                      
CONECT  154   60                                                      
CONECT  155   60                                                      
CONECT  156   61                                                      
CONECT  157   61                                                      
CONECT  158   62                                                      
CONECT  159   62                                                      
CONECT  160   63                                                      
CONECT  161   63                                                      
CONECT  162   64                                                      
CONECT  163   64                                                      
CONECT  164   65                                                      
CONECT  165   65                                                      
CONECT  166   66                                                      
CONECT  167   66                                                      
CONECT  168   67                                                      
CONECT  169   67                                                      
CONECT  170   68                                                      
CONECT  171   68                                                      
CONECT  172   68                                                      
MASTER        0    0    0    0    0    0    0    0  172    0  172    0
END
