COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -22.194  -4.031  -1.906  1.00  0.00           C  
HETATM    2  C   UNL     1     -22.847  -4.078  -3.087  1.00  0.00           C  
HETATM    3  C   UNL     1     -23.837  -5.846  -2.167  1.00  0.00           C  
HETATM    4  C   UNL     1     -21.172  -3.037  -1.515  1.00  0.00           C  
HETATM    5  C   UNL     1     -21.241  -2.414  -0.268  1.00  0.00           C  
HETATM    6  C   UNL     1     -19.182  -1.790  -2.019  1.00  0.00           C  
HETATM    7  C   UNL     1     -20.284  -1.487   0.091  1.00  0.00           C  
HETATM    8  C   UNL     1     -19.257  -1.175  -0.782  1.00  0.00           C  
HETATM    9  C   UNL     1     -18.215  -0.162  -0.383  1.00  0.00           C  
HETATM   10  C   UNL     1     -16.053  -0.131   0.741  1.00  0.00           C  
HETATM   11  C   UNL     1     -14.914  -0.830   1.436  1.00  0.00           C  
HETATM   12  C   UNL     1     -20.130  -2.722  -2.389  1.00  0.00           C  
HETATM   13  S   UNL     1     -22.782  -5.362  -0.912  1.00  0.00           S  
HETATM   14  N   UNL     1     -23.711  -5.064  -3.187  1.00  0.00           N  
HETATM   15  N   UNL     1     -17.107  -0.842   0.293  1.00  0.00           N  
HETATM   16  O   UNL     1     -16.023   1.071   0.585  1.00  0.00           O  
HETATM   17  N   UNL     1     -13.895   0.152   1.836  1.00  0.00           N  
HETATM   18  C   UNL     1     -13.767   0.129   3.305  1.00  0.00           C  
HETATM   19  C   UNL     1     -14.260  -1.279   3.724  1.00  0.00           C  
HETATM   20  C   UNL     1     -15.424  -1.515   2.721  1.00  0.00           C  
HETATM   21  C   UNL     1     -13.193   0.941   0.999  1.00  0.00           C  
HETATM   22  O   UNL     1     -13.231  -2.255   3.550  1.00  0.00           O  
HETATM   23  O   UNL     1     -13.445   0.942  -0.187  1.00  0.00           O  
HETATM   24  C   UNL     1     -12.096   1.823   1.537  1.00  0.00           C  
HETATM   25  C   UNL     1     -12.660   3.213   1.839  1.00  0.00           C  
HETATM   26  N   UNL     1     -11.027   1.935   0.541  1.00  0.00           N  
HETATM   27  C   UNL     1     -13.104   3.877   0.535  1.00  0.00           C  
HETATM   28  C   UNL     1     -13.860   3.083   2.779  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.580   4.068   2.506  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.769   2.219   0.932  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.670   2.335  -0.092  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.350   2.662   0.610  1.00  0.00           C  
HETATM   33  O   UNL     1      -9.521   2.382   2.108  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.234   2.779  -0.430  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.915   3.105   0.273  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.799   3.223  -0.767  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.479   3.549  -0.065  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.363   3.667  -1.105  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.044   3.993  -0.403  1.00  0.00           C  
HETATM   40  C   UNL     1       1.072   4.111  -1.443  1.00  0.00           C  
HETATM   41  C   UNL     1       2.372   4.432  -0.751  1.00  0.00           C  
HETATM   42  N   UNL     1       3.500   4.583  -1.472  1.00  0.00           N  
HETATM   43  O   UNL     1       2.402   4.555   0.455  1.00  0.00           O  
HETATM   44  C   UNL     1       4.763   4.896  -0.800  1.00  0.00           C  
HETATM   45  C   UNL     1       5.879   5.013  -1.840  1.00  0.00           C  
HETATM   46  N   UNL     1       7.146   5.327  -1.165  1.00  0.00           N  
HETATM   47  C   UNL     1       8.188   5.680  -2.140  1.00  0.00           C  
HETATM   48  C   UNL     1       9.466   6.076  -1.395  1.00  0.00           C  
HETATM   49  N   UNL     1       9.900   4.958  -0.546  1.00  0.00           N  
HETATM   50  C   UNL     1       8.858   4.605   0.429  1.00  0.00           C  
HETATM   51  C   UNL     1       7.581   4.209  -0.316  1.00  0.00           C  
HETATM   52  C   UNL     1      11.167   5.272   0.129  1.00  0.00           C  
HETATM   53  C   UNL     1      11.705   4.029   0.790  1.00  0.00           C  
HETATM   54  C   UNL     1      12.550   3.189   0.093  1.00  0.00           C  
HETATM   55  C   UNL     1      13.047   2.040   0.705  1.00  0.00           C  
HETATM   56  C   UNL     1      12.688   1.746   2.019  1.00  0.00           C  
HETATM   57  C   UNL     1      11.842   2.592   2.706  1.00  0.00           C  
HETATM   58  C   UNL     1      11.356   3.735   2.095  1.00  0.00           C  
HETATM   59  C   UNL     1      13.956   1.133  -0.039  1.00  0.00           C  
HETATM   60  C   UNL     1      14.451  -0.015   0.575  1.00  0.00           C  
HETATM   61  C   UNL     1      15.299  -0.859  -0.122  1.00  0.00           C  
HETATM   62  C   UNL     1      15.654  -0.558  -1.438  1.00  0.00           C  
HETATM   63  C   UNL     1      15.159   0.587  -2.046  1.00  0.00           C  
HETATM   64  C   UNL     1      14.309   1.426  -1.355  1.00  0.00           C  
HETATM   65  N   UNL     1      16.510  -1.409  -2.142  1.00  0.00           N  
HETATM   66  C   UNL     1      17.767  -0.729  -2.483  1.00  0.00           C  
HETATM   67  C   UNL     1      18.705  -1.716  -3.182  1.00  0.00           C  
HETATM   68  N   UNL     1      18.050  -2.240  -4.388  1.00  0.00           N  
HETATM   69  C   UNL     1      16.792  -2.920  -4.048  1.00  0.00           C  
HETATM   70  C   UNL     1      15.854  -1.933  -3.349  1.00  0.00           C  
HETATM   71  C   UNL     1      18.949  -3.135  -5.129  1.00  0.00           C  
HETATM   72  N   UNL     1      15.799  -2.014   0.493  1.00  0.00           N  
HETATM   73  C   UNL     1      15.088  -2.624   1.462  1.00  0.00           C  
HETATM   74  C   UNL     1      15.670  -3.767   2.197  1.00  0.00           C  
HETATM   75  C   UNL     1      16.169  -3.580   3.557  1.00  0.00           C  
HETATM   76  N   UNL     1      16.694  -4.540   4.266  1.00  0.00           N  
HETATM   77  C   UNL     1      16.824  -5.792   3.810  1.00  0.00           C  
HETATM   78  C   UNL     1      16.344  -6.119   2.413  1.00  0.00           C  
HETATM   79  C   UNL     1      15.733  -4.989   1.608  1.00  0.00           C  
HETATM   80  C   UNL     1      15.220  -5.212   0.208  1.00  0.00           C  
HETATM   81  O   UNL     1      13.969  -2.234   1.731  1.00  0.00           O  
HETATM   82  O   UNL     1      17.320  -6.652   4.508  1.00  0.00           O  
HETATM   83  C   UNL     1     -22.607  -3.085  -4.195  1.00  0.00           C  
HETATM   84  F   UNL     1      16.231  -4.917  -0.712  1.00  0.00           F  
HETATM   85  F   UNL     1      14.830  -6.548   0.062  1.00  0.00           F  
HETATM   86  F   UNL     1      14.121  -4.378  -0.024  1.00  0.00           F  
HETATM   87  H   UNL     1     -24.508  -6.691  -2.117  1.00  0.00           H  
HETATM   88  H   UNL     1     -22.043  -2.656   0.414  1.00  0.00           H  
HETATM   89  H   UNL     1     -18.376  -1.545  -2.695  1.00  0.00           H  
HETATM   90  H   UNL     1     -20.337  -1.004   1.056  1.00  0.00           H  
HETATM   91  H   UNL     1     -17.842   0.345  -1.273  1.00  0.00           H  
HETATM   92  H   UNL     1     -18.659   0.569   0.293  1.00  0.00           H  
HETATM   93  H   UNL     1     -14.472  -1.572   0.771  1.00  0.00           H  
HETATM   94  H   UNL     1     -20.069  -3.203  -3.353  1.00  0.00           H  
HETATM   95  H   UNL     1     -17.132  -1.804   0.418  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.726   0.269   3.598  1.00  0.00           H  
HETATM   97  H   UNL     1     -14.393   0.901   3.752  1.00  0.00           H  
HETATM   98  H   UNL     1     -14.624  -1.276   4.752  1.00  0.00           H  
HETATM   99  H   UNL     1     -16.339  -1.039   3.073  1.00  0.00           H  
HETATM  100  H   UNL     1     -15.581  -2.582   2.557  1.00  0.00           H  
HETATM  101  H   UNL     1     -12.442  -2.094   4.084  1.00  0.00           H  
HETATM  102  H   UNL     1     -11.695   1.387   2.452  1.00  0.00           H  
HETATM  103  H   UNL     1     -11.225   1.805  -0.399  1.00  0.00           H  
HETATM  104  H   UNL     1     -13.873   3.268   0.060  1.00  0.00           H  
HETATM  105  H   UNL     1     -13.506   4.867   0.750  1.00  0.00           H  
HETATM  106  H   UNL     1     -12.249   3.970  -0.135  1.00  0.00           H  
HETATM  107  H   UNL     1     -13.529   2.684   3.738  1.00  0.00           H  
HETATM  108  H   UNL     1     -14.311   4.063   2.930  1.00  0.00           H  
HETATM  109  H   UNL     1     -14.595   2.408   2.339  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.725   4.160   1.836  1.00  0.00           H  
HETATM  111  H   UNL     1     -11.982   5.058   2.721  1.00  0.00           H  
HETATM  112  H   UNL     1     -11.264   3.594   3.435  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.572   1.391  -0.628  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.912   3.130  -0.797  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.448   3.605   1.147  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.108   1.867   1.315  1.00  0.00           H  
HETATM  117  H   UNL     1      -6.136   1.835  -0.966  1.00  0.00           H  
HETATM  118  H   UNL     1      -6.477   3.574  -1.135  1.00  0.00           H  
HETATM  119  H   UNL     1      -5.012   4.049   0.809  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.672   2.310   0.978  1.00  0.00           H  
HETATM  121  H   UNL     1      -3.701   2.279  -1.304  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.041   4.018  -1.472  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.577   4.493   0.471  1.00  0.00           H  
HETATM  124  H   UNL     1      -2.237   2.754   0.640  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.266   2.723  -1.641  1.00  0.00           H  
HETATM  126  H   UNL     1      -1.606   4.462  -1.810  1.00  0.00           H  
HETATM  127  H   UNL     1      -0.142   4.937   0.134  1.00  0.00           H  
HETATM  128  H   UNL     1       0.199   3.198   0.303  1.00  0.00           H  
HETATM  129  H   UNL     1       1.170   3.167  -1.979  1.00  0.00           H  
HETATM  130  H   UNL     1       0.830   4.906  -2.148  1.00  0.00           H  
HETATM  131  H   UNL     1       3.476   4.485  -2.437  1.00  0.00           H  
HETATM  132  H   UNL     1       4.666   5.840  -0.264  1.00  0.00           H  
HETATM  133  H   UNL     1       5.006   4.101  -0.095  1.00  0.00           H  
HETATM  134  H   UNL     1       5.977   4.069  -2.376  1.00  0.00           H  
HETATM  135  H   UNL     1       5.637   5.808  -2.545  1.00  0.00           H  
HETATM  136  H   UNL     1       8.392   4.823  -2.781  1.00  0.00           H  
HETATM  137  H   UNL     1       7.848   6.517  -2.749  1.00  0.00           H  
HETATM  138  H   UNL     1      10.249   6.310  -2.116  1.00  0.00           H  
HETATM  139  H   UNL     1       9.269   6.950  -0.775  1.00  0.00           H  
HETATM  140  H   UNL     1       9.199   3.767   1.038  1.00  0.00           H  
HETATM  141  H   UNL     1       8.655   5.462   1.071  1.00  0.00           H  
HETATM  142  H   UNL     1       6.798   3.975   0.405  1.00  0.00           H  
HETATM  143  H   UNL     1       7.778   3.335  -0.937  1.00  0.00           H  
HETATM  144  H   UNL     1      11.888   5.635  -0.603  1.00  0.00           H  
HETATM  145  H   UNL     1      10.997   6.040   0.883  1.00  0.00           H  
HETATM  146  H   UNL     1      12.826   3.421  -0.925  1.00  0.00           H  
HETATM  147  H   UNL     1      13.069   0.856   2.498  1.00  0.00           H  
HETATM  148  H   UNL     1      11.562   2.365   3.724  1.00  0.00           H  
HETATM  149  H   UNL     1      10.695   4.395   2.637  1.00  0.00           H  
HETATM  150  H   UNL     1      14.175  -0.246   1.594  1.00  0.00           H  
HETATM  151  H   UNL     1      15.435   0.819  -3.064  1.00  0.00           H  
HETATM  152  H   UNL     1      13.925   2.317  -1.831  1.00  0.00           H  
HETATM  153  H   UNL     1      17.559   0.109  -3.148  1.00  0.00           H  
HETATM  154  H   UNL     1      18.239  -0.361  -1.572  1.00  0.00           H  
HETATM  155  H   UNL     1      19.627  -1.206  -3.461  1.00  0.00           H  
HETATM  156  H   UNL     1      18.935  -2.539  -2.506  1.00  0.00           H  
HETATM  157  H   UNL     1      16.320  -3.288  -4.959  1.00  0.00           H  
HETATM  158  H   UNL     1      17.001  -3.758  -3.382  1.00  0.00           H  
HETATM  159  H   UNL     1      14.932  -2.444  -3.070  1.00  0.00           H  
HETATM  160  H   UNL     1      15.624  -1.110  -4.025  1.00  0.00           H  
HETATM  161  H   UNL     1      19.232  -3.973  -4.493  1.00  0.00           H  
HETATM  162  H   UNL     1      18.439  -3.508  -6.017  1.00  0.00           H  
HETATM  163  H   UNL     1      19.843  -2.586  -5.427  1.00  0.00           H  
HETATM  164  H   UNL     1      16.658  -2.375   0.221  1.00  0.00           H  
HETATM  165  H   UNL     1      16.100  -2.596   3.998  1.00  0.00           H  
HETATM  166  H   UNL     1      17.191  -6.514   1.851  1.00  0.00           H  
HETATM  167  H   UNL     1      15.599  -6.911   2.491  1.00  0.00           H  
HETATM  168  H   UNL     1     -21.869  -3.487  -4.890  1.00  0.00           H  
HETATM  169  H   UNL     1     -23.541  -2.899  -4.725  1.00  0.00           H  
HETATM  170  H   UNL     1     -22.237  -2.151  -3.772  1.00  0.00           H  
CONECT    1    4   13    2    2                                       
CONECT    2    1    1   14   83                                       
CONECT    3   13   14   14   87                                       
CONECT    4    5    1   12   12                                       
CONECT    5    7    7    4   88                                       
CONECT    6    8    8   12   89                                       
CONECT    7    5    5    8   90                                       
CONECT    8    7    9    6    6                                       
CONECT    9   15    8   91   92                                       
CONECT   10   11   15   16   16                                       
CONECT   11   17   20   10   93                                       
CONECT   12    4    4    6   94                                       
CONECT   13    1    3                                                 
CONECT   14    3    3    2                                            
CONECT   15   10    9   95                                            
CONECT   16   10   10                                                 
CONECT   17   18   21   11                                            
CONECT   18   19   17   96   97                                       
CONECT   19   22   18   20   98                                       
CONECT   20   19   11   99  100                                       
CONECT   21   24   17   23   23                                       
CONECT   22   19  101                                                 
CONECT   23   21   21                                                 
CONECT   24   26   21   25  102                                       
CONECT   25   24   29   28   27                                       
CONECT   26   30   24  103                                            
CONECT   27   25  104  105  106                                       
CONECT   28   25  107  108  109                                       
CONECT   29   25  110  111  112                                       
CONECT   30   33   33   31   26                                       
CONECT   31   30   32  113  114                                       
CONECT   32   31   34  115  116                                       
CONECT   33   30   30                                                 
CONECT   34   32   35  117  118                                       
CONECT   35   36   34  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   40   43   43   42                                       
CONECT   42   41   44  131                                            
CONECT   43   41   41                                                 
CONECT   44   42   45  132  133                                       
CONECT   45   44   46  134  135                                       
CONECT   46   45   51   47                                            
CONECT   47   46   48  136  137                                       
CONECT   48   47   49  138  139                                       
CONECT   49   50   48   52                                            
CONECT   50   51   49  140  141                                       
CONECT   51   46   50  142  143                                       
CONECT   52   53   49  144  145                                       
CONECT   53   58   58   54   52                                       
CONECT   54   55   55   53  146                                       
CONECT   55   56   59   54   54                                       
CONECT   56   57   57   55  147                                       
CONECT   57   56   56   58  148                                       
CONECT   58   57   53   53  149                                       
CONECT   59   64   55   60   60                                       
CONECT   60   59   59   61  150                                       
CONECT   61   62   62   60   72                                       
CONECT   62   63   65   61   61                                       
CONECT   63   64   64   62  151                                       
CONECT   64   63   63   59  152                                       
CONECT   65   66   62   70                                            
CONECT   66   65   67  153  154                                       
CONECT   67   66   68  155  156                                       
CONECT   68   67   69   71                                            
CONECT   69   70   68  157  158                                       
CONECT   70   65   69  159  160                                       
CONECT   71   68  161  162  163                                       
CONECT   72   61   73  164                                            
CONECT   73   81   81   72   74                                       
CONECT   74   73   75   79   79                                       
CONECT   75   74   76   76  165                                       
CONECT   76   75   75   77                                            
CONECT   77   76   78   82   82                                       
CONECT   78   79   77  166  167                                       
CONECT   79   74   74   80   78                                       
CONECT   80   86   85   79   84                                       
CONECT   81   73   73                                                 
CONECT   82   77   77                                                 
CONECT   83    2  168  169  170                                       
CONECT   84   80                                                      
CONECT   85   80                                                      
CONECT   86   80                                                      
CONECT   87    3                                                      
CONECT   88    5                                                      
CONECT   89    6                                                      
CONECT   90    7                                                      
CONECT   91    9                                                      
CONECT   92    9                                                      
CONECT   93   11                                                      
CONECT   94   12                                                      
CONECT   95   15                                                      
CONECT   96   18                                                      
CONECT   97   18                                                      
CONECT   98   19                                                      
CONECT   99   20                                                      
CONECT  100   20                                                      
CONECT  101   22                                                      
CONECT  102   24                                                      
CONECT  103   26                                                      
CONECT  104   27                                                      
CONECT  105   27                                                      
CONECT  106   27                                                      
CONECT  107   28                                                      
CONECT  108   28                                                      
CONECT  109   28                                                      
CONECT  110   29                                                      
CONECT  111   29                                                      
CONECT  112   29                                                      
CONECT  113   31                                                      
CONECT  114   31                                                      
CONECT  115   32                                                      
CONECT  116   32                                                      
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   42                                                      
CONECT  132   44                                                      
CONECT  133   44                                                      
CONECT  134   45                                                      
CONECT  135   45                                                      
CONECT  136   47                                                      
CONECT  137   47                                                      
CONECT  138   48                                                      
CONECT  139   48                                                      
CONECT  140   50                                                      
CONECT  141   50                                                      
CONECT  142   51                                                      
CONECT  143   51                                                      
CONECT  144   52                                                      
CONECT  145   52                                                      
CONECT  146   54                                                      
CONECT  147   56                                                      
CONECT  148   57                                                      
CONECT  149   58                                                      
CONECT  150   60                                                      
CONECT  151   63                                                      
CONECT  152   64                                                      
CONECT  153   66                                                      
CONECT  154   66                                                      
CONECT  155   67                                                      
CONECT  156   67                                                      
CONECT  157   69                                                      
CONECT  158   69                                                      
CONECT  159   70                                                      
CONECT  160   70                                                      
CONECT  161   71                                                      
CONECT  162   71                                                      
CONECT  163   71                                                      
CONECT  164   72                                                      
CONECT  165   75                                                      
CONECT  166   78                                                      
CONECT  167   78                                                      
CONECT  168   83                                                      
CONECT  169   83                                                      
CONECT  170   83                                                      
MASTER        0    0    0    0    0    0    0    0  170    0  170    0
END
