COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -19.530  -1.387  -0.421  1.00  0.00           C  
HETATM    2  O   UNL     1     -20.778  -1.778  -0.784  1.00  0.00           O  
HETATM    3  C   UNL     1     -18.640  -0.934  -1.385  1.00  0.00           C  
HETATM    4 CL   UNL     1     -19.122  -0.875  -3.052  1.00  0.00          Cl  
HETATM    5  C   UNL     1     -17.368  -0.528  -1.018  1.00  0.00           C  
HETATM    6  O   UNL     1     -16.497  -0.084  -1.959  1.00  0.00           O  
HETATM    7  C   UNL     1     -16.983  -0.577   0.331  1.00  0.00           C  
HETATM    8  C   UNL     1     -17.888  -1.036   1.294  1.00  0.00           C  
HETATM    9  C   UNL     1     -19.149  -1.436   0.917  1.00  0.00           C  
HETATM   10 CL   UNL     1     -20.271  -2.004   2.115  1.00  0.00          Cl  
HETATM   11  C   UNL     1     -16.507   1.317  -2.243  1.00  0.00           C  
HETATM   12  C   UNL     1     -17.481  -1.091   2.744  1.00  0.00           C  
HETATM   13  C   UNL     1     -15.633  -0.148   0.730  1.00  0.00           C  
HETATM   14  O   UNL     1     -15.428   1.012   1.031  1.00  0.00           O  
HETATM   15  C   UNL     1     -10.446  -0.669   0.927  1.00  0.00           C  
HETATM   16  C   UNL     1     -11.135  -1.162   2.202  1.00  0.00           C  
HETATM   17  C   UNL     1     -12.536  -1.671   1.851  1.00  0.00           C  
HETATM   18  O   UNL     1     -13.214  -2.067   3.046  1.00  0.00           O  
HETATM   19  C   UNL     1     -13.319  -0.548   1.165  1.00  0.00           C  
HETATM   20  O   UNL     1     -14.624  -1.041   0.762  1.00  0.00           O  
HETATM   21  C   UNL     1     -12.546  -0.079  -0.071  1.00  0.00           C  
HETATM   22  O   UNL     1     -11.241   0.352   0.321  1.00  0.00           O  
HETATM   23  C   UNL     1     -13.291   1.084  -0.728  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.737   0.681  -0.989  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.793   1.785  -0.935  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.727   1.531   0.253  1.00  0.00           C  
HETATM   27  O   UNL     1      -8.767   2.510   0.261  1.00  0.00           O  
HETATM   28  C   UNL     1      -8.337   0.133   0.118  1.00  0.00           C  
HETATM   29  O   UNL     1      -9.159  -0.141   1.254  1.00  0.00           O  
HETATM   30  C   UNL     1      -7.212  -0.903   0.039  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.362  -0.598  -1.069  1.00  0.00           O  
HETATM   32  C   UNL     1      -7.814  -2.297  -0.149  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.293   1.762  -0.260  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.604   1.699   0.531  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.580   0.868  -0.276  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.915   0.744   0.196  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.792   1.616  -1.625  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.897   0.880  -2.151  1.00  0.00           O  
HETATM   39  C   UNL     1      -2.477   1.533  -2.376  1.00  0.00           C  
HETATM   40  O   UNL     1      -1.500   2.234  -1.587  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.990  -0.519  -0.538  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.616   2.198  -3.747  1.00  0.00           C  
HETATM   43  C   UNL     1       3.217   1.650  -0.005  1.00  0.00           C  
HETATM   44  C   UNL     1       1.789   1.581   0.544  1.00  0.00           C  
HETATM   45  O   UNL     1       1.242   0.285   0.290  1.00  0.00           O  
HETATM   46  C   UNL     1       0.932   2.645  -0.148  1.00  0.00           C  
HETATM   47  O   UNL     1      -0.384   2.637   0.410  1.00  0.00           O  
HETATM   48  C   UNL     1       1.572   4.020   0.067  1.00  0.00           C  
HETATM   49  O   UNL     1       1.583   4.327   1.463  1.00  0.00           O  
HETATM   50  C   UNL     1       3.007   3.995  -0.463  1.00  0.00           C  
HETATM   51  O   UNL     1       3.741   2.964   0.200  1.00  0.00           O  
HETATM   52  C   UNL     1       0.489   5.143   1.887  1.00  0.00           C  
HETATM   53  C   UNL     1       3.673   5.346  -0.197  1.00  0.00           C  
HETATM   54  C   UNL     1       8.149  -0.023   0.601  1.00  0.00           C  
HETATM   55  C   UNL     1       7.708   1.429   0.394  1.00  0.00           C  
HETATM   56  O   UNL     1       7.766   1.751  -0.997  1.00  0.00           O  
HETATM   57  C   UNL     1       6.271   1.595   0.898  1.00  0.00           C  
HETATM   58  O   UNL     1       5.826   2.928   0.641  1.00  0.00           O  
HETATM   59  C   UNL     1       5.366   0.602   0.163  1.00  0.00           C  
HETATM   60  O   UNL     1       4.036   0.698   0.677  1.00  0.00           O  
HETATM   61  C   UNL     1       5.897  -0.817   0.379  1.00  0.00           C  
HETATM   62  O   UNL     1       7.247  -0.895  -0.083  1.00  0.00           O  
HETATM   63  C   UNL     1       9.026   2.278  -1.419  1.00  0.00           C  
HETATM   64  C   UNL     1       5.032  -1.810  -0.401  1.00  0.00           C  
HETATM   65  O   UNL     1       5.455  -3.143  -0.108  1.00  0.00           O  
HETATM   66  C   UNL     1       4.708  -4.153  -0.789  1.00  0.00           C  
HETATM   67  C   UNL     1      10.020  -1.495   0.325  1.00  0.00           C  
HETATM   68  O   UNL     1       9.468  -0.199   0.081  1.00  0.00           O  
HETATM   69  C   UNL     1      11.381  -1.602  -0.386  1.00  0.00           C  
HETATM   70  O   UNL     1      11.901  -2.952  -0.260  1.00  0.00           O  
HETATM   71  C   UNL     1      12.315  -0.623   0.298  1.00  0.00           C  
HETATM   72  O   UNL     1      13.675  -0.594  -0.112  1.00  0.00           O  
HETATM   73  C   UNL     1      12.439  -1.086   1.779  1.00  0.00           C  
HETATM   74  O   UNL     1      13.523  -0.263   2.212  1.00  0.00           O  
HETATM   75  C   UNL     1      11.085  -0.848   2.419  1.00  0.00           C  
HETATM   76  O   UNL     1      10.143  -1.689   1.730  1.00  0.00           O  
HETATM   77  C   UNL     1      14.426  -0.292   1.082  1.00  0.00           C  
HETATM   78  C   UNL     1      15.136   1.036   0.942  1.00  0.00           C  
HETATM   79  O   UNL     1      14.355   2.174   0.581  1.00  0.00           O  
HETATM   80  C   UNL     1      16.052   0.921  -0.312  1.00  0.00           C  
HETATM   81  O   UNL     1      16.434   2.273  -0.514  1.00  0.00           O  
HETATM   82  C   UNL     1      17.131  -0.086   0.030  1.00  0.00           C  
HETATM   83  O   UNL     1      17.837   0.336   1.199  1.00  0.00           O  
HETATM   84  C   UNL     1      16.429  -1.429   0.298  1.00  0.00           C  
HETATM   85  O   UNL     1      15.417  -1.305   1.293  1.00  0.00           O  
HETATM   86  C   UNL     1      15.332   3.067  -0.015  1.00  0.00           C  
HETATM   87  C   UNL     1      11.565  -3.826  -1.222  1.00  0.00           C  
HETATM   88  O   UNL     1      10.860  -3.474  -2.139  1.00  0.00           O  
HETATM   89  C   UNL     1      12.066  -5.246  -1.159  1.00  0.00           C  
HETATM   90  C   UNL     1      11.571  -5.905   0.129  1.00  0.00           C  
HETATM   91  C   UNL     1      11.542  -6.026  -2.366  1.00  0.00           C  
HETATM   92  C   UNL     1      18.088  -0.226  -1.125  1.00  0.00           C  
HETATM   93  O   UNL     1      17.723   0.031  -2.247  1.00  0.00           O  
HETATM   94  C   UNL     1      19.502  -0.688  -0.881  1.00  0.00           C  
HETATM   95  C   UNL     1      17.467  -2.451   0.766  1.00  0.00           C  
HETATM   96  H   UNL     1     -21.431  -1.065  -0.776  1.00  0.00           H  
HETATM   97  H   UNL     1     -15.765   1.537  -3.011  1.00  0.00           H  
HETATM   98  H   UNL     1     -17.495   1.608  -2.599  1.00  0.00           H  
HETATM   99  H   UNL     1     -16.268   1.873  -1.337  1.00  0.00           H  
HETATM  100  H   UNL     1     -17.727  -0.146   3.227  1.00  0.00           H  
HETATM  101  H   UNL     1     -18.014  -1.902   3.240  1.00  0.00           H  
HETATM  102  H   UNL     1     -16.407  -1.266   2.814  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.331  -1.501   0.231  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.552  -1.972   2.641  1.00  0.00           H  
HETATM  105  H   UNL     1     -11.212  -0.341   2.914  1.00  0.00           H  
HETATM  106  H   UNL     1     -12.457  -2.524   1.178  1.00  0.00           H  
HETATM  107  H   UNL     1     -12.769  -2.773   3.535  1.00  0.00           H  
HETATM  108  H   UNL     1     -13.442   0.286   1.856  1.00  0.00           H  
HETATM  109  H   UNL     1     -12.459  -0.902  -0.779  1.00  0.00           H  
HETATM  110  H   UNL     1     -13.377   1.908  -0.019  1.00  0.00           H  
HETATM  111  H   UNL     1     -12.740   1.418  -1.607  1.00  0.00           H  
HETATM  112  H   UNL     1     -14.287   0.756  -1.026  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.303   2.751  -0.814  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.370   1.782  -1.860  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.160   1.593   1.182  1.00  0.00           H  
HETATM  116  H   UNL     1      -8.450   3.421   0.337  1.00  0.00           H  
HETATM  117  H   UNL     1      -8.940   0.085  -0.789  1.00  0.00           H  
HETATM  118  H   UNL     1      -6.631  -0.879   0.961  1.00  0.00           H  
HETATM  119  H   UNL     1      -8.462  -2.298  -1.026  1.00  0.00           H  
HETATM  120  H   UNL     1      -7.013  -3.023  -0.287  1.00  0.00           H  
HETATM  121  H   UNL     1      -8.397  -2.563   0.733  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.860   0.762  -0.301  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.431   1.233   1.501  1.00  0.00           H  
HETATM  124  H   UNL     1      -3.004   2.704   0.668  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.063   2.656  -1.448  1.00  0.00           H  
HETATM  126  H   UNL     1      -2.182   0.490  -2.496  1.00  0.00           H  
HETATM  127  H   UNL     1      -2.032  -0.417  -1.046  1.00  0.00           H  
HETATM  128  H   UNL     1      -2.845  -1.037   0.411  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.674  -1.093  -1.163  1.00  0.00           H  
HETATM  130  H   UNL     1      -2.889   3.245  -3.617  1.00  0.00           H  
HETATM  131  H   UNL     1      -1.667   2.134  -4.280  1.00  0.00           H  
HETATM  132  H   UNL     1      -3.389   1.688  -4.321  1.00  0.00           H  
HETATM  133  H   UNL     1       3.208   1.425  -1.071  1.00  0.00           H  
HETATM  134  H   UNL     1       1.802   1.766   1.618  1.00  0.00           H  
HETATM  135  H   UNL     1       1.739  -0.438   0.696  1.00  0.00           H  
HETATM  136  H   UNL     1       0.878   2.431  -1.216  1.00  0.00           H  
HETATM  137  H   UNL     1       0.998   4.776  -0.469  1.00  0.00           H  
HETATM  138  H   UNL     1       2.996   3.800  -1.536  1.00  0.00           H  
HETATM  139  H   UNL     1       0.620   5.409   2.936  1.00  0.00           H  
HETATM  140  H   UNL     1       0.456   6.050   1.284  1.00  0.00           H  
HETATM  141  H   UNL     1      -0.443   4.591   1.766  1.00  0.00           H  
HETATM  142  H   UNL     1       3.770   5.498   0.878  1.00  0.00           H  
HETATM  143  H   UNL     1       4.661   5.362  -0.657  1.00  0.00           H  
HETATM  144  H   UNL     1       3.062   6.142  -0.623  1.00  0.00           H  
HETATM  145  H   UNL     1       8.143  -0.256   1.666  1.00  0.00           H  
HETATM  146  H   UNL     1       8.370   2.093   0.950  1.00  0.00           H  
HETATM  147  H   UNL     1       6.236   1.398   1.969  1.00  0.00           H  
HETATM  148  H   UNL     1       6.360   3.611   1.071  1.00  0.00           H  
HETATM  149  H   UNL     1       5.363   0.832  -0.903  1.00  0.00           H  
HETATM  150  H   UNL     1       5.861  -1.061   1.441  1.00  0.00           H  
HETATM  151  H   UNL     1       9.240   3.193  -0.868  1.00  0.00           H  
HETATM  152  H   UNL     1       9.809   1.545  -1.226  1.00  0.00           H  
HETATM  153  H   UNL     1       8.989   2.497  -2.487  1.00  0.00           H  
HETATM  154  H   UNL     1       3.988  -1.688  -0.113  1.00  0.00           H  
HETATM  155  H   UNL     1       5.138  -1.622  -1.470  1.00  0.00           H  
HETATM  156  H   UNL     1       5.090  -5.136  -0.514  1.00  0.00           H  
HETATM  157  H   UNL     1       3.657  -4.079  -0.509  1.00  0.00           H  
HETATM  158  H   UNL     1       4.807  -4.014  -1.866  1.00  0.00           H  
HETATM  159  H   UNL     1       9.347  -2.250  -0.080  1.00  0.00           H  
HETATM  160  H   UNL     1      11.273  -1.342  -1.439  1.00  0.00           H  
HETATM  161  H   UNL     1      11.894   0.381   0.253  1.00  0.00           H  
HETATM  162  H   UNL     1      12.717  -2.139   1.829  1.00  0.00           H  
HETATM  163  H   UNL     1      11.120  -1.116   3.475  1.00  0.00           H  
HETATM  164  H   UNL     1      10.801   0.199   2.310  1.00  0.00           H  
HETATM  165  H   UNL     1      15.733   1.240   1.831  1.00  0.00           H  
HETATM  166  H   UNL     1      15.471   0.565  -1.163  1.00  0.00           H  
HETATM  167  H   UNL     1      18.543  -0.267   1.471  1.00  0.00           H  
HETATM  168  H   UNL     1      15.974  -1.783  -0.627  1.00  0.00           H  
HETATM  169  H   UNL     1      14.874   3.617  -0.836  1.00  0.00           H  
HETATM  170  H   UNL     1      15.695   3.767   0.737  1.00  0.00           H  
HETATM  171  H   UNL     1      13.156  -5.246  -1.172  1.00  0.00           H  
HETATM  172  H   UNL     1      11.934  -6.932   0.174  1.00  0.00           H  
HETATM  173  H   UNL     1      11.944  -5.349   0.989  1.00  0.00           H  
HETATM  174  H   UNL     1      10.481  -5.904   0.141  1.00  0.00           H  
HETATM  175  H   UNL     1      11.896  -5.556  -3.284  1.00  0.00           H  
HETATM  176  H   UNL     1      11.905  -7.052  -2.321  1.00  0.00           H  
HETATM  177  H   UNL     1      10.452  -6.025  -2.354  1.00  0.00           H  
HETATM  178  H   UNL     1      19.547  -1.775  -0.949  1.00  0.00           H  
HETATM  179  H   UNL     1      20.162  -0.249  -1.630  1.00  0.00           H  
HETATM  180  H   UNL     1      19.821  -0.373   0.113  1.00  0.00           H  
HETATM  181  H   UNL     1      17.940  -2.095   1.682  1.00  0.00           H  
HETATM  182  H   UNL     1      16.976  -3.405   0.958  1.00  0.00           H  
HETATM  183  H   UNL     1      18.224  -2.580  -0.007  1.00  0.00           H  
CONECT    1    2    9    9    3                                       
CONECT    2    1   96                                                 
CONECT    3    1    4    5    5                                       
CONECT    4    3                                                      
CONECT    5    3    3    7    6                                       
CONECT    6    5   11                                                 
CONECT    7    8    8    5   13                                       
CONECT    8    9   12    7    7                                       
CONECT    9   10    1    1    8                                       
CONECT   10    9                                                      
CONECT   11    6   97   98   99                                       
CONECT   12    8  100  101  102                                       
CONECT   13    7   14   14   20                                       
CONECT   14   13   13                                                 
CONECT   15   16   22   29  103                                       
CONECT   16   17   15  104  105                                       
CONECT   17   18   19   16  106                                       
CONECT   18   17  107                                                 
CONECT   19   20   17   21  108                                       
CONECT   20   13   19                                                 
CONECT   21   19   23   22  109                                       
CONECT   22   21   15                                                 
CONECT   23   21  110  111  112                                       
CONECT   24   25   31   36   38                                       
CONECT   25   26   24  113  114                                       
CONECT   26   27   28   25  115                                       
CONECT   27   26  116                                                 
CONECT   28   29   26   30  117                                       
CONECT   29   15   28                                                 
CONECT   30   28   32   31  118                                       
CONECT   31   30   24                                                 
CONECT   32   30  119  120  121                                       
CONECT   33   34   40   47  122                                       
CONECT   34   35   33  123  124                                       
CONECT   35   36   37   41   34                                       
CONECT   36   24   35                                                 
CONECT   37   38   35   39  125                                       
CONECT   38   24   37                                                 
CONECT   39   37   42   40  126                                       
CONECT   40   39   33                                                 
CONECT   41   35  127  128  129                                       
CONECT   42   39  130  131  132                                       
CONECT   43   44   51   60  133                                       
CONECT   44   46   45   43  134                                       
CONECT   45   44  135                                                 
CONECT   46   47   48   44  136                                       
CONECT   47   33   46                                                 
CONECT   48   49   46   50  137                                       
CONECT   49   52   48                                                 
CONECT   50   48   53   51  138                                       
CONECT   51   50   43                                                 
CONECT   52   49  139  140  141                                       
CONECT   53   50  142  143  144                                       
CONECT   54   55   62   68  145                                       
CONECT   55   57   56   54  146                                       
CONECT   56   63   55                                                 
CONECT   57   59   55   58  147                                       
CONECT   58   57  148                                                 
CONECT   59   60   57   61  149                                       
CONECT   60   43   59                                                 
CONECT   61   59   64   62  150                                       
CONECT   62   61   54                                                 
CONECT   63   56  151  152  153                                       
CONECT   64   61   65  154  155                                       
CONECT   65   64   66                                                 
CONECT   66   65  156  157  158                                       
CONECT   67   76   68   69  159                                       
CONECT   68   54   67                                                 
CONECT   69   67   70   71  160                                       
CONECT   70   69   87                                                 
CONECT   71   69   73   72  161                                       
CONECT   72   71   77                                                 
CONECT   73   75   71   74  162                                       
CONECT   74   73   77                                                 
CONECT   75   76   73  163  164                                       
CONECT   76   67   75                                                 
CONECT   77   74   72   85   78                                       
CONECT   78   77   79   80  165                                       
CONECT   79   78   86                                                 
CONECT   80   78   82   81  166                                       
CONECT   81   86   80                                                 
CONECT   82   84   80   83   92                                       
CONECT   83   82  167                                                 
CONECT   84   85   95   82  168                                       
CONECT   85   77   84                                                 
CONECT   86   79   81  169  170                                       
CONECT   87   70   89   88   88                                       
CONECT   88   87   87                                                 
CONECT   89   90   87   91  171                                       
CONECT   90   89  172  173  174                                       
CONECT   91   89  175  176  177                                       
CONECT   92   82   93   93   94                                       
CONECT   93   92   92                                                 
CONECT   94   92  178  179  180                                       
CONECT   95   84  181  182  183                                       
CONECT   96    2                                                      
CONECT   97   11                                                      
CONECT   98   11                                                      
CONECT   99   11                                                      
CONECT  100   12                                                      
CONECT  101   12                                                      
CONECT  102   12                                                      
CONECT  103   15                                                      
CONECT  104   16                                                      
CONECT  105   16                                                      
CONECT  106   17                                                      
CONECT  107   18                                                      
CONECT  108   19                                                      
CONECT  109   21                                                      
CONECT  110   23                                                      
CONECT  111   23                                                      
CONECT  112   23                                                      
CONECT  113   25                                                      
CONECT  114   25                                                      
CONECT  115   26                                                      
CONECT  116   27                                                      
CONECT  117   28                                                      
CONECT  118   30                                                      
CONECT  119   32                                                      
CONECT  120   32                                                      
CONECT  121   32                                                      
CONECT  122   33                                                      
CONECT  123   34                                                      
CONECT  124   34                                                      
CONECT  125   37                                                      
CONECT  126   39                                                      
CONECT  127   41                                                      
CONECT  128   41                                                      
CONECT  129   41                                                      
CONECT  130   42                                                      
CONECT  131   42                                                      
CONECT  132   42                                                      
CONECT  133   43                                                      
CONECT  134   44                                                      
CONECT  135   45                                                      
CONECT  136   46                                                      
CONECT  137   48                                                      
CONECT  138   50                                                      
CONECT  139   52                                                      
CONECT  140   52                                                      
CONECT  141   52                                                      
CONECT  142   53                                                      
CONECT  143   53                                                      
CONECT  144   53                                                      
CONECT  145   54                                                      
CONECT  146   55                                                      
CONECT  147   57                                                      
CONECT  148   58                                                      
CONECT  149   59                                                      
CONECT  150   61                                                      
CONECT  151   63                                                      
CONECT  152   63                                                      
CONECT  153   63                                                      
CONECT  154   64                                                      
CONECT  155   64                                                      
CONECT  156   66                                                      
CONECT  157   66                                                      
CONECT  158   66                                                      
CONECT  159   67                                                      
CONECT  160   69                                                      
CONECT  161   71                                                      
CONECT  162   73                                                      
CONECT  163   75                                                      
CONECT  164   75                                                      
CONECT  165   78                                                      
CONECT  166   80                                                      
CONECT  167   83                                                      
CONECT  168   84                                                      
CONECT  169   86                                                      
CONECT  170   86                                                      
CONECT  171   89                                                      
CONECT  172   90                                                      
CONECT  173   90                                                      
CONECT  174   90                                                      
CONECT  175   91                                                      
CONECT  176   91                                                      
CONECT  177   91                                                      
CONECT  178   94                                                      
CONECT  179   94                                                      
CONECT  180   94                                                      
CONECT  181   95                                                      
CONECT  182   95                                                      
CONECT  183   95                                                      
MASTER        0    0    0    0    0    0    0    0  183    0  183    0
END
