COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.234   2.223   0.018  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.846   2.663   1.432  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.375   3.090   1.444  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.063   3.397  -0.949  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.800   7.504   0.235  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.564   8.561  -0.697  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.913   9.743   0.024  1.00  0.00           C  
HETATM    8  O   UNL     1       0.380   9.359   0.496  1.00  0.00           O  
HETATM    9  C   UNL     1       1.078  10.396   1.189  1.00  0.00           C  
HETATM   10  C   UNL     1       4.548   9.083   0.820  1.00  0.00           C  
HETATM   11  C   UNL     1       5.304   8.805  -0.454  1.00  0.00           C  
HETATM   12  C   UNL     1       7.313   8.051  -1.632  1.00  0.00           C  
HETATM   13  C   UNL     1       7.825   6.608  -1.585  1.00  0.00           C  
HETATM   14  C   UNL     1       8.629   6.397  -0.300  1.00  0.00           C  
HETATM   15  C   UNL     1       7.725   6.629   0.913  1.00  0.00           C  
HETATM   16  C   UNL     1       7.212   8.072   0.894  1.00  0.00           C  
HETATM   17  C   UNL     1      10.252   4.742   0.449  1.00  0.00           C  
HETATM   18  O   UNL     1      10.819   5.622   1.070  1.00  0.00           O  
HETATM   19  C   UNL     1      10.774   3.364   0.482  1.00  0.00           C  
HETATM   20  C   UNL     1      10.128   2.352  -0.235  1.00  0.00           C  
HETATM   21  C   UNL     1     -13.689  -6.027  -2.334  1.00  0.00           C  
HETATM   22  C   UNL     1     -13.352  -4.607  -1.957  1.00  0.00           C  
HETATM   23  C   UNL     1     -12.049  -4.151  -2.016  1.00  0.00           C  
HETATM   24  C   UNL     1     -12.751  -2.081  -1.284  1.00  0.00           C  
HETATM   25  C   UNL     1     -11.106  -0.360  -0.941  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.660   0.543   0.022  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.357   0.953   0.029  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.464   0.468  -0.931  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.058   0.910  -0.923  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.595   3.831  -0.964  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.610   5.302   0.727  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.408   6.347  -0.340  1.00  0.00           C  
HETATM   33  C   UNL     1       2.442   9.876   1.646  1.00  0.00           C  
HETATM   34  C   UNL     1      10.611   1.076  -0.204  1.00  0.00           C  
HETATM   35  C   UNL     1      11.749   0.774   0.540  1.00  0.00           C  
HETATM   36  C   UNL     1      12.158  -1.322  -0.568  1.00  0.00           C  
HETATM   37  C   UNL     1      12.611  -3.328  -1.610  1.00  0.00           C  
HETATM   38  C   UNL     1      13.661  -5.117  -0.381  1.00  0.00           C  
HETATM   39  C   UNL     1      13.081  -4.769   0.832  1.00  0.00           C  
HETATM   40  C   UNL     1      13.587  -5.277   2.013  1.00  0.00           C  
HETATM   41  C   UNL     1      14.672  -6.133   1.992  1.00  0.00           C  
HETATM   42  C   UNL     1      15.257  -6.486   0.780  1.00  0.00           C  
HETATM   43  C   UNL     1      18.295  -5.529   0.096  1.00  0.00           C  
HETATM   44  C   UNL     1      17.227  -4.438   0.003  1.00  0.00           C  
HETATM   45  C   UNL     1      19.439  -5.207  -0.867  1.00  0.00           C  
HETATM   46  C   UNL     1      18.834  -5.595   1.526  1.00  0.00           C  
HETATM   47  C   UNL     1      14.751  -5.977  -0.407  1.00  0.00           C  
HETATM   48  C   UNL     1      11.994  -2.848  -2.768  1.00  0.00           C  
HETATM   49  C   UNL     1      11.901  -3.706  -4.004  1.00  0.00           C  
HETATM   50  C   UNL     1      11.475  -1.568  -2.756  1.00  0.00           C  
HETATM   51  C   UNL     1      12.401   1.771   1.257  1.00  0.00           C  
HETATM   52  C   UNL     1      11.922   3.065   1.227  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.909  -0.440  -1.901  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.227  -0.849  -1.901  1.00  0.00           C  
HETATM   55  C   UNL     1     -14.350  -3.722  -1.544  1.00  0.00           C  
HETATM   56  C   UNL     1     -16.677  -3.211  -1.168  1.00  0.00           C  
HETATM   57  C   UNL     1     -17.783  -3.609  -0.430  1.00  0.00           C  
HETATM   58  C   UNL     1     -18.775  -2.690  -0.122  1.00  0.00           C  
HETATM   59  C   UNL     1     -18.685  -3.401   3.066  1.00  0.00           C  
HETATM   60  C   UNL     1     -17.338  -3.033   2.441  1.00  0.00           C  
HETATM   61  C   UNL     1     -18.459  -4.353   4.242  1.00  0.00           C  
HETATM   62  C   UNL     1     -19.380  -2.132   3.563  1.00  0.00           C  
HETATM   63  C   UNL     1     -18.658  -1.372  -0.554  1.00  0.00           C  
HETATM   64  C   UNL     1     -17.555  -0.980  -1.288  1.00  0.00           C  
HETATM   65  C   UNL     1     -16.566  -1.894  -1.596  1.00  0.00           C  
HETATM   66  F   UNL     1      12.555   4.039   1.917  1.00  0.00           F  
HETATM   67  F   UNL     1      -8.052  -0.913  -2.831  1.00  0.00           F  
HETATM   68  N   UNL     1     -11.785  -2.898  -1.677  1.00  0.00           N  
HETATM   69  N   UNL     1     -12.434  -0.777  -0.938  1.00  0.00           N  
HETATM   70  N   UNL     1      -6.631   1.783   0.010  1.00  0.00           N  
HETATM   71  N   UNL     1      -3.172   4.118   0.414  1.00  0.00           N  
HETATM   72  N   UNL     1       6.563   8.327  -0.399  1.00  0.00           N  
HETATM   73  N   UNL     1       9.148   5.028  -0.268  1.00  0.00           N  
HETATM   74  N   UNL     1      12.235  -0.531   0.567  1.00  0.00           N  
HETATM   75  N   UNL     1      12.673  -2.542  -0.540  1.00  0.00           N  
HETATM   76  N   UNL     1      13.145  -4.607  -1.577  1.00  0.00           N  
HETATM   77  N   UNL     1      16.353  -7.352   0.759  1.00  0.00           N  
HETATM   78  N   UNL     1      11.568  -0.842  -1.651  1.00  0.00           N  
HETATM   79  N   UNL     1     -14.013  -2.477  -1.219  1.00  0.00           N  
HETATM   80  N   UNL     1     -15.672  -4.134  -1.475  1.00  0.00           N  
HETATM   81  N   UNL     1     -19.890  -3.086   0.620  1.00  0.00           N  
HETATM   82  O   UNL     1      -6.283   0.487  -1.759  1.00  0.00           O  
HETATM   83  O   UNL     1      -2.266   5.527   1.868  1.00  0.00           O  
HETATM   84  O   UNL     1       3.246   9.579   0.502  1.00  0.00           O  
HETATM   85  O   UNL     1       4.780   9.010  -1.528  1.00  0.00           O  
HETATM   86  O   UNL     1      16.886  -7.039  -1.594  1.00  0.00           O  
HETATM   87  O   UNL     1      18.478  -8.185  -0.087  1.00  0.00           O  
HETATM   88  O   UNL     1     -19.025  -5.284   1.206  1.00  0.00           O  
HETATM   89  O   UNL     1     -21.047  -4.392   2.317  1.00  0.00           O  
HETATM   90  S   UNL     1      17.563  -7.129  -0.349  1.00  0.00           S  
HETATM   91  S   UNL     1     -19.727  -4.213   1.822  1.00  0.00           S  
HETATM   92 CL   UNL     1      15.304  -6.769   3.478  1.00  0.00          Cl  
HETATM   93 CL   UNL     1     -19.899  -0.221  -0.170  1.00  0.00          Cl  
HETATM   94  H   UNL     1      -4.592   1.399  -0.294  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.471   3.503   1.735  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.990   1.834   2.124  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.120   3.497   2.422  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.743   2.228   1.229  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.362   3.089  -1.951  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.686   4.230  -0.623  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.900   8.208  -1.487  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.511   8.879  -1.133  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.814  10.581  -0.666  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.534  10.039   0.869  1.00  0.00           H  
HETATM  105  H   UNL     1       1.218  11.247   0.523  1.00  0.00           H  
HETATM  106  H   UNL     1       0.498  10.706   2.058  1.00  0.00           H  
HETATM  107  H   UNL     1       4.456   8.163   1.396  1.00  0.00           H  
HETATM  108  H   UNL     1       5.087   9.827   1.407  1.00  0.00           H  
HETATM  109  H   UNL     1       8.158   8.736  -1.708  1.00  0.00           H  
HETATM  110  H   UNL     1       6.658   8.178  -2.494  1.00  0.00           H  
HETATM  111  H   UNL     1       6.978   5.921  -1.602  1.00  0.00           H  
HETATM  112  H   UNL     1       8.463   6.419  -2.449  1.00  0.00           H  
HETATM  113  H   UNL     1       9.460   7.101  -0.273  1.00  0.00           H  
HETATM  114  H   UNL     1       6.879   5.942   0.873  1.00  0.00           H  
HETATM  115  H   UNL     1       8.292   6.456   1.827  1.00  0.00           H  
HETATM  116  H   UNL     1       6.491   8.214   1.699  1.00  0.00           H  
HETATM  117  H   UNL     1       8.048   8.759   1.027  1.00  0.00           H  
HETATM  118  H   UNL     1       9.245   2.581  -0.813  1.00  0.00           H  
HETATM  119  H   UNL     1     -13.913  -6.076  -3.400  1.00  0.00           H  
HETATM  120  H   UNL     1     -12.841  -6.674  -2.111  1.00  0.00           H  
HETATM  121  H   UNL     1     -14.558  -6.358  -1.765  1.00  0.00           H  
HETATM  122  H   UNL     1     -11.255  -4.810  -2.335  1.00  0.00           H  
HETATM  123  H   UNL     1     -11.346   0.920   0.765  1.00  0.00           H  
HETATM  124  H   UNL     1      -9.016   1.653   0.777  1.00  0.00           H  
HETATM  125  H   UNL     1      -2.980   3.030  -1.375  1.00  0.00           H  
HETATM  126  H   UNL     1      -3.485   4.728  -1.574  1.00  0.00           H  
HETATM  127  H   UNL     1      -3.373   6.619  -0.769  1.00  0.00           H  
HETATM  128  H   UNL     1      -1.763   5.947  -1.122  1.00  0.00           H  
HETATM  129  H   UNL     1       2.937  10.636   2.250  1.00  0.00           H  
HETATM  130  H   UNL     1       2.306   8.972   2.239  1.00  0.00           H  
HETATM  131  H   UNL     1      10.109   0.297  -0.759  1.00  0.00           H  
HETATM  132  H   UNL     1      12.233  -4.100   0.851  1.00  0.00           H  
HETATM  133  H   UNL     1      13.134  -5.004   2.955  1.00  0.00           H  
HETATM  134  H   UNL     1      17.666  -3.476   0.270  1.00  0.00           H  
HETATM  135  H   UNL     1      16.842  -4.391  -1.016  1.00  0.00           H  
HETATM  136  H   UNL     1      16.412  -4.668   0.689  1.00  0.00           H  
HETATM  137  H   UNL     1      20.200  -5.984  -0.801  1.00  0.00           H  
HETATM  138  H   UNL     1      19.054  -5.160  -1.886  1.00  0.00           H  
HETATM  139  H   UNL     1      19.878  -4.245  -0.600  1.00  0.00           H  
HETATM  140  H   UNL     1      18.019  -5.825   2.212  1.00  0.00           H  
HETATM  141  H   UNL     1      19.595  -6.373   1.592  1.00  0.00           H  
HETATM  142  H   UNL     1      19.274  -4.634   1.793  1.00  0.00           H  
HETATM  143  H   UNL     1      15.201  -6.252  -1.349  1.00  0.00           H  
HETATM  144  H   UNL     1      10.978  -4.285  -3.976  1.00  0.00           H  
HETATM  145  H   UNL     1      11.904  -3.069  -4.889  1.00  0.00           H  
HETATM  146  H   UNL     1      12.754  -4.383  -4.041  1.00  0.00           H  
HETATM  147  H   UNL     1      10.992  -1.167  -3.634  1.00  0.00           H  
HETATM  148  H   UNL     1      13.283   1.534   1.834  1.00  0.00           H  
HETATM  149  H   UNL     1     -10.576  -1.549  -2.646  1.00  0.00           H  
HETATM  150  H   UNL     1     -17.871  -4.632  -0.096  1.00  0.00           H  
HETATM  151  H   UNL     1     -16.712  -2.545   3.188  1.00  0.00           H  
HETATM  152  H   UNL     1     -16.843  -3.937   2.086  1.00  0.00           H  
HETATM  153  H   UNL     1     -17.499  -2.355   1.603  1.00  0.00           H  
HETATM  154  H   UNL     1     -19.418  -4.616   4.687  1.00  0.00           H  
HETATM  155  H   UNL     1     -17.963  -5.258   3.887  1.00  0.00           H  
HETATM  156  H   UNL     1     -17.833  -3.865   4.989  1.00  0.00           H  
HETATM  157  H   UNL     1     -19.542  -1.454   2.725  1.00  0.00           H  
HETATM  158  H   UNL     1     -20.340  -2.395   4.009  1.00  0.00           H  
HETATM  159  H   UNL     1     -18.754  -1.645   4.310  1.00  0.00           H  
HETATM  160  H   UNL     1     -17.467   0.043  -1.623  1.00  0.00           H  
HETATM  161  H   UNL     1     -15.705  -1.584  -2.170  1.00  0.00           H  
HETATM  162  H   UNL     1     -13.137  -0.155  -0.693  1.00  0.00           H  
HETATM  163  H   UNL     1      -7.250   2.121   0.677  1.00  0.00           H  
HETATM  164  H   UNL     1       8.696   4.326  -0.762  1.00  0.00           H  
HETATM  165  H   UNL     1      12.627  -0.886   1.380  1.00  0.00           H  
HETATM  166  H   UNL     1      13.161  -5.147  -2.382  1.00  0.00           H  
HETATM  167  H   UNL     1      16.405  -8.084   1.393  1.00  0.00           H  
HETATM  168  H   UNL     1     -15.899  -5.062  -1.640  1.00  0.00           H  
HETATM  169  H   UNL     1     -20.761  -2.701   0.431  1.00  0.00           H  
CONECT    1   70    4    2   94                                       
CONECT    2    1    3   95   96                                       
CONECT    3    2   71   97   98                                       
CONECT    4    1   30   99  100                                       
CONECT    5    6   32                                                 
CONECT    6    7    5  101  102                                       
CONECT    7    8    6  103  104                                       
CONECT    8    9    7                                                 
CONECT    9   33    8  105  106                                       
CONECT   10   11   84  107  108                                       
CONECT   11   85   85   10   72                                       
CONECT   12   72   13  109  110                                       
CONECT   13   12   14  111  112                                       
CONECT   14   13   73   15  113                                       
CONECT   15   14   16  114  115                                       
CONECT   16   72   15  116  117                                       
CONECT   17   73   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   52   52   20                                       
CONECT   20   19   34   34  118                                       
CONECT   21   22  119  120  121                                       
CONECT   22   21   23   23   55                                       
CONECT   23   22   22   68  122                                       
CONECT   24   68   68   79   69                                       
CONECT   25   69   54   54   26                                       
CONECT   26   25   27   27  123                                       
CONECT   27   26   26   28  124                                       
CONECT   28   53   53   27   29                                       
CONECT   29   28   82   82   70                                       
CONECT   30    4   71  125  126                                       
CONECT   31   71   32   83   83                                       
CONECT   32   31    5  127  128                                       
CONECT   33   84    9  129  130                                       
CONECT   34   20   20   35  131                                       
CONECT   35   51   51   34   74                                       
CONECT   36   74   75   75   78                                       
CONECT   37   75   76   48   48                                       
CONECT   38   39   39   47   76                                       
CONECT   39   40   38   38  132                                       
CONECT   40   41   41   39  133                                       
CONECT   41   92   40   40   42                                       
CONECT   42   41   77   47   47                                       
CONECT   43   45   90   46   44                                       
CONECT   44   43  134  135  136                                       
CONECT   45   43  137  138  139                                       
CONECT   46   43  140  141  142                                       
CONECT   47   42   42   38  143                                       
CONECT   48   37   37   50   49                                       
CONECT   49   48  144  145  146                                       
CONECT   50   78   78   48  147                                       
CONECT   51   52   35   35  148                                       
CONECT   52   66   19   19   51                                       
CONECT   53   54   67   28   28                                       
CONECT   54   25   25   53  149                                       
CONECT   55   22   80   79   79                                       
CONECT   56   80   65   65   57                                       
CONECT   57   56   58   58  150                                       
CONECT   58   57   57   63   81                                       
CONECT   59   91   61   62   60                                       
CONECT   60   59  151  152  153                                       
CONECT   61   59  154  155  156                                       
CONECT   62   59  157  158  159                                       
CONECT   63   64   64   58   93                                       
CONECT   64   65   63   63  160                                       
CONECT   65   56   56   64  161                                       
CONECT   66   52                                                      
CONECT   67   53                                                      
CONECT   68   23   24   24                                            
CONECT   69   24   25  162                                            
CONECT   70   29    1  163                                            
CONECT   71   30    3   31                                            
CONECT   72   11   12   16                                            
CONECT   73   14   17  164                                            
CONECT   74   35   36  165                                            
CONECT   75   36   36   37                                            
CONECT   76   38   37  166                                            
CONECT   77   42   90  167                                            
CONECT   78   36   50   50                                            
CONECT   79   55   55   24                                            
CONECT   80   55   56  168                                            
CONECT   81   58   91  169                                            
CONECT   82   29   29                                                 
CONECT   83   31   31                                                 
CONECT   84   33   10                                                 
CONECT   85   11   11                                                 
CONECT   86   90   90                                                 
CONECT   87   90   90                                                 
CONECT   88   91   91                                                 
CONECT   89   91   91                                                 
CONECT   90   77   87   87   43                                       
CONECT   90   86   86                                                 
CONECT   91   89   89   81   88                                       
CONECT   91   88   59                                                 
CONECT   92   41                                                      
CONECT   93   63                                                      
CONECT   94    1                                                      
CONECT   95    2                                                      
CONECT   96    2                                                      
CONECT   97    3                                                      
CONECT   98    3                                                      
CONECT   99    4                                                      
CONECT  100    4                                                      
CONECT  101    6                                                      
CONECT  102    6                                                      
CONECT  103    7                                                      
CONECT  104    7                                                      
CONECT  105    9                                                      
CONECT  106    9                                                      
CONECT  107   10                                                      
CONECT  108   10                                                      
CONECT  109   12                                                      
CONECT  110   12                                                      
CONECT  111   13                                                      
CONECT  112   13                                                      
CONECT  113   14                                                      
CONECT  114   15                                                      
CONECT  115   15                                                      
CONECT  116   16                                                      
CONECT  117   16                                                      
CONECT  118   20                                                      
CONECT  119   21                                                      
CONECT  120   21                                                      
CONECT  121   21                                                      
CONECT  122   23                                                      
CONECT  123   26                                                      
CONECT  124   27                                                      
CONECT  125   30                                                      
CONECT  126   30                                                      
CONECT  127   32                                                      
CONECT  128   32                                                      
CONECT  129   33                                                      
CONECT  130   33                                                      
CONECT  131   34                                                      
CONECT  132   39                                                      
CONECT  133   40                                                      
CONECT  134   44                                                      
CONECT  135   44                                                      
CONECT  136   44                                                      
CONECT  137   45                                                      
CONECT  138   45                                                      
CONECT  139   45                                                      
CONECT  140   46                                                      
CONECT  141   46                                                      
CONECT  142   46                                                      
CONECT  143   47                                                      
CONECT  144   49                                                      
CONECT  145   49                                                      
CONECT  146   49                                                      
CONECT  147   50                                                      
CONECT  148   51                                                      
CONECT  149   54                                                      
CONECT  150   57                                                      
CONECT  151   60                                                      
CONECT  152   60                                                      
CONECT  153   60                                                      
CONECT  154   61                                                      
CONECT  155   61                                                      
CONECT  156   61                                                      
CONECT  157   62                                                      
CONECT  158   62                                                      
CONECT  159   62                                                      
CONECT  160   64                                                      
CONECT  161   65                                                      
CONECT  162   69                                                      
CONECT  163   70                                                      
CONECT  164   73                                                      
CONECT  165   74                                                      
CONECT  166   76                                                      
CONECT  167   77                                                      
CONECT  168   80                                                      
CONECT  169   81                                                      
MASTER        0    0    0    0    0    0    0    0  169    0  169    0
END
