COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.933  -2.420   0.572  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.800  -4.007  -0.570  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.571  -1.066  -0.041  1.00  0.00           C  
HETATM    4  C   UNL     1       1.942  -1.949   3.980  1.00  0.00           C  
HETATM    5  C   UNL     1       5.215  -3.371   2.900  1.00  0.00           C  
HETATM    6  C   UNL     1       1.106  -0.874   3.284  1.00  0.00           C  
HETATM    7  C   UNL     1       3.984  -3.190   3.790  1.00  0.00           C  
HETATM    8  C   UNL     1      11.200   1.210  -0.492  1.00  0.00           C  
HETATM    9  C   UNL     1      11.395   2.585   0.094  1.00  0.00           C  
HETATM   10  C   UNL     1       7.118  -2.158   2.152  1.00  0.00           C  
HETATM   11  N   UNL     1      12.531   3.238  -0.562  1.00  0.00           N  
HETATM   12  C   UNL     1      11.674  -1.105   0.189  1.00  0.00           C  
HETATM   13  C   UNL     1       9.440  -2.132   0.630  1.00  0.00           C  
HETATM   14  C   UNL     1      12.746  -0.969  -0.861  1.00  0.00           C  
HETATM   15  C   UNL     1      17.027  -1.956  -1.924  1.00  0.00           C  
HETATM   16  C   UNL     1      15.448   3.834  -0.927  1.00  0.00           C  
HETATM   17  C   UNL     1       9.909   0.243   1.358  1.00  0.00           C  
HETATM   18  C   UNL     1       9.076  -1.014   1.347  1.00  0.00           C  
HETATM   19  C   UNL     1       7.913  -1.026   2.103  1.00  0.00           C  
HETATM   20  C   UNL     1       7.491  -3.288   1.437  1.00  0.00           C  
HETATM   21  C   UNL     1       8.644  -3.271   0.683  1.00  0.00           C  
HETATM   22  C   UNL     1      10.679  -2.187  -0.225  1.00  0.00           C  
HETATM   23  C   UNL     1      14.382   4.879  -0.594  1.00  0.00           C  
HETATM   24  C   UNL     1      14.518  -1.911  -2.243  1.00  0.00           C  
HETATM   25  C   UNL     1      14.729  -3.262  -2.924  1.00  0.00           C  
HETATM   26  C   UNL     1      15.961  -3.159  -3.831  1.00  0.00           C  
HETATM   27  C   UNL     1      17.202  -3.047  -2.947  1.00  0.00           C  
HETATM   28  C   UNL     1      15.793  -1.440  -1.594  1.00  0.00           C  
HETATM   29  C   UNL     1      15.699  -0.446  -0.629  1.00  0.00           C  
HETATM   30  C   UNL     1      16.831   0.033  -0.003  1.00  0.00           C  
HETATM   31  C   UNL     1      13.213   4.207   0.080  1.00  0.00           C  
HETATM   32  C   UNL     1      18.070  -0.480  -0.338  1.00  0.00           C  
HETATM   33  C   UNL     1      18.165  -1.470  -1.294  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.143  -0.435   1.285  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.891  -2.841  -0.963  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.899  -4.514   0.470  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.115  -3.862   1.131  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.225  -1.534  -1.691  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.106  -0.046  -2.035  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.425   0.657  -1.704  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.712   0.528  -0.206  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.849  -0.953   0.158  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.070   2.257   0.977  1.00  0.00           C  
HETATM   44  C   UNL     1     -12.409   2.639   1.004  1.00  0.00           C  
HETATM   45  C   UNL     1     -13.109   1.745   0.074  1.00  0.00           C  
HETATM   46  C   UNL     1     -14.557   1.762  -0.241  1.00  0.00           C  
HETATM   47  C   UNL     1     -14.995   1.458  -1.530  1.00  0.00           C  
HETATM   48  C   UNL     1     -16.343   1.474  -1.820  1.00  0.00           C  
HETATM   49  C   UNL     1     -17.264   1.791  -0.830  1.00  0.00           C  
HETATM   50  C   UNL     1     -16.831   2.093   0.454  1.00  0.00           C  
HETATM   51  C   UNL     1     -15.485   2.074   0.752  1.00  0.00           C  
HETATM   52  C   UNL     1     -19.228   0.612  -1.257  1.00  0.00           C  
HETATM   53  C   UNL     1     -18.550  -0.570  -1.000  1.00  0.00           C  
HETATM   54  C   UNL     1     -19.199  -1.782  -1.135  1.00  0.00           C  
HETATM   55  C   UNL     1     -20.527  -1.818  -1.527  1.00  0.00           C  
HETATM   56  C   UNL     1     -21.207  -0.640  -1.785  1.00  0.00           C  
HETATM   57  C   UNL     1     -20.560   0.575  -1.650  1.00  0.00           C  
HETATM   58  C   UNL     1     -13.001   3.718   1.801  1.00  0.00           C  
HETATM   59  C   UNL     1      10.131   3.418  -0.126  1.00  0.00           C  
HETATM   60  C   UNL     1      10.316   4.801   0.500  1.00  0.00           C  
HETATM   61  C   UNL     1       9.874   3.568  -1.627  1.00  0.00           C  
HETATM   62  C   UNL     1       8.938   2.718   0.528  1.00  0.00           C  
HETATM   63  C   UNL     1      15.649   6.937  -0.452  1.00  0.00           C  
HETATM   64  F   UNL     1     -21.222   1.726  -1.901  1.00  0.00           F  
HETATM   65  F   UNL     1     -21.160  -3.005  -1.659  1.00  0.00           F  
HETATM   66  N   UNL     1      13.476  -2.043  -1.222  1.00  0.00           N  
HETATM   67  N   UNL     1      -8.643  -1.664  -0.289  1.00  0.00           N  
HETATM   68  N   UNL     1     -10.958   1.228   0.115  1.00  0.00           N  
HETATM   69  N   UNL     1     -12.211   0.929  -0.427  1.00  0.00           N  
HETATM   70  N   UNL     1     -13.470   3.462   3.038  1.00  0.00           N  
HETATM   71  N   UNL     1     -10.044   2.831   1.699  1.00  0.00           N  
HETATM   72  N   UNL     1      14.951   5.890   0.306  1.00  0.00           N  
HETATM   73  N   UNL     1      10.938   0.164   0.316  1.00  0.00           N  
HETATM   74  O   UNL     1      12.953   0.107  -1.381  1.00  0.00           O  
HETATM   75  O   UNL     1       5.983  -2.166   2.899  1.00  0.00           O  
HETATM   76  O   UNL     1       3.128  -2.196   3.223  1.00  0.00           O  
HETATM   77  O   UNL     1       0.652  -1.367   2.022  1.00  0.00           O  
HETATM   78  O   UNL     1      12.887   4.538   1.201  1.00  0.00           O  
HETATM   79  O   UNL     1      -1.432  -2.177   0.216  1.00  0.00           O  
HETATM   80  O   UNL     1      -3.978  -3.501   0.062  1.00  0.00           O  
HETATM   81  O   UNL     1      -6.830  -3.066   0.149  1.00  0.00           O  
HETATM   82  O   UNL     1      -8.286  -2.515   1.731  1.00  0.00           O  
HETATM   83  O   UNL     1     -18.591   1.805  -1.119  1.00  0.00           O  
HETATM   84  O   UNL     1     -13.068   4.845   1.346  1.00  0.00           O  
HETATM   85  O   UNL     1      11.277   1.046  -1.691  1.00  0.00           O  
HETATM   86  H   UNL     1      -3.079  -4.568  -1.463  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.271  -4.664   0.120  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.101  -0.326  -0.641  1.00  0.00           H  
HETATM   89  H   UNL     1       0.312  -1.408  -0.582  1.00  0.00           H  
HETATM   90  H   UNL     1       2.213  -1.607   4.979  1.00  0.00           H  
HETATM   91  H   UNL     1       1.361  -2.868   4.056  1.00  0.00           H  
HETATM   92  H   UNL     1       5.824  -4.189   3.283  1.00  0.00           H  
HETATM   93  H   UNL     1       4.897  -3.600   1.883  1.00  0.00           H  
HETATM   94  H   UNL     1       0.247  -0.622   3.905  1.00  0.00           H  
HETATM   95  H   UNL     1       1.715   0.016   3.128  1.00  0.00           H  
HETATM   96  H   UNL     1       3.445  -4.135   3.862  1.00  0.00           H  
HETATM   97  H   UNL     1       4.298  -2.874   4.785  1.00  0.00           H  
HETATM   98  H   UNL     1      11.592   2.499   1.163  1.00  0.00           H  
HETATM   99  H   UNL     1      12.792   2.973  -1.457  1.00  0.00           H  
HETATM  100  H   UNL     1      12.127  -1.366   1.146  1.00  0.00           H  
HETATM  101  H   UNL     1      15.026   3.083  -1.595  1.00  0.00           H  
HETATM  102  H   UNL     1      16.293   4.320  -1.415  1.00  0.00           H  
HETATM  103  H   UNL     1      15.786   3.354  -0.008  1.00  0.00           H  
HETATM  104  H   UNL     1       9.268   1.105   1.170  1.00  0.00           H  
HETATM  105  H   UNL     1      10.386   0.353   2.332  1.00  0.00           H  
HETATM  106  H   UNL     1       7.625  -0.145   2.658  1.00  0.00           H  
HETATM  107  H   UNL     1       6.880  -4.178   1.472  1.00  0.00           H  
HETATM  108  H   UNL     1       8.932  -4.151   0.126  1.00  0.00           H  
HETATM  109  H   UNL     1      10.400  -2.037  -1.268  1.00  0.00           H  
HETATM  110  H   UNL     1      11.147  -3.165  -0.117  1.00  0.00           H  
HETATM  111  H   UNL     1      14.044   5.359  -1.513  1.00  0.00           H  
HETATM  112  H   UNL     1      14.202  -1.179  -2.987  1.00  0.00           H  
HETATM  113  H   UNL     1      14.892  -4.032  -2.169  1.00  0.00           H  
HETATM  114  H   UNL     1      13.853  -3.513  -3.521  1.00  0.00           H  
HETATM  115  H   UNL     1      16.034  -4.051  -4.454  1.00  0.00           H  
HETATM  116  H   UNL     1      15.879  -2.275  -4.463  1.00  0.00           H  
HETATM  117  H   UNL     1      18.067  -2.819  -3.570  1.00  0.00           H  
HETATM  118  H   UNL     1      17.367  -3.995  -2.437  1.00  0.00           H  
HETATM  119  H   UNL     1      14.731  -0.043  -0.368  1.00  0.00           H  
HETATM  120  H   UNL     1      16.750   0.807   0.746  1.00  0.00           H  
HETATM  121  H   UNL     1      18.960  -0.108   0.147  1.00  0.00           H  
HETATM  122  H   UNL     1      19.134  -1.871  -1.555  1.00  0.00           H  
HETATM  123  H   UNL     1       0.441   0.464   1.088  1.00  0.00           H  
HETATM  124  H   UNL     1      -1.028  -0.174   1.865  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.036  -3.220  -1.524  1.00  0.00           H  
HETATM  126  H   UNL     1      -2.449  -2.138  -1.582  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.413  -5.182   1.182  1.00  0.00           H  
HETATM  128  H   UNL     1      -5.221  -5.085  -0.401  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.776  -4.636   1.522  1.00  0.00           H  
HETATM  130  H   UNL     1      -5.784  -3.220   1.948  1.00  0.00           H  
HETATM  131  H   UNL     1      -8.969  -2.000  -2.338  1.00  0.00           H  
HETATM  132  H   UNL     1      -7.261  -2.022  -1.832  1.00  0.00           H  
HETATM  133  H   UNL     1      -7.301   0.399  -1.451  1.00  0.00           H  
HETATM  134  H   UNL     1      -7.891   0.066  -3.098  1.00  0.00           H  
HETATM  135  H   UNL     1      -9.351   1.711  -1.971  1.00  0.00           H  
HETATM  136  H   UNL     1     -10.234   0.195  -2.270  1.00  0.00           H  
HETATM  137  H   UNL     1      -8.891   0.968   0.360  1.00  0.00           H  
HETATM  138  H   UNL     1      -9.955  -1.056   1.238  1.00  0.00           H  
HETATM  139  H   UNL     1     -10.726  -1.372  -0.336  1.00  0.00           H  
HETATM  140  H   UNL     1     -14.279   1.212  -2.300  1.00  0.00           H  
HETATM  141  H   UNL     1     -16.683   1.240  -2.818  1.00  0.00           H  
HETATM  142  H   UNL     1     -17.549   2.339   1.222  1.00  0.00           H  
HETATM  143  H   UNL     1     -15.148   2.309   1.751  1.00  0.00           H  
HETATM  144  H   UNL     1     -17.514  -0.544  -0.695  1.00  0.00           H  
HETATM  145  H   UNL     1     -18.671  -2.703  -0.936  1.00  0.00           H  
HETATM  146  H   UNL     1     -22.242  -0.670  -2.090  1.00  0.00           H  
HETATM  147  H   UNL     1      11.166   5.300   0.034  1.00  0.00           H  
HETATM  148  H   UNL     1       9.416   5.395   0.343  1.00  0.00           H  
HETATM  149  H   UNL     1      10.500   4.695   1.569  1.00  0.00           H  
HETATM  150  H   UNL     1       9.742   2.582  -2.073  1.00  0.00           H  
HETATM  151  H   UNL     1       8.973   4.161  -1.784  1.00  0.00           H  
HETATM  152  H   UNL     1      10.724   4.067  -2.093  1.00  0.00           H  
HETATM  153  H   UNL     1       9.119   2.615   1.598  1.00  0.00           H  
HETATM  154  H   UNL     1       8.037   3.309   0.367  1.00  0.00           H  
HETATM  155  H   UNL     1       8.809   1.730   0.085  1.00  0.00           H  
HETATM  156  H   UNL     1      16.458   6.489  -1.030  1.00  0.00           H  
HETATM  157  H   UNL     1      14.948   7.426  -1.128  1.00  0.00           H  
HETATM  158  H   UNL     1      16.062   7.673   0.238  1.00  0.00           H  
HETATM  159  H   UNL     1      13.311  -2.904  -0.806  1.00  0.00           H  
HETATM  160  H   UNL     1     -13.417   2.564   3.401  1.00  0.00           H  
HETATM  161  H   UNL     1     -13.861   4.175   3.566  1.00  0.00           H  
HETATM  162  H   UNL     1     -10.226   3.575   2.294  1.00  0.00           H  
HETATM  163  H   UNL     1      -9.140   2.491   1.611  1.00  0.00           H  
HETATM  164  H   UNL     1      14.239   6.288   0.900  1.00  0.00           H  
CONECT    1   82   82   67   81                                       
CONECT    2   35   80   86   87                                       
CONECT    3   79   34   88   89                                       
CONECT    4    6   76   90   91                                       
CONECT    5    7   75   92   93                                       
CONECT    6    4   77   94   95                                       
CONECT    7   76    5   96   97                                       
CONECT    8   73   85   85    9                                       
CONECT    9    8   11   59   98                                       
CONECT   10   20   75   19   19                                       
CONECT   11   31    9   99                                            
CONECT   12   22   73   14  100                                       
CONECT   13   21   22   18   18                                       
CONECT   14   12   66   74   74                                       
CONECT   15   27   33   33   28                                       
CONECT   16   23  101  102  103                                       
CONECT   17   18   73  104  105                                       
CONECT   18   13   13   19   17                                       
CONECT   19   10   10   18  106                                       
CONECT   20   21   21   10  107                                       
CONECT   21   20   20   13  108                                       
CONECT   22   13   12  109  110                                       
CONECT   23   16   31   72  111                                       
CONECT   24   66   25   28  112                                       
CONECT   25   26   24  113  114                                       
CONECT   26   27   25  115  116                                       
CONECT   27   26   15  117  118                                       
CONECT   28   15   24   29   29                                       
CONECT   29   28   28   30  119                                       
CONECT   30   32   32   29  120                                       
CONECT   31   78   78   23   11                                       
CONECT   32   33   30   30  121                                       
CONECT   33   15   15   32  122                                       
CONECT   34   77    3  123  124                                       
CONECT   35    2   79  125  126                                       
CONECT   36   80   37  127  128                                       
CONECT   37   36   81  129  130                                       
CONECT   38   39   67  131  132                                       
CONECT   39   40   38  133  134                                       
CONECT   40   39   41  135  136                                       
CONECT   41   40   68   42  137                                       
CONECT   42   41   67  138  139                                       
CONECT   43   68   71   44   44                                       
CONECT   44   43   43   45   58                                       
CONECT   45   69   69   44   46                                       
CONECT   46   51   45   47   47                                       
CONECT   47   46   46   48  140                                       
CONECT   48   49   49   47  141                                       
CONECT   49   50   83   48   48                                       
CONECT   50   51   51   49  142                                       
CONECT   51   50   50   46  143                                       
CONECT   52   83   57   57   53                                       
CONECT   53   52   54   54  144                                       
CONECT   54   53   53   55  145                                       
CONECT   55   56   56   54   65                                       
CONECT   56   57   55   55  146                                       
CONECT   57   64   52   52   56                                       
CONECT   58   84   84   44   70                                       
CONECT   59    9   61   62   60                                       
CONECT   60   59  147  148  149                                       
CONECT   61   59  150  151  152                                       
CONECT   62   59  153  154  155                                       
CONECT   63   72  156  157  158                                       
CONECT   64   57                                                      
CONECT   65   55                                                      
CONECT   66   14   24  159                                            
CONECT   67   38    1   42                                            
CONECT   68   41   69   43                                            
CONECT   69   68   45   45                                            
CONECT   70   58  160  161                                            
CONECT   71   43  162  163                                            
CONECT   72   23   63  164                                            
CONECT   73   17   12    8                                            
CONECT   74   14   14                                                 
CONECT   75   10    5                                                 
CONECT   76    4    7                                                 
CONECT   77    6   34                                                 
CONECT   78   31   31                                                 
CONECT   79   35    3                                                 
CONECT   80    2   36                                                 
CONECT   81    1   37                                                 
CONECT   82    1    1                                                 
CONECT   83   49   52                                                 
CONECT   84   58   58                                                 
CONECT   85    8    8                                                 
CONECT   86    2                                                      
CONECT   87    2                                                      
CONECT   88    3                                                      
CONECT   89    3                                                      
CONECT   90    4                                                      
CONECT   91    4                                                      
CONECT   92    5                                                      
CONECT   93    5                                                      
CONECT   94    6                                                      
CONECT   95    6                                                      
CONECT   96    7                                                      
CONECT   97    7                                                      
CONECT   98    9                                                      
CONECT   99   11                                                      
CONECT  100   12                                                      
CONECT  101   16                                                      
CONECT  102   16                                                      
CONECT  103   16                                                      
CONECT  104   17                                                      
CONECT  105   17                                                      
CONECT  106   19                                                      
CONECT  107   20                                                      
CONECT  108   21                                                      
CONECT  109   22                                                      
CONECT  110   22                                                      
CONECT  111   23                                                      
CONECT  112   24                                                      
CONECT  113   25                                                      
CONECT  114   25                                                      
CONECT  115   26                                                      
CONECT  116   26                                                      
CONECT  117   27                                                      
CONECT  118   27                                                      
CONECT  119   29                                                      
CONECT  120   30                                                      
CONECT  121   32                                                      
CONECT  122   33                                                      
CONECT  123   34                                                      
CONECT  124   34                                                      
CONECT  125   35                                                      
CONECT  126   35                                                      
CONECT  127   36                                                      
CONECT  128   36                                                      
CONECT  129   37                                                      
CONECT  130   37                                                      
CONECT  131   38                                                      
CONECT  132   38                                                      
CONECT  133   39                                                      
CONECT  134   39                                                      
CONECT  135   40                                                      
CONECT  136   40                                                      
CONECT  137   41                                                      
CONECT  138   42                                                      
CONECT  139   42                                                      
CONECT  140   47                                                      
CONECT  141   48                                                      
CONECT  142   50                                                      
CONECT  143   51                                                      
CONECT  144   53                                                      
CONECT  145   54                                                      
CONECT  146   56                                                      
CONECT  147   60                                                      
CONECT  148   60                                                      
CONECT  149   60                                                      
CONECT  150   61                                                      
CONECT  151   61                                                      
CONECT  152   61                                                      
CONECT  153   62                                                      
CONECT  154   62                                                      
CONECT  155   62                                                      
CONECT  156   63                                                      
CONECT  157   63                                                      
CONECT  158   63                                                      
CONECT  159   66                                                      
CONECT  160   70                                                      
CONECT  161   70                                                      
CONECT  162   71                                                      
CONECT  163   71                                                      
CONECT  164   72                                                      
MASTER        0    0    0    0    0    0    0    0  164    0  164    0
END
