COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      17.944  -0.533  -1.460  1.00  0.00           C  
HETATM    2  C   UNL     1      16.647   0.209  -1.122  1.00  0.00           C  
HETATM    3  C   UNL     1      16.429   0.169   0.393  1.00  0.00           C  
HETATM    4  C   UNL     1      17.646   0.781   1.092  1.00  0.00           C  
HETATM    5  C   UNL     1      17.462   0.691   2.609  1.00  0.00           C  
HETATM    6  C   UNL     1      19.103   0.106  -0.689  1.00  0.00           C  
HETATM    7  O   UNL     1      20.307  -0.616  -0.955  1.00  0.00           O  
HETATM    8  O   UNL     1      18.196  -0.440  -2.863  1.00  0.00           O  
HETATM    9  O   UNL     1      15.549  -0.426  -1.780  1.00  0.00           O  
HETATM   10  O   UNL     1      15.259   0.920   0.727  1.00  0.00           O  
HETATM   11  O   UNL     1      18.822   0.064   0.711  1.00  0.00           O  
HETATM   12  O   UNL     1      18.541   1.364   3.260  1.00  0.00           O  
HETATM   13  C   UNL     1      12.895   1.019   1.224  1.00  0.00           C  
HETATM   14  C   UNL     1      11.600   0.203   1.175  1.00  0.00           C  
HETATM   15  C   UNL     1      11.385  -0.307  -0.254  1.00  0.00           C  
HETATM   16  C   UNL     1      12.604  -1.126  -0.683  1.00  0.00           C  
HETATM   17  C   UNL     1      12.424  -1.589  -2.131  1.00  0.00           C  
HETATM   18  C   UNL     1      14.057   0.148   0.737  1.00  0.00           C  
HETATM   19  O   UNL     1      13.144   1.439   2.567  1.00  0.00           O  
HETATM   20  O   UNL     1      10.499   1.030   1.558  1.00  0.00           O  
HETATM   21  O   UNL     1      10.217  -1.130  -0.296  1.00  0.00           O  
HETATM   22  O   UNL     1      13.779  -0.318  -0.585  1.00  0.00           O  
HETATM   23  O   UNL     1      13.505  -2.450  -2.494  1.00  0.00           O  
HETATM   24  C   UNL     1       7.855  -1.407  -0.727  1.00  0.00           C  
HETATM   25  C   UNL     1       6.558  -0.631  -0.977  1.00  0.00           C  
HETATM   26  C   UNL     1       6.339   0.360   0.171  1.00  0.00           C  
HETATM   27  C   UNL     1       7.556   1.282   0.278  1.00  0.00           C  
HETATM   28  C   UNL     1       7.372   2.235   1.461  1.00  0.00           C  
HETATM   29  C   UNL     1       9.013  -0.416  -0.585  1.00  0.00           C  
HETATM   30  O   UNL     1       8.107  -2.282  -1.828  1.00  0.00           O  
HETATM   31  O   UNL     1       5.459  -1.542  -1.038  1.00  0.00           O  
HETATM   32  O   UNL     1       5.170   1.140  -0.088  1.00  0.00           O  
HETATM   33  O   UNL     1       8.732   0.495   0.479  1.00  0.00           O  
HETATM   34  O   UNL     1       8.451   3.171   1.492  1.00  0.00           O  
HETATM   35  C   UNL     1       2.805   1.545   0.206  1.00  0.00           C  
HETATM   36  C   UNL     1       1.508   0.905   0.710  1.00  0.00           C  
HETATM   37  C   UNL     1       1.296  -0.430  -0.011  1.00  0.00           C  
HETATM   38  C   UNL     1       2.516  -1.326   0.223  1.00  0.00           C  
HETATM   39  C   UNL     1       2.339  -2.639  -0.543  1.00  0.00           C  
HETATM   40  C   UNL     1       3.966   0.572   0.431  1.00  0.00           C  
HETATM   41  O   UNL     1       3.050   2.756   0.924  1.00  0.00           O  
HETATM   42  O   UNL     1       0.408   1.775   0.438  1.00  0.00           O  
HETATM   43  O   UNL     1       0.127  -1.071   0.504  1.00  0.00           O  
HETATM   44  O   UNL     1       3.691  -0.659  -0.240  1.00  0.00           O  
HETATM   45  O   UNL     1       3.419  -3.521  -0.234  1.00  0.00           O  
HETATM   46  C   UNL     1      -2.236  -1.561   0.363  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.531  -1.147  -0.342  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.748   0.357  -0.145  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.529   1.114  -0.677  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.712   2.613  -0.429  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.075  -0.729  -0.188  1.00  0.00           C  
HETATM   52  O   UNL     1      -1.985  -2.948   0.125  1.00  0.00           O  
HETATM   53  O   UNL     1      -4.632  -1.866   0.218  1.00  0.00           O  
HETATM   54  O   UNL     1      -4.916   0.768  -0.859  1.00  0.00           O  
HETATM   55  O   UNL     1      -1.355   0.659  -0.001  1.00  0.00           O  
HETATM   56  O   UNL     1      -1.630   3.330  -1.027  1.00  0.00           O  
HETATM   57  C   UNL     1      -7.280   1.270  -0.912  1.00  0.00           C  
HETATM   58  C   UNL     1      -8.578   1.130  -0.111  1.00  0.00           C  
HETATM   59  C   UNL     1      -8.793  -0.346   0.238  1.00  0.00           C  
HETATM   60  C   UNL     1      -7.576  -0.862   1.010  1.00  0.00           C  
HETATM   61  C   UNL     1      -7.756  -2.351   1.310  1.00  0.00           C  
HETATM   62  C   UNL     1      -6.121   0.692  -0.095  1.00  0.00           C  
HETATM   63  O   UNL     1      -7.032   2.652  -1.181  1.00  0.00           O  
HETATM   64  O   UNL     1      -9.676   1.601  -0.895  1.00  0.00           O  
HETATM   65  O   UNL     1      -9.963  -0.480   1.047  1.00  0.00           O  
HETATM   66  O   UNL     1      -6.399  -0.674   0.222  1.00  0.00           O  
HETATM   67  O   UNL     1      -6.677  -2.806   2.130  1.00  0.00           O  
HETATM   68  C   UNL     1     -12.328  -0.935   1.264  1.00  0.00           C  
HETATM   69  C   UNL     1     -13.622  -1.092   0.461  1.00  0.00           C  
HETATM   70  C   UNL     1     -13.836   0.162  -0.392  1.00  0.00           C  
HETATM   71  C   UNL     1     -12.615   0.372  -1.292  1.00  0.00           C  
HETATM   72  C   UNL     1     -12.794   1.656  -2.104  1.00  0.00           C  
HETATM   73  C   UNL     1     -11.165  -0.683   0.301  1.00  0.00           C  
HETATM   74  O   UNL     1     -12.080  -2.129   2.009  1.00  0.00           O  
HETATM   75  O   UNL     1     -14.724  -1.254   1.356  1.00  0.00           O  
HETATM   76  O   UNL     1     -15.002  -0.003  -1.201  1.00  0.00           O  
HETATM   77  O   UNL     1     -11.442   0.479  -0.483  1.00  0.00           O  
HETATM   78  O   UNL     1     -11.712   1.791  -3.027  1.00  0.00           O  
HETATM   79  C   UNL     1     -17.365   0.341  -1.578  1.00  0.00           C  
HETATM   80  C   UNL     1     -18.664   0.771  -0.889  1.00  0.00           C  
HETATM   81  C   UNL     1     -18.882  -0.098   0.354  1.00  0.00           C  
HETATM   82  C   UNL     1     -17.666   0.028   1.275  1.00  0.00           C  
HETATM   83  C   UNL     1     -17.849  -0.884   2.489  1.00  0.00           C  
HETATM   84  C   UNL     1     -16.208   0.450  -0.582  1.00  0.00           C  
HETATM   85  O   UNL     1     -17.114   1.193  -2.697  1.00  0.00           O  
HETATM   86  O   UNL     1     -19.761   0.603  -1.788  1.00  0.00           O  
HETATM   87  O   UNL     1     -20.053   0.342   1.045  1.00  0.00           O  
HETATM   88  O   UNL     1     -16.489  -0.358   0.563  1.00  0.00           O  
HETATM   89  O   UNL     1     -16.771  -0.681   3.405  1.00  0.00           O  
HETATM   90  H   UNL     1      17.850  -1.580  -1.174  1.00  0.00           H  
HETATM   91  H   UNL     1      16.722   1.245  -1.453  1.00  0.00           H  
HETATM   92  H   UNL     1      16.303  -0.864   0.718  1.00  0.00           H  
HETATM   93  H   UNL     1      17.746   1.826   0.800  1.00  0.00           H  
HETATM   94  H   UNL     1      16.519   1.160   2.889  1.00  0.00           H  
HETATM   95  H   UNL     1      17.451  -0.356   2.912  1.00  0.00           H  
HETATM   96  H   UNL     1      19.222   1.142  -1.005  1.00  0.00           H  
HETATM   97  H   UNL     1      21.084  -0.266  -0.499  1.00  0.00           H  
HETATM   98  H   UNL     1      19.004  -0.889  -3.148  1.00  0.00           H  
HETATM   99  H   UNL     1      15.621  -0.438  -2.744  1.00  0.00           H  
HETATM  100  H   UNL     1      18.490   1.347   4.226  1.00  0.00           H  
HETATM  101  H   UNL     1      12.800   1.893   0.580  1.00  0.00           H  
HETATM  102  H   UNL     1      11.676  -0.644   1.857  1.00  0.00           H  
HETATM  103  H   UNL     1      11.259   0.540  -0.928  1.00  0.00           H  
HETATM  104  H   UNL     1      12.706  -1.996  -0.034  1.00  0.00           H  
HETATM  105  H   UNL     1      11.482  -2.130  -2.224  1.00  0.00           H  
HETATM  106  H   UNL     1      12.412  -0.722  -2.791  1.00  0.00           H  
HETATM  107  H   UNL     1      14.177  -0.704   1.406  1.00  0.00           H  
HETATM  108  H   UNL     1      13.951   1.962   2.672  1.00  0.00           H  
HETATM  109  H   UNL     1      10.569   1.388   2.453  1.00  0.00           H  
HETATM  110  H   UNL     1      13.456  -2.782  -3.401  1.00  0.00           H  
HETATM  111  H   UNL     1       7.759  -1.991   0.188  1.00  0.00           H  
HETATM  112  H   UNL     1       6.634  -0.086  -1.918  1.00  0.00           H  
HETATM  113  H   UNL     1       6.212  -0.188   1.105  1.00  0.00           H  
HETATM  114  H   UNL     1       7.658   1.858  -0.641  1.00  0.00           H  
HETATM  115  H   UNL     1       6.429   2.771   1.352  1.00  0.00           H  
HETATM  116  H   UNL     1       7.360   1.663   2.389  1.00  0.00           H  
HETATM  117  H   UNL     1       9.134   0.138  -1.516  1.00  0.00           H  
HETATM  118  H   UNL     1       8.915  -2.806  -1.737  1.00  0.00           H  
HETATM  119  H   UNL     1       5.532  -2.199  -1.744  1.00  0.00           H  
HETATM  120  H   UNL     1       8.399   3.807   2.217  1.00  0.00           H  
HETATM  121  H   UNL     1       2.713   1.764  -0.858  1.00  0.00           H  
HETATM  122  H   UNL     1       1.578   0.732   1.784  1.00  0.00           H  
HETATM  123  H   UNL     1       1.173  -0.252  -1.079  1.00  0.00           H  
HETATM  124  H   UNL     1       2.613  -1.537   1.288  1.00  0.00           H  
HETATM  125  H   UNL     1       1.396  -3.104  -0.255  1.00  0.00           H  
HETATM  126  H   UNL     1       2.331  -2.436  -1.614  1.00  0.00           H  
HETATM  127  H   UNL     1       4.082   0.386   1.499  1.00  0.00           H  
HETATM  128  H   UNL     1       3.858   3.215   0.656  1.00  0.00           H  
HETATM  129  H   UNL     1       0.476   2.640   0.863  1.00  0.00           H  
HETATM  130  H   UNL     1       3.372  -4.374  -0.685  1.00  0.00           H  
HETATM  131  H   UNL     1      -2.333  -1.388   1.435  1.00  0.00           H  
HETATM  132  H   UNL     1      -3.454  -1.367  -1.406  1.00  0.00           H  
HETATM  133  H   UNL     1      -3.876   0.570   0.917  1.00  0.00           H  
HETATM  134  H   UNL     1      -2.427   0.933  -1.746  1.00  0.00           H  
HETATM  135  H   UNL     1      -3.653   2.942  -0.869  1.00  0.00           H  
HETATM  136  H   UNL     1      -2.726   2.805   0.644  1.00  0.00           H  
HETATM  137  H   UNL     1      -0.954  -0.935  -1.252  1.00  0.00           H  
HETATM  138  H   UNL     1      -1.179  -3.279   0.543  1.00  0.00           H  
HETATM  139  H   UNL     1      -4.560  -2.826   0.129  1.00  0.00           H  
HETATM  140  H   UNL     1      -1.681   4.289  -0.909  1.00  0.00           H  
HETATM  141  H   UNL     1      -7.371   0.726  -1.852  1.00  0.00           H  
HETATM  142  H   UNL     1      -8.506   1.715   0.806  1.00  0.00           H  
HETATM  143  H   UNL     1      -8.916  -0.923  -0.679  1.00  0.00           H  
HETATM  144  H   UNL     1      -7.479  -0.311   1.946  1.00  0.00           H  
HETATM  145  H   UNL     1      -8.700  -2.505   1.834  1.00  0.00           H  
HETATM  146  H   UNL     1      -7.764  -2.912   0.375  1.00  0.00           H  
HETATM  147  H   UNL     1      -6.005   1.263   0.826  1.00  0.00           H  
HETATM  148  H   UNL     1      -6.223   2.815  -1.686  1.00  0.00           H  
HETATM  149  H   UNL     1      -9.606   2.530  -1.153  1.00  0.00           H  
HETATM  150  H   UNL     1      -6.727  -3.744   2.360  1.00  0.00           H  
HETATM  151  H   UNL     1     -12.424  -0.092   1.949  1.00  0.00           H  
HETATM  152  H   UNL     1     -13.545  -1.965  -0.188  1.00  0.00           H  
HETATM  153  H   UNL     1     -13.963   1.028   0.258  1.00  0.00           H  
HETATM  154  H   UNL     1     -12.513  -0.475  -1.970  1.00  0.00           H  
HETATM  155  H   UNL     1     -13.735   1.612  -2.652  1.00  0.00           H  
HETATM  156  H   UNL     1     -12.807   2.513  -1.431  1.00  0.00           H  
HETATM  157  H   UNL     1     -11.044  -1.544  -0.356  1.00  0.00           H  
HETATM  158  H   UNL     1     -11.274  -2.100   2.543  1.00  0.00           H  
HETATM  159  H   UNL     1     -14.655  -2.031   1.928  1.00  0.00           H  
HETATM  160  H   UNL     1     -11.760   2.586  -3.576  1.00  0.00           H  
HETATM  161  H   UNL     1     -17.457  -0.690  -1.918  1.00  0.00           H  
HETATM  162  H   UNL     1     -18.590   1.818  -0.593  1.00  0.00           H  
HETATM  163  H   UNL     1     -19.005  -1.138   0.053  1.00  0.00           H  
HETATM  164  H   UNL     1     -17.567   1.061   1.608  1.00  0.00           H  
HETATM  165  H   UNL     1     -18.793  -0.649   2.981  1.00  0.00           H  
HETATM  166  H   UNL     1     -17.858  -1.925   2.164  1.00  0.00           H  
HETATM  167  H   UNL     1     -16.090   1.489  -0.273  1.00  0.00           H  
HETATM  168  H   UNL     1     -16.303   0.981  -3.179  1.00  0.00           H  
HETATM  169  H   UNL     1     -19.689   1.126  -2.599  1.00  0.00           H  
HETATM  170  H   UNL     1     -20.862   0.294   0.518  1.00  0.00           H  
HETATM  171  H   UNL     1     -16.823  -1.228   4.201  1.00  0.00           H  
CONECT    1    2    8    6   90                                       
CONECT    2    9    3    1   91                                       
CONECT    3   10    2    4   92                                       
CONECT    4    3    5   11   93                                       
CONECT    5    4   12   94   95                                       
CONECT    6    1   11    7   96                                       
CONECT    7    6   97                                                 
CONECT    8    1   98                                                 
CONECT    9    2   99                                                 
CONECT   10   18    3                                                 
CONECT   11    4    6                                                 
CONECT   12    5  100                                                 
CONECT   13   14   18   19  101                                       
CONECT   14   15   20   13  102                                       
CONECT   15   21   16   14  103                                       
CONECT   16   17   15   22  104                                       
CONECT   17   23   16  105  106                                       
CONECT   18   22   13   10  107                                       
CONECT   19   13  108                                                 
CONECT   20   14  109                                                 
CONECT   21   29   15                                                 
CONECT   22   16   18                                                 
CONECT   23   17  110                                                 
CONECT   24   25   30   29  111                                       
CONECT   25   31   26   24  112                                       
CONECT   26   32   25   27  113                                       
CONECT   27   28   26   33  114                                       
CONECT   28   34   27  115  116                                       
CONECT   29   24   33   21  117                                       
CONECT   30   24  118                                                 
CONECT   31   25  119                                                 
CONECT   32   40   26                                                 
CONECT   33   27   29                                                 
CONECT   34   28  120                                                 
CONECT   35   36   40   41  121                                       
CONECT   36   37   42   35  122                                       
CONECT   37   43   38   36  123                                       
CONECT   38   39   37   44  124                                       
CONECT   39   45   38  125  126                                       
CONECT   40   44   35   32  127                                       
CONECT   41   35  128                                                 
CONECT   42   36  129                                                 
CONECT   43   51   37                                                 
CONECT   44   38   40                                                 
CONECT   45   39  130                                                 
CONECT   46   51   47   52  131                                       
CONECT   47   48   46   53  132                                       
CONECT   48   49   54   47  133                                       
CONECT   49   50   55   48  134                                       
CONECT   50   56   49  135  136                                       
CONECT   51   55   43   46  137                                       
CONECT   52   46  138                                                 
CONECT   53   47  139                                                 
CONECT   54   48   62                                                 
CONECT   55   49   51                                                 
CONECT   56   50  140                                                 
CONECT   57   58   62   63  141                                       
CONECT   58   64   59   57  142                                       
CONECT   59   65   58   60  143                                       
CONECT   60   59   61   66  144                                       
CONECT   61   60   67  145  146                                       
CONECT   62   54   57   66  147                                       
CONECT   63   57  148                                                 
CONECT   64   58  149                                                 
CONECT   65   73   59                                                 
CONECT   66   60   62                                                 
CONECT   67   61  150                                                 
CONECT   68   69   74   73  151                                       
CONECT   69   75   70   68  152                                       
CONECT   70   76   69   71  153                                       
CONECT   71   70   72   77  154                                       
CONECT   72   71   78  155  156                                       
CONECT   73   68   77   65  157                                       
CONECT   74   68  158                                                 
CONECT   75   69  159                                                 
CONECT   76   84   70                                                 
CONECT   77   71   73                                                 
CONECT   78   72  160                                                 
CONECT   79   80   85   84  161                                       
CONECT   80   86   81   79  162                                       
CONECT   81   87   80   82  163                                       
CONECT   82   81   83   88  164                                       
CONECT   83   89   82  165  166                                       
CONECT   84   79   88   76  167                                       
CONECT   85   79  168                                                 
CONECT   86   80  169                                                 
CONECT   87   81  170                                                 
CONECT   88   82   84                                                 
CONECT   89   83  171                                                 
CONECT   90    1                                                      
CONECT   91    2                                                      
CONECT   92    3                                                      
CONECT   93    4                                                      
CONECT   94    5                                                      
CONECT   95    5                                                      
CONECT   96    6                                                      
CONECT   97    7                                                      
CONECT   98    8                                                      
CONECT   99    9                                                      
CONECT  100   12                                                      
CONECT  101   13                                                      
CONECT  102   14                                                      
CONECT  103   15                                                      
CONECT  104   16                                                      
CONECT  105   17                                                      
CONECT  106   17                                                      
CONECT  107   18                                                      
CONECT  108   19                                                      
CONECT  109   20                                                      
CONECT  110   23                                                      
CONECT  111   24                                                      
CONECT  112   25                                                      
CONECT  113   26                                                      
CONECT  114   27                                                      
CONECT  115   28                                                      
CONECT  116   28                                                      
CONECT  117   29                                                      
CONECT  118   30                                                      
CONECT  119   31                                                      
CONECT  120   34                                                      
CONECT  121   35                                                      
CONECT  122   36                                                      
CONECT  123   37                                                      
CONECT  124   38                                                      
CONECT  125   39                                                      
CONECT  126   39                                                      
CONECT  127   40                                                      
CONECT  128   41                                                      
CONECT  129   42                                                      
CONECT  130   45                                                      
CONECT  131   46                                                      
CONECT  132   47                                                      
CONECT  133   48                                                      
CONECT  134   49                                                      
CONECT  135   50                                                      
CONECT  136   50                                                      
CONECT  137   51                                                      
CONECT  138   52                                                      
CONECT  139   53                                                      
CONECT  140   56                                                      
CONECT  141   57                                                      
CONECT  142   58                                                      
CONECT  143   59                                                      
CONECT  144   60                                                      
CONECT  145   61                                                      
CONECT  146   61                                                      
CONECT  147   62                                                      
CONECT  148   63                                                      
CONECT  149   64                                                      
CONECT  150   67                                                      
CONECT  151   68                                                      
CONECT  152   69                                                      
CONECT  153   70                                                      
CONECT  154   71                                                      
CONECT  155   72                                                      
CONECT  156   72                                                      
CONECT  157   73                                                      
CONECT  158   74                                                      
CONECT  159   75                                                      
CONECT  160   78                                                      
CONECT  161   79                                                      
CONECT  162   80                                                      
CONECT  163   81                                                      
CONECT  164   82                                                      
CONECT  165   83                                                      
CONECT  166   83                                                      
CONECT  167   84                                                      
CONECT  168   85                                                      
CONECT  169   86                                                      
CONECT  170   87                                                      
CONECT  171   89                                                      
MASTER        0    0    0    0    0    0    0    0  171    0  171    0
END
