COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.032  -3.024   2.663  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.431  -2.691   1.296  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.590  -1.446   1.406  1.00  0.00           C  
HETATM    4  O   UNL     1      -8.483  -0.881   2.468  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.891  -0.909   0.203  1.00  0.00           C  
HETATM    6  O   UNL     1      -7.953  -1.506  -0.852  1.00  0.00           O  
HETATM    7  N   UNL     1      -7.190   0.238   0.287  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.009   0.893   1.586  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.609   0.832  -0.919  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.261   2.190  -1.185  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.778   2.016  -1.289  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.936   3.146  -0.035  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.126   1.017  -0.725  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.657   1.019   0.394  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.419   2.410  -0.895  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.853   1.253  -1.757  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.368   1.467  -3.206  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.617   2.069  -3.904  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.766   1.312  -3.192  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.606   1.765  -5.404  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.782   2.476  -6.076  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.321   1.179  -1.793  1.00  0.00           N  
HETATM   23  O   UNL     1      -3.221   3.260  -0.572  1.00  0.00           O  
HETATM   24  N   UNL     1      -1.139   2.500  -0.482  1.00  0.00           N  
HETATM   25  O   UNL     1       1.256   2.586   1.147  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.979   2.115   1.867  1.00  0.00           O  
HETATM   27  C   UNL     1       0.770   3.549   0.592  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.727   3.599   0.395  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.420   3.449   1.753  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.545   4.482   1.860  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.159   1.499  -0.910  1.00  0.00           C  
HETATM   32  N   UNL     1       1.515   4.593   0.134  1.00  0.00           N  
HETATM   33  C   UNL     1       2.976   4.571   0.333  1.00  0.00           C  
HETATM   34  C   UNL     1       3.573   3.394  -0.383  1.00  0.00           C  
HETATM   35  O   UNL     1       2.893   2.425  -0.656  1.00  0.00           O  
HETATM   36  C   UNL     1       3.311   4.519   1.826  1.00  0.00           C  
HETATM   37  C   UNL     1       2.783   5.781   2.510  1.00  0.00           C  
HETATM   38  C   UNL     1       3.018   5.679   4.019  1.00  0.00           C  
HETATM   39  C   UNL     1       3.519   7.005   1.961  1.00  0.00           C  
HETATM   40  C   UNL     1       5.229   0.974  -0.672  1.00  0.00           C  
HETATM   41  N   UNL     1       4.871   3.391  -0.751  1.00  0.00           N  
HETATM   42  O   UNL     1       4.861   1.005   0.480  1.00  0.00           O  
HETATM   43  C   UNL     1       5.580   2.269  -1.371  1.00  0.00           C  
HETATM   44  C   UNL     1       7.082   2.528  -1.232  1.00  0.00           C  
HETATM   45  C   UNL     1       5.797   4.518  -0.624  1.00  0.00           C  
HETATM   46  C   UNL     1       8.071   4.804  -1.651  1.00  0.00           C  
HETATM   47  C   UNL     1       7.226   3.959  -0.696  1.00  0.00           C  
HETATM   48  N   UNL     1       5.358  -0.188  -1.381  1.00  0.00           N  
HETATM   49  C   UNL     1       5.497  -1.445  -0.618  1.00  0.00           C  
HETATM   50  C   UNL     1       4.195  -1.810   0.050  1.00  0.00           C  
HETATM   51  O   UNL     1       3.421  -0.933   0.339  1.00  0.00           O  
HETATM   52  C   UNL     1       6.600  -1.306   0.432  1.00  0.00           C  
HETATM   53  C   UNL     1       7.948  -1.115  -0.267  1.00  0.00           C  
HETATM   54  C   UNL     1       9.051  -0.975   0.783  1.00  0.00           C  
HETATM   55  C   UNL     1       9.182  -2.285   1.563  1.00  0.00           C  
HETATM   56  C   UNL     1      10.378  -0.660   0.090  1.00  0.00           C  
HETATM   57  N   UNL     1       3.936  -3.119   0.319  1.00  0.00           N  
HETATM   58  C   UNL     1       4.035  -3.698   1.655  1.00  0.00           C  
HETATM   59  C   UNL     1       3.516  -3.927  -0.849  1.00  0.00           C  
HETATM   60  C   UNL     1       4.440  -5.121  -1.041  1.00  0.00           C  
HETATM   61  C   UNL     1       3.980  -5.933  -2.254  1.00  0.00           C  
HETATM   62  C   UNL     1       5.870  -4.628  -1.271  1.00  0.00           C  
HETATM   63  C   UNL     1       2.084  -4.324  -0.729  1.00  0.00           C  
HETATM   64  O   UNL     1       1.270  -3.673  -1.383  1.00  0.00           O  
HETATM   65  N   UNL     1       1.582  -5.329   0.005  1.00  0.00           N  
HETATM   66  C   UNL     1       0.151  -5.443   0.354  1.00  0.00           C  
HETATM   67  C   UNL     1      -0.404  -4.087   0.693  1.00  0.00           C  
HETATM   68  O   UNL     1       0.327  -3.260   1.202  1.00  0.00           O  
HETATM   69  C   UNL     1       0.042  -6.402   1.545  1.00  0.00           C  
HETATM   70  C   UNL     1       1.280  -7.304   1.404  1.00  0.00           C  
HETATM   71  C   UNL     1       2.276  -6.498   0.549  1.00  0.00           C  
HETATM   72  N   UNL     1      -1.727  -3.820   0.460  1.00  0.00           N  
HETATM   73  C   UNL     1      -2.736  -4.868   0.237  1.00  0.00           C  
HETATM   74  C   UNL     1      -2.078  -2.379   0.413  1.00  0.00           C  
HETATM   75  C   UNL     1      -1.974  -1.724   1.760  1.00  0.00           C  
HETATM   76  O   UNL     1      -1.380  -2.240   2.680  1.00  0.00           O  
HETATM   77  C   UNL     1      -1.211  -1.642  -0.605  1.00  0.00           C  
HETATM   78  C   UNL     1      -1.693  -1.972  -2.019  1.00  0.00           C  
HETATM   79  C   UNL     1      -0.887  -1.159  -3.035  1.00  0.00           C  
HETATM   80  C   UNL     1      -1.497  -3.465  -2.290  1.00  0.00           C  
HETATM   81  N   UNL     1      -2.599  -0.512   1.904  1.00  0.00           N  
HETATM   82  C   UNL     1      -2.504   0.127   3.232  1.00  0.00           C  
HETATM   83  C   UNL     1      -1.934   1.513   3.064  1.00  0.00           C  
HETATM   84  O   UNL     1      -1.438   2.073   4.012  1.00  0.00           O  
HETATM   85  H   UNL     1     -10.654  -2.194   2.997  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.640  -3.925   2.583  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.230  -3.189   3.382  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.808  -3.521   0.961  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.233  -2.526   0.576  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.891   0.135   2.361  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.119   1.521   1.554  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.881   1.508   1.807  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.784   0.172  -1.769  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.877   2.602  -2.118  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.242   2.984  -1.479  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.009   1.335  -2.109  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.161   1.605  -0.356  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.857   3.296   0.019  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.428   4.103  -0.208  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.290   2.719   0.903  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.445   0.321  -1.363  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.535   2.169  -3.234  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.090   0.518  -3.664  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.685   3.142  -3.725  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.689   1.889  -3.243  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.908   0.329  -3.641  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.671   2.117  -5.839  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.697   0.689  -5.557  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.775   2.260  -7.144  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.717   2.124  -5.641  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.692   3.552  -5.923  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.000   4.552  -0.055  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.695   3.612   2.549  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.043   4.378   2.824  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.126   5.485   1.774  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.266   4.319   1.059  1.00  0.00           H  
HETATM  117  H   UNL     1       0.368   1.861  -1.793  1.00  0.00           H  
HETATM  118  H   UNL     1       0.557   1.324  -0.107  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.672   0.567  -1.150  1.00  0.00           H  
HETATM  120  H   UNL     1       1.079   5.344  -0.321  1.00  0.00           H  
HETATM  121  H   UNL     1       3.410   5.494  -0.078  1.00  0.00           H  
HETATM  122  H   UNL     1       2.844   3.641   2.272  1.00  0.00           H  
HETATM  123  H   UNL     1       4.391   4.461   1.954  1.00  0.00           H  
HETATM  124  H   UNL     1       1.715   5.881   2.315  1.00  0.00           H  
HETATM  125  H   UNL     1       2.723   6.614   4.496  1.00  0.00           H  
HETATM  126  H   UNL     1       2.424   4.861   4.424  1.00  0.00           H  
HETATM  127  H   UNL     1       4.075   5.491   4.210  1.00  0.00           H  
HETATM  128  H   UNL     1       3.351   7.078   0.886  1.00  0.00           H  
HETATM  129  H   UNL     1       3.143   7.904   2.449  1.00  0.00           H  
HETATM  130  H   UNL     1       4.587   6.905   2.156  1.00  0.00           H  
HETATM  131  H   UNL     1       5.307   2.205  -2.423  1.00  0.00           H  
HETATM  132  H   UNL     1       7.518   1.821  -0.524  1.00  0.00           H  
HETATM  133  H   UNL     1       7.569   2.435  -2.201  1.00  0.00           H  
HETATM  134  H   UNL     1       5.633   5.206  -1.457  1.00  0.00           H  
HETATM  135  H   UNL     1       5.645   5.031   0.322  1.00  0.00           H  
HETATM  136  H   UNL     1       7.590   4.838  -2.629  1.00  0.00           H  
HETATM  137  H   UNL     1       8.163   5.816  -1.257  1.00  0.00           H  
HETATM  138  H   UNL     1       9.061   4.361  -1.749  1.00  0.00           H  
HETATM  139  H   UNL     1       7.671   3.942   0.299  1.00  0.00           H  
HETATM  140  H   UNL     1       5.383  -0.187  -2.358  1.00  0.00           H  
HETATM  141  H   UNL     1       5.770  -2.247  -1.311  1.00  0.00           H  
HETATM  142  H   UNL     1       6.393  -0.442   1.064  1.00  0.00           H  
HETATM  143  H   UNL     1       6.634  -2.206   1.046  1.00  0.00           H  
HETATM  144  H   UNL     1       8.155  -1.978  -0.899  1.00  0.00           H  
HETATM  145  H   UNL     1       7.914  -0.214  -0.881  1.00  0.00           H  
HETATM  146  H   UNL     1       8.799  -0.167   1.470  1.00  0.00           H  
HETATM  147  H   UNL     1       9.434  -3.093   0.877  1.00  0.00           H  
HETATM  148  H   UNL     1       9.968  -2.185   2.312  1.00  0.00           H  
HETATM  149  H   UNL     1       8.237  -2.509   2.057  1.00  0.00           H  
HETATM  150  H   UNL     1      10.285   0.273  -0.466  1.00  0.00           H  
HETATM  151  H   UNL     1      11.165  -0.560   0.838  1.00  0.00           H  
HETATM  152  H   UNL     1      10.630  -1.468  -0.597  1.00  0.00           H  
HETATM  153  H   UNL     1       4.339  -2.928   2.363  1.00  0.00           H  
HETATM  154  H   UNL     1       3.065  -4.100   1.949  1.00  0.00           H  
HETATM  155  H   UNL     1       4.774  -4.500   1.650  1.00  0.00           H  
HETATM  156  H   UNL     1       3.610  -3.279  -1.740  1.00  0.00           H  
HETATM  157  H   UNL     1       4.411  -5.750  -0.152  1.00  0.00           H  
HETATM  158  H   UNL     1       4.008  -5.304  -3.144  1.00  0.00           H  
HETATM  159  H   UNL     1       4.641  -6.788  -2.392  1.00  0.00           H  
HETATM  160  H   UNL     1       2.961  -6.284  -2.090  1.00  0.00           H  
HETATM  161  H   UNL     1       6.198  -4.050  -0.407  1.00  0.00           H  
HETATM  162  H   UNL     1       6.532  -5.483  -1.409  1.00  0.00           H  
HETATM  163  H   UNL     1       5.899  -3.999  -2.161  1.00  0.00           H  
HETATM  164  H   UNL     1      -0.376  -5.869  -0.501  1.00  0.00           H  
HETATM  165  H   UNL     1       0.075  -5.851   2.484  1.00  0.00           H  
HETATM  166  H   UNL     1      -0.868  -6.996   1.478  1.00  0.00           H  
HETATM  167  H   UNL     1       1.709  -7.513   2.382  1.00  0.00           H  
HETATM  168  H   UNL     1       1.015  -8.229   0.893  1.00  0.00           H  
HETATM  169  H   UNL     1       2.628  -7.128  -0.272  1.00  0.00           H  
HETATM  170  H   UNL     1       3.115  -6.193   1.169  1.00  0.00           H  
HETATM  171  H   UNL     1      -2.261  -5.847   0.289  1.00  0.00           H  
HETATM  172  H   UNL     1      -3.508  -4.798   1.003  1.00  0.00           H  
HETATM  173  H   UNL     1      -3.187  -4.735  -0.746  1.00  0.00           H  
HETATM  174  H   UNL     1      -3.128  -2.303   0.084  1.00  0.00           H  
HETATM  175  H   UNL     1      -1.287  -0.568  -0.437  1.00  0.00           H  
HETATM  176  H   UNL     1      -0.173  -1.955  -0.493  1.00  0.00           H  
HETATM  177  H   UNL     1      -2.750  -1.722  -2.111  1.00  0.00           H  
HETATM  178  H   UNL     1       0.147  -1.505  -3.039  1.00  0.00           H  
HETATM  179  H   UNL     1      -1.317  -1.289  -4.028  1.00  0.00           H  
HETATM  180  H   UNL     1      -0.916  -0.104  -2.761  1.00  0.00           H  
HETATM  181  H   UNL     1      -0.431  -3.694  -2.306  1.00  0.00           H  
HETATM  182  H   UNL     1      -1.981  -4.043  -1.503  1.00  0.00           H  
HETATM  183  H   UNL     1      -1.938  -3.721  -3.253  1.00  0.00           H  
HETATM  184  H   UNL     1      -3.084  -0.100   1.170  1.00  0.00           H  
HETATM  185  H   UNL     1      -3.498   0.198   3.676  1.00  0.00           H  
HETATM  186  H   UNL     1      -1.854  -0.458   3.881  1.00  0.00           H  
CONECT    1    2   85   86   87                                       
CONECT    2    1    3   88   89                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    8    9    5                                            
CONECT    8    7   90   91   92                                       
CONECT    9    7   10   13   93                                       
CONECT   10    9   11   12   94                                       
CONECT   11   10   95   96   97                                       
CONECT   12   10   98   99  100                                       
CONECT   13    9   14   14   22                                       
CONECT   14   13   13                                                 
CONECT   15   16   23   23   24                                       
CONECT   16   22   17   15  101                                       
CONECT   17   16   18  102  103                                       
CONECT   18   17   19   20  104                                       
CONECT   19   22   18  105  106                                       
CONECT   20   18   21  107  108                                       
CONECT   21   20  109  110  111                                       
CONECT   22   16   19   13                                            
CONECT   23   15   15                                                 
CONECT   24   31   28   15                                            
CONECT   25   27   27                                                 
CONECT   26   29   83                                                 
CONECT   27   25   25   28   32                                       
CONECT   28   24   27   29  112                                       
CONECT   29   26   28   30  113                                       
CONECT   30   29  114  115  116                                       
CONECT   31   24  117  118  119                                       
CONECT   32   33  120   27                                            
CONECT   33   32   34   36  121                                       
CONECT   34   33   35   35   41                                       
CONECT   35   34   34                                                 
CONECT   36   33   37  122  123                                       
CONECT   37   36   38   39  124                                       
CONECT   38   37  125  126  127                                       
CONECT   39   37  128  129  130                                       
CONECT   40   42   42   43   48                                       
CONECT   41   43   45   34                                            
CONECT   42   40   40                                                 
CONECT   43   40   41   44  131                                       
CONECT   44   43   47  132  133                                       
CONECT   45   41   47  134  135                                       
CONECT   46   47  136  137  138                                       
CONECT   47   44   45   46  139                                       
CONECT   48   49  140   40                                            
CONECT   49   50   52   48  141                                       
CONECT   50   51   51   49   57                                       
CONECT   51   50   50                                                 
CONECT   52   49   53  142  143                                       
CONECT   53   52   54  144  145                                       
CONECT   54   53   56   55  146                                       
CONECT   55   54  147  148  149                                       
CONECT   56   54  150  151  152                                       
CONECT   57   58   59   50                                            
CONECT   58   57  153  154  155                                       
CONECT   59   57   60   63  156                                       
CONECT   60   59   61   62  157                                       
CONECT   61   60  158  159  160                                       
CONECT   62   60  161  162  163                                       
CONECT   63   59   64   64   65                                       
CONECT   64   63   63                                                 
CONECT   65   66   71   63                                            
CONECT   66   65   67   69  164                                       
CONECT   67   66   68   68   72                                       
CONECT   68   67   67                                                 
CONECT   69   66   70  165  166                                       
CONECT   70   69   71  167  168                                       
CONECT   71   65   70  169  170                                       
CONECT   72   73   74   67                                            
CONECT   73   72  171  172  173                                       
CONECT   74   72   75   77  174                                       
CONECT   75   74   76   76   81                                       
CONECT   76   75   75                                                 
CONECT   77   74   78  175  176                                       
CONECT   78   77   79   80  177                                       
CONECT   79   78  178  179  180                                       
CONECT   80   78  181  182  183                                       
CONECT   81   82  184   75                                            
CONECT   82   81   83  185  186                                       
CONECT   83   82   84   84   26                                       
CONECT   84   83   83                                                 
CONECT   85    1                                                      
CONECT   86    1                                                      
CONECT   87    1                                                      
CONECT   88    2                                                      
CONECT   89    2                                                      
CONECT   90    8                                                      
CONECT   91    8                                                      
CONECT   92    8                                                      
CONECT   93    9                                                      
CONECT   94   10                                                      
CONECT   95   11                                                      
CONECT   96   11                                                      
CONECT   97   11                                                      
CONECT   98   12                                                      
CONECT   99   12                                                      
CONECT  100   12                                                      
CONECT  101   16                                                      
CONECT  102   17                                                      
CONECT  103   17                                                      
CONECT  104   18                                                      
CONECT  105   19                                                      
CONECT  106   19                                                      
CONECT  107   20                                                      
CONECT  108   20                                                      
CONECT  109   21                                                      
CONECT  110   21                                                      
CONECT  111   21                                                      
CONECT  112   28                                                      
CONECT  113   29                                                      
CONECT  114   30                                                      
CONECT  115   30                                                      
CONECT  116   30                                                      
CONECT  117   31                                                      
CONECT  118   31                                                      
CONECT  119   31                                                      
CONECT  120   32                                                      
CONECT  121   33                                                      
CONECT  122   36                                                      
CONECT  123   36                                                      
CONECT  124   37                                                      
CONECT  125   38                                                      
CONECT  126   38                                                      
CONECT  127   38                                                      
CONECT  128   39                                                      
CONECT  129   39                                                      
CONECT  130   39                                                      
CONECT  131   43                                                      
CONECT  132   44                                                      
CONECT  133   44                                                      
CONECT  134   45                                                      
CONECT  135   45                                                      
CONECT  136   46                                                      
CONECT  137   46                                                      
CONECT  138   46                                                      
CONECT  139   47                                                      
CONECT  140   48                                                      
CONECT  141   49                                                      
CONECT  142   52                                                      
CONECT  143   52                                                      
CONECT  144   53                                                      
CONECT  145   53                                                      
CONECT  146   54                                                      
CONECT  147   55                                                      
CONECT  148   55                                                      
CONECT  149   55                                                      
CONECT  150   56                                                      
CONECT  151   56                                                      
CONECT  152   56                                                      
CONECT  153   58                                                      
CONECT  154   58                                                      
CONECT  155   58                                                      
CONECT  156   59                                                      
CONECT  157   60                                                      
CONECT  158   61                                                      
CONECT  159   61                                                      
CONECT  160   61                                                      
CONECT  161   62                                                      
CONECT  162   62                                                      
CONECT  163   62                                                      
CONECT  164   66                                                      
CONECT  165   69                                                      
CONECT  166   69                                                      
CONECT  167   70                                                      
CONECT  168   70                                                      
CONECT  169   71                                                      
CONECT  170   71                                                      
CONECT  171   73                                                      
CONECT  172   73                                                      
CONECT  173   73                                                      
CONECT  174   74                                                      
CONECT  175   77                                                      
CONECT  176   77                                                      
CONECT  177   78                                                      
CONECT  178   79                                                      
CONECT  179   79                                                      
CONECT  180   79                                                      
CONECT  181   80                                                      
CONECT  182   80                                                      
CONECT  183   80                                                      
CONECT  184   81                                                      
CONECT  185   82                                                      
CONECT  186   82                                                      
MASTER        0    0    0    0    0    0    0    0  186    0  186    0
END
