COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.690  -1.084   1.035  1.00  0.00           C  
HETATM    2  O   UNL     1       8.596  -1.736   2.054  1.00  0.00           O  
HETATM    3  C   UNL     1       9.772  -1.401   0.035  1.00  0.00           C  
HETATM    4  N   UNL     1       7.824  -0.080   0.796  1.00  0.00           N  
HETATM    5  C   UNL     1       7.937   0.707  -0.434  1.00  0.00           C  
HETATM    6  C   UNL     1       6.768   0.224   1.766  1.00  0.00           C  
HETATM    7  C   UNL     1       7.095   1.537   2.480  1.00  0.00           C  
HETATM    8  C   UNL     1       8.574   1.549   2.873  1.00  0.00           C  
HETATM    9  C   UNL     1       6.806   2.712   1.545  1.00  0.00           C  
HETATM   10  C   UNL     1       5.450   0.357   1.048  1.00  0.00           C  
HETATM   11  O   UNL     1       5.416   0.349  -0.164  1.00  0.00           O  
HETATM   12  C   UNL     1       2.830   1.688   0.235  1.00  0.00           C  
HETATM   13  N   UNL     1       4.309   0.486   1.753  1.00  0.00           N  
HETATM   14  O   UNL     1       3.629   2.599   0.282  1.00  0.00           O  
HETATM   15  C   UNL     1       2.952   0.528   1.188  1.00  0.00           C  
HETATM   16  C   UNL     1       1.971   0.710   2.365  1.00  0.00           C  
HETATM   17  C   UNL     1       4.214   0.601   3.220  1.00  0.00           C  
HETATM   18  C   UNL     1       2.322   1.001   4.864  1.00  0.00           C  
HETATM   19  C   UNL     1       2.866   1.327   3.472  1.00  0.00           C  
HETATM   20  N   UNL     1       1.831   1.715  -0.670  1.00  0.00           N  
HETATM   21  O   UNL     1      -0.528   2.991  -2.337  1.00  0.00           O  
HETATM   22  O   UNL     1       1.756   0.952  -3.128  1.00  0.00           O  
HETATM   23  C   UNL     1       0.309   3.383  -1.551  1.00  0.00           C  
HETATM   24  C   UNL     1       1.712   2.843  -1.597  1.00  0.00           C  
HETATM   25  C   UNL     1       2.036   2.372  -3.017  1.00  0.00           C  
HETATM   26  C   UNL     1       3.515   2.626  -3.315  1.00  0.00           C  
HETATM   27  C   UNL     1       0.865   0.615  -0.727  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.008   4.320  -0.613  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.409   4.799  -0.635  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.217   3.971   0.330  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.859   2.847   0.612  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.982   4.647  -2.046  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.305   5.409  -2.145  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.060   6.894  -1.869  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.887   5.240  -3.549  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.704   2.499   1.219  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.339   4.482   0.882  1.00  0.00           N  
HETATM   38  O   UNL     1      -5.357   2.521   0.198  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.207   3.784   1.831  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.391   4.699   2.154  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.872   5.817   0.623  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.573   7.195   1.864  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.310   5.865   1.155  1.00  0.00           C  
HETATM   44  N   UNL     1      -4.414   1.310   1.825  1.00  0.00           N  
HETATM   45  C   UNL     1      -4.989   0.111   1.177  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.275  -1.120   1.670  1.00  0.00           C  
HETATM   47  O   UNL     1      -3.602  -1.085   2.678  1.00  0.00           O  
HETATM   48  C   UNL     1      -4.824   0.222  -0.340  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.342   0.396  -0.680  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.557  -0.814  -0.173  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.178   0.512  -2.197  1.00  0.00           C  
HETATM   52  N   UNL     1      -4.406  -2.276   0.956  1.00  0.00           N  
HETATM   53  C   UNL     1      -4.979  -2.294  -0.392  1.00  0.00           C  
HETATM   54  C   UNL     1      -3.934  -3.507   1.622  1.00  0.00           C  
HETATM   55  C   UNL     1      -5.044  -4.559   1.592  1.00  0.00           C  
HETATM   56  C   UNL     1      -6.100  -4.216   2.645  1.00  0.00           C  
HETATM   57  C   UNL     1      -5.693  -4.578   0.207  1.00  0.00           C  
HETATM   58  C   UNL     1      -2.725  -4.033   0.900  1.00  0.00           C  
HETATM   59  O   UNL     1      -1.783  -3.295   0.704  1.00  0.00           O  
HETATM   60  N   UNL     1      -2.667  -5.304   0.469  1.00  0.00           N  
HETATM   61  C   UNL     1      -1.537  -5.904  -0.253  1.00  0.00           C  
HETATM   62  C   UNL     1      -0.937  -4.882  -1.173  1.00  0.00           C  
HETATM   63  O   UNL     1      -1.631  -4.021  -1.669  1.00  0.00           O  
HETATM   64  C   UNL     1      -2.083  -7.108  -1.040  1.00  0.00           C  
HETATM   65  C   UNL     1      -3.390  -7.485  -0.315  1.00  0.00           C  
HETATM   66  C   UNL     1      -3.715  -6.320   0.628  1.00  0.00           C  
HETATM   67  N   UNL     1       0.406  -4.933  -1.448  1.00  0.00           N  
HETATM   68  C   UNL     1       1.100  -6.147  -1.883  1.00  0.00           C  
HETATM   69  C   UNL     1       1.080  -3.623  -1.256  1.00  0.00           C  
HETATM   70  C   UNL     1       1.447  -3.043  -2.599  1.00  0.00           C  
HETATM   71  O   UNL     1       1.197  -3.630  -3.630  1.00  0.00           O  
HETATM   72  C   UNL     1       0.135  -2.665  -0.527  1.00  0.00           C  
HETATM   73  C   UNL     1       0.513  -2.605   0.954  1.00  0.00           C  
HETATM   74  C   UNL     1      -0.391  -1.600   1.670  1.00  0.00           C  
HETATM   75  C   UNL     1       0.334  -3.989   1.582  1.00  0.00           C  
HETATM   76  N   UNL     1       2.074  -1.825  -2.605  1.00  0.00           N  
HETATM   77  C   UNL     1       2.421  -1.280  -3.937  1.00  0.00           C  
HETATM   78  C   UNL     1       2.646   0.204  -3.799  1.00  0.00           C  
HETATM   79  O   UNL     1       3.623   0.717  -4.290  1.00  0.00           O  
HETATM   80  H   UNL     1      10.367  -2.239   0.396  1.00  0.00           H  
HETATM   81  H   UNL     1       9.317  -1.662  -0.921  1.00  0.00           H  
HETATM   82  H   UNL     1      10.413  -0.529  -0.094  1.00  0.00           H  
HETATM   83  H   UNL     1       7.371   0.222  -1.230  1.00  0.00           H  
HETATM   84  H   UNL     1       7.538   1.708  -0.264  1.00  0.00           H  
HETATM   85  H   UNL     1       8.985   0.779  -0.725  1.00  0.00           H  
HETATM   86  H   UNL     1       6.704  -0.582   2.497  1.00  0.00           H  
HETATM   87  H   UNL     1       6.480   1.626   3.376  1.00  0.00           H  
HETATM   88  H   UNL     1       9.189   1.550   1.973  1.00  0.00           H  
HETATM   89  H   UNL     1       8.786   2.443   3.460  1.00  0.00           H  
HETATM   90  H   UNL     1       8.799   0.663   3.467  1.00  0.00           H  
HETATM   91  H   UNL     1       5.778   2.650   1.189  1.00  0.00           H  
HETATM   92  H   UNL     1       6.948   3.649   2.084  1.00  0.00           H  
HETATM   93  H   UNL     1       7.487   2.676   0.694  1.00  0.00           H  
HETATM   94  H   UNL     1       2.739  -0.405   0.666  1.00  0.00           H  
HETATM   95  H   UNL     1       1.166   1.393   2.095  1.00  0.00           H  
HETATM   96  H   UNL     1       1.570  -0.252   2.686  1.00  0.00           H  
HETATM   97  H   UNL     1       4.206  -0.388   3.679  1.00  0.00           H  
HETATM   98  H   UNL     1       5.042   1.194   3.609  1.00  0.00           H  
HETATM   99  H   UNL     1       2.295  -0.081   4.999  1.00  0.00           H  
HETATM  100  H   UNL     1       2.968   1.446   5.621  1.00  0.00           H  
HETATM  101  H   UNL     1       1.314   1.404   4.964  1.00  0.00           H  
HETATM  102  H   UNL     1       2.967   2.404   3.337  1.00  0.00           H  
HETATM  103  H   UNL     1       2.412   3.627  -1.306  1.00  0.00           H  
HETATM  104  H   UNL     1       1.421   2.921  -3.731  1.00  0.00           H  
HETATM  105  H   UNL     1       3.653   2.752  -4.389  1.00  0.00           H  
HETATM  106  H   UNL     1       3.839   3.530  -2.799  1.00  0.00           H  
HETATM  107  H   UNL     1       4.106   1.778  -2.969  1.00  0.00           H  
HETATM  108  H   UNL     1       0.004   0.855  -0.104  1.00  0.00           H  
HETATM  109  H   UNL     1       0.540   0.470  -1.757  1.00  0.00           H  
HETATM  110  H   UNL     1       1.333  -0.299  -0.362  1.00  0.00           H  
HETATM  111  H   UNL     1       0.642   4.651   0.027  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.442   5.847  -0.335  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.275   5.051  -2.770  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.154   3.591  -2.256  1.00  0.00           H  
HETATM  115  H   UNL     1      -4.007   5.014  -1.410  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.431   7.311  -2.655  1.00  0.00           H  
HETATM  117  H   UNL     1      -4.014   7.421  -1.848  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.561   7.007  -0.906  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.061   4.182  -3.746  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.830   5.783  -3.620  1.00  0.00           H  
HETATM  121  H   UNL     1      -3.185   5.635  -4.283  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.649   3.566   2.745  1.00  0.00           H  
HETATM  123  H   UNL     1      -6.330   4.159   2.025  1.00  0.00           H  
HETATM  124  H   UNL     1      -5.310   5.073   3.174  1.00  0.00           H  
HETATM  125  H   UNL     1      -3.264   6.562   1.136  1.00  0.00           H  
HETATM  126  H   UNL     1      -3.868   6.014  -0.449  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.827   7.344   2.645  1.00  0.00           H  
HETATM  128  H   UNL     1      -5.511   8.010   1.143  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.567   7.179   2.310  1.00  0.00           H  
HETATM  130  H   UNL     1      -6.021   5.720   0.342  1.00  0.00           H  
HETATM  131  H   UNL     1      -3.868   1.256   2.625  1.00  0.00           H  
HETATM  132  H   UNL     1      -6.049   0.038   1.422  1.00  0.00           H  
HETATM  133  H   UNL     1      -5.201  -0.684  -0.814  1.00  0.00           H  
HETATM  134  H   UNL     1      -5.384   1.083  -0.705  1.00  0.00           H  
HETATM  135  H   UNL     1      -2.964   1.301  -0.204  1.00  0.00           H  
HETATM  136  H   UNL     1      -1.524  -0.747  -0.515  1.00  0.00           H  
HETATM  137  H   UNL     1      -2.578  -0.831   0.917  1.00  0.00           H  
HETATM  138  H   UNL     1      -3.008  -1.728  -0.559  1.00  0.00           H  
HETATM  139  H   UNL     1      -3.737   1.375  -2.559  1.00  0.00           H  
HETATM  140  H   UNL     1      -2.122   0.636  -2.439  1.00  0.00           H  
HETATM  141  H   UNL     1      -3.556  -0.392  -2.674  1.00  0.00           H  
HETATM  142  H   UNL     1      -4.365  -1.687  -1.057  1.00  0.00           H  
HETATM  143  H   UNL     1      -5.010  -3.319  -0.760  1.00  0.00           H  
HETATM  144  H   UNL     1      -5.991  -1.889  -0.362  1.00  0.00           H  
HETATM  145  H   UNL     1      -3.672  -3.283   2.656  1.00  0.00           H  
HETATM  146  H   UNL     1      -4.621  -5.540   1.809  1.00  0.00           H  
HETATM  147  H   UNL     1      -6.460  -3.201   2.482  1.00  0.00           H  
HETATM  148  H   UNL     1      -6.933  -4.915   2.565  1.00  0.00           H  
HETATM  149  H   UNL     1      -5.659  -4.290   3.639  1.00  0.00           H  
HETATM  150  H   UNL     1      -4.926  -4.730  -0.552  1.00  0.00           H  
HETATM  151  H   UNL     1      -6.420  -5.389   0.157  1.00  0.00           H  
HETATM  152  H   UNL     1      -6.197  -3.628   0.029  1.00  0.00           H  
HETATM  153  H   UNL     1      -0.787  -6.249   0.462  1.00  0.00           H  
HETATM  154  H   UNL     1      -2.288  -6.826  -2.073  1.00  0.00           H  
HETATM  155  H   UNL     1      -1.376  -7.937  -1.006  1.00  0.00           H  
HETATM  156  H   UNL     1      -4.194  -7.617  -1.039  1.00  0.00           H  
HETATM  157  H   UNL     1      -3.249  -8.402   0.257  1.00  0.00           H  
HETATM  158  H   UNL     1      -3.732  -6.674   1.659  1.00  0.00           H  
HETATM  159  H   UNL     1      -4.684  -5.894   0.369  1.00  0.00           H  
HETATM  160  H   UNL     1       0.387  -6.970  -1.947  1.00  0.00           H  
HETATM  161  H   UNL     1       1.548  -5.978  -2.862  1.00  0.00           H  
HETATM  162  H   UNL     1       1.880  -6.397  -1.164  1.00  0.00           H  
HETATM  163  H   UNL     1       1.983  -3.763  -0.662  1.00  0.00           H  
HETATM  164  H   UNL     1       0.219  -1.670  -0.964  1.00  0.00           H  
HETATM  165  H   UNL     1      -0.890  -3.020  -0.627  1.00  0.00           H  
HETATM  166  H   UNL     1       1.552  -2.293   1.052  1.00  0.00           H  
HETATM  167  H   UNL     1      -1.418  -1.967   1.668  1.00  0.00           H  
HETATM  168  H   UNL     1      -0.053  -1.475   2.699  1.00  0.00           H  
HETATM  169  H   UNL     1      -0.348  -0.640   1.155  1.00  0.00           H  
HETATM  170  H   UNL     1       1.250  -4.566   1.455  1.00  0.00           H  
HETATM  171  H   UNL     1       0.118  -3.880   2.645  1.00  0.00           H  
HETATM  172  H   UNL     1      -0.492  -4.506   1.094  1.00  0.00           H  
HETATM  173  H   UNL     1       2.278  -1.347  -1.786  1.00  0.00           H  
HETATM  174  H   UNL     1       3.330  -1.757  -4.303  1.00  0.00           H  
HETATM  175  H   UNL     1       1.603  -1.464  -4.634  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   80   81   82                                       
CONECT    4    5    6    1                                            
CONECT    5    4   83   84   85                                       
CONECT    6    4    7   10   86                                       
CONECT    7    6    8    9   87                                       
CONECT    8    7   88   89   90                                       
CONECT    9    7   91   92   93                                       
CONECT   10    6   11   11   13                                       
CONECT   11   10   10                                                 
CONECT   12   14   14   15   20                                       
CONECT   13   15   17   10                                            
CONECT   14   12   12                                                 
CONECT   15   12   13   16   94                                       
CONECT   16   15   19   95   96                                       
CONECT   17   13   19   97   98                                       
CONECT   18   19   99  100  101                                       
CONECT   19   16   17   18  102                                       
CONECT   20   27   24   12                                            
CONECT   21   23   23                                                 
CONECT   22   25   78                                                 
CONECT   23   21   21   24   28                                       
CONECT   24   20   23   25  103                                       
CONECT   25   22   24   26  104                                       
CONECT   26   25  105  106  107                                       
CONECT   27   20  108  109  110                                       
CONECT   28   29  111   23                                            
CONECT   29   28   30   32  112                                       
CONECT   30   29   31   31   37                                       
CONECT   31   30   30                                                 
CONECT   32   29   33  113  114                                       
CONECT   33   32   34   35  115                                       
CONECT   34   33  116  117  118                                       
CONECT   35   33  119  120  121                                       
CONECT   36   38   38   39   44                                       
CONECT   37   39   41   30                                            
CONECT   38   36   36                                                 
CONECT   39   36   37   40  122                                       
CONECT   40   39   43  123  124                                       
CONECT   41   37   43  125  126                                       
CONECT   42   43  127  128  129                                       
CONECT   43   40   41   42  130                                       
CONECT   44   45  131   36                                            
CONECT   45   44   46   48  132                                       
CONECT   46   45   47   47   52                                       
CONECT   47   46   46                                                 
CONECT   48   45   49  133  134                                       
CONECT   49   48   50   51  135                                       
CONECT   50   49  136  137  138                                       
CONECT   51   49  139  140  141                                       
CONECT   52   53   54   46                                            
CONECT   53   52  142  143  144                                       
CONECT   54   52   55   58  145                                       
CONECT   55   54   56   57  146                                       
CONECT   56   55  147  148  149                                       
CONECT   57   55  150  151  152                                       
CONECT   58   54   59   59   60                                       
CONECT   59   58   58                                                 
CONECT   60   61   66   58                                            
CONECT   61   60   62   64  153                                       
CONECT   62   61   63   63   67                                       
CONECT   63   62   62                                                 
CONECT   64   61   65  154  155                                       
CONECT   65   64   66  156  157                                       
CONECT   66   60   65  158  159                                       
CONECT   67   68   69   62                                            
CONECT   68   67  160  161  162                                       
CONECT   69   67   70   72  163                                       
CONECT   70   69   71   71   76                                       
CONECT   71   70   70                                                 
CONECT   72   69   73  164  165                                       
CONECT   73   72   74   75  166                                       
CONECT   74   73  167  168  169                                       
CONECT   75   73  170  171  172                                       
CONECT   76   77  173   70                                            
CONECT   77   76   78  174  175                                       
CONECT   78   77   79   79   22                                       
CONECT   79   78   78                                                 
CONECT   80    3                                                      
CONECT   81    3                                                      
CONECT   82    3                                                      
CONECT   83    5                                                      
CONECT   84    5                                                      
CONECT   85    5                                                      
CONECT   86    6                                                      
CONECT   87    7                                                      
CONECT   88    8                                                      
CONECT   89    8                                                      
CONECT   90    8                                                      
CONECT   91    9                                                      
CONECT   92    9                                                      
CONECT   93    9                                                      
CONECT   94   15                                                      
CONECT   95   16                                                      
CONECT   96   16                                                      
CONECT   97   17                                                      
CONECT   98   17                                                      
CONECT   99   18                                                      
CONECT  100   18                                                      
CONECT  101   18                                                      
CONECT  102   19                                                      
CONECT  103   24                                                      
CONECT  104   25                                                      
CONECT  105   26                                                      
CONECT  106   26                                                      
CONECT  107   26                                                      
CONECT  108   27                                                      
CONECT  109   27                                                      
CONECT  110   27                                                      
CONECT  111   28                                                      
CONECT  112   29                                                      
CONECT  113   32                                                      
CONECT  114   32                                                      
CONECT  115   33                                                      
CONECT  116   34                                                      
CONECT  117   34                                                      
CONECT  118   34                                                      
CONECT  119   35                                                      
CONECT  120   35                                                      
CONECT  121   35                                                      
CONECT  122   39                                                      
CONECT  123   40                                                      
CONECT  124   40                                                      
CONECT  125   41                                                      
CONECT  126   41                                                      
CONECT  127   42                                                      
CONECT  128   42                                                      
CONECT  129   42                                                      
CONECT  130   43                                                      
CONECT  131   44                                                      
CONECT  132   45                                                      
CONECT  133   48                                                      
CONECT  134   48                                                      
CONECT  135   49                                                      
CONECT  136   50                                                      
CONECT  137   50                                                      
CONECT  138   50                                                      
CONECT  139   51                                                      
CONECT  140   51                                                      
CONECT  141   51                                                      
CONECT  142   53                                                      
CONECT  143   53                                                      
CONECT  144   53                                                      
CONECT  145   54                                                      
CONECT  146   55                                                      
CONECT  147   56                                                      
CONECT  148   56                                                      
CONECT  149   56                                                      
CONECT  150   57                                                      
CONECT  151   57                                                      
CONECT  152   57                                                      
CONECT  153   61                                                      
CONECT  154   64                                                      
CONECT  155   64                                                      
CONECT  156   65                                                      
CONECT  157   65                                                      
CONECT  158   66                                                      
CONECT  159   66                                                      
CONECT  160   68                                                      
CONECT  161   68                                                      
CONECT  162   68                                                      
CONECT  163   69                                                      
CONECT  164   72                                                      
CONECT  165   72                                                      
CONECT  166   73                                                      
CONECT  167   74                                                      
CONECT  168   74                                                      
CONECT  169   74                                                      
CONECT  170   75                                                      
CONECT  171   75                                                      
CONECT  172   75                                                      
CONECT  173   76                                                      
CONECT  174   77                                                      
CONECT  175   77                                                      
MASTER        0    0    0    0    0    0    0    0  175    0  175    0
END
