COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.044  -3.880   1.377  1.00  0.00           C  
HETATM    2  C   UNL     1       5.739  -4.122  -1.088  1.00  0.00           C  
HETATM    3  C   UNL     1       4.388  -4.787  -0.805  1.00  0.00           C  
HETATM    4  C   UNL     1       3.835  -4.257   0.521  1.00  0.00           C  
HETATM    5  C   UNL     1       2.515  -4.961   0.841  1.00  0.00           C  
HETATM    6  C   UNL     1       6.685  -4.394   0.085  1.00  0.00           C  
HETATM    7  O   UNL     1       4.561  -6.202  -0.719  1.00  0.00           O  
HETATM    8  O   UNL     1       5.859  -2.466   1.288  1.00  0.00           O  
HETATM    9  O   UNL     1       6.296  -4.664  -2.287  1.00  0.00           O  
HETATM   10  C   UNL     1      15.029  16.516  -2.233  1.00  0.00           C  
HETATM   11  C   UNL     1      15.097  14.988  -2.263  1.00  0.00           C  
HETATM   12  C   UNL     1      13.807  14.408  -1.679  1.00  0.00           C  
HETATM   13  C   UNL     1      13.876  12.880  -1.710  1.00  0.00           C  
HETATM   14  C   UNL     1      12.586  12.300  -1.126  1.00  0.00           C  
HETATM   15  C   UNL     1      12.655  10.772  -1.157  1.00  0.00           C  
HETATM   16  C   UNL     1      11.365  10.191  -0.573  1.00  0.00           C  
HETATM   17  C   UNL     1      11.433   8.663  -0.604  1.00  0.00           C  
HETATM   18  C   UNL     1      10.143   8.083  -0.020  1.00  0.00           C  
HETATM   19  C   UNL     1      10.212   6.555  -0.051  1.00  0.00           C  
HETATM   20  C   UNL     1       8.922   5.975   0.533  1.00  0.00           C  
HETATM   21  C   UNL     1       8.991   4.447   0.502  1.00  0.00           C  
HETATM   22  C   UNL     1       7.701   3.867   1.086  1.00  0.00           C  
HETATM   23  C   UNL     1       7.769   2.338   1.055  1.00  0.00           C  
HETATM   24  C   UNL     1       6.479   1.758   1.639  1.00  0.00           C  
HETATM   25  O   UNL     1       5.378   2.104   0.797  1.00  0.00           O  
HETATM   26  C   UNL     1       6.598   0.235   1.723  1.00  0.00           C  
HETATM   27  O   UNL     1       7.700  -0.111   2.565  1.00  0.00           O  
HETATM   28  C   UNL     1       5.308  -0.345   2.307  1.00  0.00           C  
HETATM   29  C   UNL     1       5.477  -1.851   2.520  1.00  0.00           C  
HETATM   30  O   UNL     1       7.924  -3.718  -0.134  1.00  0.00           O  
HETATM   31  O   UNL     1       4.777  -4.515   1.564  1.00  0.00           O  
HETATM   32  O   UNL     1       1.941  -4.385   2.017  1.00  0.00           O  
HETATM   33  C   UNL     1       4.413  -6.883  -1.967  1.00  0.00           C  
HETATM   34  C   UNL     1       4.615  -8.362  -1.760  1.00  0.00           C  
HETATM   35  C   UNL     1       3.536  -9.170  -1.456  1.00  0.00           C  
HETATM   36  C   UNL     1       3.721 -10.527  -1.266  1.00  0.00           C  
HETATM   37  C   UNL     1       4.985 -11.075  -1.380  1.00  0.00           C  
HETATM   38  C   UNL     1       5.187 -12.553  -1.166  1.00  0.00           C  
HETATM   39  F   UNL     1       6.267 -12.992  -1.940  1.00  0.00           F  
HETATM   40  F   UNL     1       5.453 -12.796   0.186  1.00  0.00           F  
HETATM   41  F   UNL     1       4.030 -13.242  -1.546  1.00  0.00           F  
HETATM   42  C   UNL     1       6.064 -10.266  -1.684  1.00  0.00           C  
HETATM   43  C   UNL     1       5.878  -8.910  -1.880  1.00  0.00           C  
HETATM   44  N   UNL     1       4.200  -0.104   1.379  1.00  0.00           N  
HETATM   45  C   UNL     1       2.935  -0.050   1.840  1.00  0.00           C  
HETATM   46  O   UNL     1       2.713  -0.200   3.023  1.00  0.00           O  
HETATM   47  C   UNL     1       1.796   0.199   0.885  1.00  0.00           C  
HETATM   48  C   UNL     1       0.476   0.212   1.659  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.681   0.464   0.690  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.001   0.478   1.464  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.158   0.730   0.495  1.00  0.00           C  
HETATM   52  C   UNL     1      -4.478   0.744   1.269  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.634   0.996   0.300  1.00  0.00           C  
HETATM   54  C   UNL     1      -6.954   1.010   1.074  1.00  0.00           C  
HETATM   55  C   UNL     1      -8.111   1.261   0.105  1.00  0.00           C  
HETATM   56  C   UNL     1      -9.431   1.275   0.879  1.00  0.00           C  
HETATM   57  C   UNL     1     -10.588   1.527  -0.090  1.00  0.00           C  
HETATM   58  C   UNL     1     -11.908   1.541   0.684  1.00  0.00           C  
HETATM   59  C   UNL     1     -13.064   1.793  -0.285  1.00  0.00           C  
HETATM   60  C   UNL     1     -14.384   1.807   0.489  1.00  0.00           C  
HETATM   61  C   UNL     1     -15.541   2.059  -0.481  1.00  0.00           C  
HETATM   62  C   UNL     1     -16.861   2.072   0.293  1.00  0.00           C  
HETATM   63  C   UNL     1     -18.018   2.324  -0.676  1.00  0.00           C  
HETATM   64  C   UNL     1     -19.337   2.338   0.098  1.00  0.00           C  
HETATM   65  C   UNL     1     -20.494   2.590  -0.871  1.00  0.00           C  
HETATM   66  C   UNL     1     -21.814   2.604  -0.097  1.00  0.00           C  
HETATM   67  C   UNL     1     -22.971   2.856  -1.066  1.00  0.00           C  
HETATM   68  C   UNL     1     -24.291   2.870  -0.292  1.00  0.00           C  
HETATM   69  C   UNL     1     -25.448   3.122  -1.261  1.00  0.00           C  
HETATM   70  C   UNL     1     -26.767   3.135  -0.487  1.00  0.00           C  
HETATM   71  C   UNL     1     -27.924   3.387  -1.456  1.00  0.00           C  
HETATM   72  H   UNL     1       6.694  -4.109   2.222  1.00  0.00           H  
HETATM   73  H   UNL     1       5.599  -3.047  -1.203  1.00  0.00           H  
HETATM   74  H   UNL     1       3.691  -4.552  -1.610  1.00  0.00           H  
HETATM   75  H   UNL     1       3.666  -3.184   0.442  1.00  0.00           H  
HETATM   76  H   UNL     1       1.827  -4.839   0.004  1.00  0.00           H  
HETATM   77  H   UNL     1       2.699  -6.022   1.008  1.00  0.00           H  
HETATM   78  H   UNL     1       6.863  -5.466   0.169  1.00  0.00           H  
HETATM   79  H   UNL     1       7.157  -4.293  -2.524  1.00  0.00           H  
HETATM   80  H   UNL     1      14.912  16.854  -1.203  1.00  0.00           H  
HETATM   81  H   UNL     1      15.948  16.930  -2.648  1.00  0.00           H  
HETATM   82  H   UNL     1      14.178  16.854  -2.824  1.00  0.00           H  
HETATM   83  H   UNL     1      15.214  14.651  -3.293  1.00  0.00           H  
HETATM   84  H   UNL     1      15.948  14.651  -1.671  1.00  0.00           H  
HETATM   85  H   UNL     1      13.690  14.746  -0.650  1.00  0.00           H  
HETATM   86  H   UNL     1      12.957  14.746  -2.271  1.00  0.00           H  
HETATM   87  H   UNL     1      13.993  12.542  -2.740  1.00  0.00           H  
HETATM   88  H   UNL     1      14.726  12.542  -1.118  1.00  0.00           H  
HETATM   89  H   UNL     1      12.469  12.638  -0.097  1.00  0.00           H  
HETATM   90  H   UNL     1      11.735  12.637  -1.718  1.00  0.00           H  
HETATM   91  H   UNL     1      12.771  10.434  -2.187  1.00  0.00           H  
HETATM   92  H   UNL     1      13.505  10.434  -0.565  1.00  0.00           H  
HETATM   93  H   UNL     1      11.248  10.529   0.456  1.00  0.00           H  
HETATM   94  H   UNL     1      10.514  10.529  -1.165  1.00  0.00           H  
HETATM   95  H   UNL     1      11.550   8.325  -1.634  1.00  0.00           H  
HETATM   96  H   UNL     1      12.284   8.326  -0.012  1.00  0.00           H  
HETATM   97  H   UNL     1      10.026   8.421   1.009  1.00  0.00           H  
HETATM   98  H   UNL     1       9.293   8.421  -0.612  1.00  0.00           H  
HETATM   99  H   UNL     1      10.329   6.217  -1.081  1.00  0.00           H  
HETATM  100  H   UNL     1      11.063   6.218   0.541  1.00  0.00           H  
HETATM  101  H   UNL     1       8.805   6.313   1.562  1.00  0.00           H  
HETATM  102  H   UNL     1       8.071   6.312  -0.059  1.00  0.00           H  
HETATM  103  H   UNL     1       9.107   4.109  -0.528  1.00  0.00           H  
HETATM  104  H   UNL     1       9.841   4.109   1.094  1.00  0.00           H  
HETATM  105  H   UNL     1       7.584   4.204   2.115  1.00  0.00           H  
HETATM  106  H   UNL     1       6.850   4.204   0.494  1.00  0.00           H  
HETATM  107  H   UNL     1       7.886   2.001   0.025  1.00  0.00           H  
HETATM  108  H   UNL     1       8.620   2.001   1.647  1.00  0.00           H  
HETATM  109  H   UNL     1       6.317   2.166   2.636  1.00  0.00           H  
HETATM  110  H   UNL     1       5.455   1.773  -0.108  1.00  0.00           H  
HETATM  111  H   UNL     1       6.761  -0.173   0.726  1.00  0.00           H  
HETATM  112  H   UNL     1       7.659   0.283   3.447  1.00  0.00           H  
HETATM  113  H   UNL     1       5.093   0.135   3.262  1.00  0.00           H  
HETATM  114  H   UNL     1       4.534  -2.277   2.861  1.00  0.00           H  
HETATM  115  H   UNL     1       6.248  -2.028   3.269  1.00  0.00           H  
HETATM  116  H   UNL     1       8.573  -3.847   0.572  1.00  0.00           H  
HETATM  117  H   UNL     1       1.100  -4.784   2.279  1.00  0.00           H  
HETATM  118  H   UNL     1       3.413  -6.704  -2.363  1.00  0.00           H  
HETATM  119  H   UNL     1       5.155  -6.510  -2.674  1.00  0.00           H  
HETATM  120  H   UNL     1       2.548  -8.742  -1.367  1.00  0.00           H  
HETATM  121  H   UNL     1       2.878 -11.159  -1.028  1.00  0.00           H  
HETATM  122  H   UNL     1       7.051 -10.694  -1.773  1.00  0.00           H  
HETATM  123  H   UNL     1       6.721  -8.279  -2.118  1.00  0.00           H  
HETATM  124  H   UNL     1       4.378   0.017   0.433  1.00  0.00           H  
HETATM  125  H   UNL     1       1.938   1.160   0.392  1.00  0.00           H  
HETATM  126  H   UNL     1       1.770  -0.594   0.137  1.00  0.00           H  
HETATM  127  H   UNL     1       0.334  -0.749   2.153  1.00  0.00           H  
HETATM  128  H   UNL     1       0.502   1.004   2.408  1.00  0.00           H  
HETATM  129  H   UNL     1      -0.539   1.426   0.197  1.00  0.00           H  
HETATM  130  H   UNL     1      -0.707  -0.328  -0.058  1.00  0.00           H  
HETATM  131  H   UNL     1      -2.143  -0.484   1.957  1.00  0.00           H  
HETATM  132  H   UNL     1      -1.975   1.270   2.213  1.00  0.00           H  
HETATM  133  H   UNL     1      -3.016   1.691   0.002  1.00  0.00           H  
HETATM  134  H   UNL     1      -3.184  -0.062  -0.253  1.00  0.00           H  
HETATM  135  H   UNL     1      -4.620  -0.218   1.762  1.00  0.00           H  
HETATM  136  H   UNL     1      -4.452   1.536   2.017  1.00  0.00           H  
HETATM  137  H   UNL     1      -5.492   1.957  -0.193  1.00  0.00           H  
HETATM  138  H   UNL     1      -5.660   0.204  -0.448  1.00  0.00           H  
HETATM  139  H   UNL     1      -7.096   0.048   1.567  1.00  0.00           H  
HETATM  140  H   UNL     1      -6.928   1.801   1.822  1.00  0.00           H  
HETATM  141  H   UNL     1      -7.969   2.223  -0.388  1.00  0.00           H  
HETATM  142  H   UNL     1      -8.137   0.469  -0.643  1.00  0.00           H  
HETATM  143  H   UNL     1      -9.573   0.314   1.372  1.00  0.00           H  
HETATM  144  H   UNL     1      -9.405   2.067   1.627  1.00  0.00           H  
HETATM  145  H   UNL     1     -10.446   2.489  -0.584  1.00  0.00           H  
HETATM  146  H   UNL     1     -10.614   0.735  -0.839  1.00  0.00           H  
HETATM  147  H   UNL     1     -12.050   0.579   1.177  1.00  0.00           H  
HETATM  148  H   UNL     1     -11.882   2.333   1.432  1.00  0.00           H  
HETATM  149  H   UNL     1     -12.922   2.754  -0.779  1.00  0.00           H  
HETATM  150  H   UNL     1     -13.090   1.001  -1.034  1.00  0.00           H  
HETATM  151  H   UNL     1     -14.526   0.845   0.982  1.00  0.00           H  
HETATM  152  H   UNL     1     -14.358   2.599   1.237  1.00  0.00           H  
HETATM  153  H   UNL     1     -15.399   3.020  -0.974  1.00  0.00           H  
HETATM  154  H   UNL     1     -15.567   1.267  -1.229  1.00  0.00           H  
HETATM  155  H   UNL     1     -17.003   1.111   0.787  1.00  0.00           H  
HETATM  156  H   UNL     1     -16.835   2.864   1.042  1.00  0.00           H  
HETATM  157  H   UNL     1     -17.876   3.286  -1.169  1.00  0.00           H  
HETATM  158  H   UNL     1     -18.044   1.532  -1.424  1.00  0.00           H  
HETATM  159  H   UNL     1     -19.479   1.377   0.592  1.00  0.00           H  
HETATM  160  H   UNL     1     -19.311   3.130   0.847  1.00  0.00           H  
HETATM  161  H   UNL     1     -20.352   3.552  -1.364  1.00  0.00           H  
HETATM  162  H   UNL     1     -20.520   1.798  -1.619  1.00  0.00           H  
HETATM  163  H   UNL     1     -21.956   1.642   0.396  1.00  0.00           H  
HETATM  164  H   UNL     1     -21.788   3.396   0.652  1.00  0.00           H  
HETATM  165  H   UNL     1     -22.829   3.817  -1.559  1.00  0.00           H  
HETATM  166  H   UNL     1     -22.997   2.064  -1.814  1.00  0.00           H  
HETATM  167  H   UNL     1     -24.433   1.908   0.201  1.00  0.00           H  
HETATM  168  H   UNL     1     -24.265   3.662   0.456  1.00  0.00           H  
HETATM  169  H   UNL     1     -25.306   4.083  -1.754  1.00  0.00           H  
HETATM  170  H   UNL     1     -25.473   2.329  -2.010  1.00  0.00           H  
HETATM  171  H   UNL     1     -26.909   2.174   0.006  1.00  0.00           H  
HETATM  172  H   UNL     1     -26.741   3.927   0.261  1.00  0.00           H  
HETATM  173  H   UNL     1     -27.782   4.349  -1.949  1.00  0.00           H  
HETATM  174  H   UNL     1     -27.950   2.595  -2.205  1.00  0.00           H  
HETATM  175  H   UNL     1     -28.864   3.397  -0.905  1.00  0.00           H  
CONECT    1    8    6   31   72                                       
CONECT    2    9    6    3   73                                       
CONECT    3    2    4    7   74                                       
CONECT    4    3   31    5   75                                       
CONECT    5    4   32   76   77                                       
CONECT    6   30    2    1   78                                       
CONECT    7    3   33                                                 
CONECT    8   29    1                                                 
CONECT    9    2   79                                                 
CONECT   10   11   80   81   82                                       
CONECT   11   10   12   83   84                                       
CONECT   12   11   13   85   86                                       
CONECT   13   12   14   87   88                                       
CONECT   14   13   15   89   90                                       
CONECT   15   14   16   91   92                                       
CONECT   16   15   17   93   94                                       
CONECT   17   16   18   95   96                                       
CONECT   18   17   19   97   98                                       
CONECT   19   18   20   99  100                                       
CONECT   20   19   21  101  102                                       
CONECT   21   20   22  103  104                                       
CONECT   22   21   23  105  106                                       
CONECT   23   22   24  107  108                                       
CONECT   24   25   23   26  109                                       
CONECT   25   24  110                                                 
CONECT   26   24   27   28  111                                       
CONECT   27   26  112                                                 
CONECT   28   26   44   29  113                                       
CONECT   29   28    8  114  115                                       
CONECT   30    6  116                                                 
CONECT   31    1    4                                                 
CONECT   32    5  117                                                 
CONECT   33   34    7  118  119                                       
CONECT   34   43   43   35   33                                       
CONECT   35   36   36   34  120                                       
CONECT   36   37   35   35  121                                       
CONECT   37   38   42   42   36                                       
CONECT   38   41   39   37   40                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
CONECT   42   37   37   43  122                                       
CONECT   43   42   34   34  123                                       
CONECT   44   28   45  124                                            
CONECT   45   44   47   46   46                                       
CONECT   46   45   45                                                 
CONECT   47   45   48  125  126                                       
CONECT   48   49   47  127  128                                       
CONECT   49   50   48  129  130                                       
CONECT   50   51   49  131  132                                       
CONECT   51   52   50  133  134                                       
CONECT   52   53   51  135  136                                       
CONECT   53   54   52  137  138                                       
CONECT   54   53   55  139  140                                       
CONECT   55   54   56  141  142                                       
CONECT   56   55   57  143  144                                       
CONECT   57   56   58  145  146                                       
CONECT   58   57   59  147  148                                       
CONECT   59   58   60  149  150                                       
CONECT   60   59   61  151  152                                       
CONECT   61   60   62  153  154                                       
CONECT   62   61   63  155  156                                       
CONECT   63   62   64  157  158                                       
CONECT   64   65   63  159  160                                       
CONECT   65   66   64  161  162                                       
CONECT   66   67   65  163  164                                       
CONECT   67   68   66  165  166                                       
CONECT   68   69   67  167  168                                       
CONECT   69   70   68  169  170                                       
CONECT   70   71   69  171  172                                       
CONECT   71   70  173  174  175                                       
CONECT   72    1                                                      
CONECT   73    2                                                      
CONECT   74    3                                                      
CONECT   75    4                                                      
CONECT   76    5                                                      
CONECT   77    5                                                      
CONECT   78    6                                                      
CONECT   79    9                                                      
CONECT   80   10                                                      
CONECT   81   10                                                      
CONECT   82   10                                                      
CONECT   83   11                                                      
CONECT   84   11                                                      
CONECT   85   12                                                      
CONECT   86   12                                                      
CONECT   87   13                                                      
CONECT   88   13                                                      
CONECT   89   14                                                      
CONECT   90   14                                                      
CONECT   91   15                                                      
CONECT   92   15                                                      
CONECT   93   16                                                      
CONECT   94   16                                                      
CONECT   95   17                                                      
CONECT   96   17                                                      
CONECT   97   18                                                      
CONECT   98   18                                                      
CONECT   99   19                                                      
CONECT  100   19                                                      
CONECT  101   20                                                      
CONECT  102   20                                                      
CONECT  103   21                                                      
CONECT  104   21                                                      
CONECT  105   22                                                      
CONECT  106   22                                                      
CONECT  107   23                                                      
CONECT  108   23                                                      
CONECT  109   24                                                      
CONECT  110   25                                                      
CONECT  111   26                                                      
CONECT  112   27                                                      
CONECT  113   28                                                      
CONECT  114   29                                                      
CONECT  115   29                                                      
CONECT  116   30                                                      
CONECT  117   32                                                      
CONECT  118   33                                                      
CONECT  119   33                                                      
CONECT  120   35                                                      
CONECT  121   36                                                      
CONECT  122   42                                                      
CONECT  123   43                                                      
CONECT  124   44                                                      
CONECT  125   47                                                      
CONECT  126   47                                                      
CONECT  127   48                                                      
CONECT  128   48                                                      
CONECT  129   49                                                      
CONECT  130   49                                                      
CONECT  131   50                                                      
CONECT  132   50                                                      
CONECT  133   51                                                      
CONECT  134   51                                                      
CONECT  135   52                                                      
CONECT  136   52                                                      
CONECT  137   53                                                      
CONECT  138   53                                                      
CONECT  139   54                                                      
CONECT  140   54                                                      
CONECT  141   55                                                      
CONECT  142   55                                                      
CONECT  143   56                                                      
CONECT  144   56                                                      
CONECT  145   57                                                      
CONECT  146   57                                                      
CONECT  147   58                                                      
CONECT  148   58                                                      
CONECT  149   59                                                      
CONECT  150   59                                                      
CONECT  151   60                                                      
CONECT  152   60                                                      
CONECT  153   61                                                      
CONECT  154   61                                                      
CONECT  155   62                                                      
CONECT  156   62                                                      
CONECT  157   63                                                      
CONECT  158   63                                                      
CONECT  159   64                                                      
CONECT  160   64                                                      
CONECT  161   65                                                      
CONECT  162   65                                                      
CONECT  163   66                                                      
CONECT  164   66                                                      
CONECT  165   67                                                      
CONECT  166   67                                                      
CONECT  167   68                                                      
CONECT  168   68                                                      
CONECT  169   69                                                      
CONECT  170   69                                                      
CONECT  171   70                                                      
CONECT  172   70                                                      
CONECT  173   71                                                      
CONECT  174   71                                                      
CONECT  175   71                                                      
MASTER        0    0    0    0    0    0    0    0  175    0  175    0
END
