COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.304  -0.108   2.144  1.00  0.00           C  
HETATM    2  C   UNL     1       3.669   0.259   3.460  1.00  0.00           C  
HETATM    3  C   UNL     1       4.614  -0.114   4.604  1.00  0.00           C  
HETATM    4  C   UNL     1       3.969   0.259   5.941  1.00  0.00           C  
HETATM    5  C   UNL     1       4.914  -0.114   7.085  1.00  0.00           C  
HETATM    6  C   UNL     1       4.270   0.258   8.421  1.00  0.00           C  
HETATM    7  C   UNL     1       5.215  -0.114   9.565  1.00  0.00           C  
HETATM    8  C   UNL     1       4.571   0.258  10.901  1.00  0.00           C  
HETATM    9  C   UNL     1       5.515  -0.115  12.045  1.00  0.00           C  
HETATM   10  O   UNL     1       5.399  -0.617   2.123  1.00  0.00           O  
HETATM   11  C   UNL     1       1.062  -0.029  -0.558  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.236  -0.776  -0.400  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.204   0.055   0.443  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.523  -0.702   0.602  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.491   0.129   1.446  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.810  -0.628   1.606  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.778   0.203   2.450  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.097  -0.555   2.610  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.064   0.276   3.454  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.384  -0.481   3.613  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.351   0.350   4.457  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.670  -0.408   4.617  1.00  0.00           C  
HETATM   23  C   UNL     1     -12.638   0.424   5.461  1.00  0.00           C  
HETATM   24  C   UNL     1     -13.957  -0.334   5.621  1.00  0.00           C  
HETATM   25  O   UNL     1       1.200   1.057  -0.047  1.00  0.00           O  
HETATM   26  O   UNL     1       3.652   0.129   0.995  1.00  0.00           O  
HETATM   27  C   UNL     1       4.263  -0.224  -0.273  1.00  0.00           C  
HETATM   28  C   UNL     1       3.318   0.149  -1.416  1.00  0.00           C  
HETATM   29  O   UNL     1       2.066  -0.570  -1.265  1.00  0.00           O  
HETATM   30  C   UNL     1       3.963  -0.224  -2.753  1.00  0.00           C  
HETATM   31  O   UNL     1       3.066   0.130  -3.838  1.00  0.00           O  
HETATM   32  C   UNL     1       3.425  -0.107  -5.110  1.00  0.00           C  
HETATM   33  C   UNL     1       2.494   0.261  -6.237  1.00  0.00           C  
HETATM   34  C   UNL     1       3.138  -0.112  -7.573  1.00  0.00           C  
HETATM   35  C   UNL     1       2.193   0.261  -8.717  1.00  0.00           C  
HETATM   36  C   UNL     1       2.838  -0.111 -10.053  1.00  0.00           C  
HETATM   37  C   UNL     1       1.893   0.261 -11.197  1.00  0.00           C  
HETATM   38  C   UNL     1       2.537  -0.111 -12.534  1.00  0.00           C  
HETATM   39  C   UNL     1       1.592   0.262 -13.678  1.00  0.00           C  
HETATM   40  C   UNL     1       2.237  -0.111 -15.014  1.00  0.00           C  
HETATM   41  C   UNL     1       1.292   0.262 -16.158  1.00  0.00           C  
HETATM   42  C   UNL     1       1.936  -0.110 -17.494  1.00  0.00           C  
HETATM   43  C   UNL     1       0.991   0.263 -18.638  1.00  0.00           C  
HETATM   44  C   UNL     1       1.636  -0.110 -19.975  1.00  0.00           C  
HETATM   45  C   UNL     1       0.691   0.263 -21.119  1.00  0.00           C  
HETATM   46  O   UNL     1       4.494  -0.615  -5.351  1.00  0.00           O  
HETATM   47  C   UNL     1       4.871   0.258  13.382  1.00  0.00           C  
HETATM   48  C   UNL     1       5.816  -0.115  14.526  1.00  0.00           C  
HETATM   49  C   UNL     1       5.172   0.257  15.862  1.00  0.00           C  
HETATM   50  C   UNL     1       6.116  -0.116  17.006  1.00  0.00           C  
HETATM   51  C   UNL     1       5.472   0.257  18.342  1.00  0.00           C  
HETATM   52  C   UNL     1       6.417  -0.116  19.486  1.00  0.00           C  
HETATM   53  C   UNL     1       5.773   0.257  20.823  1.00  0.00           C  
HETATM   54  C   UNL     1       6.718  -0.116  21.967  1.00  0.00           C  
HETATM   55  C   UNL     1       6.073   0.256  23.303  1.00  0.00           C  
HETATM   56  C   UNL     1     -14.925   0.497   6.464  1.00  0.00           C  
HETATM   57  C   UNL     1     -16.244  -0.260   6.624  1.00  0.00           C  
HETATM   58  C   UNL     1     -17.212   0.571   7.468  1.00  0.00           C  
HETATM   59  C   UNL     1     -18.531  -0.187   7.628  1.00  0.00           C  
HETATM   60  C   UNL     1       1.335  -0.110 -22.455  1.00  0.00           C  
HETATM   61  C   UNL     1       0.390   0.263 -23.599  1.00  0.00           C  
HETATM   62  C   UNL     1       1.035  -0.109 -24.935  1.00  0.00           C  
HETATM   63  C   UNL     1       0.090   0.264 -26.079  1.00  0.00           C  
HETATM   64  H   UNL     1       2.729  -0.280   3.574  1.00  0.00           H  
HETATM   65  H   UNL     1       3.477   1.332   3.484  1.00  0.00           H  
HETATM   66  H   UNL     1       5.554   0.426   4.490  1.00  0.00           H  
HETATM   67  H   UNL     1       4.806  -1.186   4.581  1.00  0.00           H  
HETATM   68  H   UNL     1       3.030  -0.281   6.054  1.00  0.00           H  
HETATM   69  H   UNL     1       3.777   1.331   5.964  1.00  0.00           H  
HETATM   70  H   UNL     1       5.854   0.425   6.971  1.00  0.00           H  
HETATM   71  H   UNL     1       5.107  -1.187   7.061  1.00  0.00           H  
HETATM   72  H   UNL     1       3.330  -0.281   8.535  1.00  0.00           H  
HETATM   73  H   UNL     1       4.078   1.331   8.445  1.00  0.00           H  
HETATM   74  H   UNL     1       6.155   0.425   9.451  1.00  0.00           H  
HETATM   75  H   UNL     1       5.407  -1.187   9.541  1.00  0.00           H  
HETATM   76  H   UNL     1       3.631  -0.281  11.015  1.00  0.00           H  
HETATM   77  H   UNL     1       4.378   1.331  10.925  1.00  0.00           H  
HETATM   78  H   UNL     1       6.455   0.425  11.931  1.00  0.00           H  
HETATM   79  H   UNL     1       5.708  -1.187  12.022  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.673  -0.956  -1.383  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.050  -1.729   0.094  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.767   0.235   1.425  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.390   1.009  -0.051  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.960  -0.882  -0.379  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.337  -1.655   1.097  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.054   0.309   2.429  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.677   1.082   0.952  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.247  -0.808   0.624  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.623  -1.582   2.101  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.341   0.383   3.432  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.964   1.156   1.955  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.534  -0.735   1.627  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.910  -1.508   3.105  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.628   0.456   4.436  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.251   1.229   2.959  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.820  -0.661   2.631  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.197  -1.434   4.108  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.914   0.530   5.440  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.538   1.303   3.962  1.00  0.00           H  
HETATM  100  H   UNL     1     -12.107  -0.588   3.635  1.00  0.00           H  
HETATM  101  H   UNL     1     -11.484  -1.361   5.112  1.00  0.00           H  
HETATM  102  H   UNL     1     -12.201   0.604   6.443  1.00  0.00           H  
HETATM  103  H   UNL     1     -12.825   1.377   4.966  1.00  0.00           H  
HETATM  104  H   UNL     1     -14.394  -0.514   4.638  1.00  0.00           H  
HETATM  105  H   UNL     1     -13.771  -1.287   6.115  1.00  0.00           H  
HETATM  106  H   UNL     1       5.203   0.315  -0.386  1.00  0.00           H  
HETATM  107  H   UNL     1       4.456  -1.297  -0.296  1.00  0.00           H  
HETATM  108  H   UNL     1       3.126   1.221  -1.393  1.00  0.00           H  
HETATM  109  H   UNL     1       4.903   0.315  -2.867  1.00  0.00           H  
HETATM  110  H   UNL     1       4.155  -1.297  -2.776  1.00  0.00           H  
HETATM  111  H   UNL     1       1.554  -0.279  -6.123  1.00  0.00           H  
HETATM  112  H   UNL     1       2.301   1.333  -6.213  1.00  0.00           H  
HETATM  113  H   UNL     1       4.078   0.428  -7.687  1.00  0.00           H  
HETATM  114  H   UNL     1       3.331  -1.184  -7.597  1.00  0.00           H  
HETATM  115  H   UNL     1       1.254  -0.278  -8.603  1.00  0.00           H  
HETATM  116  H   UNL     1       2.001   1.334  -8.693  1.00  0.00           H  
HETATM  117  H   UNL     1       3.778   0.428 -10.167  1.00  0.00           H  
HETATM  118  H   UNL     1       3.030  -1.184 -10.077  1.00  0.00           H  
HETATM  119  H   UNL     1       0.953  -0.278 -11.083  1.00  0.00           H  
HETATM  120  H   UNL     1       1.700   1.334 -11.174  1.00  0.00           H  
HETATM  121  H   UNL     1       3.477   0.428 -12.648  1.00  0.00           H  
HETATM  122  H   UNL     1       2.730  -1.184 -12.557  1.00  0.00           H  
HETATM  123  H   UNL     1       0.653  -0.278 -13.564  1.00  0.00           H  
HETATM  124  H   UNL     1       1.400   1.334 -13.654  1.00  0.00           H  
HETATM  125  H   UNL     1       3.176   0.429 -15.128  1.00  0.00           H  
HETATM  126  H   UNL     1       2.429  -1.183 -15.038  1.00  0.00           H  
HETATM  127  H   UNL     1       0.352  -0.277 -16.044  1.00  0.00           H  
HETATM  128  H   UNL     1       1.099   1.335 -16.134  1.00  0.00           H  
HETATM  129  H   UNL     1       2.876   0.429 -17.608  1.00  0.00           H  
HETATM  130  H   UNL     1       2.129  -1.183 -17.518  1.00  0.00           H  
HETATM  131  H   UNL     1       0.051  -0.277 -18.524  1.00  0.00           H  
HETATM  132  H   UNL     1       0.799   1.335 -18.615  1.00  0.00           H  
HETATM  133  H   UNL     1       2.575   0.430 -20.089  1.00  0.00           H  
HETATM  134  H   UNL     1       1.828  -1.183 -19.998  1.00  0.00           H  
HETATM  135  H   UNL     1      -0.248  -0.276 -21.005  1.00  0.00           H  
HETATM  136  H   UNL     1       0.498   1.336 -21.095  1.00  0.00           H  
HETATM  137  H   UNL     1       3.931  -0.282  13.496  1.00  0.00           H  
HETATM  138  H   UNL     1       4.679   1.330  13.405  1.00  0.00           H  
HETATM  139  H   UNL     1       6.756   0.424  14.412  1.00  0.00           H  
HETATM  140  H   UNL     1       6.008  -1.188  14.502  1.00  0.00           H  
HETATM  141  H   UNL     1       4.232  -0.282  15.976  1.00  0.00           H  
HETATM  142  H   UNL     1       4.979   1.330  15.886  1.00  0.00           H  
HETATM  143  H   UNL     1       7.056   0.424  16.892  1.00  0.00           H  
HETATM  144  H   UNL     1       6.309  -1.188  16.982  1.00  0.00           H  
HETATM  145  H   UNL     1       4.532  -0.282  18.456  1.00  0.00           H  
HETATM  146  H   UNL     1       5.280   1.330  18.366  1.00  0.00           H  
HETATM  147  H   UNL     1       7.357   0.423  19.372  1.00  0.00           H  
HETATM  148  H   UNL     1       6.609  -1.189  19.463  1.00  0.00           H  
HETATM  149  H   UNL     1       4.833  -0.283  20.937  1.00  0.00           H  
HETATM  150  H   UNL     1       5.580   1.329  20.846  1.00  0.00           H  
HETATM  151  H   UNL     1       7.657   0.423  21.853  1.00  0.00           H  
HETATM  152  H   UNL     1       6.910  -1.189  21.943  1.00  0.00           H  
HETATM  153  H   UNL     1       6.746  -0.009  24.118  1.00  0.00           H  
HETATM  154  H   UNL     1       5.881   1.329  23.327  1.00  0.00           H  
HETATM  155  H   UNL     1       5.133  -0.283  23.417  1.00  0.00           H  
HETATM  156  H   UNL     1     -14.488   0.677   7.447  1.00  0.00           H  
HETATM  157  H   UNL     1     -15.111   1.450   5.970  1.00  0.00           H  
HETATM  158  H   UNL     1     -16.681  -0.440   5.642  1.00  0.00           H  
HETATM  159  H   UNL     1     -16.058  -1.213   7.119  1.00  0.00           H  
HETATM  160  H   UNL     1     -16.775   0.751   8.450  1.00  0.00           H  
HETATM  161  H   UNL     1     -17.398   1.524   6.973  1.00  0.00           H  
HETATM  162  H   UNL     1     -19.220   0.405   8.229  1.00  0.00           H  
HETATM  163  H   UNL     1     -18.968  -0.367   6.646  1.00  0.00           H  
HETATM  164  H   UNL     1     -18.345  -1.140   8.123  1.00  0.00           H  
HETATM  165  H   UNL     1       2.275   0.430 -22.569  1.00  0.00           H  
HETATM  166  H   UNL     1       1.528  -1.182 -22.479  1.00  0.00           H  
HETATM  167  H   UNL     1      -0.549  -0.276 -23.485  1.00  0.00           H  
HETATM  168  H   UNL     1       0.198   1.336 -23.575  1.00  0.00           H  
HETATM  169  H   UNL     1       1.974   0.430 -25.049  1.00  0.00           H  
HETATM  170  H   UNL     1       1.227  -1.182 -24.959  1.00  0.00           H  
HETATM  171  H   UNL     1       0.549  -0.001 -27.031  1.00  0.00           H  
HETATM  172  H   UNL     1      -0.849  -0.276 -25.966  1.00  0.00           H  
HETATM  173  H   UNL     1      -0.102   1.336 -26.056  1.00  0.00           H  
CONECT    1    2   10   10   26                                       
CONECT    2    1    3   64   65                                       
CONECT    3    2    4   66   67                                       
CONECT    4    3    5   68   69                                       
CONECT    5    4    6   70   71                                       
CONECT    6    5    7   72   73                                       
CONECT    7    6    8   74   75                                       
CONECT    8    7    9   76   77                                       
CONECT    9    8   47   78   79                                       
CONECT   10    1    1                                                 
CONECT   11   12   25   25   29                                       
CONECT   12   11   13   80   81                                       
CONECT   13   12   14   82   83                                       
CONECT   14   13   15   84   85                                       
CONECT   15   14   16   86   87                                       
CONECT   16   15   17   88   89                                       
CONECT   17   16   18   90   91                                       
CONECT   18   17   19   92   93                                       
CONECT   19   18   20   94   95                                       
CONECT   20   19   21   96   97                                       
CONECT   21   20   22   98   99                                       
CONECT   22   21   23  100  101                                       
CONECT   23   22   24  102  103                                       
CONECT   24   23   56  104  105                                       
CONECT   25   11   11                                                 
CONECT   26    1   27                                                 
CONECT   27   26   28  106  107                                       
CONECT   28   27   29   30  108                                       
CONECT   29   11   28                                                 
CONECT   30   28   31  109  110                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   46   46                                       
CONECT   33   32   34  111  112                                       
CONECT   34   33   35  113  114                                       
CONECT   35   34   36  115  116                                       
CONECT   36   35   37  117  118                                       
CONECT   37   36   38  119  120                                       
CONECT   38   37   39  121  122                                       
CONECT   39   38   40  123  124                                       
CONECT   40   39   41  125  126                                       
CONECT   41   40   42  127  128                                       
CONECT   42   41   43  129  130                                       
CONECT   43   42   44  131  132                                       
CONECT   44   43   45  133  134                                       
CONECT   45   44   60  135  136                                       
CONECT   46   32   32                                                 
CONECT   47    9   48  137  138                                       
CONECT   48   47   49  139  140                                       
CONECT   49   48   50  141  142                                       
CONECT   50   49   51  143  144                                       
CONECT   51   50   52  145  146                                       
CONECT   52   51   53  147  148                                       
CONECT   53   52   54  149  150                                       
CONECT   54   53   55  151  152                                       
CONECT   55   54  153  154  155                                       
CONECT   56   24   57  156  157                                       
CONECT   57   56   58  158  159                                       
CONECT   58   57   59  160  161                                       
CONECT   59   58  162  163  164                                       
CONECT   60   45   61  165  166                                       
CONECT   61   60   62  167  168                                       
CONECT   62   61   63  169  170                                       
CONECT   63   62  171  172  173                                       
CONECT   64    2                                                      
CONECT   65    2                                                      
CONECT   66    3                                                      
CONECT   67    3                                                      
CONECT   68    4                                                      
CONECT   69    4                                                      
CONECT   70    5                                                      
CONECT   71    5                                                      
CONECT   72    6                                                      
CONECT   73    6                                                      
CONECT   74    7                                                      
CONECT   75    7                                                      
CONECT   76    8                                                      
CONECT   77    8                                                      
CONECT   78    9                                                      
CONECT   79    9                                                      
CONECT   80   12                                                      
CONECT   81   12                                                      
CONECT   82   13                                                      
CONECT   83   13                                                      
CONECT   84   14                                                      
CONECT   85   14                                                      
CONECT   86   15                                                      
CONECT   87   15                                                      
CONECT   88   16                                                      
CONECT   89   16                                                      
CONECT   90   17                                                      
CONECT   91   17                                                      
CONECT   92   18                                                      
CONECT   93   18                                                      
CONECT   94   19                                                      
CONECT   95   19                                                      
CONECT   96   20                                                      
CONECT   97   20                                                      
CONECT   98   21                                                      
CONECT   99   21                                                      
CONECT  100   22                                                      
CONECT  101   22                                                      
CONECT  102   23                                                      
CONECT  103   23                                                      
CONECT  104   24                                                      
CONECT  105   24                                                      
CONECT  106   27                                                      
CONECT  107   27                                                      
CONECT  108   28                                                      
CONECT  109   30                                                      
CONECT  110   30                                                      
CONECT  111   33                                                      
CONECT  112   33                                                      
CONECT  113   34                                                      
CONECT  114   34                                                      
CONECT  115   35                                                      
CONECT  116   35                                                      
CONECT  117   36                                                      
CONECT  118   36                                                      
CONECT  119   37                                                      
CONECT  120   37                                                      
CONECT  121   38                                                      
CONECT  122   38                                                      
CONECT  123   39                                                      
CONECT  124   39                                                      
CONECT  125   40                                                      
CONECT  126   40                                                      
CONECT  127   41                                                      
CONECT  128   41                                                      
CONECT  129   42                                                      
CONECT  130   42                                                      
CONECT  131   43                                                      
CONECT  132   43                                                      
CONECT  133   44                                                      
CONECT  134   44                                                      
CONECT  135   45                                                      
CONECT  136   45                                                      
CONECT  137   47                                                      
CONECT  138   47                                                      
CONECT  139   48                                                      
CONECT  140   48                                                      
CONECT  141   49                                                      
CONECT  142   49                                                      
CONECT  143   50                                                      
CONECT  144   50                                                      
CONECT  145   51                                                      
CONECT  146   51                                                      
CONECT  147   52                                                      
CONECT  148   52                                                      
CONECT  149   53                                                      
CONECT  150   53                                                      
CONECT  151   54                                                      
CONECT  152   54                                                      
CONECT  153   55                                                      
CONECT  154   55                                                      
CONECT  155   55                                                      
CONECT  156   56                                                      
CONECT  157   56                                                      
CONECT  158   57                                                      
CONECT  159   57                                                      
CONECT  160   58                                                      
CONECT  161   58                                                      
CONECT  162   59                                                      
CONECT  163   59                                                      
CONECT  164   59                                                      
CONECT  165   60                                                      
CONECT  166   60                                                      
CONECT  167   61                                                      
CONECT  168   61                                                      
CONECT  169   62                                                      
CONECT  170   62                                                      
CONECT  171   63                                                      
CONECT  172   63                                                      
CONECT  173   63                                                      
MASTER        0    0    0    0    0    0    0    0  173    0  173    0
END
