COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.326   3.291  -2.174  1.00  0.00           O  
HETATM    2  O   UNL     1       7.922  -1.495   2.672  1.00  0.00           O  
HETATM    3  O   UNL     1     -10.922  -0.481   0.873  1.00  0.00           O  
HETATM    4  O   UNL     1      -8.143  -3.050  -0.950  1.00  0.00           O  
HETATM    5  C   UNL     1       3.224   3.420  -0.334  1.00  0.00           C  
HETATM    6  C   UNL     1       1.714   3.055  -0.387  1.00  0.00           C  
HETATM    7  C   UNL     1       3.747   2.984   1.020  1.00  0.00           C  
HETATM    8  C   UNL     1       3.651   1.453   1.074  1.00  0.00           C  
HETATM    9  C   UNL     1       1.213   3.816  -1.609  1.00  0.00           C  
HETATM   10  C   UNL     1       1.608   1.545  -0.429  1.00  0.00           C  
HETATM   11  C   UNL     1       3.185   4.930  -0.588  1.00  0.00           C  
HETATM   12  C   UNL     1       2.195   1.005   0.908  1.00  0.00           C  
HETATM   13  C   UNL     1       4.491   0.822  -0.024  1.00  0.00           C  
HETATM   14  C   UNL     1       2.124   5.066  -1.714  1.00  0.00           C  
HETATM   15  C   UNL     1       5.200   3.406   1.217  1.00  0.00           C  
HETATM   16  C   UNL     1       3.987   2.710  -1.454  1.00  0.00           C  
HETATM   17  C   UNL     1       1.014   3.579   0.869  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.244   4.237  -1.411  1.00  0.00           C  
HETATM   19  C   UNL     1       5.747   1.577  -0.336  1.00  0.00           C  
HETATM   20  C   UNL     1       4.153   0.965   2.434  1.00  0.00           C  
HETATM   21  C   UNL     1       4.844  -0.621   0.349  1.00  0.00           C  
HETATM   22  C   UNL     1       6.065   2.717   0.202  1.00  0.00           C  
HETATM   23  C   UNL     1       6.710   0.965  -1.341  1.00  0.00           C  
HETATM   24  C   UNL     1       5.684  -1.242  -0.769  1.00  0.00           C  
HETATM   25  C   UNL     1       7.001  -0.477  -0.912  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.134   2.993  -1.373  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.677   5.138  -2.569  1.00  0.00           C  
HETATM   28  C   UNL     1       8.012   1.769  -1.364  1.00  0.00           C  
HETATM   29  C   UNL     1       6.076   0.970  -2.733  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.586   3.411  -1.137  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.476   2.167  -1.099  1.00  0.00           C  
HETATM   32  C   UNL     1       9.112  -0.478   0.225  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.942   2.591  -0.989  1.00  0.00           C  
HETATM   34  C   UNL     1       9.739  -0.301   1.610  1.00  0.00           C  
HETATM   35  C   UNL     1       9.340  -1.485   2.497  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.118   3.508   0.224  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.821   1.350  -0.822  1.00  0.00           C  
HETATM   38  C   UNL     1       9.153  -2.867   0.426  1.00  0.00           C  
HETATM   39  C   UNL     1       9.781  -2.787   1.820  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.190  -0.041  -0.212  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.903  -0.704   0.286  1.00  0.00           C  
HETATM   42  C   UNL     1       9.637  -4.135  -0.279  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.784  -0.498   1.799  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.276  -0.391   1.898  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.033  -1.068   2.480  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.530  -0.997   2.530  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.397  -2.448  -1.278  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.378  -3.971  -1.431  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.816  -4.498  -1.383  1.00  0.00           C  
HETATM   50  C   UNL     1      -3.567  -2.297  -2.288  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.636  -3.814  -2.481  1.00  0.00           C  
HETATM   52  C   UNL     1      -7.919  -0.797   2.567  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.925   0.329   2.818  1.00  0.00           C  
HETATM   54  C   UNL     1      -4.334  -1.604  -3.416  1.00  0.00           C  
HETATM   55  C   UNL     1      -9.182   1.076   1.505  1.00  0.00           C  
HETATM   56  C   UNL     1      -8.641  -1.038   0.293  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.676   0.079   0.452  1.00  0.00           C  
HETATM   58  C   UNL     1      -9.155  -2.070  -0.714  1.00  0.00           C  
HETATM   59  O   UNL     1       1.409   1.494   1.997  1.00  0.00           O  
HETATM   60  O   UNL     1       7.687  -0.472   0.342  1.00  0.00           O  
HETATM   61  O   UNL     1      -3.126   1.366   0.031  1.00  0.00           O  
HETATM   62  O   UNL     1       9.538  -1.721  -0.335  1.00  0.00           O  
HETATM   63  O   UNL     1      11.161  -0.254   1.488  1.00  0.00           O  
HETATM   64  O   UNL     1      -4.309  -0.594   0.484  1.00  0.00           O  
HETATM   65  O   UNL     1      11.206  -2.805   1.703  1.00  0.00           O  
HETATM   66  O   UNL     1      -1.943  -2.103  -0.004  1.00  0.00           O  
HETATM   67  O   UNL     1       8.962  -4.271  -1.532  1.00  0.00           O  
HETATM   68  O   UNL     1      -1.678   0.898   2.085  1.00  0.00           O  
HETATM   69  O   UNL     1      -3.103  -2.476   2.248  1.00  0.00           O  
HETATM   70  O   UNL     1      -6.676  -0.239   2.135  1.00  0.00           O  
HETATM   71  O   UNL     1      -2.201  -1.877  -2.312  1.00  0.00           O  
HETATM   72  O   UNL     1      -0.782  -4.319  -2.682  1.00  0.00           O  
HETATM   73  O   UNL     1      -3.389  -4.208  -0.107  1.00  0.00           O  
HETATM   74  O   UNL     1      -8.426  -1.671   1.556  1.00  0.00           O  
HETATM   75  O   UNL     1      -3.101  -4.158  -3.761  1.00  0.00           O  
HETATM   76  O   UNL     1     -10.151  -0.224   3.301  1.00  0.00           O  
HETATM   77  O   UNL     1      -4.368  -0.196  -3.174  1.00  0.00           O  
HETATM   78  O   UNL     1      -7.970   1.686   1.057  1.00  0.00           O  
HETATM   79  H   UNL     1      -5.168   2.797  -2.991  1.00  0.00           H  
HETATM   80  H   UNL     1       7.572  -0.696   3.090  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.624   0.172   0.999  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.400  -3.738  -1.579  1.00  0.00           H  
HETATM   83  H   UNL     1       3.131   3.420   1.806  1.00  0.00           H  
HETATM   84  H   UNL     1       1.312   3.201  -2.503  1.00  0.00           H  
HETATM   85  H   UNL     1       0.561   1.256  -0.516  1.00  0.00           H  
HETATM   86  H   UNL     1       2.175   1.145  -1.270  1.00  0.00           H  
HETATM   87  H   UNL     1       2.867   5.464   0.308  1.00  0.00           H  
HETATM   88  H   UNL     1       4.157   5.290  -0.925  1.00  0.00           H  
HETATM   89  H   UNL     1       2.159  -0.084   0.902  1.00  0.00           H  
HETATM   90  H   UNL     1       3.887   0.784  -0.931  1.00  0.00           H  
HETATM   91  H   UNL     1       2.613   5.091  -2.688  1.00  0.00           H  
HETATM   92  H   UNL     1       1.535   5.971  -1.567  1.00  0.00           H  
HETATM   93  H   UNL     1       5.284   4.486   1.093  1.00  0.00           H  
HETATM   94  H   UNL     1       5.525   3.129   2.219  1.00  0.00           H  
HETATM   95  H   UNL     1       5.038   2.623  -1.179  1.00  0.00           H  
HETATM   96  H   UNL     1       3.568   1.715  -1.605  1.00  0.00           H  
HETATM   97  H   UNL     1       3.898   3.285  -2.375  1.00  0.00           H  
HETATM   98  H   UNL     1       0.007   3.166   0.923  1.00  0.00           H  
HETATM   99  H   UNL     1       1.578   3.279   1.752  1.00  0.00           H  
HETATM  100  H   UNL     1       0.958   4.667   0.826  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.341   4.782  -0.472  1.00  0.00           H  
HETATM  102  H   UNL     1       3.540   1.398   3.225  1.00  0.00           H  
HETATM  103  H   UNL     1       4.087  -0.122   2.478  1.00  0.00           H  
HETATM  104  H   UNL     1       5.190   1.271   2.570  1.00  0.00           H  
HETATM  105  H   UNL     1       5.413  -0.628   1.278  1.00  0.00           H  
HETATM  106  H   UNL     1       3.928  -1.197   0.478  1.00  0.00           H  
HETATM  107  H   UNL     1       6.990   3.189  -0.094  1.00  0.00           H  
HETATM  108  H   UNL     1       5.895  -2.284  -0.528  1.00  0.00           H  
HETATM  109  H   UNL     1       5.133  -1.192  -1.707  1.00  0.00           H  
HETATM  110  H   UNL     1       7.623  -0.961  -1.664  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.058   2.463  -2.322  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.808   2.339  -0.564  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.580   4.593  -3.509  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.715   5.438  -2.428  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.043   6.024  -2.597  1.00  0.00           H  
HETATM  116  H   UNL     1       8.481   1.729  -0.381  1.00  0.00           H  
HETATM  117  H   UNL     1       8.688   1.345  -2.107  1.00  0.00           H  
HETATM  118  H   UNL     1       7.793   2.806  -1.621  1.00  0.00           H  
HETATM  119  H   UNL     1       5.852   1.996  -3.026  1.00  0.00           H  
HETATM  120  H   UNL     1       6.769   0.531  -3.450  1.00  0.00           H  
HETATM  121  H   UNL     1       5.154   0.388  -2.714  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.662   3.942  -0.188  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.911   4.066  -1.946  1.00  0.00           H  
HETATM  124  H   UNL     1      -3.332   1.590  -2.012  1.00  0.00           H  
HETATM  125  H   UNL     1       9.427   0.340  -0.424  1.00  0.00           H  
HETATM  126  H   UNL     1       9.379   0.625   2.057  1.00  0.00           H  
HETATM  127  H   UNL     1       9.827  -1.394   3.467  1.00  0.00           H  
HETATM  128  H   UNL     1      -6.162   3.810   0.302  1.00  0.00           H  
HETATM  129  H   UNL     1      -4.825   2.974   1.128  1.00  0.00           H  
HETATM  130  H   UNL     1      -4.491   4.392   0.105  1.00  0.00           H  
HETATM  131  H   UNL     1      -5.616   0.649  -1.631  1.00  0.00           H  
HETATM  132  H   UNL     1      -5.601   0.876   0.134  1.00  0.00           H  
HETATM  133  H   UNL     1      -6.871   1.642  -0.850  1.00  0.00           H  
HETATM  134  H   UNL     1       8.067  -2.894   0.518  1.00  0.00           H  
HETATM  135  H   UNL     1       9.453  -3.638   2.417  1.00  0.00           H  
HETATM  136  H   UNL     1      -3.301  -0.221  -1.281  1.00  0.00           H  
HETATM  137  H   UNL     1      -1.044  -0.253  -0.211  1.00  0.00           H  
HETATM  138  H   UNL     1      10.711  -4.069  -0.451  1.00  0.00           H  
HETATM  139  H   UNL     1       9.422  -5.003   0.345  1.00  0.00           H  
HETATM  140  H   UNL     1      -0.899  -1.016   2.170  1.00  0.00           H  
HETATM  141  H   UNL     1      -4.241   0.678   2.111  1.00  0.00           H  
HETATM  142  H   UNL     1      -2.982  -0.876   3.552  1.00  0.00           H  
HETATM  143  H   UNL     1      -5.644  -2.028   2.196  1.00  0.00           H  
HETATM  144  H   UNL     1      -5.437  -0.975   3.616  1.00  0.00           H  
HETATM  145  H   UNL     1      -0.380  -2.063  -1.354  1.00  0.00           H  
HETATM  146  H   UNL     1      -0.802  -4.412  -0.617  1.00  0.00           H  
HETATM  147  H   UNL     1      -2.815  -5.576  -1.546  1.00  0.00           H  
HETATM  148  H   UNL     1      -4.012  -2.032  -1.329  1.00  0.00           H  
HETATM  149  H   UNL     1      -4.673  -4.142  -2.419  1.00  0.00           H  
HETATM  150  H   UNL     1      -7.764  -1.359   3.488  1.00  0.00           H  
HETATM  151  H   UNL     1      -8.520   1.020   3.558  1.00  0.00           H  
HETATM  152  H   UNL     1      -3.836  -1.797  -4.366  1.00  0.00           H  
HETATM  153  H   UNL     1      -5.352  -1.991  -3.454  1.00  0.00           H  
HETATM  154  H   UNL     1      -9.939   1.843   1.664  1.00  0.00           H  
HETATM  155  H   UNL     1      -7.703  -0.616  -0.067  1.00  0.00           H  
HETATM  156  H   UNL     1      -9.810   0.592  -0.500  1.00  0.00           H  
HETATM  157  H   UNL     1      -9.403  -1.571  -1.651  1.00  0.00           H  
HETATM  158  H   UNL     1     -10.045  -2.555  -0.314  1.00  0.00           H  
HETATM  159  H   UNL     1       0.480   1.228   1.963  1.00  0.00           H  
HETATM  160  H   UNL     1      11.485   0.470   0.935  1.00  0.00           H  
HETATM  161  H   UNL     1      11.670  -2.757   2.550  1.00  0.00           H  
HETATM  162  H   UNL     1       9.219  -5.055  -2.035  1.00  0.00           H  
HETATM  163  H   UNL     1      -1.600   1.102   3.027  1.00  0.00           H  
HETATM  164  H   UNL     1      -2.343  -2.969   2.588  1.00  0.00           H  
HETATM  165  H   UNL     1       0.129  -4.012  -2.782  1.00  0.00           H  
HETATM  166  H   UNL     1      -2.916  -4.605   0.637  1.00  0.00           H  
HETATM  167  H   UNL     1      -3.109  -5.107  -3.948  1.00  0.00           H  
HETATM  168  H   UNL     1     -10.061  -0.715   4.129  1.00  0.00           H  
HETATM  169  H   UNL     1      -4.840   0.308  -3.851  1.00  0.00           H  
HETATM  170  H   UNL     1      -7.755   2.513   1.508  1.00  0.00           H  
CONECT    1   33   79                                                 
CONECT    2   35   80                                                 
CONECT    3   57   81                                                 
CONECT    4   58   82                                                 
CONECT    5    6    7   11   16                                       
CONECT    6   10   17    9    5                                       
CONECT    7    8    5   15   83                                       
CONECT    8   12   20    7   13                                       
CONECT    9   18    6   14   84                                       
CONECT   10   12    6   85   86                                       
CONECT   11   14    5   87   88                                       
CONECT   12   59   10    8   89                                       
CONECT   13    8   21   19   90                                       
CONECT   14    9   11   91   92                                       
CONECT   15    7   22   93   94                                       
CONECT   16    5   95   96   97                                       
CONECT   17    6   98   99  100                                       
CONECT   18   27   26    9  101                                       
CONECT   19   13   22   22   23                                       
CONECT   20    8  102  103  104                                       
CONECT   21   13   24  105  106                                       
CONECT   22   15   19   19  107                                       
CONECT   23   19   25   29   28                                       
CONECT   24   21   25  108  109                                       
CONECT   25   24   60   23  110                                       
CONECT   26   18   30  111  112                                       
CONECT   27   18  113  114  115                                       
CONECT   28   23  116  117  118                                       
CONECT   29   23  119  120  121                                       
CONECT   30   26   31  122  123                                       
CONECT   31   30   33   61  124                                       
CONECT   32   62   60   34  125                                       
CONECT   33   37    1   31   36                                       
CONECT   34   32   35   63  126                                       
CONECT   35   39   34    2  127                                       
CONECT   36   33  128  129  130                                       
CONECT   37   33  131  132  133                                       
CONECT   38   42   62   39  134                                       
CONECT   39   38   65   35  135                                       
CONECT   40   61   64   41  136                                       
CONECT   41   40   66   43  137                                       
CONECT   42   67   38  138  139                                       
CONECT   43   41   45   68  140                                       
CONECT   44   64   46   45  141                                       
CONECT   45   44   43   69  142                                       
CONECT   46   70   44  143  144                                       
CONECT   47   48   71   66  145                                       
CONECT   48   72   49   47  146                                       
CONECT   49   73   48   51  147                                       
CONECT   50   51   71   54  148                                       
CONECT   51   49   75   50  149                                       
CONECT   52   53   70   74  150                                       
CONECT   53   55   76   52  151                                       
CONECT   54   50   77  152  153                                       
CONECT   55   78   57   53  154                                       
CONECT   56   57   58   74  155                                       
CONECT   57    3   55   56  156                                       
CONECT   58    4   56  157  158                                       
CONECT   59   12  159                                                 
CONECT   60   25   32                                                 
CONECT   61   31   40                                                 
CONECT   62   38   32                                                 
CONECT   63   34  160                                                 
CONECT   64   40   44                                                 
CONECT   65   39  161                                                 
CONECT   66   47   41                                                 
CONECT   67   42  162                                                 
CONECT   68   43  163                                                 
CONECT   69   45  164                                                 
CONECT   70   52   46                                                 
CONECT   71   47   50                                                 
CONECT   72   48  165                                                 
CONECT   73   49  166                                                 
CONECT   74   56   52                                                 
CONECT   75   51  167                                                 
CONECT   76   53  168                                                 
CONECT   77   54  169                                                 
CONECT   78   55  170                                                 
CONECT   79    1                                                      
CONECT   80    2                                                      
CONECT   81    3                                                      
CONECT   82    4                                                      
CONECT   83    7                                                      
CONECT   84    9                                                      
CONECT   85   10                                                      
CONECT   86   10                                                      
CONECT   87   11                                                      
CONECT   88   11                                                      
CONECT   89   12                                                      
CONECT   90   13                                                      
CONECT   91   14                                                      
CONECT   92   14                                                      
CONECT   93   15                                                      
CONECT   94   15                                                      
CONECT   95   16                                                      
CONECT   96   16                                                      
CONECT   97   16                                                      
CONECT   98   17                                                      
CONECT   99   17                                                      
CONECT  100   17                                                      
CONECT  101   18                                                      
CONECT  102   20                                                      
CONECT  103   20                                                      
CONECT  104   20                                                      
CONECT  105   21                                                      
CONECT  106   21                                                      
CONECT  107   22                                                      
CONECT  108   24                                                      
CONECT  109   24                                                      
CONECT  110   25                                                      
CONECT  111   26                                                      
CONECT  112   26                                                      
CONECT  113   27                                                      
CONECT  114   27                                                      
CONECT  115   27                                                      
CONECT  116   28                                                      
CONECT  117   28                                                      
CONECT  118   28                                                      
CONECT  119   29                                                      
CONECT  120   29                                                      
CONECT  121   29                                                      
CONECT  122   30                                                      
CONECT  123   30                                                      
CONECT  124   31                                                      
CONECT  125   32                                                      
CONECT  126   34                                                      
CONECT  127   35                                                      
CONECT  128   36                                                      
CONECT  129   36                                                      
CONECT  130   36                                                      
CONECT  131   37                                                      
CONECT  132   37                                                      
CONECT  133   37                                                      
CONECT  134   38                                                      
CONECT  135   39                                                      
CONECT  136   40                                                      
CONECT  137   41                                                      
CONECT  138   42                                                      
CONECT  139   42                                                      
CONECT  140   43                                                      
CONECT  141   44                                                      
CONECT  142   45                                                      
CONECT  143   46                                                      
CONECT  144   46                                                      
CONECT  145   47                                                      
CONECT  146   48                                                      
CONECT  147   49                                                      
CONECT  148   50                                                      
CONECT  149   51                                                      
CONECT  150   52                                                      
CONECT  151   53                                                      
CONECT  152   54                                                      
CONECT  153   54                                                      
CONECT  154   55                                                      
CONECT  155   56                                                      
CONECT  156   57                                                      
CONECT  157   58                                                      
CONECT  158   58                                                      
CONECT  159   59                                                      
CONECT  160   63                                                      
CONECT  161   65                                                      
CONECT  162   67                                                      
CONECT  163   68                                                      
CONECT  164   69                                                      
CONECT  165   72                                                      
CONECT  166   73                                                      
CONECT  167   75                                                      
CONECT  168   76                                                      
CONECT  169   77                                                      
CONECT  170   78                                                      
MASTER        0    0    0    0    0    0    0    0  170    0  170    0
END
