COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.386   1.592   0.505  1.00  0.00           C  
HETATM    2  C   UNL     1       5.988  -0.265   0.266  1.00  0.00           C  
HETATM    3  C   UNL     1       3.141   2.161   1.165  1.00  0.00           C  
HETATM    4  C   UNL     1       2.183   2.626   0.065  1.00  0.00           C  
HETATM    5  C   UNL     1       9.484   2.131  -0.269  1.00  0.00           C  
HETATM    6  C   UNL     1      10.279   0.420  -1.934  1.00  0.00           C  
HETATM    7  C   UNL     1      10.386  -0.710  -0.861  1.00  0.00           C  
HETATM    8  C   UNL     1       8.099   0.138  -0.994  1.00  0.00           C  
HETATM    9  C   UNL     1       6.970   0.802  -0.231  1.00  0.00           C  
HETATM   10  C   UNL     1       6.228   1.716  -1.214  1.00  0.00           C  
HETATM   11  C   UNL     1       8.373   2.051  -2.522  1.00  0.00           C  
HETATM   12  C   UNL     1       2.904   3.615  -0.853  1.00  0.00           C  
HETATM   13  C   UNL     1       4.062   2.911  -1.562  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.030   2.378   0.954  1.00  0.00           C  
HETATM   15  C   UNL     1       9.083   1.246  -1.451  1.00  0.00           C  
HETATM   16  C   UNL     1       8.986  -0.822  -0.211  1.00  0.00           C  
HETATM   17  C   UNL     1       7.168   2.733  -1.855  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.988  -4.639  -0.486  1.00  0.00           C  
HETATM   19  C   UNL     1       5.082   2.435  -0.523  1.00  0.00           C  
HETATM   20  C   UNL     1       5.659   3.666   0.178  1.00  0.00           C  
HETATM   21  C   UNL     1       4.784   0.406   0.859  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.749  -0.822   3.080  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.942   2.925   2.669  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.267  -4.850  -1.976  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.275  -0.374  -1.826  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.180   3.167   1.582  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.392   2.249   1.755  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.065   1.158   2.777  1.00  0.00           C  
HETATM   29  C   UNL     1       0.429  -1.596   2.484  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.038   1.912   3.009  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.773  -5.042  -2.183  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.054   0.411  -3.123  1.00  0.00           C  
HETATM   33  C   UNL     1       0.033  -2.132   1.105  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.334   1.059   1.772  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.248  -6.222  -1.330  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.117   1.509  -3.230  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.586   3.069   2.249  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.221  -3.001   1.248  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.732   1.979   0.614  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.893  -5.958   0.135  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.042   2.403  -1.990  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.336  -2.172   1.892  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.609   2.990   0.367  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.311  -7.159   0.986  1.00  0.00           C  
HETATM   45  C   UNL     1     -11.140   3.466  -2.060  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.573  -3.050   2.093  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.024   3.951  -0.749  1.00  0.00           C  
HETATM   48  C   UNL     1      12.328   0.488  -0.626  1.00  0.00           C  
HETATM   49  C   UNL     1      11.578   1.232  -1.746  1.00  0.00           C  
HETATM   50  C   UNL     1      12.402   1.231  -3.036  1.00  0.00           C  
HETATM   51  C   UNL     1      13.060   1.485   0.267  1.00  0.00           C  
HETATM   52  C   UNL     1      13.840   0.721   1.343  1.00  0.00           C  
HETATM   53  C   UNL     1      14.781  -0.278   0.663  1.00  0.00           C  
HETATM   54  C   UNL     1      13.962  -1.218  -0.225  1.00  0.00           C  
HETATM   55  C   UNL     1      15.519  -1.091   1.728  1.00  0.00           C  
HETATM   56  C   UNL     1      -9.233   0.593  -0.640  1.00  0.00           C  
HETATM   57  O   UNL     1      -1.641  -3.448  -0.042  1.00  0.00           O  
HETATM   58  O   UNL     1      -7.941   1.200  -0.566  1.00  0.00           O  
HETATM   59  O   UNL     1      -1.051   0.301   2.249  1.00  0.00           O  
HETATM   60  O   UNL     1      -4.741   2.231   2.323  1.00  0.00           O  
HETATM   61  O   UNL     1      -0.824  -3.707  -2.711  1.00  0.00           O  
HETATM   62  O   UNL     1       1.051   3.266   0.658  1.00  0.00           O  
HETATM   63  O   UNL     1      -8.245  -1.354  -1.680  1.00  0.00           O  
HETATM   64  O   UNL     1       1.555  -0.726   2.353  1.00  0.00           O  
HETATM   65  O   UNL     1      -6.596   1.070   4.075  1.00  0.00           O  
HETATM   66  O   UNL     1      -3.034  -5.312  -3.562  1.00  0.00           O  
HETATM   67  O   UNL     1      -9.165  -0.472  -4.241  1.00  0.00           O  
HETATM   68  O   UNL     1       1.100  -2.918   0.573  1.00  0.00           O  
HETATM   69  O   UNL     1      -8.407   0.159   2.058  1.00  0.00           O  
HETATM   70  O   UNL     1      -4.664  -6.365  -1.461  1.00  0.00           O  
HETATM   71  O   UNL     1      -9.877   2.293  -4.400  1.00  0.00           O  
HETATM   72  O   UNL     1      -1.482  -5.758   0.253  1.00  0.00           O  
HETATM   73  O   UNL     1     -10.225   1.606  -0.817  1.00  0.00           O  
HETATM   74  O   UNL     1      -1.891  -1.679   3.157  1.00  0.00           O  
HETATM   75  O   UNL     1      -6.363   3.729   1.565  1.00  0.00           O  
HETATM   76  O   UNL     1      -3.085  -6.867   2.366  1.00  0.00           O  
HETATM   77  O   UNL     1     -10.999   4.371  -0.963  1.00  0.00           O  
HETATM   78  O   UNL     1      -4.654  -2.247   2.571  1.00  0.00           O  
HETATM   79  O   UNL     1      -5.932   4.819  -1.060  1.00  0.00           O  
HETATM   80  O   UNL     1      11.309  -0.197   0.122  1.00  0.00           O  
HETATM   81  O   UNL     1      13.240  -0.450  -1.190  1.00  0.00           O  
HETATM   82  H   UNL     1       5.679  -0.893  -0.570  1.00  0.00           H  
HETATM   83  H   UNL     1       6.473  -0.881   1.024  1.00  0.00           H  
HETATM   84  H   UNL     1       2.661   1.390   1.768  1.00  0.00           H  
HETATM   85  H   UNL     1       3.414   3.006   1.797  1.00  0.00           H  
HETATM   86  H   UNL     1       1.851   1.766  -0.517  1.00  0.00           H  
HETATM   87  H   UNL     1      10.005   1.528   0.475  1.00  0.00           H  
HETATM   88  H   UNL     1      10.142   2.926  -0.618  1.00  0.00           H  
HETATM   89  H   UNL     1       8.591   2.567   0.178  1.00  0.00           H  
HETATM   90  H   UNL     1      10.162   0.038  -2.948  1.00  0.00           H  
HETATM   91  H   UNL     1      10.728  -1.652  -1.290  1.00  0.00           H  
HETATM   92  H   UNL     1       7.690  -0.371  -1.867  1.00  0.00           H  
HETATM   93  H   UNL     1       7.353   1.382   0.609  1.00  0.00           H  
HETATM   94  H   UNL     1       5.803   1.097  -2.004  1.00  0.00           H  
HETATM   95  H   UNL     1       9.048   2.804  -2.928  1.00  0.00           H  
HETATM   96  H   UNL     1       8.033   1.390  -3.318  1.00  0.00           H  
HETATM   97  H   UNL     1       2.203   3.998  -1.595  1.00  0.00           H  
HETATM   98  H   UNL     1       3.291   4.444  -0.261  1.00  0.00           H  
HETATM   99  H   UNL     1       3.681   2.053  -2.117  1.00  0.00           H  
HETATM  100  H   UNL     1       4.543   3.605  -2.251  1.00  0.00           H  
HETATM  101  H   UNL     1       0.310   1.612   1.651  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.373   1.905   0.034  1.00  0.00           H  
HETATM  103  H   UNL     1       8.609  -1.841  -0.298  1.00  0.00           H  
HETATM  104  H   UNL     1       9.031  -0.525   0.837  1.00  0.00           H  
HETATM  105  H   UNL     1       6.620   3.299  -2.607  1.00  0.00           H  
HETATM  106  H   UNL     1       7.528   3.418  -1.088  1.00  0.00           H  
HETATM  107  H   UNL     1       0.086  -4.545  -0.327  1.00  0.00           H  
HETATM  108  H   UNL     1       6.367   3.349   0.944  1.00  0.00           H  
HETATM  109  H   UNL     1       6.170   4.294  -0.552  1.00  0.00           H  
HETATM  110  H   UNL     1       4.851   4.232   0.642  1.00  0.00           H  
HETATM  111  H   UNL     1       4.222  -0.121   1.616  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.488  -0.475   4.080  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.756   3.564   3.533  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.736  -5.736  -2.324  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.246  -0.868  -1.860  1.00  0.00           H  
HETATM  116  H   UNL     1      -0.871   3.547   2.556  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.446   4.001   0.933  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.639   1.789   0.798  1.00  0.00           H  
HETATM  119  H   UNL     1      -1.709   1.619   3.698  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.962   0.575   2.985  1.00  0.00           H  
HETATM  121  H   UNL     1       0.687  -2.429   3.139  1.00  0.00           H  
HETATM  122  H   UNL     1      -7.941   2.441   3.312  1.00  0.00           H  
HETATM  123  H   UNL     1      -3.300  -4.137  -1.883  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.063   0.864  -3.111  1.00  0.00           H  
HETATM  125  H   UNL     1      -0.175  -1.298   0.435  1.00  0.00           H  
HETATM  126  H   UNL     1      -6.444   0.492   1.498  1.00  0.00           H  
HETATM  127  H   UNL     1      -2.757  -7.135  -1.666  1.00  0.00           H  
HETATM  128  H   UNL     1     -11.106   1.054  -3.293  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.366   3.473   3.237  1.00  0.00           H  
HETATM  130  H   UNL     1      -3.776   3.889   1.556  1.00  0.00           H  
HETATM  131  H   UNL     1      -0.998  -3.862   1.878  1.00  0.00           H  
HETATM  132  H   UNL     1      -8.650   2.509   0.868  1.00  0.00           H  
HETATM  133  H   UNL     1      -3.416  -5.067   0.482  1.00  0.00           H  
HETATM  134  H   UNL     1      -9.068   2.889  -1.950  1.00  0.00           H  
HETATM  135  H   UNL     1      -2.587  -1.334   1.242  1.00  0.00           H  
HETATM  136  H   UNL     1      -5.702   2.461   0.072  1.00  0.00           H  
HETATM  137  H   UNL     1      -4.369  -7.366   0.827  1.00  0.00           H  
HETATM  138  H   UNL     1      -2.723  -8.031   0.698  1.00  0.00           H  
HETATM  139  H   UNL     1     -11.055   4.015  -2.998  1.00  0.00           H  
HETATM  140  H   UNL     1     -12.117   2.984  -2.009  1.00  0.00           H  
HETATM  141  H   UNL     1      -3.852  -3.508   1.144  1.00  0.00           H  
HETATM  142  H   UNL     1      -3.350  -3.830   2.821  1.00  0.00           H  
HETATM  143  H   UNL     1      -7.299   3.381  -1.637  1.00  0.00           H  
HETATM  144  H   UNL     1      -7.877   4.544  -0.419  1.00  0.00           H  
HETATM  145  H   UNL     1      11.349   2.253  -1.440  1.00  0.00           H  
HETATM  146  H   UNL     1      11.818   1.678  -3.840  1.00  0.00           H  
HETATM  147  H   UNL     1      13.314   1.808  -2.885  1.00  0.00           H  
HETATM  148  H   UNL     1      12.661   0.206  -3.301  1.00  0.00           H  
HETATM  149  H   UNL     1      13.752   2.073  -0.335  1.00  0.00           H  
HETATM  150  H   UNL     1      12.336   2.147   0.742  1.00  0.00           H  
HETATM  151  H   UNL     1      14.423   1.424   1.939  1.00  0.00           H  
HETATM  152  H   UNL     1      13.143   0.186   1.988  1.00  0.00           H  
HETATM  153  H   UNL     1      15.504   0.262   0.051  1.00  0.00           H  
HETATM  154  H   UNL     1      14.631  -1.910  -0.737  1.00  0.00           H  
HETATM  155  H   UNL     1      13.260  -1.781   0.392  1.00  0.00           H  
HETATM  156  H   UNL     1      14.796  -1.632   2.338  1.00  0.00           H  
HETATM  157  H   UNL     1      16.189  -1.802   1.243  1.00  0.00           H  
HETATM  158  H   UNL     1      16.099  -0.420   2.361  1.00  0.00           H  
HETATM  159  H   UNL     1      -9.432   0.047   0.282  1.00  0.00           H  
HETATM  160  H   UNL     1       0.121  -3.524  -2.621  1.00  0.00           H  
HETATM  161  H   UNL     1      -8.323  -1.889  -0.879  1.00  0.00           H  
HETATM  162  H   UNL     1       1.858  -0.345   3.189  1.00  0.00           H  
HETATM  163  H   UNL     1      -6.459   1.534   4.912  1.00  0.00           H  
HETATM  164  H   UNL     1      -2.752  -4.608  -4.161  1.00  0.00           H  
HETATM  165  H   UNL     1      -8.525  -1.197  -4.235  1.00  0.00           H  
HETATM  166  H   UNL     1       1.929  -2.432   0.462  1.00  0.00           H  
HETATM  167  H   UNL     1      -8.226  -0.449   2.787  1.00  0.00           H  
HETATM  168  H   UNL     1      -4.960  -6.531  -2.367  1.00  0.00           H  
HETATM  169  H   UNL     1      -9.905   1.789  -5.224  1.00  0.00           H  
HETATM  170  H   UNL     1      -3.328  -7.586   2.965  1.00  0.00           H  
HETATM  171  H   UNL     1     -11.663   5.073  -0.944  1.00  0.00           H  
HETATM  172  H   UNL     1      -5.473  -2.739   2.721  1.00  0.00           H  
HETATM  173  H   UNL     1      -6.125   5.457  -1.761  1.00  0.00           H  
CONECT    1   21   21    3   19                                       
CONECT    2   21    9   82   83                                       
CONECT    3    4    1   84   85                                       
CONECT    4   62    3   12   86                                       
CONECT    5   15   87   88   89                                       
CONECT    6    7   15   49   90                                       
CONECT    7   16    6   80   91                                       
CONECT    8    9   16   15   92                                       
CONECT    9    2   10    8   93                                       
CONECT   10   19    9   17   94                                       
CONECT   11   17   15   95   96                                       
CONECT   12    4   13   97   98                                       
CONECT   13   12   19   99  100                                       
CONECT   14   26   62  101  102                                       
CONECT   15    8    6   11    5                                       
CONECT   16    8    7  103  104                                       
CONECT   17   10   11  105  106                                       
CONECT   18   72   57   24  107                                       
CONECT   19    1   13   10   20                                       
CONECT   20   19  108  109  110                                       
CONECT   21    2    1    1  111                                       
CONECT   22   74   59   29  112                                       
CONECT   23   30   60   75  113                                       
CONECT   24   61   18   31  114                                       
CONECT   25   56   32   63  115                                       
CONECT   26   14   27  116  117                                       
CONECT   27   26   28   37  118                                       
CONECT   28   59   27  119  120                                       
CONECT   29   33   22   64  121                                       
CONECT   30   65   23   34  122                                       
CONECT   31   35   24   66  123                                       
CONECT   32   67   25   36  124                                       
CONECT   33   38   68   29  125                                       
CONECT   34   30   69   39  126                                       
CONECT   35   70   40   31  127                                       
CONECT   36   32   41   71  128                                       
CONECT   37   27   60  129  130                                       
CONECT   38   57   42   33  131                                       
CONECT   39   34   43   58  132                                       
CONECT   40   72   35   44  133                                       
CONECT   41   45   73   36  134                                       
CONECT   42   46   38   74  135                                       
CONECT   43   75   39   47  136                                       
CONECT   44   40   76  137  138                                       
CONECT   45   77   41  139  140                                       
CONECT   46   78   42  141  142                                       
CONECT   47   43   79  143  144                                       
CONECT   48   80   81   49   51                                       
CONECT   49    6   48   50  145                                       
CONECT   50   49  146  147  148                                       
CONECT   51   48   52  149  150                                       
CONECT   52   53   51  151  152                                       
CONECT   53   54   55   52  153                                       
CONECT   54   81   53  154  155                                       
CONECT   55   53  156  157  158                                       
CONECT   56   58   25   73  159                                       
CONECT   57   18   38                                                 
CONECT   58   39   56                                                 
CONECT   59   28   22                                                 
CONECT   60   23   37                                                 
CONECT   61   24  160                                                 
CONECT   62   14    4                                                 
CONECT   63   25  161                                                 
CONECT   64   29  162                                                 
CONECT   65   30  163                                                 
CONECT   66   31  164                                                 
CONECT   67   32  165                                                 
CONECT   68   33  166                                                 
CONECT   69   34  167                                                 
CONECT   70   35  168                                                 
CONECT   71   36  169                                                 
CONECT   72   40   18                                                 
CONECT   73   56   41                                                 
CONECT   74   42   22                                                 
CONECT   75   23   43                                                 
CONECT   76   44  170                                                 
CONECT   77   45  171                                                 
CONECT   78   46  172                                                 
CONECT   79   47  173                                                 
CONECT   80    7   48                                                 
CONECT   81   54   48                                                 
CONECT   82    2                                                      
CONECT   83    2                                                      
CONECT   84    3                                                      
CONECT   85    3                                                      
CONECT   86    4                                                      
CONECT   87    5                                                      
CONECT   88    5                                                      
CONECT   89    5                                                      
CONECT   90    6                                                      
CONECT   91    7                                                      
CONECT   92    8                                                      
CONECT   93    9                                                      
CONECT   94   10                                                      
CONECT   95   11                                                      
CONECT   96   11                                                      
CONECT   97   12                                                      
CONECT   98   12                                                      
CONECT   99   13                                                      
CONECT  100   13                                                      
CONECT  101   14                                                      
CONECT  102   14                                                      
CONECT  103   16                                                      
CONECT  104   16                                                      
CONECT  105   17                                                      
CONECT  106   17                                                      
CONECT  107   18                                                      
CONECT  108   20                                                      
CONECT  109   20                                                      
CONECT  110   20                                                      
CONECT  111   21                                                      
CONECT  112   22                                                      
CONECT  113   23                                                      
CONECT  114   24                                                      
CONECT  115   25                                                      
CONECT  116   26                                                      
CONECT  117   26                                                      
CONECT  118   27                                                      
CONECT  119   28                                                      
CONECT  120   28                                                      
CONECT  121   29                                                      
CONECT  122   30                                                      
CONECT  123   31                                                      
CONECT  124   32                                                      
CONECT  125   33                                                      
CONECT  126   34                                                      
CONECT  127   35                                                      
CONECT  128   36                                                      
CONECT  129   37                                                      
CONECT  130   37                                                      
CONECT  131   38                                                      
CONECT  132   39                                                      
CONECT  133   40                                                      
CONECT  134   41                                                      
CONECT  135   42                                                      
CONECT  136   43                                                      
CONECT  137   44                                                      
CONECT  138   44                                                      
CONECT  139   45                                                      
CONECT  140   45                                                      
CONECT  141   46                                                      
CONECT  142   46                                                      
CONECT  143   47                                                      
CONECT  144   47                                                      
CONECT  145   49                                                      
CONECT  146   50                                                      
CONECT  147   50                                                      
CONECT  148   50                                                      
CONECT  149   51                                                      
CONECT  150   51                                                      
CONECT  151   52                                                      
CONECT  152   52                                                      
CONECT  153   53                                                      
CONECT  154   54                                                      
CONECT  155   54                                                      
CONECT  156   55                                                      
CONECT  157   55                                                      
CONECT  158   55                                                      
CONECT  159   56                                                      
CONECT  160   61                                                      
CONECT  161   63                                                      
CONECT  162   64                                                      
CONECT  163   65                                                      
CONECT  164   66                                                      
CONECT  165   67                                                      
CONECT  166   68                                                      
CONECT  167   69                                                      
CONECT  168   70                                                      
CONECT  169   71                                                      
CONECT  170   76                                                      
CONECT  171   77                                                      
CONECT  172   78                                                      
CONECT  173   79                                                      
MASTER        0    0    0    0    0    0    0    0  173    0  173    0
END
