COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      17.551  15.054  -2.064  1.00  0.00           C  
HETATM    2  C   UNL     1      17.428  13.565  -2.391  1.00  0.00           C  
HETATM    3  C   UNL     1      16.530  12.888  -1.353  1.00  0.00           C  
HETATM    4  C   UNL     1      16.407  11.398  -1.679  1.00  0.00           C  
HETATM    5  C   UNL     1      15.509  10.721  -0.642  1.00  0.00           C  
HETATM    6  C   UNL     1      15.386   9.231  -0.968  1.00  0.00           C  
HETATM    7  C   UNL     1      14.488   8.554   0.070  1.00  0.00           C  
HETATM    8  C   UNL     1      14.365   7.065  -0.257  1.00  0.00           C  
HETATM    9  C   UNL     1      13.467   6.388   0.781  1.00  0.00           C  
HETATM   10  C   UNL     1      13.344   4.898   0.454  1.00  0.00           C  
HETATM   11  C   UNL     1      12.446   4.221   1.492  1.00  0.00           C  
HETATM   12  C   UNL     1      13.080   3.150   2.383  1.00  0.00           C  
HETATM   13  C   UNL     1      12.103   2.746   1.275  1.00  0.00           C  
HETATM   14  C   UNL     1      10.711   2.275   1.698  1.00  0.00           C  
HETATM   15  C   UNL     1      10.520   0.813   1.288  1.00  0.00           C  
HETATM   16  C   UNL     1       9.128   0.342   1.711  1.00  0.00           C  
HETATM   17  C   UNL     1       8.937  -1.120   1.301  1.00  0.00           C  
HETATM   18  C   UNL     1       7.545  -1.591   1.724  1.00  0.00           C  
HETATM   19  C   UNL     1       7.354  -3.053   1.313  1.00  0.00           C  
HETATM   20  C   UNL     1       5.962  -3.524   1.737  1.00  0.00           C  
HETATM   21  C   UNL     1       5.771  -4.986   1.326  1.00  0.00           C  
HETATM   22  O   UNL     1       6.686  -5.808   2.054  1.00  0.00           O  
HETATM   23  C   UNL     1       4.338  -5.420   1.636  1.00  0.00           C  
HETATM   24  C   UNL     1       4.162  -6.896   1.275  1.00  0.00           C  
HETATM   25  O   UNL     1       4.523  -7.098  -0.093  1.00  0.00           O  
HETATM   26  C   UNL     1       4.395  -8.450  -0.535  1.00  0.00           C  
HETATM   27  O   UNL     1       3.011  -8.797  -0.614  1.00  0.00           O  
HETATM   28  C   UNL     1       2.251  -7.969  -1.497  1.00  0.00           C  
HETATM   29  C   UNL     1       0.787  -8.412  -1.479  1.00  0.00           C  
HETATM   30  O   UNL     1       0.236  -8.184  -0.180  1.00  0.00           O  
HETATM   31  C   UNL     1       2.806  -8.098  -2.918  1.00  0.00           C  
HETATM   32  O   UNL     1       2.665  -9.448  -3.365  1.00  0.00           O  
HETATM   33  C   UNL     1       4.288  -7.711  -2.917  1.00  0.00           C  
HETATM   34  O   UNL     1       4.832  -7.897  -4.225  1.00  0.00           O  
HETATM   35  C   UNL     1       5.036  -8.599  -1.918  1.00  0.00           C  
HETATM   36  O   UNL     1       6.406  -8.198  -1.854  1.00  0.00           O  
HETATM   37  N   UNL     1       3.402  -4.610   0.852  1.00  0.00           N  
HETATM   38  C   UNL     1       2.138  -4.433   1.285  1.00  0.00           C  
HETATM   39  O   UNL     1       1.775  -4.944   2.324  1.00  0.00           O  
HETATM   40  C   UNL     1       1.175  -3.600   0.478  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.181  -3.559   1.186  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.158  -2.714   0.367  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.514  -2.673   1.075  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.492  -1.828   0.256  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.848  -1.787   0.963  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.825  -0.941   0.144  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.181  -0.900   0.852  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.158  -0.055   0.033  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.514  -0.014   0.741  1.00  0.00           C  
HETATM   50  C   UNL     1     -10.492   0.831  -0.078  1.00  0.00           C  
HETATM   51  C   UNL     1     -11.848   0.872   0.629  1.00  0.00           C  
HETATM   52  C   UNL     1     -12.825   1.718  -0.190  1.00  0.00           C  
HETATM   53  C   UNL     1     -14.181   1.758   0.518  1.00  0.00           C  
HETATM   54  C   UNL     1     -15.158   2.604  -0.301  1.00  0.00           C  
HETATM   55  C   UNL     1     -16.514   2.645   0.407  1.00  0.00           C  
HETATM   56  C   UNL     1     -17.492   3.490  -0.412  1.00  0.00           C  
HETATM   57  C   UNL     1     -18.848   3.531   0.295  1.00  0.00           C  
HETATM   58  C   UNL     1     -19.825   4.377  -0.524  1.00  0.00           C  
HETATM   59  C   UNL     1     -21.181   4.418   0.184  1.00  0.00           C  
HETATM   60  C   UNL     1     -22.159   5.263  -0.635  1.00  0.00           C  
HETATM   61  C   UNL     1     -23.514   5.304   0.073  1.00  0.00           C  
HETATM   62  C   UNL     1     -24.492   6.149  -0.746  1.00  0.00           C  
HETATM   63  C   UNL     1     -25.848   6.190  -0.039  1.00  0.00           C  
HETATM   64  C   UNL     1     -26.825   7.036  -0.858  1.00  0.00           C  
HETATM   65  H   UNL     1      16.563  15.514  -2.083  1.00  0.00           H  
HETATM   66  H   UNL     1      17.988  15.174  -1.073  1.00  0.00           H  
HETATM   67  H   UNL     1      18.191  15.536  -2.804  1.00  0.00           H  
HETATM   68  H   UNL     1      16.990  13.445  -3.382  1.00  0.00           H  
HETATM   69  H   UNL     1      18.416  13.105  -2.372  1.00  0.00           H  
HETATM   70  H   UNL     1      16.967  13.007  -0.361  1.00  0.00           H  
HETATM   71  H   UNL     1      15.542  13.347  -1.372  1.00  0.00           H  
HETATM   72  H   UNL     1      15.969  11.279  -2.671  1.00  0.00           H  
HETATM   73  H   UNL     1      17.395  10.939  -1.660  1.00  0.00           H  
HETATM   74  H   UNL     1      15.946  10.841   0.350  1.00  0.00           H  
HETATM   75  H   UNL     1      14.521  11.181  -0.661  1.00  0.00           H  
HETATM   76  H   UNL     1      14.948   9.112  -1.960  1.00  0.00           H  
HETATM   77  H   UNL     1      16.374   8.772  -0.949  1.00  0.00           H  
HETATM   78  H   UNL     1      14.925   8.674   1.061  1.00  0.00           H  
HETATM   79  H   UNL     1      13.500   9.014   0.051  1.00  0.00           H  
HETATM   80  H   UNL     1      13.927   6.945  -1.248  1.00  0.00           H  
HETATM   81  H   UNL     1      15.353   6.606  -0.238  1.00  0.00           H  
HETATM   82  H   UNL     1      13.904   6.508   1.772  1.00  0.00           H  
HETATM   83  H   UNL     1      12.479   6.847   0.762  1.00  0.00           H  
HETATM   84  H   UNL     1      12.906   4.779  -0.537  1.00  0.00           H  
HETATM   85  H   UNL     1      14.332   4.439   0.474  1.00  0.00           H  
HETATM   86  H   UNL     1      11.679   4.856   1.936  1.00  0.00           H  
HETATM   87  H   UNL     1      14.135   2.928   2.229  1.00  0.00           H  
HETATM   88  H   UNL     1      12.729   3.081   3.413  1.00  0.00           H  
HETATM   89  H   UNL     1      12.517   2.257   0.393  1.00  0.00           H  
HETATM   90  H   UNL     1      10.610   2.365   2.780  1.00  0.00           H  
HETATM   91  H   UNL     1       9.955   2.891   1.211  1.00  0.00           H  
HETATM   92  H   UNL     1      10.621   0.724   0.206  1.00  0.00           H  
HETATM   93  H   UNL     1      11.276   0.198   1.776  1.00  0.00           H  
HETATM   94  H   UNL     1       9.027   0.432   2.793  1.00  0.00           H  
HETATM   95  H   UNL     1       8.372   0.958   1.223  1.00  0.00           H  
HETATM   96  H   UNL     1       9.038  -1.209   0.219  1.00  0.00           H  
HETATM   97  H   UNL     1       9.693  -1.735   1.788  1.00  0.00           H  
HETATM   98  H   UNL     1       7.444  -1.501   2.805  1.00  0.00           H  
HETATM   99  H   UNL     1       6.789  -0.975   1.236  1.00  0.00           H  
HETATM  100  H   UNL     1       7.455  -3.142   0.232  1.00  0.00           H  
HETATM  101  H   UNL     1       8.110  -3.668   1.801  1.00  0.00           H  
HETATM  102  H   UNL     1       5.861  -3.434   2.818  1.00  0.00           H  
HETATM  103  H   UNL     1       5.206  -2.908   1.249  1.00  0.00           H  
HETATM  104  H   UNL     1       5.960  -5.090   0.258  1.00  0.00           H  
HETATM  105  H   UNL     1       6.583  -5.756   3.014  1.00  0.00           H  
HETATM  106  H   UNL     1       4.137  -5.280   2.699  1.00  0.00           H  
HETATM  107  H   UNL     1       4.802  -7.505   1.913  1.00  0.00           H  
HETATM  108  H   UNL     1       3.122  -7.185   1.422  1.00  0.00           H  
HETATM  109  H   UNL     1       4.896  -9.113   0.171  1.00  0.00           H  
HETATM  110  H   UNL     1       2.321  -6.931  -1.173  1.00  0.00           H  
HETATM  111  H   UNL     1       0.225  -7.840  -2.218  1.00  0.00           H  
HETATM  112  H   UNL     1       0.726  -9.474  -1.718  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.692  -8.442  -0.095  1.00  0.00           H  
HETATM  114  H   UNL     1       2.257  -7.434  -3.586  1.00  0.00           H  
HETATM  115  H   UNL     1       2.997  -9.603  -4.260  1.00  0.00           H  
HETATM  116  H   UNL     1       4.391  -6.666  -2.624  1.00  0.00           H  
HETATM  117  H   UNL     1       5.770  -7.670  -4.297  1.00  0.00           H  
HETATM  118  H   UNL     1       4.974  -9.639  -2.238  1.00  0.00           H  
HETATM  119  H   UNL     1       6.939  -8.716  -1.236  1.00  0.00           H  
HETATM  120  H   UNL     1       3.692  -4.202   0.021  1.00  0.00           H  
HETATM  121  H   UNL     1       1.564  -2.587   0.380  1.00  0.00           H  
HETATM  122  H   UNL     1       1.055  -4.041  -0.512  1.00  0.00           H  
HETATM  123  H   UNL     1      -0.571  -4.573   1.284  1.00  0.00           H  
HETATM  124  H   UNL     1      -0.061  -3.119   2.176  1.00  0.00           H  
HETATM  125  H   UNL     1      -0.769  -1.701   0.269  1.00  0.00           H  
HETATM  126  H   UNL     1      -1.278  -3.154  -0.623  1.00  0.00           H  
HETATM  127  H   UNL     1      -2.904  -3.686   1.172  1.00  0.00           H  
HETATM  128  H   UNL     1      -2.394  -2.233   2.065  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.102  -0.814   0.158  1.00  0.00           H  
HETATM  130  H   UNL     1      -3.612  -2.268  -0.734  1.00  0.00           H  
HETATM  131  H   UNL     1      -5.237  -2.800   1.061  1.00  0.00           H  
HETATM  132  H   UNL     1      -4.728  -1.347   1.953  1.00  0.00           H  
HETATM  133  H   UNL     1      -5.436   0.072   0.047  1.00  0.00           H  
HETATM  134  H   UNL     1      -5.945  -1.382  -0.846  1.00  0.00           H  
HETATM  135  H   UNL     1      -7.571  -1.914   0.950  1.00  0.00           H  
HETATM  136  H   UNL     1      -7.061  -0.460   1.842  1.00  0.00           H  
HETATM  137  H   UNL     1      -7.769   0.958  -0.065  1.00  0.00           H  
HETATM  138  H   UNL     1      -8.278  -0.495  -0.957  1.00  0.00           H  
HETATM  139  H   UNL     1      -9.904  -1.027   0.838  1.00  0.00           H  
HETATM  140  H   UNL     1      -9.394   0.426   1.730  1.00  0.00           H  
HETATM  141  H   UNL     1     -10.102   1.845  -0.176  1.00  0.00           H  
HETATM  142  H   UNL     1     -10.612   0.391  -1.068  1.00  0.00           H  
HETATM  143  H   UNL     1     -12.237  -0.141   0.727  1.00  0.00           H  
HETATM  144  H   UNL     1     -11.728   1.312   1.619  1.00  0.00           H  
HETATM  145  H   UNL     1     -12.436   2.731  -0.287  1.00  0.00           H  
HETATM  146  H   UNL     1     -12.945   1.277  -1.180  1.00  0.00           H  
HETATM  147  H   UNL     1     -14.571   0.745   0.616  1.00  0.00           H  
HETATM  148  H   UNL     1     -14.061   2.199   1.508  1.00  0.00           H  
HETATM  149  H   UNL     1     -14.769   3.617  -0.399  1.00  0.00           H  
HETATM  150  H   UNL     1     -15.278   2.164  -1.291  1.00  0.00           H  
HETATM  151  H   UNL     1     -16.904   1.632   0.504  1.00  0.00           H  
HETATM  152  H   UNL     1     -16.394   3.085   1.396  1.00  0.00           H  
HETATM  153  H   UNL     1     -17.102   4.503  -0.510  1.00  0.00           H  
HETATM  154  H   UNL     1     -17.612   3.050  -1.402  1.00  0.00           H  
HETATM  155  H   UNL     1     -19.237   2.518   0.393  1.00  0.00           H  
HETATM  156  H   UNL     1     -18.728   3.971   1.285  1.00  0.00           H  
HETATM  157  H   UNL     1     -19.436   5.390  -0.622  1.00  0.00           H  
HETATM  158  H   UNL     1     -19.945   3.936  -1.514  1.00  0.00           H  
HETATM  159  H   UNL     1     -21.571   3.404   0.282  1.00  0.00           H  
HETATM  160  H   UNL     1     -21.061   4.858   1.174  1.00  0.00           H  
HETATM  161  H   UNL     1     -21.769   6.276  -0.733  1.00  0.00           H  
HETATM  162  H   UNL     1     -22.278   4.823  -1.625  1.00  0.00           H  
HETATM  163  H   UNL     1     -23.904   4.291   0.170  1.00  0.00           H  
HETATM  164  H   UNL     1     -23.394   5.744   1.062  1.00  0.00           H  
HETATM  165  H   UNL     1     -24.102   7.162  -0.844  1.00  0.00           H  
HETATM  166  H   UNL     1     -24.612   5.709  -1.736  1.00  0.00           H  
HETATM  167  H   UNL     1     -26.237   5.177   0.059  1.00  0.00           H  
HETATM  168  H   UNL     1     -25.728   6.630   0.951  1.00  0.00           H  
HETATM  169  H   UNL     1     -26.945   6.595  -1.848  1.00  0.00           H  
HETATM  170  H   UNL     1     -27.791   7.065  -0.354  1.00  0.00           H  
HETATM  171  H   UNL     1     -26.436   8.049  -0.956  1.00  0.00           H  
CONECT    1    2   65   66   67                                       
CONECT    2    1    3   68   69                                       
CONECT    3    2    4   70   71                                       
CONECT    4    3    5   72   73                                       
CONECT    5    4    6   74   75                                       
CONECT    6    5    7   76   77                                       
CONECT    7    6    8   78   79                                       
CONECT    8    7    9   80   81                                       
CONECT    9    8   10   82   83                                       
CONECT   10    9   11   84   85                                       
CONECT   11   13   12   10   86                                       
CONECT   12   13   11   87   88                                       
CONECT   13   12   14   11   89                                       
CONECT   14   13   15   90   91                                       
CONECT   15   14   16   92   93                                       
CONECT   16   15   17   94   95                                       
CONECT   17   18   16   96   97                                       
CONECT   18   19   17   98   99                                       
CONECT   19   20   18  100  101                                       
CONECT   20   21   19  102  103                                       
CONECT   21   22   23   20  104                                       
CONECT   22   21  105                                                 
CONECT   23   24   21   37  106                                       
CONECT   24   25   23  107  108                                       
CONECT   25   26   24                                                 
CONECT   26   35   27   25  109                                       
CONECT   27   26   28                                                 
CONECT   28   27   31   29  110                                       
CONECT   29   28   30  111  112                                       
CONECT   30   29  113                                                 
CONECT   31   32   33   28  114                                       
CONECT   32   31  115                                                 
CONECT   33   35   34   31  116                                       
CONECT   34   33  117                                                 
CONECT   35   36   26   33  118                                       
CONECT   36   35  119                                                 
CONECT   37   23   38  120                                            
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41  121  122                                       
CONECT   41   40   42  123  124                                       
CONECT   42   41   43  125  126                                       
CONECT   43   42   44  127  128                                       
CONECT   44   43   45  129  130                                       
CONECT   45   44   46  131  132                                       
CONECT   46   45   47  133  134                                       
CONECT   47   48   46  135  136                                       
CONECT   48   47   49  137  138                                       
CONECT   49   48   50  139  140                                       
CONECT   50   51   49  141  142                                       
CONECT   51   50   52  143  144                                       
CONECT   52   51   53  145  146                                       
CONECT   53   52   54  147  148                                       
CONECT   54   53   55  149  150                                       
CONECT   55   54   56  151  152                                       
CONECT   56   55   57  153  154                                       
CONECT   57   56   58  155  156                                       
CONECT   58   57   59  157  158                                       
CONECT   59   60   58  159  160                                       
CONECT   60   59   61  161  162                                       
CONECT   61   60   62  163  164                                       
CONECT   62   63   61  165  166                                       
CONECT   63   64   62  167  168                                       
CONECT   64   63  169  170  171                                       
CONECT   65    1                                                      
CONECT   66    1                                                      
CONECT   67    1                                                      
CONECT   68    2                                                      
CONECT   69    2                                                      
CONECT   70    3                                                      
CONECT   71    3                                                      
CONECT   72    4                                                      
CONECT   73    4                                                      
CONECT   74    5                                                      
CONECT   75    5                                                      
CONECT   76    6                                                      
CONECT   77    6                                                      
CONECT   78    7                                                      
CONECT   79    7                                                      
CONECT   80    8                                                      
CONECT   81    8                                                      
CONECT   82    9                                                      
CONECT   83    9                                                      
CONECT   84   10                                                      
CONECT   85   10                                                      
CONECT   86   11                                                      
CONECT   87   12                                                      
CONECT   88   12                                                      
CONECT   89   13                                                      
CONECT   90   14                                                      
CONECT   91   14                                                      
CONECT   92   15                                                      
CONECT   93   15                                                      
CONECT   94   16                                                      
CONECT   95   16                                                      
CONECT   96   17                                                      
CONECT   97   17                                                      
CONECT   98   18                                                      
CONECT   99   18                                                      
CONECT  100   19                                                      
CONECT  101   19                                                      
CONECT  102   20                                                      
CONECT  103   20                                                      
CONECT  104   21                                                      
CONECT  105   22                                                      
CONECT  106   23                                                      
CONECT  107   24                                                      
CONECT  108   24                                                      
CONECT  109   26                                                      
CONECT  110   28                                                      
CONECT  111   29                                                      
CONECT  112   29                                                      
CONECT  113   30                                                      
CONECT  114   31                                                      
CONECT  115   32                                                      
CONECT  116   33                                                      
CONECT  117   34                                                      
CONECT  118   35                                                      
CONECT  119   36                                                      
CONECT  120   37                                                      
CONECT  121   40                                                      
CONECT  122   40                                                      
CONECT  123   41                                                      
CONECT  124   41                                                      
CONECT  125   42                                                      
CONECT  126   42                                                      
CONECT  127   43                                                      
CONECT  128   43                                                      
CONECT  129   44                                                      
CONECT  130   44                                                      
CONECT  131   45                                                      
CONECT  132   45                                                      
CONECT  133   46                                                      
CONECT  134   46                                                      
CONECT  135   47                                                      
CONECT  136   47                                                      
CONECT  137   48                                                      
CONECT  138   48                                                      
CONECT  139   49                                                      
CONECT  140   49                                                      
CONECT  141   50                                                      
CONECT  142   50                                                      
CONECT  143   51                                                      
CONECT  144   51                                                      
CONECT  145   52                                                      
CONECT  146   52                                                      
CONECT  147   53                                                      
CONECT  148   53                                                      
CONECT  149   54                                                      
CONECT  150   54                                                      
CONECT  151   55                                                      
CONECT  152   55                                                      
CONECT  153   56                                                      
CONECT  154   56                                                      
CONECT  155   57                                                      
CONECT  156   57                                                      
CONECT  157   58                                                      
CONECT  158   58                                                      
CONECT  159   59                                                      
CONECT  160   59                                                      
CONECT  161   60                                                      
CONECT  162   60                                                      
CONECT  163   61                                                      
CONECT  164   61                                                      
CONECT  165   62                                                      
CONECT  166   62                                                      
CONECT  167   63                                                      
CONECT  168   63                                                      
CONECT  169   64                                                      
CONECT  170   64                                                      
CONECT  171   64                                                      
MASTER        0    0    0    0    0    0    0    0  171    0  171    0
END
