COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.140 -11.138  -2.372  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.436 -12.005  -3.598  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.409 -11.676  -4.688  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.991  -9.701  -2.780  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.668 -10.253  -5.187  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.779  -9.310  -4.025  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.292 -11.265  -1.374  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.844 -11.616  -1.715  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.084  -8.707  -1.773  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.640  -7.833  -4.292  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.061  -7.835  -1.583  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.198  -6.778  -0.664  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.480  -6.615   0.110  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.170  -5.902  -0.474  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.519   8.020  -3.414  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.536   8.061  -4.525  1.00  0.00           C  
HETATM   17  C   UNL     1      14.854  -1.548   1.650  1.00  0.00           C  
HETATM   18  C   UNL     1      13.517  -1.197   1.050  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.472   6.612  -2.818  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.477   8.973  -4.518  1.00  0.00           C  
HETATM   21  C   UNL     1      15.556  -2.536   1.153  1.00  0.00           C  
HETATM   22  C   UNL     1      12.456  -1.165   2.152  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.439   6.570  -1.690  1.00  0.00           C  
HETATM   24  C   UNL     1      11.098  -0.809   1.543  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.391   5.162  -1.094  1.00  0.00           C  
HETATM   26  C   UNL     1      10.038  -0.777   2.646  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.359   5.120   0.034  1.00  0.00           C  
HETATM   28  C   UNL     1       8.680  -0.421   2.037  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.307  -4.848   0.443  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.311   3.712   0.631  1.00  0.00           C  
HETATM   31  C   UNL     1       7.619  -0.390   3.139  1.00  0.00           C  
HETATM   32  C   UNL     1       0.722   3.670   1.758  1.00  0.00           C  
HETATM   33  C   UNL     1       6.261  -0.034   2.530  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.280  -3.972   0.633  1.00  0.00           C  
HETATM   35  C   UNL     1       0.768   2.283   2.346  1.00  0.00           C  
HETATM   36  C   UNL     1       5.217  -0.003   3.615  1.00  0.00           C  
HETATM   37  C   UNL     1       1.600   0.652   3.872  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.416  -2.917   1.551  1.00  0.00           C  
HETATM   39  C   UNL     1       2.990   0.301   4.408  1.00  0.00           C  
HETATM   40  C   UNL     1       0.575   0.543   5.003  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.699  -2.754   2.326  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.391  -2.042   1.741  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.528  -0.982   2.663  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.689   0.954   3.802  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.699   0.762   4.952  1.00  0.00           C  
HETATM   46  C   UNL     1      15.113  -3.209  -0.120  1.00  0.00           C  
HETATM   47  C   UNL     1      16.271  -3.223  -1.120  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.444  10.082  -3.499  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.549  11.432  -4.211  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.515  12.559  -3.177  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.620  13.909  -3.889  1.00  0.00           C  
HETATM   52  C   UNL     1      -4.586  15.036  -2.855  1.00  0.00           C  
HETATM   53  C   UNL     1      -4.691  16.385  -3.567  1.00  0.00           C  
HETATM   54  C   UNL     1      -4.657  17.512  -2.533  1.00  0.00           C  
HETATM   55  C   UNL     1      -4.762  18.862  -3.245  1.00  0.00           C  
HETATM   56  C   UNL     1      15.821  -3.907  -2.412  1.00  0.00           C  
HETATM   57  C   UNL     1      16.979  -3.921  -3.412  1.00  0.00           C  
HETATM   58  C   UNL     1      16.528  -4.605  -4.704  1.00  0.00           C  
HETATM   59  C   UNL     1      17.687  -4.619  -5.704  1.00  0.00           C  
HETATM   60  C   UNL     1      17.236  -5.303  -6.997  1.00  0.00           C  
HETATM   61  C   UNL     1      18.394  -5.317  -7.996  1.00  0.00           C  
HETATM   62  N   UNL     1      -5.547  -0.146   2.845  1.00  0.00           N  
HETATM   63  O   UNL     1       1.609   2.010   3.356  1.00  0.00           O  
HETATM   64  O   UNL     1       3.942   0.290   3.312  1.00  0.00           O  
HETATM   65  O   UNL     1       0.049   1.416   1.907  1.00  0.00           O  
HETATM   66  O   UNL     1       5.526  -0.241   4.759  1.00  0.00           O  
HETATM   67  O   UNL     1      -0.737   0.757   4.478  1.00  0.00           O  
HETATM   68  O   UNL     1      -3.364   0.865   4.453  1.00  0.00           O  
HETATM   69  O   UNL     1      -2.124  -0.576   6.113  1.00  0.00           O  
HETATM   70  O   UNL     1      -2.023   1.923   6.452  1.00  0.00           O  
HETATM   71  P   UNL     1      -2.063   0.714   5.390  1.00  0.00           P  
HETATM   72  H   UNL     1     -10.360 -13.058  -3.329  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.441 -11.792  -3.962  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.403 -11.741  -4.273  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.514 -12.379  -5.514  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.845  -9.940  -5.830  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.598 -10.233  -5.755  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.196 -10.835  -1.805  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.463 -12.318  -1.148  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.039 -10.734  -0.457  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.637 -11.007  -0.834  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.950 -12.659  -1.418  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.021 -11.521  -2.423  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.969  -8.644  -1.156  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.590  -7.548  -4.217  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.007  -7.609  -5.293  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.221  -7.275  -3.558  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.142  -7.952  -2.138  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.163  -5.975  -0.449  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.940  -7.591   0.263  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.265  -6.160   1.077  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.251  -6.019  -1.029  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.538   8.280  -3.810  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.799   8.734  -2.639  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.490   7.340  -5.327  1.00  0.00           H  
HETATM   96  H   UNL     1      15.234  -0.984   2.490  1.00  0.00           H  
HETATM   97  H   UNL     1      13.577  -0.217   0.576  1.00  0.00           H  
HETATM   98  H   UNL     1      13.245  -1.945   0.306  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.453   6.352  -2.421  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.192   5.898  -3.593  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.277   8.929  -5.242  1.00  0.00           H  
HETATM  102  H   UNL     1      16.453  -2.868   1.656  1.00  0.00           H  
HETATM  103  H   UNL     1      12.396  -2.145   2.627  1.00  0.00           H  
HETATM  104  H   UNL     1      12.728  -0.417   2.897  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.457   6.830  -2.086  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.718   7.284  -0.914  1.00  0.00           H  
HETATM  107  H   UNL     1      11.159   0.170   1.069  1.00  0.00           H  
HETATM  108  H   UNL     1      10.827  -1.557   0.799  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.373   4.902  -0.697  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.112   4.448  -1.869  1.00  0.00           H  
HETATM  111  H   UNL     1       9.977  -1.757   3.120  1.00  0.00           H  
HETATM  112  H   UNL     1      10.309  -0.029   3.390  1.00  0.00           H  
HETATM  113  H   UNL     1       0.623   5.380  -0.362  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.638   5.833   0.810  1.00  0.00           H  
HETATM  115  H   UNL     1       8.740   0.558   1.562  1.00  0.00           H  
HETATM  116  H   UNL     1       8.408  -1.170   1.292  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.226  -4.731   0.998  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.293   3.452   1.027  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.032   2.998  -0.145  1.00  0.00           H  
HETATM  120  H   UNL     1       7.559  -1.369   3.613  1.00  0.00           H  
HETATM  121  H   UNL     1       7.891   0.358   3.883  1.00  0.00           H  
HETATM  122  H   UNL     1       1.703   3.930   1.362  1.00  0.00           H  
HETATM  123  H   UNL     1       0.442   4.383   2.534  1.00  0.00           H  
HETATM  124  H   UNL     1       6.322   0.946   2.055  1.00  0.00           H  
HETATM  125  H   UNL     1       5.990  -0.782   1.785  1.00  0.00           H  
HETATM  126  H   UNL     1      -6.360  -4.089   0.079  1.00  0.00           H  
HETATM  127  H   UNL     1       1.334  -0.039   3.072  1.00  0.00           H  
HETATM  128  H   UNL     1       3.293   1.045   5.145  1.00  0.00           H  
HETATM  129  H   UNL     1       2.961  -0.683   4.875  1.00  0.00           H  
HETATM  130  H   UNL     1       0.631  -0.450   5.449  1.00  0.00           H  
HETATM  131  H   UNL     1       0.790   1.295   5.762  1.00  0.00           H  
HETATM  132  H   UNL     1      -8.634  -3.315   3.258  1.00  0.00           H  
HETATM  133  H   UNL     1      -8.858  -1.698   2.547  1.00  0.00           H  
HETATM  134  H   UNL     1      -9.532  -3.130   1.732  1.00  0.00           H  
HETATM  135  H   UNL     1      -5.471  -2.159   1.186  1.00  0.00           H  
HETATM  136  H   UNL     1      -7.447  -0.865   3.218  1.00  0.00           H  
HETATM  137  H   UNL     1      -6.706   0.964   4.196  1.00  0.00           H  
HETATM  138  H   UNL     1      -4.865   1.529   5.707  1.00  0.00           H  
HETATM  139  H   UNL     1      14.808  -4.233   0.098  1.00  0.00           H  
HETATM  140  H   UNL     1      14.271  -2.663  -0.546  1.00  0.00           H  
HETATM  141  H   UNL     1      16.575  -2.200  -1.337  1.00  0.00           H  
HETATM  142  H   UNL     1      17.112  -3.770  -0.693  1.00  0.00           H  
HETATM  143  H   UNL     1      -5.282   9.969  -2.810  1.00  0.00           H  
HETATM  144  H   UNL     1      -3.508  10.037  -2.943  1.00  0.00           H  
HETATM  145  H   UNL     1      -3.712  11.546  -4.900  1.00  0.00           H  
HETATM  146  H   UNL     1      -5.485  11.478  -4.767  1.00  0.00           H  
HETATM  147  H   UNL     1      -5.353  12.446  -2.488  1.00  0.00           H  
HETATM  148  H   UNL     1      -3.579  12.514  -2.620  1.00  0.00           H  
HETATM  149  H   UNL     1      -3.783  14.023  -4.577  1.00  0.00           H  
HETATM  150  H   UNL     1      -5.556  13.954  -4.445  1.00  0.00           H  
HETATM  151  H   UNL     1      -5.424  14.922  -2.166  1.00  0.00           H  
HETATM  152  H   UNL     1      -3.650  14.990  -2.298  1.00  0.00           H  
HETATM  153  H   UNL     1      -3.854  16.499  -4.255  1.00  0.00           H  
HETATM  154  H   UNL     1      -5.627  16.431  -4.123  1.00  0.00           H  
HETATM  155  H   UNL     1      -5.495  17.399  -1.844  1.00  0.00           H  
HETATM  156  H   UNL     1      -3.721  17.467  -1.976  1.00  0.00           H  
HETATM  157  H   UNL     1      -3.925  18.976  -3.933  1.00  0.00           H  
HETATM  158  H   UNL     1      -5.698  18.908  -3.801  1.00  0.00           H  
HETATM  159  H   UNL     1      -4.738  19.665  -2.508  1.00  0.00           H  
HETATM  160  H   UNL     1      15.516  -4.931  -2.194  1.00  0.00           H  
HETATM  161  H   UNL     1      14.979  -3.361  -2.838  1.00  0.00           H  
HETATM  162  H   UNL     1      17.283  -2.897  -3.629  1.00  0.00           H  
HETATM  163  H   UNL     1      17.820  -4.468  -2.986  1.00  0.00           H  
HETATM  164  H   UNL     1      16.224  -5.629  -4.487  1.00  0.00           H  
HETATM  165  H   UNL     1      15.687  -4.058  -5.130  1.00  0.00           H  
HETATM  166  H   UNL     1      17.991  -3.595  -5.922  1.00  0.00           H  
HETATM  167  H   UNL     1      18.528  -5.165  -5.278  1.00  0.00           H  
HETATM  168  H   UNL     1      16.932  -6.326  -6.779  1.00  0.00           H  
HETATM  169  H   UNL     1      16.395  -4.756  -7.423  1.00  0.00           H  
HETATM  170  H   UNL     1      18.074  -5.804  -8.917  1.00  0.00           H  
HETATM  171  H   UNL     1      18.699  -4.293  -8.214  1.00  0.00           H  
HETATM  172  H   UNL     1      19.236  -5.863  -7.570  1.00  0.00           H  
HETATM  173  H   UNL     1      -1.983   2.801   6.048  1.00  0.00           H  
HETATM  174  H   UNL     1      -5.485   1.901   3.301  1.00  0.00           H  
HETATM  175  H   UNL     1      -4.845  -0.223   5.396  1.00  0.00           H  
CONECT    1    7    4    8    2                                       
CONECT    2    1    3   72   73                                       
CONECT    3    5    2   74   75                                       
CONECT    4    9    1    6    6                                       
CONECT    5    3    6   76   77                                       
CONECT    6    4    4   10    5                                       
CONECT    7    1   78   79   80                                       
CONECT    8    1   81   82   83                                       
CONECT    9   11   11    4   84                                       
CONECT   10    6   85   86   87                                       
CONECT   11   12    9    9   88                                       
CONECT   12   13   14   14   11                                       
CONECT   13   12   89   90   91                                       
CONECT   14   29   12   12   92                                       
CONECT   15   19   16   93   94                                       
CONECT   16   15   20   20   95                                       
CONECT   17   18   21   21   96                                       
CONECT   18   22   17   97   98                                       
CONECT   19   23   15   99  100                                       
CONECT   20   16   16   48  101                                       
CONECT   21   17   17   46  102                                       
CONECT   22   18   24  103  104                                       
CONECT   23   19   25  105  106                                       
CONECT   24   22   26  107  108                                       
CONECT   25   23   27  109  110                                       
CONECT   26   28   24  111  112                                       
CONECT   27   25   30  113  114                                       
CONECT   28   31   26  115  116                                       
CONECT   29   34   34   14  117                                       
CONECT   30   32   27  118  119                                       
CONECT   31   33   28  120  121                                       
CONECT   32   35   30  122  123                                       
CONECT   33   36   31  124  125                                       
CONECT   34   29   29   38  126                                       
CONECT   35   65   65   63   32                                       
CONECT   36   66   66   64   33                                       
CONECT   37   40   63   39  127                                       
CONECT   38   41   34   42   42                                       
CONECT   39   37   64  128  129                                       
CONECT   40   67   37  130  131                                       
CONECT   41   38  132  133  134                                       
CONECT   42   38   38   43  135                                       
CONECT   43   62   62   42  136                                       
CONECT   44   62   45  137  174                                       
CONECT   45   44   68  138  175                                       
CONECT   46   21   47  139  140                                       
CONECT   47   46   56  141  142                                       
CONECT   48   20   49  143  144                                       
CONECT   49   48   50  145  146                                       
CONECT   50   49   51  147  148                                       
CONECT   51   50   52  149  150                                       
CONECT   52   51   53  151  152                                       
CONECT   53   52   54  153  154                                       
CONECT   54   53   55  155  156                                       
CONECT   55   54  157  158  159                                       
CONECT   56   47   57  160  161                                       
CONECT   57   56   58  162  163                                       
CONECT   58   57   59  164  165                                       
CONECT   59   58   60  166  167                                       
CONECT   60   59   61  168  169                                       
CONECT   61   60  170  171  172                                       
CONECT   62   44   43   43                                            
CONECT   63   37   35                                                 
CONECT   64   39   36                                                 
CONECT   65   35   35                                                 
CONECT   66   36   36                                                 
CONECT   67   71   40                                                 
CONECT   68   45   71                                                 
CONECT   69   71   71                                                 
CONECT   70   71  173                                                 
CONECT   71   68   69   69   70                                       
CONECT   71   67                                                      
CONECT   72    2                                                      
CONECT   73    2                                                      
CONECT   74    3                                                      
CONECT   75    3                                                      
CONECT   76    5                                                      
CONECT   77    5                                                      
CONECT   78    7                                                      
CONECT   79    7                                                      
CONECT   80    7                                                      
CONECT   81    8                                                      
CONECT   82    8                                                      
CONECT   83    8                                                      
CONECT   84    9                                                      
CONECT   85   10                                                      
CONECT   86   10                                                      
CONECT   87   10                                                      
CONECT   88   11                                                      
CONECT   89   13                                                      
CONECT   90   13                                                      
CONECT   91   13                                                      
CONECT   92   14                                                      
CONECT   93   15                                                      
CONECT   94   15                                                      
CONECT   95   16                                                      
CONECT   96   17                                                      
CONECT   97   18                                                      
CONECT   98   18                                                      
CONECT   99   19                                                      
CONECT  100   19                                                      
CONECT  101   20                                                      
CONECT  102   21                                                      
CONECT  103   22                                                      
CONECT  104   22                                                      
CONECT  105   23                                                      
CONECT  106   23                                                      
CONECT  107   24                                                      
CONECT  108   24                                                      
CONECT  109   25                                                      
CONECT  110   25                                                      
CONECT  111   26                                                      
CONECT  112   26                                                      
CONECT  113   27                                                      
CONECT  114   27                                                      
CONECT  115   28                                                      
CONECT  116   28                                                      
CONECT  117   29                                                      
CONECT  118   30                                                      
CONECT  119   30                                                      
CONECT  120   31                                                      
CONECT  121   31                                                      
CONECT  122   32                                                      
CONECT  123   32                                                      
CONECT  124   33                                                      
CONECT  125   33                                                      
CONECT  126   34                                                      
CONECT  127   37                                                      
CONECT  128   39                                                      
CONECT  129   39                                                      
CONECT  130   40                                                      
CONECT  131   40                                                      
CONECT  132   41                                                      
CONECT  133   41                                                      
CONECT  134   41                                                      
CONECT  135   42                                                      
CONECT  136   43                                                      
CONECT  137   44                                                      
CONECT  138   45                                                      
CONECT  139   46                                                      
CONECT  140   46                                                      
CONECT  141   47                                                      
CONECT  142   47                                                      
CONECT  143   48                                                      
CONECT  144   48                                                      
CONECT  145   49                                                      
CONECT  146   49                                                      
CONECT  147   50                                                      
CONECT  148   50                                                      
CONECT  149   51                                                      
CONECT  150   51                                                      
CONECT  151   52                                                      
CONECT  152   52                                                      
CONECT  153   53                                                      
CONECT  154   53                                                      
CONECT  155   54                                                      
CONECT  156   54                                                      
CONECT  157   55                                                      
CONECT  158   55                                                      
CONECT  159   55                                                      
CONECT  160   56                                                      
CONECT  161   56                                                      
CONECT  162   57                                                      
CONECT  163   57                                                      
CONECT  164   58                                                      
CONECT  165   58                                                      
CONECT  166   59                                                      
CONECT  167   59                                                      
CONECT  168   60                                                      
CONECT  169   60                                                      
CONECT  170   61                                                      
CONECT  171   61                                                      
CONECT  172   61                                                      
CONECT  173   70                                                      
CONECT  174   44                                                      
CONECT  175   45                                                      
MASTER        0    0    0    0    0    0    0    0  175    0  175    0
END
