COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -15.169  -4.503   1.332  1.00  0.00           O  
HETATM    2  C   UNL     1     -14.472  -3.917   0.520  1.00  0.00           C  
HETATM    3  C   UNL     1     -13.015  -4.084   0.524  1.00  0.00           C  
HETATM    4  N   UNL     1     -12.145  -4.797   1.276  1.00  0.00           N  
HETATM    5  C   UNL     1     -10.934  -4.582   0.847  1.00  0.00           C  
HETATM    6  N   UNL     1     -15.023  -3.109  -0.400  1.00  0.00           N  
HETATM    7  C   UNL     1     -14.284  -2.471  -1.281  1.00  0.00           C  
HETATM    8  N   UNL     1     -14.902  -1.660  -2.195  1.00  0.00           N  
HETATM    9  N   UNL     1     -12.930  -2.585  -1.319  1.00  0.00           N  
HETATM   10  C   UNL     1     -12.274  -3.390  -0.424  1.00  0.00           C  
HETATM   11  N   UNL     1     -10.970  -3.716  -0.206  1.00  0.00           N  
HETATM   12  C   UNL     1      -9.817  -3.225  -0.964  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.336  -1.894  -0.366  1.00  0.00           C  
HETATM   14  O   UNL     1      -9.327  -0.873  -1.366  1.00  0.00           O  
HETATM   15  C   UNL     1     -10.470  -0.017  -1.333  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.902  -2.180   0.124  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.010  -1.158  -0.324  1.00  0.00           O  
HETATM   18  P   UNL     1      -6.734   0.186   0.521  1.00  0.00           P  
HETATM   19  O   UNL     1      -6.197  -0.204   1.987  1.00  0.00           O  
HETATM   20  O   UNL     1      -7.991   0.956   0.645  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.629   1.083  -0.232  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.696   1.909   0.468  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.265   3.075  -0.420  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.454   4.014  -0.676  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.041   5.378  -0.328  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.917   5.946   0.705  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.623   7.416   0.861  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.867   7.984   1.820  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.828   9.335   1.640  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.573   9.680   0.536  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.879  10.886  -0.104  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.386  12.088   0.377  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.655  10.854  -1.184  1.00  0.00           N  
HETATM   34  C   UNL     1      -7.132   9.715  -1.653  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.873   8.557  -1.088  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.098   8.492  -0.003  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.638   5.388   0.108  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.207   3.925   0.301  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.916   3.712  -0.271  1.00  0.00           O  
HETATM   40  P   UNL     1      -0.563   4.266   0.403  1.00  0.00           P  
HETATM   41  O   UNL     1      -0.514   5.739   0.270  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.539   3.868   1.962  1.00  0.00           O  
HETATM   43  O   UNL     1       0.714   3.619  -0.335  1.00  0.00           O  
HETATM   44  C   UNL     1       1.916   3.273   0.359  1.00  0.00           C  
HETATM   45  C   UNL     1       3.123   3.517  -0.548  1.00  0.00           C  
HETATM   46  O   UNL     1       3.247   4.916  -0.826  1.00  0.00           O  
HETATM   47  C   UNL     1       4.626   5.287  -0.836  1.00  0.00           C  
HETATM   48  N   UNL     1       4.801   6.557  -0.126  1.00  0.00           N  
HETATM   49  C   UNL     1       5.774   7.480  -0.356  1.00  0.00           C  
HETATM   50  N   UNL     1       6.832   7.571  -1.224  1.00  0.00           N  
HETATM   51  C   UNL     1       7.649   8.657  -1.205  1.00  0.00           C  
HETATM   52  N   UNL     1       8.694   8.710  -2.088  1.00  0.00           N  
HETATM   53  N   UNL     1       7.474   9.659  -0.371  1.00  0.00           N  
HETATM   54  C   UNL     1       6.467   9.662   0.516  1.00  0.00           C  
HETATM   55  O   UNL     1       6.315  10.599   1.285  1.00  0.00           O  
HETATM   56  C   UNL     1       5.552   8.516   0.543  1.00  0.00           C  
HETATM   57  N   UNL     1       4.464   8.188   1.277  1.00  0.00           N  
HETATM   58  C   UNL     1       4.013   7.032   0.881  1.00  0.00           C  
HETATM   59  C   UNL     1       5.432   4.186  -0.132  1.00  0.00           C  
HETATM   60  O   UNL     1       6.464   3.698  -0.992  1.00  0.00           O  
HETATM   61  C   UNL     1       7.724   4.349  -0.815  1.00  0.00           C  
HETATM   62  C   UNL     1       4.410   3.072   0.164  1.00  0.00           C  
HETATM   63  O   UNL     1       4.867   1.825  -0.361  1.00  0.00           O  
HETATM   64  O   UNL     1      -8.756  -4.175  -0.888  1.00  0.00           O  
HETATM   65  C   UNL     1      -7.536  -3.535  -0.501  1.00  0.00           C  
HETATM   66  C   UNL     1      -6.802  -4.399   0.525  1.00  0.00           C  
HETATM   67  O   UNL     1      -6.133  -5.471  -0.140  1.00  0.00           O  
HETATM   68  P   UNL     1      -5.534  -6.748   0.636  1.00  0.00           P  
HETATM   69  O   UNL     1      -5.147  -6.329   2.141  1.00  0.00           O  
HETATM   70  O   UNL     1      -6.550  -7.825   0.670  1.00  0.00           O  
HETATM   71  O   UNL     1      -4.219  -7.276  -0.129  1.00  0.00           O  
HETATM   72  C   UNL     1      -3.440  -8.382   0.334  1.00  0.00           C  
HETATM   73  C   UNL     1      -2.251  -8.599  -0.605  1.00  0.00           C  
HETATM   74  C   UNL     1      -1.392  -9.751  -0.082  1.00  0.00           C  
HETATM   75  C   UNL     1      -0.040  -9.747  -0.798  1.00  0.00           C  
HETATM   76  C   UNL     1       1.065  -9.390   0.198  1.00  0.00           C  
HETATM   77  C   UNL     1       2.413  -9.358  -0.524  1.00  0.00           C  
HETATM   78  O   UNL     1       2.875  -8.009  -0.613  1.00  0.00           O  
HETATM   79  N   UNL     1       4.269  -7.829  -0.209  1.00  0.00           N  
HETATM   80  O   UNL     1       4.797  -6.553  -0.693  1.00  0.00           O  
HETATM   81  P   UNL     1       6.108  -6.047   0.093  1.00  0.00           P  
HETATM   82  O   UNL     1       5.784  -5.865   1.525  1.00  0.00           O  
HETATM   83  O   UNL     1       7.279  -7.142  -0.057  1.00  0.00           O  
HETATM   84  O   UNL     1       6.601  -4.646  -0.528  1.00  0.00           O  
HETATM   85  C   UNL     1       7.584  -3.821   0.100  1.00  0.00           C  
HETATM   86  C   UNL     1       7.589  -2.418  -0.529  1.00  0.00           C  
HETATM   87  C   UNL     1       6.914  -1.424   0.417  1.00  0.00           C  
HETATM   88  O   UNL     1       6.263  -0.405  -0.347  1.00  0.00           O  
HETATM   89  P   UNL     1       6.256   1.145   0.089  1.00  0.00           P  
HETATM   90  O   UNL     1       7.383   1.846  -0.565  1.00  0.00           O  
HETATM   91  O   UNL     1       6.413   1.253   1.688  1.00  0.00           O  
HETATM   92  C   UNL     1       8.997  -4.377  -0.160  1.00  0.00           C  
HETATM   93  O   UNL     1       8.938  -5.477  -1.070  1.00  0.00           O  
HETATM   94  C   UNL     1       9.968  -6.449  -0.874  1.00  0.00           C  
HETATM   95  C   UNL     1       9.776  -3.210  -0.784  1.00  0.00           C  
HETATM   96  O   UNL     1       8.954  -2.043  -0.734  1.00  0.00           O  
HETATM   97  N   UNL     1      11.007  -2.976  -0.025  1.00  0.00           N  
HETATM   98  C   UNL     1      12.203  -3.626  -0.198  1.00  0.00           C  
HETATM   99  C   UNL     1      13.085  -3.072   0.745  1.00  0.00           C  
HETATM  100  N   UNL     1      12.394  -2.131   1.433  1.00  0.00           N  
HETATM  101  C   UNL     1      11.177  -2.069   0.978  1.00  0.00           C  
HETATM  102  N   UNL     1      12.642  -4.584  -1.008  1.00  0.00           N  
HETATM  103  C   UNL     1      13.885  -5.011  -0.930  1.00  0.00           C  
HETATM  104  N   UNL     1      14.749  -4.522  -0.060  1.00  0.00           N  
HETATM  105  C   UNL     1      14.401  -3.561   0.790  1.00  0.00           C  
HETATM  106  N   UNL     1      15.315  -3.055   1.698  1.00  0.00           N  
HETATM  107  H   UNL     1     -10.039  -5.021   1.262  1.00  0.00           H  
HETATM  108  H   UNL     1     -15.867  -1.565  -2.185  1.00  0.00           H  
HETATM  109  H   UNL     1     -14.375  -1.181  -2.853  1.00  0.00           H  
HETATM  110  H   UNL     1     -12.425  -2.095  -1.987  1.00  0.00           H  
HETATM  111  H   UNL     1     -10.100  -3.076  -2.006  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.972  -1.602   0.470  1.00  0.00           H  
HETATM  113  H   UNL     1     -10.434   0.671  -2.178  1.00  0.00           H  
HETATM  114  H   UNL     1     -11.377  -0.619  -1.393  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.472   0.551  -0.402  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.885  -2.249   1.211  1.00  0.00           H  
HETATM  117  H   UNL     1      -6.009   0.557   2.553  1.00  0.00           H  
HETATM  118  H   UNL     1      -5.163   2.296   1.373  1.00  0.00           H  
HETATM  119  H   UNL     1      -3.820   1.318   0.737  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.872   2.709  -1.367  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.737   3.971  -1.728  1.00  0.00           H  
HETATM  122  H   UNL     1      -6.299   3.716  -0.055  1.00  0.00           H  
HETATM  123  H   UNL     1      -6.958   5.813   0.412  1.00  0.00           H  
HETATM  124  H   UNL     1      -5.739   5.437   1.653  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.368   7.449   2.614  1.00  0.00           H  
HETATM  126  H   UNL     1      -4.821  12.099   1.166  1.00  0.00           H  
HETATM  127  H   UNL     1      -5.605  12.918  -0.074  1.00  0.00           H  
HETATM  128  H   UNL     1      -7.758   9.737  -2.533  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.017   5.860  -0.654  1.00  0.00           H  
HETATM  130  H   UNL     1      -3.547   5.928   1.049  1.00  0.00           H  
HETATM  131  H   UNL     1      -3.194   3.681   1.364  1.00  0.00           H  
HETATM  132  H   UNL     1       0.250   4.170   2.433  1.00  0.00           H  
HETATM  133  H   UNL     1       2.006   3.885   1.256  1.00  0.00           H  
HETATM  134  H   UNL     1       1.881   2.220   0.640  1.00  0.00           H  
HETATM  135  H   UNL     1       3.008   2.967  -1.481  1.00  0.00           H  
HETATM  136  H   UNL     1       4.971   5.393  -1.864  1.00  0.00           H  
HETATM  137  H   UNL     1       6.999   6.854  -1.856  1.00  0.00           H  
HETATM  138  H   UNL     1       8.839   7.981  -2.711  1.00  0.00           H  
HETATM  139  H   UNL     1       9.288   9.476  -2.091  1.00  0.00           H  
HETATM  140  H   UNL     1       3.151   6.527   1.289  1.00  0.00           H  
HETATM  141  H   UNL     1       5.860   4.564   0.797  1.00  0.00           H  
HETATM  142  H   UNL     1       7.594   5.426  -0.916  1.00  0.00           H  
HETATM  143  H   UNL     1       8.114   4.122   0.177  1.00  0.00           H  
HETATM  144  H   UNL     1       8.425   3.994  -1.571  1.00  0.00           H  
HETATM  145  H   UNL     1       4.240   2.993   1.239  1.00  0.00           H  
HETATM  146  H   UNL     1      -6.907  -3.383  -1.378  1.00  0.00           H  
HETATM  147  H   UNL     1      -6.071  -3.789   1.056  1.00  0.00           H  
HETATM  148  H   UNL     1      -7.520  -4.806   1.237  1.00  0.00           H  
HETATM  149  H   UNL     1      -4.780  -7.051   2.669  1.00  0.00           H  
HETATM  150  H   UNL     1      -3.075  -8.173   1.340  1.00  0.00           H  
HETATM  151  H   UNL     1      -4.058  -9.279   0.351  1.00  0.00           H  
HETATM  152  H   UNL     1      -2.616  -8.841  -1.603  1.00  0.00           H  
HETATM  153  H   UNL     1      -1.652  -7.689  -0.648  1.00  0.00           H  
HETATM  154  H   UNL     1      -1.235  -9.630   0.990  1.00  0.00           H  
HETATM  155  H   UNL     1      -1.900 -10.697  -0.270  1.00  0.00           H  
HETATM  156  H   UNL     1       0.153 -10.736  -1.215  1.00  0.00           H  
HETATM  157  H   UNL     1      -0.057  -9.011  -1.602  1.00  0.00           H  
HETATM  158  H   UNL     1       0.861  -8.410   0.630  1.00  0.00           H  
HETATM  159  H   UNL     1       1.094 -10.137   0.991  1.00  0.00           H  
HETATM  160  H   UNL     1       3.137  -9.954   0.032  1.00  0.00           H  
HETATM  161  H   UNL     1       2.298  -9.770  -1.527  1.00  0.00           H  
HETATM  162  H   UNL     1       4.368  -7.904   0.793  1.00  0.00           H  
HETATM  163  H   UNL     1       7.052  -8.012   0.298  1.00  0.00           H  
HETATM  164  H   UNL     1       7.396  -3.754   1.171  1.00  0.00           H  
HETATM  165  H   UNL     1       7.065  -2.439  -1.484  1.00  0.00           H  
HETATM  166  H   UNL     1       6.177  -1.946   1.028  1.00  0.00           H  
HETATM  167  H   UNL     1       7.665  -0.969   1.063  1.00  0.00           H  
HETATM  168  H   UNL     1       7.228   0.862   2.030  1.00  0.00           H  
HETATM  169  H   UNL     1       9.461  -4.685   0.777  1.00  0.00           H  
HETATM  170  H   UNL     1      10.942  -5.977  -1.003  1.00  0.00           H  
HETATM  171  H   UNL     1       9.893  -6.860   0.133  1.00  0.00           H  
HETATM  172  H   UNL     1      10.021  -3.444  -1.820  1.00  0.00           H  
HETATM  173  H   UNL     1      10.411  -1.403   1.347  1.00  0.00           H  
HETATM  174  H   UNL     1      14.209  -5.791  -1.603  1.00  0.00           H  
HETATM  175  H   UNL     1      15.049  -2.355   2.314  1.00  0.00           H  
HETATM  176  H   UNL     1      16.221  -3.401   1.719  1.00  0.00           H  
HETATM  177  H   UNL     1      -4.347   9.959   2.205  1.00  0.00           H  
HETATM  178  H   UNL     1       9.853  -7.251  -1.603  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2    4   10   10                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4   11  107                                       
CONECT    6    2    7    7                                            
CONECT    7    6    6    9    8                                       
CONECT    8    7  108  109                                            
CONECT    9    7   10  110                                            
CONECT   10    3    3    9   11                                       
CONECT   11    5   10   12                                            
CONECT   12   11   64   13  111                                       
CONECT   13   12   16   14  112                                       
CONECT   14   13   15                                                 
CONECT   15   14  113  114  115                                       
CONECT   16   13   65   17  116                                       
CONECT   17   16   18                                                 
CONECT   18   17   21   20   20                                       
CONECT   18   19                                                      
CONECT   19   18  117                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23  118  119                                       
CONECT   23   22   24   38  120                                       
CONECT   24   23   25  121  122                                       
CONECT   25   24   26   37                                            
CONECT   26   25   27  123  124                                       
CONECT   27   26   28   28   36                                       
CONECT   28   27   27   29  125                                       
CONECT   29   28   30  177                                            
CONECT   30   29   31   31   36                                       
CONECT   31   30   30   32   33                                       
CONECT   32   31  126  127                                            
CONECT   33   31   34   34                                            
CONECT   34   33   33   35  128                                       
CONECT   35   34   36   36                                            
CONECT   36   27   30   35   35                                       
CONECT   37   25   38  129  130                                       
CONECT   38   23   37   39  131                                       
CONECT   39   38   40                                                 
CONECT   40   39   41   41   43                                       
CONECT   40   42                                                      
CONECT   41   40   40                                                 
CONECT   42   40  132                                                 
CONECT   43   40   44                                                 
CONECT   44   43   45  133  134                                       
CONECT   45   44   46   62  135                                       
CONECT   46   45   47                                                 
CONECT   47   46   48   59  136                                       
CONECT   48   47   49   58                                            
CONECT   49   48   50   56   56                                       
CONECT   50   49   51  137                                            
CONECT   51   50   52   53   53                                       
CONECT   52   51  138  139                                            
CONECT   53   51   51   54                                            
CONECT   54   53   55   55   56                                       
CONECT   55   54   54                                                 
CONECT   56   49   49   54   57                                       
CONECT   57   56   58   58                                            
CONECT   58   48   57   57  140                                       
CONECT   59   47   62   60  141                                       
CONECT   60   59   61                                                 
CONECT   61   60  142  143  144                                       
CONECT   62   45   59   63  145                                       
CONECT   63   62   89                                                 
CONECT   64   12   65                                                 
CONECT   65   16   64   66  146                                       
CONECT   66   65   67  147  148                                       
CONECT   67   66   68                                                 
CONECT   68   67   70   70   69                                       
CONECT   68   71                                                      
CONECT   69   68  149                                                 
CONECT   70   68   68                                                 
CONECT   71   68   72                                                 
CONECT   72   71   73  150  151                                       
CONECT   73   72   74  152  153                                       
CONECT   74   73   75  154  155                                       
CONECT   75   74   76  156  157                                       
CONECT   76   75   77  158  159                                       
CONECT   77   76   78  160  161                                       
CONECT   78   77   79                                                 
CONECT   79   78   80  162                                            
CONECT   80   79   81                                                 
CONECT   81   80   84   82   82                                       
CONECT   81   83                                                      
CONECT   82   81   81                                                 
CONECT   83   81  163                                                 
CONECT   84   81   85                                                 
CONECT   85   84   86   92  164                                       
CONECT   86   85   87   96  165                                       
CONECT   87   86   88  166  167                                       
CONECT   88   87   89                                                 
CONECT   89   63   88   90   90                                       
CONECT   89   91                                                      
CONECT   90   89   89                                                 
CONECT   91   89  168                                                 
CONECT   92   85   95   93  169                                       
CONECT   93   92   94                                                 
CONECT   94   93  178  170  171                                       
CONECT   95   92   96   97  172                                       
CONECT   96   86   95                                                 
CONECT   97   95  101   98                                            
CONECT   98   97   99  102  102                                       
CONECT   99   98  100  105  105                                       
CONECT  100   99  101  101                                            
CONECT  101   97  100  100  173                                       
CONECT  102   98   98  103                                            
CONECT  103  102  104  104  174                                       
CONECT  104  103  103  105                                            
CONECT  105   99   99  104  106                                       
CONECT  106  105  175  176                                            
CONECT  107    5                                                      
CONECT  108    8                                                      
CONECT  109    8                                                      
CONECT  110    9                                                      
CONECT  111   12                                                      
CONECT  112   13                                                      
CONECT  113   15                                                      
CONECT  114   15                                                      
CONECT  115   15                                                      
CONECT  116   16                                                      
CONECT  117   19                                                      
CONECT  118   22                                                      
CONECT  119   22                                                      
CONECT  120   23                                                      
CONECT  121   24                                                      
CONECT  122   24                                                      
CONECT  123   26                                                      
CONECT  124   26                                                      
CONECT  125   28                                                      
CONECT  126   32                                                      
CONECT  127   32                                                      
CONECT  128   34                                                      
CONECT  129   37                                                      
CONECT  130   37                                                      
CONECT  131   38                                                      
CONECT  132   42                                                      
CONECT  133   44                                                      
CONECT  134   44                                                      
CONECT  135   45                                                      
CONECT  136   47                                                      
CONECT  137   50                                                      
CONECT  138   52                                                      
CONECT  139   52                                                      
CONECT  140   58                                                      
CONECT  141   59                                                      
CONECT  142   61                                                      
CONECT  143   61                                                      
CONECT  144   61                                                      
CONECT  145   62                                                      
CONECT  146   65                                                      
CONECT  147   66                                                      
CONECT  148   66                                                      
CONECT  149   69                                                      
CONECT  150   72                                                      
CONECT  151   72                                                      
CONECT  152   73                                                      
CONECT  153   73                                                      
CONECT  154   74                                                      
CONECT  155   74                                                      
CONECT  156   75                                                      
CONECT  157   75                                                      
CONECT  158   76                                                      
CONECT  159   76                                                      
CONECT  160   77                                                      
CONECT  161   77                                                      
CONECT  162   79                                                      
CONECT  163   83                                                      
CONECT  164   85                                                      
CONECT  165   86                                                      
CONECT  166   87                                                      
CONECT  167   87                                                      
CONECT  168   91                                                      
CONECT  169   92                                                      
CONECT  170   94                                                      
CONECT  171   94                                                      
CONECT  172   95                                                      
CONECT  173  101                                                      
CONECT  174  103                                                      
CONECT  175  106                                                      
CONECT  176  106                                                      
CONECT  177   29                                                      
CONECT  178   94                                                      
MASTER        0    0    0    0    0    0    0    0  178    0  178    0
END
