COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.233  -2.618  12.542  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.214  -2.985  11.903  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.634  -2.576  12.270  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.637  -3.652  11.869  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.344  -4.871  12.542  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.244  -5.903  12.166  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.993  -1.301  11.701  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.914  -1.332  10.234  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.135  -0.226  12.220  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.178  -3.782  10.798  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.876  -4.205  10.379  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.036  -5.031   9.093  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.360  -4.152   7.914  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.468  -3.832   6.964  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.784  -2.979   5.841  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.878  -2.626   4.919  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.283  -1.752   3.797  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.411  -1.326   3.607  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.180  -1.524   3.033  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.183  -4.959  11.542  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.015  -6.167  12.011  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.725  -5.407  11.245  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.130  -5.890  12.455  1.00  0.00           O  
HETATM   24  C   UNL     1       0.203  -4.344  10.595  1.00  0.00           C  
HETATM   25  C   UNL     1       1.569  -4.973  10.279  1.00  0.00           C  
HETATM   26  C   UNL     1       0.369  -3.079  11.466  1.00  0.00           C  
HETATM   27  C   UNL     1       1.170  -1.917  10.850  1.00  0.00           C  
HETATM   28  C   UNL     1       0.506  -1.259   9.629  1.00  0.00           C  
HETATM   29  O   UNL     1       0.617  -2.129   8.503  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.032  -1.585   7.364  1.00  0.00           C  
HETATM   31  C   UNL     1       1.141   0.096   9.329  1.00  0.00           C  
HETATM   32  C   UNL     1       0.538   1.247  10.092  1.00  0.00           C  
HETATM   33  C   UNL     1       2.146   0.233   8.440  1.00  0.00           C  
HETATM   34  C   UNL     1       2.889   1.492   8.085  1.00  0.00           C  
HETATM   35  C   UNL     1       2.335   2.227   6.844  1.00  0.00           C  
HETATM   36  C   UNL     1       3.116   3.533   6.660  1.00  0.00           C  
HETATM   37  C   UNL     1       2.365   1.322   5.586  1.00  0.00           C  
HETATM   38  C   UNL     1       1.914   2.011   4.288  1.00  0.00           C  
HETATM   39  O   UNL     1       2.970   2.814   3.763  1.00  0.00           O  
HETATM   40  C   UNL     1       2.571   3.483   2.577  1.00  0.00           C  
HETATM   41  C   UNL     1       1.546   0.995   3.241  1.00  0.00           C  
HETATM   42  C   UNL     1       0.366   0.984   2.603  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.007  -0.022   1.550  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.350  -0.696   1.861  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.784  -1.586   0.700  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.015  -0.722  -0.547  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.755  -2.724   0.456  1.00  0.00           C  
HETATM   48  O   UNL     1      -0.591  -3.434   1.688  1.00  0.00           O  
HETATM   49  C   UNL     1      -1.110  -3.734  -0.673  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.049  -4.833  -0.805  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.519  -4.341  -0.432  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.022  -5.222  -1.586  1.00  0.00           C  
HETATM   53  C   UNL     1      -4.396  -5.884  -1.371  1.00  0.00           C  
HETATM   54  O   UNL     1      -5.355  -4.883  -1.025  1.00  0.00           O  
HETATM   55  C   UNL     1      -5.635  -3.967  -1.996  1.00  0.00           C  
HETATM   56  C   UNL     1      -6.656  -2.934  -1.540  1.00  0.00           C  
HETATM   57  C   UNL     1      -6.146  -2.191  -0.316  1.00  0.00           C  
HETATM   58  N   UNL     1      -7.937  -3.530  -1.258  1.00  0.00           N  
HETATM   59  C   UNL     1      -8.490  -4.193  -2.448  1.00  0.00           C  
HETATM   60  C   UNL     1      -8.893  -2.528  -0.763  1.00  0.00           C  
HETATM   61  O   UNL     1      -5.131  -3.949  -3.114  1.00  0.00           O  
HETATM   62  C   UNL     1      -4.940  -6.770  -2.524  1.00  0.00           C  
HETATM   63  C   UNL     1      -6.317  -7.382  -2.214  1.00  0.00           C  
HETATM   64  C   UNL     1      -3.956  -7.880  -2.991  1.00  0.00           C  
HETATM   65  O   UNL     1      -4.431  -8.399  -4.239  1.00  0.00           O  
HETATM   66  C   UNL     1      -4.603  -7.478  -5.228  1.00  0.00           C  
HETATM   67  O   UNL     1      -3.969  -6.442  -5.375  1.00  0.00           O  
HETATM   68  C   UNL     1      -5.708  -7.922  -6.138  1.00  0.00           C  
HETATM   69  C   UNL     1      -3.740  -9.044  -1.989  1.00  0.00           C  
HETATM   70  C   UNL     1      -3.185  -8.541  -0.650  1.00  0.00           C  
HETATM   71  C   UNL     1      -2.812 -10.109  -2.530  1.00  0.00           C  
HETATM   72  C   UNL     1      -3.169 -11.388  -2.700  1.00  0.00           C  
HETATM   73  N   UNL     1      -2.319 -12.332  -3.188  1.00  0.00           N  
HETATM   74  C   UNL     1      -2.772 -13.712  -3.350  1.00  0.00           C  
HETATM   75  C   UNL     1      -1.013 -11.984  -3.534  1.00  0.00           C  
HETATM   76  O   UNL     1      -0.134 -12.711  -3.983  1.00  0.00           O  
HETATM   77  H   UNL     1      -5.653  -2.434  13.356  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.657  -3.355  12.135  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.596  -3.839  10.791  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.256  -5.638  12.482  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.939  -6.843  12.634  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.222  -6.016  11.079  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.625  -2.059   9.834  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.907  -1.613   9.915  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.150  -0.347   9.822  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.500   0.745  11.876  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.108  -0.361  11.869  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.136  -0.236  13.313  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.317  -3.288  10.160  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.849  -5.759   9.201  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.124  -5.597   8.878  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.375  -3.766   7.862  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.453  -4.215   7.031  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.809  -2.622   5.771  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.848  -2.964   4.968  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.165  -4.281  12.406  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.762  -6.431  13.042  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.084  -5.938  11.967  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.823  -7.037  11.376  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.762  -6.272  10.572  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.700  -6.608  12.767  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.248  -4.067   9.639  1.00  0.00           H  
HETATM  103  H   UNL     1       2.285  -4.204   9.976  1.00  0.00           H  
HETATM  104  H   UNL     1       1.967  -5.489  11.158  1.00  0.00           H  
HETATM  105  H   UNL     1       1.478  -5.699   9.466  1.00  0.00           H  
HETATM  106  H   UNL     1       0.866  -3.356  12.405  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.615  -2.689  11.749  1.00  0.00           H  
HETATM  108  H   UNL     1       1.295  -1.168  11.643  1.00  0.00           H  
HETATM  109  H   UNL     1       2.178  -2.263  10.591  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.566  -1.125   9.815  1.00  0.00           H  
HETATM  111  H   UNL     1       0.696  -1.439   6.564  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.496  -0.632   7.629  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.804  -2.282   7.029  1.00  0.00           H  
HETATM  114  H   UNL     1       1.324   1.774  10.622  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.192   0.863  10.798  1.00  0.00           H  
HETATM  116  H   UNL     1       0.048   1.919   9.394  1.00  0.00           H  
HETATM  117  H   UNL     1       2.515  -0.655   7.930  1.00  0.00           H  
HETATM  118  H   UNL     1       2.910   2.172   8.945  1.00  0.00           H  
HETATM  119  H   UNL     1       3.940   1.222   7.913  1.00  0.00           H  
HETATM  120  H   UNL     1       1.289   2.495   7.042  1.00  0.00           H  
HETATM  121  H   UNL     1       2.653   4.152   5.887  1.00  0.00           H  
HETATM  122  H   UNL     1       3.135   4.104   7.593  1.00  0.00           H  
HETATM  123  H   UNL     1       4.148   3.325   6.362  1.00  0.00           H  
HETATM  124  H   UNL     1       1.709   0.462   5.772  1.00  0.00           H  
HETATM  125  H   UNL     1       3.383   0.930   5.459  1.00  0.00           H  
HETATM  126  H   UNL     1       1.065   2.674   4.493  1.00  0.00           H  
HETATM  127  H   UNL     1       1.889   4.299   2.830  1.00  0.00           H  
HETATM  128  H   UNL     1       2.076   2.774   1.908  1.00  0.00           H  
HETATM  129  H   UNL     1       3.456   3.890   2.083  1.00  0.00           H  
HETATM  130  H   UNL     1       2.291   0.242   2.997  1.00  0.00           H  
HETATM  131  H   UNL     1      -0.372   1.749   2.833  1.00  0.00           H  
HETATM  132  H   UNL     1      -0.071   0.503   0.589  1.00  0.00           H  
HETATM  133  H   UNL     1       0.778  -0.784   1.460  1.00  0.00           H  
HETATM  134  H   UNL     1      -2.113   0.072   2.043  1.00  0.00           H  
HETATM  135  H   UNL     1      -2.746  -2.037   0.982  1.00  0.00           H  
HETATM  136  H   UNL     1      -3.036  -0.822  -0.926  1.00  0.00           H  
HETATM  137  H   UNL     1      -1.340  -1.028  -1.354  1.00  0.00           H  
HETATM  138  H   UNL     1      -1.830   0.337  -0.341  1.00  0.00           H  
HETATM  139  H   UNL     1       0.210  -2.256   0.221  1.00  0.00           H  
HETATM  140  H   UNL     1       0.362  -3.563   1.801  1.00  0.00           H  
HETATM  141  H   UNL     1      -1.164  -3.187  -1.623  1.00  0.00           H  
HETATM  142  H   UNL     1       0.037  -5.409   0.123  1.00  0.00           H  
HETATM  143  H   UNL     1      -0.287  -5.527  -1.616  1.00  0.00           H  
HETATM  144  H   UNL     1       0.934  -4.419  -1.044  1.00  0.00           H  
HETATM  145  H   UNL     1      -2.503  -4.930   0.494  1.00  0.00           H  
HETATM  146  H   UNL     1      -3.229  -3.528  -0.271  1.00  0.00           H  
HETATM  147  H   UNL     1      -2.301  -6.043  -1.698  1.00  0.00           H  
HETATM  148  H   UNL     1      -3.002  -4.671  -2.531  1.00  0.00           H  
HETATM  149  H   UNL     1      -4.306  -6.515  -0.480  1.00  0.00           H  
HETATM  150  H   UNL     1      -6.814  -2.241  -2.373  1.00  0.00           H  
HETATM  151  H   UNL     1      -6.820  -2.322   0.537  1.00  0.00           H  
HETATM  152  H   UNL     1      -5.157  -2.555  -0.016  1.00  0.00           H  
HETATM  153  H   UNL     1      -6.058  -1.118  -0.518  1.00  0.00           H  
HETATM  154  H   UNL     1      -7.887  -5.067  -2.705  1.00  0.00           H  
HETATM  155  H   UNL     1      -8.492  -3.505  -3.298  1.00  0.00           H  
HETATM  156  H   UNL     1      -9.517  -4.517  -2.258  1.00  0.00           H  
HETATM  157  H   UNL     1      -9.550  -2.975  -0.012  1.00  0.00           H  
HETATM  158  H   UNL     1      -9.506  -2.151  -1.587  1.00  0.00           H  
HETATM  159  H   UNL     1      -8.360  -1.689  -0.310  1.00  0.00           H  
HETATM  160  H   UNL     1      -5.128  -6.103  -3.378  1.00  0.00           H  
HETATM  161  H   UNL     1      -6.638  -8.073  -2.999  1.00  0.00           H  
HETATM  162  H   UNL     1      -6.312  -7.914  -1.258  1.00  0.00           H  
HETATM  163  H   UNL     1      -7.082  -6.601  -2.146  1.00  0.00           H  
HETATM  164  H   UNL     1      -2.985  -7.416  -3.205  1.00  0.00           H  
HETATM  165  H   UNL     1      -6.642  -7.999  -5.577  1.00  0.00           H  
HETATM  166  H   UNL     1      -5.451  -8.882  -6.592  1.00  0.00           H  
HETATM  167  H   UNL     1      -5.840  -7.185  -6.935  1.00  0.00           H  
HETATM  168  H   UNL     1      -4.718  -9.489  -1.769  1.00  0.00           H  
HETATM  169  H   UNL     1      -3.820  -7.747  -0.242  1.00  0.00           H  
HETATM  170  H   UNL     1      -3.157  -9.352   0.086  1.00  0.00           H  
HETATM  171  H   UNL     1      -2.167  -8.148  -0.745  1.00  0.00           H  
HETATM  172  H   UNL     1      -1.800  -9.800  -2.785  1.00  0.00           H  
HETATM  173  H   UNL     1      -4.162 -11.748  -2.458  1.00  0.00           H  
HETATM  174  H   UNL     1      -3.630 -13.904  -2.701  1.00  0.00           H  
HETATM  175  H   UNL     1      -1.969 -14.406  -3.087  1.00  0.00           H  
HETATM  176  H   UNL     1      -3.067 -13.893  -4.387  1.00  0.00           H  
HETATM  177  H   UNL     1      -0.814 -10.912  -3.359  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    2    4    7   77                                       
CONECT    4    3    5   78   79                                       
CONECT    5    4    6                                                 
CONECT    6    5   80   81   82                                       
CONECT    7    3    8    9                                            
CONECT    8    7   83   84   85                                       
CONECT    9    7   86   87   88                                       
CONECT   10    2   11                                                 
CONECT   11   10   12   20   89                                       
CONECT   12   11   13   90   91                                       
CONECT   13   12   14   14   92                                       
CONECT   14   13   13   15   93                                       
CONECT   15   14   16   16   94                                       
CONECT   16   15   15   17   95                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   44                                                 
CONECT   20   11   21   22   96                                       
CONECT   21   20   97   98   99                                       
CONECT   22   20   23   24  100                                       
CONECT   23   22  101                                                 
CONECT   24   22   25   26  102                                       
CONECT   25   24  103  104  105                                       
CONECT   26   24   27  106  107                                       
CONECT   27   26   28  108  109                                       
CONECT   28   27   29   31  110                                       
CONECT   29   28   30                                                 
CONECT   30   29  111  112  113                                       
CONECT   31   28   32   33   33                                       
CONECT   32   31  114  115  116                                       
CONECT   33   31   31   34  117                                       
CONECT   34   33   35  118  119                                       
CONECT   35   34   36   37  120                                       
CONECT   36   35  121  122  123                                       
CONECT   37   35   38  124  125                                       
CONECT   38   37   39   41  126                                       
CONECT   39   38   40                                                 
CONECT   40   39  127  128  129                                       
CONECT   41   38   42   42  130                                       
CONECT   42   41   41   43  131                                       
CONECT   43   42   44  132  133                                       
CONECT   44   19   43   45  134                                       
CONECT   45   44   46   47  135                                       
CONECT   46   45  136  137  138                                       
CONECT   47   45   48   49  139                                       
CONECT   48   47  140                                                 
CONECT   49   47   50   51  141                                       
CONECT   50   49  142  143  144                                       
CONECT   51   49   52  145  146                                       
CONECT   52   51   53  147  148                                       
CONECT   53   52   54   62  149                                       
CONECT   54   53   55                                                 
CONECT   55   54   56   61   61                                       
CONECT   56   55   57   58  150                                       
CONECT   57   56  151  152  153                                       
CONECT   58   56   59   60                                            
CONECT   59   58  154  155  156                                       
CONECT   60   58  157  158  159                                       
CONECT   61   55   55                                                 
CONECT   62   53   63   64  160                                       
CONECT   63   62  161  162  163                                       
CONECT   64   62   65   69  164                                       
CONECT   65   64   66                                                 
CONECT   66   65   67   67   68                                       
CONECT   67   66   66                                                 
CONECT   68   66  165  166  167                                       
CONECT   69   64   70   71  168                                       
CONECT   70   69  169  170  171                                       
CONECT   71   69   72   72  172                                       
CONECT   72   71   71   73  173                                       
CONECT   73   72   74   75                                            
CONECT   74   73  174  175  176                                       
CONECT   75   73   76   76  177                                       
CONECT   76   75   75                                                 
CONECT   77    3                                                      
CONECT   78    4                                                      
CONECT   79    4                                                      
CONECT   80    6                                                      
CONECT   81    6                                                      
CONECT   82    6                                                      
CONECT   83    8                                                      
CONECT   84    8                                                      
CONECT   85    8                                                      
CONECT   86    9                                                      
CONECT   87    9                                                      
CONECT   88    9                                                      
CONECT   89   11                                                      
CONECT   90   12                                                      
CONECT   91   12                                                      
CONECT   92   13                                                      
CONECT   93   14                                                      
CONECT   94   15                                                      
CONECT   95   16                                                      
CONECT   96   20                                                      
CONECT   97   21                                                      
CONECT   98   21                                                      
CONECT   99   21                                                      
CONECT  100   22                                                      
CONECT  101   23                                                      
CONECT  102   24                                                      
CONECT  103   25                                                      
CONECT  104   25                                                      
CONECT  105   25                                                      
CONECT  106   26                                                      
CONECT  107   26                                                      
CONECT  108   27                                                      
CONECT  109   27                                                      
CONECT  110   28                                                      
CONECT  111   30                                                      
CONECT  112   30                                                      
CONECT  113   30                                                      
CONECT  114   32                                                      
CONECT  115   32                                                      
CONECT  116   32                                                      
CONECT  117   33                                                      
CONECT  118   34                                                      
CONECT  119   34                                                      
CONECT  120   35                                                      
CONECT  121   36                                                      
CONECT  122   36                                                      
CONECT  123   36                                                      
CONECT  124   37                                                      
CONECT  125   37                                                      
CONECT  126   38                                                      
CONECT  127   40                                                      
CONECT  128   40                                                      
CONECT  129   40                                                      
CONECT  130   41                                                      
CONECT  131   42                                                      
CONECT  132   43                                                      
CONECT  133   43                                                      
CONECT  134   44                                                      
CONECT  135   45                                                      
CONECT  136   46                                                      
CONECT  137   46                                                      
CONECT  138   46                                                      
CONECT  139   47                                                      
CONECT  140   48                                                      
CONECT  141   49                                                      
CONECT  142   50                                                      
CONECT  143   50                                                      
CONECT  144   50                                                      
CONECT  145   51                                                      
CONECT  146   51                                                      
CONECT  147   52                                                      
CONECT  148   52                                                      
CONECT  149   53                                                      
CONECT  150   56                                                      
CONECT  151   57                                                      
CONECT  152   57                                                      
CONECT  153   57                                                      
CONECT  154   59                                                      
CONECT  155   59                                                      
CONECT  156   59                                                      
CONECT  157   60                                                      
CONECT  158   60                                                      
CONECT  159   60                                                      
CONECT  160   62                                                      
CONECT  161   63                                                      
CONECT  162   63                                                      
CONECT  163   63                                                      
CONECT  164   64                                                      
CONECT  165   68                                                      
CONECT  166   68                                                      
CONECT  167   68                                                      
CONECT  168   69                                                      
CONECT  169   70                                                      
CONECT  170   70                                                      
CONECT  171   70                                                      
CONECT  172   71                                                      
CONECT  173   72                                                      
CONECT  174   74                                                      
CONECT  175   74                                                      
CONECT  176   74                                                      
CONECT  177   75                                                      
MASTER        0    0    0    0    0    0    0    0  177    0  177    0
END
