COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.796   1.576  -2.414  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.212   1.543  -1.279  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.977   2.727  -0.385  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.053   4.010  -1.217  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.715   5.212  -0.333  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.074   2.747   0.680  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.866   0.460  -0.857  1.00  0.00           N  
HETATM    8  C   UNL     1      -8.308   0.212   0.503  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.507  -0.842   1.065  1.00  0.00           O  
HETATM   10  C   UNL     1      -8.119   1.421   1.424  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.836   1.233   2.245  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.780  -0.200   0.530  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.637   0.862  -0.168  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.014  -1.543  -0.160  1.00  0.00           C  
HETATM   15  O   UNL     1      -9.930  -1.397  -1.578  1.00  0.00           O  
HETATM   16  C   UNL     1      -9.004  -2.580   0.329  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.089  -3.835  -0.544  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.595  -1.990   0.234  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.579  -3.037   0.711  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.161  -2.498   0.513  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.905  -2.331  -0.883  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.153  -3.487   1.102  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.203  -4.796   0.311  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.746  -2.893   1.017  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.755  -3.826   1.716  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.369  -3.241   1.632  1.00  0.00           C  
HETATM   27  C   UNL     1       0.337  -3.044   2.740  1.00  0.00           C  
HETATM   28  C   UNL     1       1.690  -2.472   2.659  1.00  0.00           C  
HETATM   29  C   UNL     1       2.435  -2.369   3.754  1.00  0.00           C  
HETATM   30  C   UNL     1       1.851  -2.719   5.098  1.00  0.00           C  
HETATM   31  C   UNL     1       3.865  -1.903   3.652  1.00  0.00           C  
HETATM   32  O   UNL     1       4.063  -0.762   4.524  1.00  0.00           O  
HETATM   33  C   UNL     1       4.803  -3.041   4.069  1.00  0.00           C  
HETATM   34  C   UNL     1       5.516  -3.548   2.840  1.00  0.00           C  
HETATM   35  C   UNL     1       4.809  -3.841   1.754  1.00  0.00           C  
HETATM   36  C   UNL     1       5.483  -4.311   0.535  1.00  0.00           C  
HETATM   37  C   UNL     1       4.796  -4.367  -0.602  1.00  0.00           C  
HETATM   38  C   UNL     1       5.459  -4.825  -1.875  1.00  0.00           C  
HETATM   39  O   UNL     1       6.835  -5.114  -1.620  1.00  0.00           O  
HETATM   40  C   UNL     1       5.352  -3.708  -2.920  1.00  0.00           C  
HETATM   41  C   UNL     1       6.716  -3.490  -3.578  1.00  0.00           C  
HETATM   42  C   UNL     1       4.903  -2.416  -2.233  1.00  0.00           C  
HETATM   43  O   UNL     1       5.979  -1.894  -1.451  1.00  0.00           O  
HETATM   44  C   UNL     1       4.497  -1.387  -3.290  1.00  0.00           C  
HETATM   45  C   UNL     1       2.981  -1.435  -3.492  1.00  0.00           C  
HETATM   46  C   UNL     1       2.587  -2.795  -4.070  1.00  0.00           C  
HETATM   47  C   UNL     1       1.114  -2.797  -4.391  1.00  0.00           C  
HETATM   48  C   UNL     1       0.472  -4.028  -4.976  1.00  0.00           C  
HETATM   49  O   UNL     1       0.449  -1.811  -4.179  1.00  0.00           O  
HETATM   50  C   UNL     1       4.898  -0.008  -2.833  1.00  0.00           C  
HETATM   51  O   UNL     1       5.996   0.182  -2.353  1.00  0.00           O  
HETATM   52  N   UNL     1       4.020   1.021  -2.963  1.00  0.00           N  
HETATM   53  C   UNL     1       4.477   2.342  -2.485  1.00  0.00           C  
HETATM   54  C   UNL     1       4.078   3.420  -3.495  1.00  0.00           C  
HETATM   55  C   UNL     1       4.553   4.787  -2.997  1.00  0.00           C  
HETATM   56  C   UNL     1       4.727   3.117  -4.848  1.00  0.00           C  
HETATM   57  C   UNL     1       3.826   2.625  -1.156  1.00  0.00           C  
HETATM   58  O   UNL     1       2.869   1.976  -0.792  1.00  0.00           O  
HETATM   59  N   UNL     1       4.327   3.619  -0.367  1.00  0.00           N  
HETATM   60  C   UNL     1       3.627   3.806   0.928  1.00  0.00           C  
HETATM   61  C   UNL     1       2.267   3.107   0.882  1.00  0.00           C  
HETATM   62  C   UNL     1       1.442   3.686  -0.239  1.00  0.00           C  
HETATM   63  C   UNL     1       1.369   5.055  -0.405  1.00  0.00           C  
HETATM   64  C   UNL     1       0.613   5.587  -1.440  1.00  0.00           C  
HETATM   65  O   UNL     1       0.544   6.934  -1.609  1.00  0.00           O  
HETATM   66  C   UNL     1      -0.075   4.743  -2.299  1.00  0.00           C  
HETATM   67  C   UNL     1      -0.003   3.374  -2.124  1.00  0.00           C  
HETATM   68  C   UNL     1       0.754   2.846  -1.096  1.00  0.00           C  
HETATM   69  C   UNL     1       4.472   3.205   2.022  1.00  0.00           C  
HETATM   70  O   UNL     1       5.561   2.737   1.765  1.00  0.00           O  
HETATM   71  N   UNL     1       4.008   3.191   3.292  1.00  0.00           N  
HETATM   72  N   UNL     1       4.799   2.762   4.311  1.00  0.00           N  
HETATM   73  C   UNL     1       2.649   3.675   3.571  1.00  0.00           C  
HETATM   74  C   UNL     1       1.886   2.552   4.293  1.00  0.00           C  
HETATM   75  C   UNL     1       2.746   2.110   5.485  1.00  0.00           C  
HETATM   76  C   UNL     1       4.115   1.659   4.977  1.00  0.00           C  
HETATM   77  C   UNL     1       3.948   0.488   4.041  1.00  0.00           C  
HETATM   78  O   UNL     1       3.714   0.672   2.870  1.00  0.00           O  
HETATM   79  H   UNL     1      -5.997   2.654   0.077  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.061   4.124  -1.617  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.340   3.952  -2.040  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.483   5.328   0.432  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.749   5.052   0.144  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.674   6.113  -0.946  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.862   3.558   1.390  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.034   2.963   0.208  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.048  -0.216  -1.534  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.962   1.441   2.134  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.745   2.045   2.967  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.879   0.281   2.773  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.974   1.241   1.578  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.107  -0.276   1.574  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.689   0.585  -0.096  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.482   1.828   0.313  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.350   0.929  -1.218  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.025  -1.893   0.091  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.126  -2.264  -1.960  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.220  -2.846   1.363  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.363  -4.570  -0.196  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.093  -4.256  -0.478  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.873  -3.572  -1.580  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.375  -1.732  -0.799  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.744  -3.248   1.767  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.704  -3.953   0.133  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.064  -1.537   1.018  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.001  -3.202  -1.291  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.403  -3.683   2.144  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.485  -5.501   0.730  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.205  -5.220   0.372  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.953  -4.601  -0.732  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.462  -2.780  -0.030  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.733  -1.918   1.504  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.039  -3.939   2.762  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.768  -4.801   1.229  1.00  0.00           H  
HETATM  115  H   UNL     1       0.050  -2.981   0.671  1.00  0.00           H  
HETATM  116  H   UNL     1      -0.083  -3.303   3.701  1.00  0.00           H  
HETATM  117  H   UNL     1       2.078  -2.136   1.708  1.00  0.00           H  
HETATM  118  H   UNL     1       0.845  -3.117   4.965  1.00  0.00           H  
HETATM  119  H   UNL     1       2.477  -3.469   5.583  1.00  0.00           H  
HETATM  120  H   UNL     1       1.808  -1.825   5.720  1.00  0.00           H  
HETATM  121  H   UNL     1       4.079  -1.615   2.623  1.00  0.00           H  
HETATM  122  H   UNL     1       5.532  -2.668   4.788  1.00  0.00           H  
HETATM  123  H   UNL     1       4.223  -3.848   4.515  1.00  0.00           H  
HETATM  124  H   UNL     1       6.587  -3.663   2.840  1.00  0.00           H  
HETATM  125  H   UNL     1       3.733  -3.742   1.770  1.00  0.00           H  
HETATM  126  H   UNL     1       6.517  -4.613   0.568  1.00  0.00           H  
HETATM  127  H   UNL     1       3.756  -4.073  -0.609  1.00  0.00           H  
HETATM  128  H   UNL     1       4.960  -5.720  -2.245  1.00  0.00           H  
HETATM  129  H   UNL     1       6.855  -5.814  -0.953  1.00  0.00           H  
HETATM  130  H   UNL     1       4.622  -3.989  -3.680  1.00  0.00           H  
HETATM  131  H   UNL     1       7.036  -4.412  -4.064  1.00  0.00           H  
HETATM  132  H   UNL     1       6.639  -2.696  -4.320  1.00  0.00           H  
HETATM  133  H   UNL     1       7.445  -3.208  -2.818  1.00  0.00           H  
HETATM  134  H   UNL     1       4.052  -2.626  -1.586  1.00  0.00           H  
HETATM  135  H   UNL     1       6.202  -2.571  -0.797  1.00  0.00           H  
HETATM  136  H   UNL     1       4.996  -1.617  -4.231  1.00  0.00           H  
HETATM  137  H   UNL     1       2.482  -1.288  -2.534  1.00  0.00           H  
HETATM  138  H   UNL     1       2.682  -0.646  -4.182  1.00  0.00           H  
HETATM  139  H   UNL     1       3.157  -2.983  -4.979  1.00  0.00           H  
HETATM  140  H   UNL     1       2.800  -3.576  -3.339  1.00  0.00           H  
HETATM  141  H   UNL     1       1.223  -4.808  -5.094  1.00  0.00           H  
HETATM  142  H   UNL     1      -0.315  -4.380  -4.308  1.00  0.00           H  
HETATM  143  H   UNL     1       0.042  -3.786  -5.948  1.00  0.00           H  
HETATM  144  H   UNL     1       3.140   0.895  -3.351  1.00  0.00           H  
HETATM  145  H   UNL     1       5.561   2.334  -2.368  1.00  0.00           H  
HETATM  146  H   UNL     1       2.994   3.430  -3.607  1.00  0.00           H  
HETATM  147  H   UNL     1       5.637   4.776  -2.886  1.00  0.00           H  
HETATM  148  H   UNL     1       4.269   5.554  -3.717  1.00  0.00           H  
HETATM  149  H   UNL     1       4.091   5.003  -2.034  1.00  0.00           H  
HETATM  150  H   UNL     1       4.389   2.143  -5.202  1.00  0.00           H  
HETATM  151  H   UNL     1       4.443   3.885  -5.567  1.00  0.00           H  
HETATM  152  H   UNL     1       5.811   3.106  -4.736  1.00  0.00           H  
HETATM  153  H   UNL     1       5.085   4.163  -0.633  1.00  0.00           H  
HETATM  154  H   UNL     1       3.485   4.870   1.117  1.00  0.00           H  
HETATM  155  H   UNL     1       2.412   2.040   0.712  1.00  0.00           H  
HETATM  156  H   UNL     1       1.749   3.257   1.829  1.00  0.00           H  
HETATM  157  H   UNL     1       1.905   5.710   0.265  1.00  0.00           H  
HETATM  158  H   UNL     1      -0.207   7.243  -1.085  1.00  0.00           H  
HETATM  159  H   UNL     1      -0.667   5.155  -3.103  1.00  0.00           H  
HETATM  160  H   UNL     1      -0.539   2.716  -2.792  1.00  0.00           H  
HETATM  161  H   UNL     1       0.809   1.776  -0.961  1.00  0.00           H  
HETATM  162  H   UNL     1       5.630   2.376   3.890  1.00  0.00           H  
HETATM  163  H   UNL     1       2.697   4.558   4.209  1.00  0.00           H  
HETATM  164  H   UNL     1       2.146   3.920   2.636  1.00  0.00           H  
HETATM  165  H   UNL     1       0.925   2.924   4.647  1.00  0.00           H  
HETATM  166  H   UNL     1       1.733   1.712   3.615  1.00  0.00           H  
HETATM  167  H   UNL     1       2.871   2.946   6.174  1.00  0.00           H  
HETATM  168  H   UNL     1       2.258   1.283   6.000  1.00  0.00           H  
HETATM  169  H   UNL     1       4.716   1.334   5.835  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    6   79                                       
CONECT    4    3    5   80   81                                       
CONECT    5    4   82   83   84                                       
CONECT    6    3   10   85   86                                       
CONECT    7    2    8   87                                            
CONECT    8    7    9   10   12                                       
CONECT    9    8   18                                                 
CONECT   10    6    8   11   88                                       
CONECT   11   10   89   90   91                                       
CONECT   12    8   13   14   92                                       
CONECT   13   12   93   94   95                                       
CONECT   14   12   15   16   96                                       
CONECT   15   14   97                                                 
CONECT   16   14   17   18   98                                       
CONECT   17   16   99  100  101                                       
CONECT   18    9   16   19  102                                       
CONECT   19   18   20  103  104                                       
CONECT   20   19   21   22  105                                       
CONECT   21   20  106                                                 
CONECT   22   20   23   24  107                                       
CONECT   23   22  108  109  110                                       
CONECT   24   22   25  111  112                                       
CONECT   25   24   26  113  114                                       
CONECT   26   25   27   27  115                                       
CONECT   27   26   26   28  116                                       
CONECT   28   27   29   29  117                                       
CONECT   29   28   28   30   31                                       
CONECT   30   29  118  119  120                                       
CONECT   31   29   32   33  121                                       
CONECT   32   31   77                                                 
CONECT   33   31   34  122  123                                       
CONECT   34   33   35   35  124                                       
CONECT   35   34   34   36  125                                       
CONECT   36   35   37   37  126                                       
CONECT   37   36   36   38  127                                       
CONECT   38   37   39   40  128                                       
CONECT   39   38  129                                                 
CONECT   40   38   41   42  130                                       
CONECT   41   40  131  132  133                                       
CONECT   42   40   43   44  134                                       
CONECT   43   42  135                                                 
CONECT   44   42   45   50  136                                       
CONECT   45   44   46  137  138                                       
CONECT   46   45   47  139  140                                       
CONECT   47   46   48   49   49                                       
CONECT   48   47  141  142  143                                       
CONECT   49   47   47                                                 
CONECT   50   44   51   51   52                                       
CONECT   51   50   50                                                 
CONECT   52   50   53  144                                            
CONECT   53   52   54   57  145                                       
CONECT   54   53   55   56  146                                       
CONECT   55   54  147  148  149                                       
CONECT   56   54  150  151  152                                       
CONECT   57   53   58   58   59                                       
CONECT   58   57   57                                                 
CONECT   59   57   60  153                                            
CONECT   60   59   61   69  154                                       
CONECT   61   60   62  155  156                                       
CONECT   62   61   63   63   68                                       
CONECT   63   62   62   64  157                                       
CONECT   64   63   65   66   66                                       
CONECT   65   64  158                                                 
CONECT   66   64   64   67  159                                       
CONECT   67   66   68   68  160                                       
CONECT   68   62   67   67  161                                       
CONECT   69   60   70   70   71                                       
CONECT   70   69   69                                                 
CONECT   71   69   72   73                                            
CONECT   72   71   76  162                                            
CONECT   73   71   74  163  164                                       
CONECT   74   73   75  165  166                                       
CONECT   75   74   76  167  168                                       
CONECT   76   72   75   77  169                                       
CONECT   77   32   76   78   78                                       
CONECT   78   77   77                                                 
CONECT   79    3                                                      
CONECT   80    4                                                      
CONECT   81    4                                                      
CONECT   82    5                                                      
CONECT   83    5                                                      
CONECT   84    5                                                      
CONECT   85    6                                                      
CONECT   86    6                                                      
CONECT   87    7                                                      
CONECT   88   10                                                      
CONECT   89   11                                                      
CONECT   90   11                                                      
CONECT   91   11                                                      
CONECT   92   12                                                      
CONECT   93   13                                                      
CONECT   94   13                                                      
CONECT   95   13                                                      
CONECT   96   14                                                      
CONECT   97   15                                                      
CONECT   98   16                                                      
CONECT   99   17                                                      
CONECT  100   17                                                      
CONECT  101   17                                                      
CONECT  102   18                                                      
CONECT  103   19                                                      
CONECT  104   19                                                      
CONECT  105   20                                                      
CONECT  106   21                                                      
CONECT  107   22                                                      
CONECT  108   23                                                      
CONECT  109   23                                                      
CONECT  110   23                                                      
CONECT  111   24                                                      
CONECT  112   24                                                      
CONECT  113   25                                                      
CONECT  114   25                                                      
CONECT  115   26                                                      
CONECT  116   27                                                      
CONECT  117   28                                                      
CONECT  118   30                                                      
CONECT  119   30                                                      
CONECT  120   30                                                      
CONECT  121   31                                                      
CONECT  122   33                                                      
CONECT  123   33                                                      
CONECT  124   34                                                      
CONECT  125   35                                                      
CONECT  126   36                                                      
CONECT  127   37                                                      
CONECT  128   38                                                      
CONECT  129   39                                                      
CONECT  130   40                                                      
CONECT  131   41                                                      
CONECT  132   41                                                      
CONECT  133   41                                                      
CONECT  134   42                                                      
CONECT  135   43                                                      
CONECT  136   44                                                      
CONECT  137   45                                                      
CONECT  138   45                                                      
CONECT  139   46                                                      
CONECT  140   46                                                      
CONECT  141   48                                                      
CONECT  142   48                                                      
CONECT  143   48                                                      
CONECT  144   52                                                      
CONECT  145   53                                                      
CONECT  146   54                                                      
CONECT  147   55                                                      
CONECT  148   55                                                      
CONECT  149   55                                                      
CONECT  150   56                                                      
CONECT  151   56                                                      
CONECT  152   56                                                      
CONECT  153   59                                                      
CONECT  154   60                                                      
CONECT  155   61                                                      
CONECT  156   61                                                      
CONECT  157   63                                                      
CONECT  158   65                                                      
CONECT  159   66                                                      
CONECT  160   67                                                      
CONECT  161   68                                                      
CONECT  162   72                                                      
CONECT  163   73                                                      
CONECT  164   73                                                      
CONECT  165   74                                                      
CONECT  166   74                                                      
CONECT  167   75                                                      
CONECT  168   75                                                      
CONECT  169   76                                                      
MASTER        0    0    0    0    0    0    0    0  169    0  169    0
END
