COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.030  -4.674   0.049  1.00  0.00           C  
HETATM    2  C   UNL     1       2.159  -6.026   0.300  1.00  0.00           C  
HETATM    3  C   UNL     1       4.507  -5.887  -0.187  1.00  0.00           C  
HETATM    4  C   UNL     1       4.373  -4.534  -0.431  1.00  0.00           C  
HETATM    5  C   UNL     1       5.037  -2.934   2.036  1.00  0.00           C  
HETATM    6  C   UNL     1       5.698  -1.173   0.484  1.00  0.00           C  
HETATM    7  C   UNL     1       3.319  -1.661   0.668  1.00  0.00           C  
HETATM    8  N   UNL     1       4.713  -1.902   1.047  1.00  0.00           N  
HETATM    9  O   UNL     1       3.529  -7.966   0.429  1.00  0.00           O  
HETATM   10  C   UNL     1       2.990  -2.455  -0.598  1.00  0.00           C  
HETATM   11  N   UNL     1       5.873   0.461  -1.307  1.00  0.00           N  
HETATM   12  O   UNL     1       6.567  -0.690   1.178  1.00  0.00           O  
HETATM   13  C   UNL     1       3.135  -3.928  -0.319  1.00  0.00           C  
HETATM   14  N   UNL     1       3.937   3.474  -2.029  1.00  0.00           N  
HETATM   15  O   UNL     1       3.769   1.054  -0.931  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.664  -0.075   2.596  1.00  0.00           N  
HETATM   17  O   UNL     1       3.681   4.254   0.050  1.00  0.00           O  
HETATM   18  C   UNL     1       3.399  -6.636   0.182  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.376  -2.020   1.045  1.00  0.00           N  
HETATM   20  O   UNL     1       2.000   5.866   0.667  1.00  0.00           O  
HETATM   21  N   UNL     1      -4.148  -2.495  -1.344  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.580   4.885   1.157  1.00  0.00           O  
HETATM   23  C   UNL     1       4.836  -8.528   0.289  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.033  -0.642  -2.708  1.00  0.00           N  
HETATM   25  O   UNL     1      -2.237   3.852   0.122  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.413   2.786   2.057  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.969  -0.347   4.062  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.523  -2.556   1.202  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.416  -0.525  -2.329  1.00  0.00           O  
HETATM   30  C   UNL     1       5.721  -0.965  -1.008  1.00  0.00           C  
HETATM   31  O   UNL     1      -7.780   1.426  -2.416  1.00  0.00           O  
HETATM   32  C   UNL     1       6.921  -1.702  -1.617  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.569   1.931  -0.156  1.00  0.00           O  
HETATM   34  C   UNL     1       7.905  -0.613  -2.072  1.00  0.00           C  
HETATM   35  O   UNL     1       1.082  -1.938   1.676  1.00  0.00           O  
HETATM   36  C   UNL     1       7.267   0.725  -1.675  1.00  0.00           C  
HETATM   37  O   UNL     1       2.876  -2.602   2.783  1.00  0.00           O  
HETATM   38  C   UNL     1       4.891   1.382  -1.253  1.00  0.00           C  
HETATM   39  C   UNL     1       5.187   2.820  -1.593  1.00  0.00           C  
HETATM   40  C   UNL     1       5.735   3.537  -0.357  1.00  0.00           C  
HETATM   41  C   UNL     1       5.926   5.022  -0.671  1.00  0.00           C  
HETATM   42  C   UNL     1       6.355   5.760   0.598  1.00  0.00           C  
HETATM   43  C   UNL     1       7.005   5.181  -1.744  1.00  0.00           C  
HETATM   44  C   UNL     1       3.257   4.179  -1.084  1.00  0.00           C  
HETATM   45  C   UNL     1       1.972   4.866  -1.466  1.00  0.00           C  
HETATM   46  C   UNL     1       1.029   3.856  -2.124  1.00  0.00           C  
HETATM   47  C   UNL     1       1.319   5.432  -0.231  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.183   5.458  -0.117  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.677   6.903  -0.203  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.259   7.506  -1.545  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.203   6.929  -0.086  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.650   4.075   1.154  1.00  0.00           C  
HETATM   53  C   UNL     1      -2.119   3.442   2.439  1.00  0.00           C  
HETATM   54  C   UNL     1      -3.075   2.290   2.122  1.00  0.00           C  
HETATM   55  C   UNL     1      -2.975   1.227   3.219  1.00  0.00           C  
HETATM   56  C   UNL     1      -4.309   1.132   3.963  1.00  0.00           C  
HETATM   57  C   UNL     1      -5.378   0.571   3.024  1.00  0.00           C  
HETATM   58  C   UNL     1      -4.154   0.206   5.172  1.00  0.00           C  
HETATM   59  C   UNL     1      -5.449   0.209   5.986  1.00  0.00           C  
HETATM   60  C   UNL     1      -1.597  -0.786   3.122  1.00  0.00           C  
HETATM   61  C   UNL     1      -1.203  -2.099   2.497  1.00  0.00           C  
HETATM   62  C   UNL     1      -2.581  -2.267   0.495  1.00  0.00           C  
HETATM   63  C   UNL     1      -2.759  -2.186  -1.000  1.00  0.00           C  
HETATM   64  C   UNL     1      -1.828  -3.192  -1.680  1.00  0.00           C  
HETATM   65  C   UNL     1      -1.917  -3.024  -3.198  1.00  0.00           C  
HETATM   66  C   UNL     1      -1.378  -1.646  -3.590  1.00  0.00           C  
HETATM   67  C   UNL     1      -1.084  -4.110  -3.881  1.00  0.00           C  
HETATM   68  C   UNL     1      -4.718  -3.798  -0.990  1.00  0.00           C  
HETATM   69  C   UNL     1      -4.903  -1.582  -1.986  1.00  0.00           C  
HETATM   70  C   UNL     1      -6.353  -1.873  -2.277  1.00  0.00           C  
HETATM   71  C   UNL     1      -6.462  -2.886  -3.436  1.00  0.00           C  
HETATM   72  C   UNL     1      -6.705  -1.978  -4.670  1.00  0.00           C  
HETATM   73  C   UNL     1      -7.578  -0.852  -4.061  1.00  0.00           C  
HETATM   74  C   UNL     1      -7.145   0.488  -1.983  1.00  0.00           C  
HETATM   75  C   UNL     1      -6.481   0.587  -0.633  1.00  0.00           C  
HETATM   76  C   UNL     1      -7.183  -0.351   0.350  1.00  0.00           C  
HETATM   77  C   UNL     1       0.270  -2.385   2.794  1.00  0.00           C  
HETATM   78  C   UNL     1       0.468  -3.888   2.999  1.00  0.00           C  
HETATM   79  C   UNL     1       2.410  -2.101   1.787  1.00  0.00           C  
HETATM   80  H   UNL     1       1.064  -4.199   0.136  1.00  0.00           H  
HETATM   81  H   UNL     1       1.296  -6.607   0.587  1.00  0.00           H  
HETATM   82  H   UNL     1       5.474  -6.359  -0.275  1.00  0.00           H  
HETATM   83  H   UNL     1       5.237  -3.948  -0.710  1.00  0.00           H  
HETATM   84  H   UNL     1       4.283  -3.720   2.001  1.00  0.00           H  
HETATM   85  H   UNL     1       6.015  -3.359   1.810  1.00  0.00           H  
HETATM   86  H   UNL     1       5.055  -2.490   3.031  1.00  0.00           H  
HETATM   87  H   UNL     1       3.172  -0.598   0.479  1.00  0.00           H  
HETATM   88  H   UNL     1       1.966  -2.242  -0.904  1.00  0.00           H  
HETATM   89  H   UNL     1       3.675  -2.167  -1.395  1.00  0.00           H  
HETATM   90  H   UNL     1       3.617   3.404  -2.942  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.190  -0.427   1.861  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.623  -1.789   0.479  1.00  0.00           H  
HETATM   93  H   UNL     1       5.185  -8.384  -0.734  1.00  0.00           H  
HETATM   94  H   UNL     1       5.519  -8.034   0.979  1.00  0.00           H  
HETATM   95  H   UNL     1       4.799  -9.594   0.513  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.549   3.464   1.381  1.00  0.00           H  
HETATM   97  H   UNL     1       4.797  -1.338  -1.447  1.00  0.00           H  
HETATM   98  H   UNL     1       7.388  -2.341  -0.868  1.00  0.00           H  
HETATM   99  H   UNL     1       6.600  -2.298  -2.471  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.161   2.068   0.710  1.00  0.00           H  
HETATM  101  H   UNL     1       8.862  -0.737  -1.566  1.00  0.00           H  
HETATM  102  H   UNL     1       8.042  -0.658  -3.152  1.00  0.00           H  
HETATM  103  H   UNL     1       7.302   1.416  -2.518  1.00  0.00           H  
HETATM  104  H   UNL     1       7.800   1.151  -0.825  1.00  0.00           H  
HETATM  105  H   UNL     1       5.921   2.862  -2.397  1.00  0.00           H  
HETATM  106  H   UNL     1       5.032   3.427   0.468  1.00  0.00           H  
HETATM  107  H   UNL     1       6.693   3.098  -0.078  1.00  0.00           H  
HETATM  108  H   UNL     1       4.988   5.440  -1.035  1.00  0.00           H  
HETATM  109  H   UNL     1       7.294   5.343   0.962  1.00  0.00           H  
HETATM  110  H   UNL     1       6.491   6.819   0.374  1.00  0.00           H  
HETATM  111  H   UNL     1       5.586   5.647   1.362  1.00  0.00           H  
HETATM  112  H   UNL     1       6.700   4.655  -2.648  1.00  0.00           H  
HETATM  113  H   UNL     1       7.141   6.240  -1.967  1.00  0.00           H  
HETATM  114  H   UNL     1       7.944   4.764  -1.380  1.00  0.00           H  
HETATM  115  H   UNL     1       2.185   5.674  -2.167  1.00  0.00           H  
HETATM  116  H   UNL     1       0.816   3.049  -1.423  1.00  0.00           H  
HETATM  117  H   UNL     1       0.099   4.353  -2.400  1.00  0.00           H  
HETATM  118  H   UNL     1       1.501   3.447  -3.017  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.620   4.875  -0.929  1.00  0.00           H  
HETATM  120  H   UNL     1      -0.241   7.485   0.609  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.611   8.536  -1.607  1.00  0.00           H  
HETATM  122  H   UNL     1       0.828   7.488  -1.629  1.00  0.00           H  
HETATM  123  H   UNL     1      -0.696   6.924  -2.357  1.00  0.00           H  
HETATM  124  H   UNL     1      -2.501   6.499   0.871  1.00  0.00           H  
HETATM  125  H   UNL     1      -2.555   7.959  -0.147  1.00  0.00           H  
HETATM  126  H   UNL     1      -2.639   6.347  -0.897  1.00  0.00           H  
HETATM  127  H   UNL     1      -1.260   3.060   2.991  1.00  0.00           H  
HETATM  128  H   UNL     1      -2.637   4.188   3.043  1.00  0.00           H  
HETATM  129  H   UNL     1      -2.805   1.847   1.163  1.00  0.00           H  
HETATM  130  H   UNL     1      -2.183   1.496   3.918  1.00  0.00           H  
HETATM  131  H   UNL     1      -4.607   2.125   4.302  1.00  0.00           H  
HETATM  132  H   UNL     1      -6.349   0.602   3.519  1.00  0.00           H  
HETATM  133  H   UNL     1      -5.415   1.171   2.115  1.00  0.00           H  
HETATM  134  H   UNL     1      -5.133  -0.460   2.770  1.00  0.00           H  
HETATM  135  H   UNL     1      -3.942  -0.806   4.828  1.00  0.00           H  
HETATM  136  H   UNL     1      -3.332   0.557   5.795  1.00  0.00           H  
HETATM  137  H   UNL     1      -5.338  -0.451   6.846  1.00  0.00           H  
HETATM  138  H   UNL     1      -5.660   1.222   6.329  1.00  0.00           H  
HETATM  139  H   UNL     1      -6.271  -0.142   5.362  1.00  0.00           H  
HETATM  140  H   UNL     1      -1.834  -2.895   2.895  1.00  0.00           H  
HETATM  141  H   UNL     1      -2.516  -1.179  -1.340  1.00  0.00           H  
HETATM  142  H   UNL     1      -0.803  -3.017  -1.354  1.00  0.00           H  
HETATM  143  H   UNL     1      -2.128  -4.205  -1.408  1.00  0.00           H  
HETATM  144  H   UNL     1      -2.956  -3.111  -3.513  1.00  0.00           H  
HETATM  145  H   UNL     1      -0.339  -1.559  -3.274  1.00  0.00           H  
HETATM  146  H   UNL     1      -1.441  -1.526  -4.671  1.00  0.00           H  
HETATM  147  H   UNL     1      -1.972  -0.872  -3.103  1.00  0.00           H  
HETATM  148  H   UNL     1      -1.467  -5.091  -3.601  1.00  0.00           H  
HETATM  149  H   UNL     1      -1.146  -3.990  -4.962  1.00  0.00           H  
HETATM  150  H   UNL     1      -0.044  -4.023  -3.565  1.00  0.00           H  
HETATM  151  H   UNL     1      -5.150  -3.747   0.009  1.00  0.00           H  
HETATM  152  H   UNL     1      -5.494  -4.063  -1.709  1.00  0.00           H  
HETATM  153  H   UNL     1      -3.933  -4.554  -1.008  1.00  0.00           H  
HETATM  154  H   UNL     1      -6.837  -2.272  -1.386  1.00  0.00           H  
HETATM  155  H   UNL     1      -5.534  -3.447  -3.547  1.00  0.00           H  
HETATM  156  H   UNL     1      -7.303  -3.562  -3.280  1.00  0.00           H  
HETATM  157  H   UNL     1      -5.766  -1.579  -5.053  1.00  0.00           H  
HETATM  158  H   UNL     1      -7.246  -2.514  -5.450  1.00  0.00           H  
HETATM  159  H   UNL     1      -8.620  -1.169  -4.006  1.00  0.00           H  
HETATM  160  H   UNL     1      -7.489   0.059  -4.652  1.00  0.00           H  
HETATM  161  H   UNL     1      -5.433   0.301  -0.723  1.00  0.00           H  
HETATM  162  H   UNL     1      -6.689  -0.295   1.321  1.00  0.00           H  
HETATM  163  H   UNL     1      -8.226  -0.053   0.456  1.00  0.00           H  
HETATM  164  H   UNL     1      -7.133  -1.374  -0.024  1.00  0.00           H  
HETATM  165  H   UNL     1       0.569  -1.852   3.697  1.00  0.00           H  
HETATM  166  H   UNL     1       1.518  -4.091   3.209  1.00  0.00           H  
HETATM  167  H   UNL     1      -0.142  -4.223   3.838  1.00  0.00           H  
HETATM  168  H   UNL     1       0.168  -4.420   2.096  1.00  0.00           H  
CONECT    1    2    2   13   80                                       
CONECT    2    1    1   18   81                                       
CONECT    3   18   18    4   82                                       
CONECT    4   13   13    3   83                                       
CONECT    5    8   84   85   86                                       
CONECT    6    8   12   12   30                                       
CONECT    7   79    8   10   87                                       
CONECT    8    5    7    6                                            
CONECT    9   18   23                                                 
CONECT   10    7   13   88   89                                       
CONECT   11   30   38   36                                            
CONECT   12    6    6                                                 
CONECT   13    1   10    4    4                                       
CONECT   14   44   39   90                                            
CONECT   15   38   38                                                 
CONECT   16   55   60   91                                            
CONECT   17   44   44                                                 
CONECT   18    2    9    3    3                                       
CONECT   19   61   62   92                                            
CONECT   20   47   47                                                 
CONECT   21   69   63   68                                            
CONECT   22   52   48                                                 
CONECT   23    9   93   94   95                                       
CONECT   24   73   74   70                                            
CONECT   25   52   52                                                 
CONECT   26   54   96                                                 
CONECT   27   60   60                                                 
CONECT   28   62   62                                                 
CONECT   29   69   69                                                 
CONECT   30    6   11   32   97                                       
CONECT   31   74   74                                                 
CONECT   32   30   34   98   99                                       
CONECT   33   75  100                                                 
CONECT   34   32   36  101  102                                       
CONECT   35   77   79                                                 
CONECT   36   11   34  103  104                                       
CONECT   37   79   79                                                 
CONECT   38   15   15   11   39                                       
CONECT   39   38   14   40  105                                       
CONECT   40   39   41  106  107                                       
CONECT   41   40   43   42  108                                       
CONECT   42   41  109  110  111                                       
CONECT   43   41  112  113  114                                       
CONECT   44   45   14   17   17                                       
CONECT   45   47   44   46  115                                       
CONECT   46   45  116  117  118                                       
CONECT   47   48   45   20   20                                       
CONECT   48   22   49   47  119                                       
CONECT   49   51   48   50  120                                       
CONECT   50   49  121  122  123                                       
CONECT   51   49  124  125  126                                       
CONECT   52   53   25   25   22                                       
CONECT   53   54   52  127  128                                       
CONECT   54   55   26   53  129                                       
CONECT   55   56   54   16  130                                       
CONECT   56   58   55   57  131                                       
CONECT   57   56  132  133  134                                       
CONECT   58   59   56  135  136                                       
CONECT   59   58  137  138  139                                       
CONECT   60   27   27   16   61                                       
CONECT   61   60   77   19  140                                       
CONECT   62   19   63   28   28                                       
CONECT   63   62   21   64  141                                       
CONECT   64   63   65  142  143                                       
CONECT   65   66   67   64  144                                       
CONECT   66   65  145  146  147                                       
CONECT   67   65  148  149  150                                       
CONECT   68   21  151  152  153                                       
CONECT   69   29   29   70   21                                       
CONECT   70   24   71   69  154                                       
CONECT   71   72   70  155  156                                       
CONECT   72   73   71  157  158                                       
CONECT   73   72   24  159  160                                       
CONECT   74   75   24   31   31                                       
CONECT   75   76   33   74  161                                       
CONECT   76   75  162  163  164                                       
CONECT   77   78   35   61  165                                       
CONECT   78   77  166  167  168                                       
CONECT   79   35    7   37   37                                       
CONECT   80    1                                                      
CONECT   81    2                                                      
CONECT   82    3                                                      
CONECT   83    4                                                      
CONECT   84    5                                                      
CONECT   85    5                                                      
CONECT   86    5                                                      
CONECT   87    7                                                      
CONECT   88   10                                                      
CONECT   89   10                                                      
CONECT   90   14                                                      
CONECT   91   16                                                      
CONECT   92   19                                                      
CONECT   93   23                                                      
CONECT   94   23                                                      
CONECT   95   23                                                      
CONECT   96   26                                                      
CONECT   97   30                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   34                                                      
CONECT  102   34                                                      
CONECT  103   36                                                      
CONECT  104   36                                                      
CONECT  105   39                                                      
CONECT  106   40                                                      
CONECT  107   40                                                      
CONECT  108   41                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   42                                                      
CONECT  112   43                                                      
CONECT  113   43                                                      
CONECT  114   43                                                      
CONECT  115   45                                                      
CONECT  116   46                                                      
CONECT  117   46                                                      
CONECT  118   46                                                      
CONECT  119   48                                                      
CONECT  120   49                                                      
CONECT  121   50                                                      
CONECT  122   50                                                      
CONECT  123   50                                                      
CONECT  124   51                                                      
CONECT  125   51                                                      
CONECT  126   51                                                      
CONECT  127   53                                                      
CONECT  128   53                                                      
CONECT  129   54                                                      
CONECT  130   55                                                      
CONECT  131   56                                                      
CONECT  132   57                                                      
CONECT  133   57                                                      
CONECT  134   57                                                      
CONECT  135   58                                                      
CONECT  136   58                                                      
CONECT  137   59                                                      
CONECT  138   59                                                      
CONECT  139   59                                                      
CONECT  140   61                                                      
CONECT  141   63                                                      
CONECT  142   64                                                      
CONECT  143   64                                                      
CONECT  144   65                                                      
CONECT  145   66                                                      
CONECT  146   66                                                      
CONECT  147   66                                                      
CONECT  148   67                                                      
CONECT  149   67                                                      
CONECT  150   67                                                      
CONECT  151   68                                                      
CONECT  152   68                                                      
CONECT  153   68                                                      
CONECT  154   70                                                      
CONECT  155   71                                                      
CONECT  156   71                                                      
CONECT  157   72                                                      
CONECT  158   72                                                      
CONECT  159   73                                                      
CONECT  160   73                                                      
CONECT  161   75                                                      
CONECT  162   76                                                      
CONECT  163   76                                                      
CONECT  164   76                                                      
CONECT  165   77                                                      
CONECT  166   78                                                      
CONECT  167   78                                                      
CONECT  168   78                                                      
MASTER        0    0    0    0    0    0    0    0  168    0  168    0
END
