COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.721  -5.717   0.375  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.125  -6.674  -0.536  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.455  -5.903  -2.080  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.062  -4.940  -1.171  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.018  -3.694   0.893  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.889  -1.216   0.728  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.750  -2.441   0.608  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.258  -2.431   0.671  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.881  -7.717  -2.660  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.251  -3.808   1.053  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.229   0.500   1.781  1.00  0.00           N  
HETATM   12  O   UNL     1      -4.451  -0.311  -0.023  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.690  -4.851   0.058  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.342   3.641   2.311  1.00  0.00           N  
HETATM   15  O   UNL     1      -4.152   1.015   2.156  1.00  0.00           O  
HETATM   16  N   UNL     1       2.420   0.296  -2.414  1.00  0.00           N  
HETATM   17  O   UNL     1      -3.053   2.642   0.727  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.493  -6.769  -1.767  1.00  0.00           C  
HETATM   19  N   UNL     1       1.339  -1.723  -0.811  1.00  0.00           N  
HETATM   20  O   UNL     1      -2.600   5.088  -0.505  1.00  0.00           O  
HETATM   21  N   UNL     1       4.328  -2.575   1.171  1.00  0.00           N  
HETATM   22  O   UNL     1       0.080   5.253  -1.109  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.956  -8.574  -2.270  1.00  0.00           C  
HETATM   24  N   UNL     1       7.316  -0.600   1.894  1.00  0.00           N  
HETATM   25  O   UNL     1       1.601   3.961  -0.034  1.00  0.00           O  
HETATM   26  O   UNL     1       3.931   3.514  -2.135  1.00  0.00           O  
HETATM   27  O   UNL     1       0.435   0.260  -3.457  1.00  0.00           O  
HETATM   28  O   UNL     1       3.405  -2.378  -1.282  1.00  0.00           O  
HETATM   29  O   UNL     1       4.649  -0.667   2.257  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.036  -0.924   1.595  1.00  0.00           C  
HETATM   31  O   UNL     1       6.545   0.262  -0.001  1.00  0.00           O  
HETATM   32  C   UNL     1      -7.297  -1.522   0.963  1.00  0.00           C  
HETATM   33  O   UNL     1       8.693   1.787   2.180  1.00  0.00           O  
HETATM   34  C   UNL     1      -8.397  -0.493   1.376  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.011  -2.445  -1.160  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.694   0.813   1.685  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.105  -1.808  -1.608  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.225   1.370   1.924  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.525   2.909   1.921  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.899   3.296   0.430  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.387   4.745   0.385  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.247   5.679   0.798  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.838   5.088  -1.036  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.247   3.541   1.526  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.109   4.509   1.754  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.843   3.790   2.368  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.768   5.112   0.382  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.449   5.786   0.184  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.573   7.320   0.045  1.00  0.00           C  
HETATM   50  C   UNL     1       0.816   7.929  -0.154  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.453   7.653  -1.162  1.00  0.00           C  
HETATM   52  C   UNL     1       1.013   4.328  -1.063  1.00  0.00           C  
HETATM   53  C   UNL     1       1.507   3.648  -2.383  1.00  0.00           C  
HETATM   54  C   UNL     1       2.639   2.742  -2.080  1.00  0.00           C  
HETATM   55  C   UNL     1       2.713   1.554  -3.096  1.00  0.00           C  
HETATM   56  C   UNL     1       4.144   1.510  -3.759  1.00  0.00           C  
HETATM   57  C   UNL     1       5.191   1.192  -2.690  1.00  0.00           C  
HETATM   58  C   UNL     1       4.173   0.428  -4.839  1.00  0.00           C  
HETATM   59  C   UNL     1       5.519   0.469  -5.566  1.00  0.00           C  
HETATM   60  C   UNL     1       1.312  -0.275  -2.770  1.00  0.00           C  
HETATM   61  C   UNL     1       0.983  -1.669  -2.227  1.00  0.00           C  
HETATM   62  C   UNL     1       2.566  -2.138  -0.440  1.00  0.00           C  
HETATM   63  C   UNL     1       2.896  -2.303   1.021  1.00  0.00           C  
HETATM   64  C   UNL     1       2.093  -3.471   1.597  1.00  0.00           C  
HETATM   65  C   UNL     1       2.242  -3.492   3.119  1.00  0.00           C  
HETATM   66  C   UNL     1       1.274  -4.518   3.713  1.00  0.00           C  
HETATM   67  C   UNL     1       3.677  -3.873   3.486  1.00  0.00           C  
HETATM   68  C   UNL     1       4.890  -3.834   0.677  1.00  0.00           C  
HETATM   69  C   UNL     1       5.128  -1.666   1.763  1.00  0.00           C  
HETATM   70  C   UNL     1       6.617  -1.891   1.811  1.00  0.00           C  
HETATM   71  C   UNL     1       6.986  -2.693   3.078  1.00  0.00           C  
HETATM   72  C   UNL     1       7.421  -1.587   4.075  1.00  0.00           C  
HETATM   73  C   UNL     1       8.120  -0.576   3.129  1.00  0.00           C  
HETATM   74  C   UNL     1       7.238   0.394   0.987  1.00  0.00           C  
HETATM   75  C   UNL     1       8.004   1.656   1.197  1.00  0.00           C  
HETATM   76  C   UNL     1       7.917   2.768   0.184  1.00  0.00           C  
HETATM   77  C   UNL     1      -0.565  -1.953  -2.404  1.00  0.00           C  
HETATM   78  C   UNL     1      -0.671  -3.065  -3.491  1.00  0.00           C  
HETATM   79  C   UNL     1      -2.339  -2.222  -0.768  1.00  0.00           C  
HETATM   80  H   UNL     1      -4.213  -5.642   1.333  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.933  -7.347  -0.290  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.962  -5.975  -3.038  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.257  -4.263  -1.416  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.054  -3.457   1.134  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.985  -4.302  -0.011  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.570  -4.247   1.719  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.405  -1.630   1.247  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.163  -3.797   1.111  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.665  -4.044   2.033  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.348   4.192   3.143  1.00  0.00           H  
HETATM   91  H   UNL     1       3.040  -0.064  -1.824  1.00  0.00           H  
HETATM   92  H   UNL     1       0.691  -1.461  -0.137  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.678  -9.118  -1.368  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.845  -7.975  -2.073  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.165  -9.282  -3.072  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.870  -1.416   2.590  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.214  -1.553  -0.100  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.524  -2.504   1.366  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.115  -0.317   0.537  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.878  -0.831   2.246  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.979   1.246   2.595  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.839   1.519   0.869  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.379   3.142   2.553  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.019   3.188  -0.205  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.689   2.635   0.071  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.224   4.868   1.072  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.434   5.601   0.077  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.611   6.706   0.825  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.886   5.396   1.787  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.649   4.423  -1.330  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.185   6.121  -1.068  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.000   4.965  -1.723  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.476   5.332   2.366  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.500   3.012   1.686  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.047   4.520   2.517  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.109   3.342   3.326  1.00  0.00           H  
HETATM  117  H   UNL     1       0.265   5.543   0.971  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.025   7.732   0.947  1.00  0.00           H  
HETATM  119  H   UNL     1       1.268   7.517  -1.057  1.00  0.00           H  
HETATM  120  H   UNL     1       0.728   9.011  -0.252  1.00  0.00           H  
HETATM  121  H   UNL     1       1.443   7.692   0.706  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.443   7.220  -1.021  1.00  0.00           H  
HETATM  123  H   UNL     1      -1.541   8.735  -1.261  1.00  0.00           H  
HETATM  124  H   UNL     1       0.653   3.020  -2.729  1.00  0.00           H  
HETATM  125  H   UNL     1       1.709   4.419  -3.097  1.00  0.00           H  
HETATM  126  H   UNL     1       1.978   1.776  -3.911  1.00  0.00           H  
HETATM  127  H   UNL     1       4.366   2.478  -4.208  1.00  0.00           H  
HETATM  128  H   UNL     1       6.180   1.162  -3.147  1.00  0.00           H  
HETATM  129  H   UNL     1       5.171   1.964  -1.920  1.00  0.00           H  
HETATM  130  H   UNL     1       4.969   0.224  -2.240  1.00  0.00           H  
HETATM  131  H   UNL     1       4.039  -0.550  -4.377  1.00  0.00           H  
HETATM  132  H   UNL     1       3.369   0.605  -5.553  1.00  0.00           H  
HETATM  133  H   UNL     1       5.652   1.447  -6.028  1.00  0.00           H  
HETATM  134  H   UNL     1       6.323   0.291  -4.852  1.00  0.00           H  
HETATM  135  H   UNL     1       5.539  -0.303  -6.336  1.00  0.00           H  
HETATM  136  H   UNL     1       1.519  -2.382  -2.747  1.00  0.00           H  
HETATM  137  H   UNL     1       2.642  -1.389   1.557  1.00  0.00           H  
HETATM  138  H   UNL     1       1.041  -3.352   1.336  1.00  0.00           H  
HETATM  139  H   UNL     1       2.466  -4.408   1.182  1.00  0.00           H  
HETATM  140  H   UNL     1       2.015  -2.504   3.520  1.00  0.00           H  
HETATM  141  H   UNL     1       1.443  -5.489   3.247  1.00  0.00           H  
HETATM  142  H   UNL     1       1.441  -4.596   4.787  1.00  0.00           H  
HETATM  143  H   UNL     1       0.248  -4.199   3.527  1.00  0.00           H  
HETATM  144  H   UNL     1       3.906  -4.859   3.081  1.00  0.00           H  
HETATM  145  H   UNL     1       4.366  -3.140   3.068  1.00  0.00           H  
HETATM  146  H   UNL     1       3.782  -3.893   4.571  1.00  0.00           H  
HETATM  147  H   UNL     1       5.208  -3.709  -0.359  1.00  0.00           H  
HETATM  148  H   UNL     1       5.748  -4.114   1.288  1.00  0.00           H  
HETATM  149  H   UNL     1       4.133  -4.617   0.732  1.00  0.00           H  
HETATM  150  H   UNL     1       6.940  -2.431   0.921  1.00  0.00           H  
HETATM  151  H   UNL     1       6.119  -3.235   3.457  1.00  0.00           H  
HETATM  152  H   UNL     1       7.809  -3.378   2.874  1.00  0.00           H  
HETATM  153  H   UNL     1       6.556  -1.137   4.562  1.00  0.00           H  
HETATM  154  H   UNL     1       8.122  -1.979   4.812  1.00  0.00           H  
HETATM  155  H   UNL     1       9.144  -0.891   2.927  1.00  0.00           H  
HETATM  156  H   UNL     1       8.109   0.423   3.565  1.00  0.00           H  
HETATM  157  H   UNL     1       8.695   2.635  -0.568  1.00  0.00           H  
HETATM  158  H   UNL     1       6.939   2.745  -0.298  1.00  0.00           H  
HETATM  159  H   UNL     1       8.053   3.727   0.683  1.00  0.00           H  
HETATM  160  H   UNL     1      -1.051  -1.052  -2.726  1.00  0.00           H  
HETATM  161  H   UNL     1      -0.142  -3.956  -3.153  1.00  0.00           H  
HETATM  162  H   UNL     1      -1.720  -3.308  -3.661  1.00  0.00           H  
HETATM  163  H   UNL     1      -0.226  -2.708  -4.420  1.00  0.00           H  
HETATM  164  H   UNL     1       2.631   2.286  -1.076  1.00  0.00           H  
HETATM  165  H   UNL     1       3.978   4.248  -1.507  1.00  0.00           H  
HETATM  166  H   UNL     1      -1.002   7.242  -2.065  1.00  0.00           H  
CONECT    1   13    2    2   80                                       
CONECT    2    1    1   18   81                                       
CONECT    3    4   18   18   82                                       
CONECT    4   13   13    3   83                                       
CONECT    5    8   84   85   86                                       
CONECT    6   30   12   12    8                                       
CONECT    7   79    8   10   87                                       
CONECT    8    6    5    7                                            
CONECT    9   18   23                                                 
CONECT   10    7   13   88   89                                       
CONECT   11   38   36   30                                            
CONECT   12    6    6                                                 
CONECT   13   10    4    4    1                                       
CONECT   14   44   39   90                                            
CONECT   15   38   38                                                 
CONECT   16   60   55   91                                            
CONECT   17   44   44                                                 
CONECT   18    3    3    2    9                                       
CONECT   19   62   61   92                                            
CONECT   20   47   47                                                 
CONECT   21   68   69   63                                            
CONECT   22   48   52                                                 
CONECT   23    9   93   94   95                                       
CONECT   24   73   70   74                                            
CONECT   25   52   52                                                 
CONECT   26   54  165                                                 
CONECT   27   60   60                                                 
CONECT   28   62   62                                                 
CONECT   29   69   69                                                 
CONECT   30   11    6   32   96                                       
CONECT   31   74   74                                                 
CONECT   32   34   30   97   98                                       
CONECT   33   75   75                                                 
CONECT   34   36   32   99  100                                       
CONECT   35   77   79                                                 
CONECT   36   11   34  101  102                                       
CONECT   37   79   79                                                 
CONECT   38   39   15   15   11                                       
CONECT   39   14   40   38  103                                       
CONECT   40   41   39  104  105                                       
CONECT   41   42   43   40  106                                       
CONECT   42   41  107  108  109                                       
CONECT   43   41  110  111  112                                       
CONECT   44   45   17   17   14                                       
CONECT   45   46   47   44  113                                       
CONECT   46   45  114  115  116                                       
CONECT   47   48   20   20   45                                       
CONECT   48   49   47   22  117                                       
CONECT   49   51   50   48  118                                       
CONECT   50   49  119  120  121                                       
CONECT   51   49  122  123  166                                       
CONECT   52   22   25   25   53                                       
CONECT   53   52   54  124  125                                       
CONECT   54   53   26   55  164                                       
CONECT   55   54   16   56  126                                       
CONECT   56   55   57   58  127                                       
CONECT   57   56  128  129  130                                       
CONECT   58   56   59  131  132                                       
CONECT   59   58  133  134  135                                       
CONECT   60   27   27   61   16                                       
CONECT   61   19   60   77  136                                       
CONECT   62   63   28   28   19                                       
CONECT   63   21   64   62  137                                       
CONECT   64   65   63  138  139                                       
CONECT   65   66   64   67  140                                       
CONECT   66   65  141  142  143                                       
CONECT   67   65  144  145  146                                       
CONECT   68   21  147  148  149                                       
CONECT   69   70   21   29   29                                       
CONECT   70   71   24   69  150                                       
CONECT   71   72   70  151  152                                       
CONECT   72   71   73  153  154                                       
CONECT   73   72   24  155  156                                       
CONECT   74   24   75   31   31                                       
CONECT   75   74   33   33   76                                       
CONECT   76   75  157  158  159                                       
CONECT   77   61   78   35  160                                       
CONECT   78   77  161  162  163                                       
CONECT   79   35   37   37    7                                       
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   30                                                      
CONECT   97   32                                                      
CONECT   98   32                                                      
CONECT   99   34                                                      
CONECT  100   34                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   39                                                      
CONECT  104   40                                                      
CONECT  105   40                                                      
CONECT  106   41                                                      
CONECT  107   42                                                      
CONECT  108   42                                                      
CONECT  109   42                                                      
CONECT  110   43                                                      
CONECT  111   43                                                      
CONECT  112   43                                                      
CONECT  113   45                                                      
CONECT  114   46                                                      
CONECT  115   46                                                      
CONECT  116   46                                                      
CONECT  117   48                                                      
CONECT  118   49                                                      
CONECT  119   50                                                      
CONECT  120   50                                                      
CONECT  121   50                                                      
CONECT  122   51                                                      
CONECT  123   51                                                      
CONECT  124   53                                                      
CONECT  125   53                                                      
CONECT  126   55                                                      
CONECT  127   56                                                      
CONECT  128   57                                                      
CONECT  129   57                                                      
CONECT  130   57                                                      
CONECT  131   58                                                      
CONECT  132   58                                                      
CONECT  133   59                                                      
CONECT  134   59                                                      
CONECT  135   59                                                      
CONECT  136   61                                                      
CONECT  137   63                                                      
CONECT  138   64                                                      
CONECT  139   64                                                      
CONECT  140   65                                                      
CONECT  141   66                                                      
CONECT  142   66                                                      
CONECT  143   66                                                      
CONECT  144   67                                                      
CONECT  145   67                                                      
CONECT  146   67                                                      
CONECT  147   68                                                      
CONECT  148   68                                                      
CONECT  149   68                                                      
CONECT  150   70                                                      
CONECT  151   71                                                      
CONECT  152   71                                                      
CONECT  153   72                                                      
CONECT  154   72                                                      
CONECT  155   73                                                      
CONECT  156   73                                                      
CONECT  157   76                                                      
CONECT  158   76                                                      
CONECT  159   76                                                      
CONECT  160   77                                                      
CONECT  161   78                                                      
CONECT  162   78                                                      
CONECT  163   78                                                      
CONECT  164   54                                                      
CONECT  165   26                                                      
CONECT  166   51                                                      
MASTER        0    0    0    0    0    0    0    0  166    0  166    0
END
