COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.737   3.292  -0.465  1.00  0.00           C  
HETATM    2  C   UNL     1       1.142   4.250  -1.586  1.00  0.00           C  
HETATM    3  C   UNL     1       2.427   4.944  -1.215  1.00  0.00           C  
HETATM    4  C   UNL     1       3.641   4.385  -1.569  1.00  0.00           C  
HETATM    5  C   UNL     1       2.392   6.142  -0.526  1.00  0.00           C  
HETATM    6  C   UNL     1       4.820   5.021  -1.228  1.00  0.00           C  
HETATM    7  C   UNL     1       3.572   6.776  -0.181  1.00  0.00           C  
HETATM    8  C   UNL     1       4.785   6.216  -0.534  1.00  0.00           C  
HETATM    9  N   UNL     1       1.734   2.225  -0.351  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.629   2.681  -0.784  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.034   1.723   0.338  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.342   1.138   0.032  1.00  0.00           N  
HETATM   13  O   UNL     1      -0.554   1.966  -2.018  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.426  -0.109  -0.731  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.285  -1.300   0.220  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.468   1.748   0.454  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.806   1.088   0.244  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.403   2.828   1.002  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.897   1.919   0.922  1.00  0.00           C  
HETATM   20  C   UNL     1       2.845   2.416   0.389  1.00  0.00           C  
HETATM   21  O   UNL     1       3.019   3.474   0.962  1.00  0.00           O  
HETATM   22  C   UNL     1     -11.179  -1.088   0.664  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.030  -0.933   1.422  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.048  -0.046   1.008  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.226   0.691  -0.180  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.380   0.525  -0.928  1.00  0.00           C  
HETATM   27  C   UNL     1     -11.353  -0.365  -0.501  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.734   0.364   1.547  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.198   1.278   0.718  1.00  0.00           N  
HETATM   30  C   UNL     1      -8.016   1.529  -0.320  1.00  0.00           C  
HETATM   31  O   UNL     1      -7.796   2.311  -1.223  1.00  0.00           O  
HETATM   32  O   UNL     1      -7.225  -0.053   2.567  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.586  -2.809  -1.294  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.485  -4.068  -2.156  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.147  -5.281  -1.321  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.910  -5.077  -0.428  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.985  -3.776   0.344  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.242  -2.597  -0.590  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.173  -5.622  -0.382  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.506  -6.171   0.767  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.086  -6.158   0.524  1.00  0.00           O  
HETATM   42  C   UNL     1       5.742  -0.680   0.716  1.00  0.00           C  
HETATM   43  C   UNL     1       5.940   0.529   1.377  1.00  0.00           C  
HETATM   44  C   UNL     1       5.001   1.538   1.270  1.00  0.00           C  
HETATM   45  C   UNL     1       3.849   1.341   0.504  1.00  0.00           C  
HETATM   46  C   UNL     1       3.650   0.124  -0.153  1.00  0.00           C  
HETATM   47  C   UNL     1       4.593  -0.881  -0.044  1.00  0.00           C  
HETATM   48  O   UNL     1       6.667  -1.670   0.822  1.00  0.00           O  
HETATM   49  O   UNL     1       7.061   0.720   2.123  1.00  0.00           O  
HETATM   50  O   UNL     1       4.399  -2.066  -0.684  1.00  0.00           O  
HETATM   51  C   UNL     1       3.152  -1.964  -1.374  1.00  0.00           C  
HETATM   52  C   UNL     1       6.978   2.042   2.660  1.00  0.00           C  
HETATM   53  C   UNL     1       7.593  -1.487  -0.250  1.00  0.00           C  
HETATM   54  C   UNL     1      10.591  -4.525  -0.078  1.00  0.00           C  
HETATM   55  C   UNL     1       9.435  -4.735  -0.806  1.00  0.00           C  
HETATM   56  C   UNL     1       8.465  -3.752  -0.862  1.00  0.00           C  
HETATM   57  C   UNL     1       8.651  -2.559  -0.189  1.00  0.00           C  
HETATM   58  C   UNL     1       9.809  -2.346   0.534  1.00  0.00           C  
HETATM   59  C   UNL     1      10.778  -3.331   0.593  1.00  0.00           C  
HETATM   60  H   UNL     1       0.680   3.838   0.477  1.00  0.00           H  
HETATM   61  H   UNL     1       1.285   3.689  -2.510  1.00  0.00           H  
HETATM   62  H   UNL     1       0.357   4.993  -1.731  1.00  0.00           H  
HETATM   63  H   UNL     1       3.668   3.452  -2.111  1.00  0.00           H  
HETATM   64  H   UNL     1       1.444   6.579  -0.250  1.00  0.00           H  
HETATM   65  H   UNL     1       5.769   4.584  -1.504  1.00  0.00           H  
HETATM   66  H   UNL     1       3.544   7.709   0.361  1.00  0.00           H  
HETATM   67  H   UNL     1       5.707   6.713  -0.267  1.00  0.00           H  
HETATM   68  H   UNL     1       1.595   1.380  -0.808  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.371   3.475  -0.869  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.292   0.929   0.423  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.091   2.269   1.280  1.00  0.00           H  
HETATM   72  H   UNL     1       0.112   1.274  -1.901  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.390  -0.161  -1.237  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.626  -0.138  -1.470  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.365  -1.199   0.794  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.137  -1.324   0.900  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.013   1.018  -0.824  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.790   0.088   0.677  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.689   1.989   1.990  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.913   2.920   0.489  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.945  -1.779   0.985  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.899  -1.501   2.332  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.521   1.087  -1.839  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.253  -0.495  -1.084  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.374  -2.936  -0.552  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.810  -1.949  -1.926  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.438  -4.234  -2.658  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.708  -3.924  -2.907  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.973  -6.131  -1.981  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.985  -5.160  -0.998  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.043  -3.614   0.868  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.794  -3.838   1.073  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.445  -2.538  -1.332  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.732  -5.568   1.646  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.840  -7.195   0.931  1.00  0.00           H  
HETATM   96  H   UNL     1       5.156   2.477   1.780  1.00  0.00           H  
HETATM   97  H   UNL     1       2.761  -0.031  -0.746  1.00  0.00           H  
HETATM   98  H   UNL     1       3.199  -1.142  -2.088  1.00  0.00           H  
HETATM   99  H   UNL     1       2.954  -2.895  -1.904  1.00  0.00           H  
HETATM  100  H   UNL     1       2.354  -1.777  -0.656  1.00  0.00           H  
HETATM  101  H   UNL     1       7.860   2.242   3.269  1.00  0.00           H  
HETATM  102  H   UNL     1       6.929   2.763   1.845  1.00  0.00           H  
HETATM  103  H   UNL     1       6.084   2.128   3.277  1.00  0.00           H  
HETATM  104  H   UNL     1       7.065  -1.551  -1.202  1.00  0.00           H  
HETATM  105  H   UNL     1       8.063  -0.507  -0.161  1.00  0.00           H  
HETATM  106  H   UNL     1      11.349  -5.293  -0.034  1.00  0.00           H  
HETATM  107  H   UNL     1       9.289  -5.668  -1.330  1.00  0.00           H  
HETATM  108  H   UNL     1       7.561  -3.916  -1.430  1.00  0.00           H  
HETATM  109  H   UNL     1       9.955  -1.413   1.059  1.00  0.00           H  
HETATM  110  H   UNL     1      11.681  -3.167   1.162  1.00  0.00           H  
CONECT    1    2    9   10   60                                       
CONECT    2    1    3   61   62                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3    6   63                                       
CONECT    5    3    7    7   64                                       
CONECT    6    4    8    8   65                                       
CONECT    7    5    5    8   66                                       
CONECT    8    6    6    7   67                                       
CONECT    9    1   20   68                                            
CONECT   10    1   11   13   69                                       
CONECT   11   10   12   70   71                                       
CONECT   12   11   14   16                                            
CONECT   13   10   72                                                 
CONECT   14   12   15   73   74                                       
CONECT   15   14   38   75   76                                       
CONECT   16   12   17   18   18                                       
CONECT   17   16   19   77   78                                       
CONECT   18   16   16                                                 
CONECT   19   17   29   79   80                                       
CONECT   20    9   21   21   45                                       
CONECT   21   20   20                                                 
CONECT   22   23   23   27   81                                       
CONECT   23   22   22   24   82                                       
CONECT   24   23   25   25   28                                       
CONECT   25   24   24   26   30                                       
CONECT   26   25   27   27   83                                       
CONECT   27   22   26   26   84                                       
CONECT   28   24   29   32   32                                       
CONECT   29   19   28   30                                            
CONECT   30   25   29   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   28   28                                                 
CONECT   33   34   38   85   86                                       
CONECT   34   33   35   87   88                                       
CONECT   35   34   36   39   89                                       
CONECT   36   35   37   41   90                                       
CONECT   37   36   38   91   92                                       
CONECT   38   15   33   37   93                                       
CONECT   39   35   40                                                 
CONECT   40   39   41   94   95                                       
CONECT   41   36   40                                                 
CONECT   42   43   43   47   48                                       
CONECT   43   42   42   44   49                                       
CONECT   44   43   45   45   96                                       
CONECT   45   20   44   44   46                                       
CONECT   46   45   47   47   97                                       
CONECT   47   42   46   46   50                                       
CONECT   48   42   53                                                 
CONECT   49   43   52                                                 
CONECT   50   47   51                                                 
CONECT   51   50   98   99  100                                       
CONECT   52   49  101  102  103                                       
CONECT   53   48   57  104  105                                       
CONECT   54   55   55   59  106                                       
CONECT   55   54   54   56  107                                       
CONECT   56   55   57   57  108                                       
CONECT   57   53   56   56   58                                       
CONECT   58   57   59   59  109                                       
CONECT   59   54   58   58  110                                       
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    2                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   14                                                      
CONECT   75   15                                                      
CONECT   76   15                                                      
CONECT   77   17                                                      
CONECT   78   17                                                      
CONECT   79   19                                                      
CONECT   80   19                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   44                                                      
CONECT   97   46                                                      
CONECT   98   51                                                      
CONECT   99   51                                                      
CONECT  100   51                                                      
CONECT  101   52                                                      
CONECT  102   52                                                      
CONECT  103   52                                                      
CONECT  104   53                                                      
CONECT  105   53                                                      
CONECT  106   54                                                      
CONECT  107   55                                                      
CONECT  108   56                                                      
CONECT  109   58                                                      
CONECT  110   59                                                      
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
