COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.596  -0.486   0.731  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.456   0.198  -0.256  1.00  0.00           C  
HETATM    3  O   UNL     1      -9.533   0.632  -0.929  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.073   0.567  -0.726  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.857   0.032  -2.144  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.034  -0.045   0.214  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.637   0.431  -0.189  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.598  -0.182   0.751  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.201   0.295   0.348  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.097   1.807   0.559  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.152  -0.414   1.207  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.215  -1.947   0.981  1.00  0.00           C  
HETATM   13  C   UNL     1       0.204  -2.379   0.515  1.00  0.00           C  
HETATM   14  C   UNL     1       1.097  -1.274   1.085  1.00  0.00           C  
HETATM   15  C   UNL     1       2.410  -1.050   0.386  1.00  0.00           C  
HETATM   16  C   UNL     1       2.843  -1.903  -0.488  1.00  0.00           C  
HETATM   17  C   UNL     1       4.135  -1.724  -1.230  1.00  0.00           C  
HETATM   18  C   UNL     1       0.248  -0.009   0.774  1.00  0.00           C  
HETATM   19  C   UNL     1       0.255   0.240  -0.736  1.00  0.00           C  
HETATM   20  C   UNL     1       0.904   1.166   1.460  1.00  0.00           C  
HETATM   21  C   UNL     1       2.243   1.428   0.749  1.00  0.00           C  
HETATM   22  C   UNL     1       3.149   0.200   0.783  1.00  0.00           C  
HETATM   23  C   UNL     1       4.404   0.446  -0.038  1.00  0.00           C  
HETATM   24  C   UNL     1       5.351   1.337   0.774  1.00  0.00           C  
HETATM   25  C   UNL     1       4.025   1.164  -1.335  1.00  0.00           C  
HETATM   26  C   UNL     1       5.096  -0.868  -0.396  1.00  0.00           C  
HETATM   27  C   UNL     1       6.336  -0.587  -1.257  1.00  0.00           C  
HETATM   28  C   UNL     1       7.214   0.419  -0.551  1.00  0.00           C  
HETATM   29  O   UNL     1       8.389   0.206  -0.375  1.00  0.00           O  
HETATM   30  C   UNL     1       6.573   1.704  -0.071  1.00  0.00           C  
HETATM   31  H   UNL     1     -10.399   0.373  -0.587  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.968   1.652  -0.728  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.963  -1.053  -2.142  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.597   0.469  -2.814  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.857   0.300  -2.484  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.242   0.266   1.238  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.080  -1.132   0.148  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.429   0.120  -1.213  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.591   1.518  -0.123  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.806   0.130   1.775  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.644  -1.268   0.685  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.027   0.062  -0.703  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.102   2.146   0.272  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.844   2.312  -0.053  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.271   2.039   1.610  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.306  -0.180   2.261  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.474  -2.452   1.911  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.950  -2.181   0.211  1.00  0.00           H  
HETATM   49  H   UNL     1       0.471  -3.347   0.938  1.00  0.00           H  
HETATM   50  H   UNL     1       0.263  -2.404  -0.573  1.00  0.00           H  
HETATM   51  H   UNL     1       1.235  -1.400   2.159  1.00  0.00           H  
HETATM   52  H   UNL     1       2.249  -2.781  -0.691  1.00  0.00           H  
HETATM   53  H   UNL     1       4.584  -2.700  -1.415  1.00  0.00           H  
HETATM   54  H   UNL     1       3.940  -1.229  -2.182  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.147  -0.634  -1.250  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.360   1.110  -0.964  1.00  0.00           H  
HETATM   57  H   UNL     1       1.276   0.419  -1.070  1.00  0.00           H  
HETATM   58  H   UNL     1       0.264   2.045   1.382  1.00  0.00           H  
HETATM   59  H   UNL     1       1.081   0.929   2.510  1.00  0.00           H  
HETATM   60  H   UNL     1       2.047   1.697  -0.289  1.00  0.00           H  
HETATM   61  H   UNL     1       2.750   2.257   1.241  1.00  0.00           H  
HETATM   62  H   UNL     1       3.471   0.069   1.816  1.00  0.00           H  
HETATM   63  H   UNL     1       4.828   2.246   1.069  1.00  0.00           H  
HETATM   64  H   UNL     1       5.676   0.801   1.666  1.00  0.00           H  
HETATM   65  H   UNL     1       3.552   2.117  -1.097  1.00  0.00           H  
HETATM   66  H   UNL     1       4.923   1.343  -1.927  1.00  0.00           H  
HETATM   67  H   UNL     1       3.332   0.546  -1.904  1.00  0.00           H  
HETATM   68  H   UNL     1       5.376  -1.401   0.512  1.00  0.00           H  
HETATM   69  H   UNL     1       6.892  -1.513  -1.407  1.00  0.00           H  
HETATM   70  H   UNL     1       6.026  -0.187  -2.222  1.00  0.00           H  
HETATM   71  H   UNL     1       6.263   2.303  -0.927  1.00  0.00           H  
HETATM   72  H   UNL     1       7.284   2.266   0.536  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   31                                                 
CONECT    4    2    6    5   32                                       
CONECT    5    4   33   34   35                                       
CONECT    6    4    7   36   37                                       
CONECT    7    6    8   38   39                                       
CONECT    8    7    9   40   41                                       
CONECT    9    8   11   10   42                                       
CONECT   10    9   43   44   45                                       
CONECT   11    9   18   12   46                                       
CONECT   12   11   13   47   48                                       
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   18   51                                       
CONECT   15   14   22   16   16                                       
CONECT   16   15   15   17   52                                       
CONECT   17   16   26   53   54                                       
CONECT   18   11   14   20   19                                       
CONECT   19   18   55   56   57                                       
CONECT   20   18   21   58   59                                       
CONECT   21   20   22   60   61                                       
CONECT   22   15   21   23   62                                       
CONECT   23   22   24   26   25                                       
CONECT   24   23   30   63   64                                       
CONECT   25   23   65   66   67                                       
CONECT   26   17   23   27   68                                       
CONECT   27   26   28   69   70                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   24   28   71   72                                       
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
