COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.269   0.351   1.229  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.953   1.327   0.233  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.203   1.635  -0.593  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.461   2.607   0.911  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.857   0.782  -0.685  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.606   0.474   0.141  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.510  -0.070  -0.777  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.260  -0.379   0.049  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.564  -1.511   1.032  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.124  -0.804  -0.883  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.751   0.357  -1.842  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.237   0.636  -1.622  1.00  0.00           C  
HETATM   13  C   UNL     1       0.277  -0.699  -1.077  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.860  -1.082  -0.085  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.812  -0.143   1.123  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.600  -2.494   0.385  1.00  0.00           C  
HETATM   17  C   UNL     1       0.670  -2.468   1.251  1.00  0.00           C  
HETATM   18  C   UNL     1       1.876  -1.944   0.474  1.00  0.00           C  
HETATM   19  C   UNL     1       2.312  -2.995  -0.549  1.00  0.00           C  
HETATM   20  C   UNL     1       2.810  -4.243   0.183  1.00  0.00           C  
HETATM   21  C   UNL     1       3.246  -5.294  -0.840  1.00  0.00           C  
HETATM   22  C   UNL     1       3.744  -6.542  -0.109  1.00  0.00           C  
HETATM   23  C   UNL     1       1.530  -0.652  -0.253  1.00  0.00           C  
HETATM   24  C   UNL     1       2.283   0.438  -0.165  1.00  0.00           C  
HETATM   25  C   UNL     1       3.503   0.425   0.658  1.00  0.00           C  
HETATM   26  C   UNL     1       4.199   1.543   0.831  1.00  0.00           C  
HETATM   27  C   UNL     1       5.525   1.525   1.559  1.00  0.00           C  
HETATM   28  C   UNL     1       3.690   2.864   0.301  1.00  0.00           C  
HETATM   29  C   UNL     1       4.803   3.521  -0.523  1.00  0.00           C  
HETATM   30  O   UNL     1       4.389   4.826  -0.929  1.00  0.00           O  
HETATM   31  C   UNL     1       6.069   3.629   0.329  1.00  0.00           C  
HETATM   32  C   UNL     1       6.569   2.233   0.688  1.00  0.00           C  
HETATM   33  O   UNL     1       6.784   1.482  -0.509  1.00  0.00           O  
HETATM   34  H   UNL     1      -8.587  -0.488   0.870  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.984   2.023   0.061  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.963   2.379  -1.352  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.554   0.723  -1.076  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.243   2.995   1.565  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.571   2.387   1.500  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.221   3.351   0.152  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.207  -0.130  -1.168  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.616   1.526  -1.444  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.256   1.386   0.624  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.847  -0.270   0.901  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.860  -0.982  -1.260  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.269   0.674  -1.536  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.961   0.512   0.603  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.673  -1.731   1.621  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.373  -1.208   1.697  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.863  -2.401   0.479  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.414  -1.687  -1.453  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.930   0.061  -2.876  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.335   1.244  -1.601  1.00  0.00           H  
HETATM   54  H   UNL     1       0.252   0.882  -2.564  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.095   1.432  -0.891  1.00  0.00           H  
HETATM   56  H   UNL     1       0.359  -1.436  -1.875  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.081   0.866   0.809  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.515  -0.488   1.880  1.00  0.00           H  
HETATM   59  H   UNL     1       0.196  -0.138   1.539  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.444  -2.848   0.976  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.450  -3.148  -0.474  1.00  0.00           H  
HETATM   62  H   UNL     1       0.498  -1.826   2.115  1.00  0.00           H  
HETATM   63  H   UNL     1       0.885  -3.479   1.597  1.00  0.00           H  
HETATM   64  H   UNL     1       2.696  -1.756   1.167  1.00  0.00           H  
HETATM   65  H   UNL     1       1.465  -3.259  -1.182  1.00  0.00           H  
HETATM   66  H   UNL     1       3.115  -2.591  -1.166  1.00  0.00           H  
HETATM   67  H   UNL     1       3.657  -3.979   0.816  1.00  0.00           H  
HETATM   68  H   UNL     1       2.007  -4.647   0.799  1.00  0.00           H  
HETATM   69  H   UNL     1       2.399  -5.558  -1.474  1.00  0.00           H  
HETATM   70  H   UNL     1       4.049  -4.890  -1.457  1.00  0.00           H  
HETATM   71  H   UNL     1       4.055  -7.291  -0.837  1.00  0.00           H  
HETATM   72  H   UNL     1       4.591  -6.278   0.525  1.00  0.00           H  
HETATM   73  H   UNL     1       2.941  -6.946   0.508  1.00  0.00           H  
HETATM   74  H   UNL     1       2.001   1.334  -0.698  1.00  0.00           H  
HETATM   75  H   UNL     1       3.831  -0.494   1.121  1.00  0.00           H  
HETATM   76  H   UNL     1       5.428   2.048   2.510  1.00  0.00           H  
HETATM   77  H   UNL     1       5.832   0.495   1.738  1.00  0.00           H  
HETATM   78  H   UNL     1       2.819   2.694  -0.332  1.00  0.00           H  
HETATM   79  H   UNL     1       3.416   3.512   1.133  1.00  0.00           H  
HETATM   80  H   UNL     1       5.009   2.914  -1.404  1.00  0.00           H  
HETATM   81  H   UNL     1       3.590   4.833  -1.474  1.00  0.00           H  
HETATM   82  H   UNL     1       6.838   4.156  -0.235  1.00  0.00           H  
HETATM   83  H   UNL     1       5.850   4.181   1.244  1.00  0.00           H  
HETATM   84  H   UNL     1       7.505   2.312   1.241  1.00  0.00           H  
HETATM   85  H   UNL     1       7.103   0.582  -0.357  1.00  0.00           H  
CONECT    1    2   34                                                 
CONECT    2    4    5    3    1                                       
CONECT    3    2   35   36   37                                       
CONECT    4    2   38   39   40                                       
CONECT    5    2    6   41   42                                       
CONECT    6    5    7   43   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8   10    7    9   47                                       
CONECT    9    8   48   49   50                                       
CONECT   10   11   14    8   51                                       
CONECT   11   12   10   52   53                                       
CONECT   12   13   11   54   55                                       
CONECT   13   12   23   14   56                                       
CONECT   14   15   13   10   16                                       
CONECT   15   14   57   58   59                                       
CONECT   16   14   17   60   61                                       
CONECT   17   18   16   62   63                                       
CONECT   18   23   19   17   64                                       
CONECT   19   18   20   65   66                                       
CONECT   20   21   19   67   68                                       
CONECT   21   20   22   69   70                                       
CONECT   22   21   71   72   73                                       
CONECT   23   24   24   13   18                                       
CONECT   24   25   23   23   74                                       
CONECT   25   26   26   24   75                                       
CONECT   26   27   28   25   25                                       
CONECT   27   32   26   76   77                                       
CONECT   28   29   26   78   79                                       
CONECT   29   31   30   28   80                                       
CONECT   30   29   81                                                 
CONECT   31   32   29   82   83                                       
CONECT   32   33   31   27   84                                       
CONECT   33   32   85                                                 
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
