COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.841  -1.553   0.289  1.00  0.00           C  
HETATM    2  O   UNL     1       0.213   0.777   0.075  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.071  -2.839  -0.510  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.870  -2.550  -1.659  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.719  -3.403  -0.955  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.919  -4.642  -1.638  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.843  -3.635   0.280  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.454  -4.615   1.122  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.698  -2.319   1.048  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.994  -1.833   1.406  1.00  0.00           O  
HETATM   11  C   UNL     1       0.126  -2.555   2.315  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.764   5.644  -0.319  1.00  0.00           O  
HETATM   13  C   UNL     1       7.540  -0.336   0.094  1.00  0.00           C  
HETATM   14  C   UNL     1       6.405   0.549  -0.425  1.00  0.00           C  
HETATM   15  C   UNL     1       5.064   0.000   0.068  1.00  0.00           C  
HETATM   16  C   UNL     1       3.929   0.885  -0.451  1.00  0.00           C  
HETATM   17  C   UNL     1       2.589   0.337   0.043  1.00  0.00           C  
HETATM   18  C   UNL     1       1.454   1.222  -0.477  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.930   1.467  -0.435  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.946   2.803   0.073  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.040   3.593  -0.397  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.938   5.004   0.186  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.358   2.952   0.045  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.423   2.930   1.472  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.425   1.519  -0.493  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.618   0.888  -0.023  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.204   0.740   0.006  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.218  -0.577  -0.548  1.00  0.00           O  
HETATM   29  H   UNL     1      -3.797  -1.170   0.645  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.583  -3.569   0.116  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.741  -2.184  -1.450  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.230  -2.693  -1.623  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.472  -4.570  -2.429  1.00  0.00           H  
HETATM   34  H   UNL     1       0.141  -3.986  -0.032  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.952  -4.812   1.924  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.196  -1.584   0.419  1.00  0.00           H  
HETATM   37  H   UNL     1       1.074  -3.023   2.050  1.00  0.00           H  
HETATM   38  H   UNL     1       0.316  -1.602   2.809  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.426  -3.210   2.990  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.635   6.544   0.010  1.00  0.00           H  
HETATM   41  H   UNL     1       7.405  -1.353  -0.274  1.00  0.00           H  
HETATM   42  C   UNL     1       8.880   0.212  -0.400  1.00  0.00           C  
HETATM   43  H   UNL     1       7.528  -0.340   1.184  1.00  0.00           H  
HETATM   44  H   UNL     1       6.539   1.566  -0.057  1.00  0.00           H  
HETATM   45  H   UNL     1       6.417   0.552  -1.515  1.00  0.00           H  
HETATM   46  H   UNL     1       4.930  -1.017  -0.300  1.00  0.00           H  
HETATM   47  H   UNL     1       5.053  -0.003   1.158  1.00  0.00           H  
HETATM   48  H   UNL     1       4.064   1.902  -0.083  1.00  0.00           H  
HETATM   49  H   UNL     1       3.941   0.889  -1.541  1.00  0.00           H  
HETATM   50  H   UNL     1       2.454  -0.680  -0.325  1.00  0.00           H  
HETATM   51  H   UNL     1       2.577   0.333   1.133  1.00  0.00           H  
HETATM   52  H   UNL     1       1.412   1.158  -1.564  1.00  0.00           H  
HETATM   53  H   UNL     1       1.633   2.255  -0.180  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.884   1.492  -1.523  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.008   3.646  -1.485  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.880   4.944   1.273  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.818   5.580  -0.100  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.194   3.529  -0.349  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.380   3.805   1.882  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.427   1.538  -1.582  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.432   1.333  -0.297  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.230   0.679   1.094  1.00  0.00           H  
HETATM   63  H   UNL     1       8.892   0.215  -1.490  1.00  0.00           H  
HETATM   64  H   UNL     1       9.015   1.229  -0.032  1.00  0.00           H  
HETATM   65  C   UNL     1      10.016  -0.673   0.120  1.00  0.00           C  
HETATM   66  H   UNL     1      10.004  -0.676   1.210  1.00  0.00           H  
HETATM   67  H   UNL     1       9.881  -1.690  -0.248  1.00  0.00           H  
HETATM   68  H   UNL     1      10.970  -0.282  -0.232  1.00  0.00           H  
CONECT    1    3   10   28   29                                       
CONECT    2   18   19                                                 
CONECT    3    1    4    5   30                                       
CONECT    4    3   31                                                 
CONECT    5    3    6    7   32                                       
CONECT    6    5   33                                                 
CONECT    7    5    8    9   34                                       
CONECT    8    7   35                                                 
CONECT    9    7   10   11   36                                       
CONECT   10    1    9                                                 
CONECT   11    9   37   38   39                                       
CONECT   12   22   40                                                 
CONECT   13   14   41   42   43                                       
CONECT   14   13   15   44   45                                       
CONECT   15   14   16   46   47                                       
CONECT   16   15   17   48   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18    2   17   52   53                                       
CONECT   19    2   20   27   54                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   23   55                                       
CONECT   22   12   21   56   57                                       
CONECT   23   21   24   25   58                                       
CONECT   24   23   59                                                 
CONECT   25   23   26   27   60                                       
CONECT   26   25   61                                                 
CONECT   27   19   25   28   62                                       
CONECT   28    1   27                                                 
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13   63   64   65                                       
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   42                                                      
CONECT   64   42                                                      
CONECT   65   42   66   67   68                                       
CONECT   66   65                                                      
CONECT   67   65                                                      
CONECT   68   65                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
