COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.967   0.678   6.831  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.771   0.289   7.510  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.133  -0.492   8.774  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.973   1.537   7.893  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.926  -0.592   6.588  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.564   0.189   5.324  1.00  0.00           C  
HETATM    7  C   UNL     1       0.280  -0.692   4.403  1.00  0.00           C  
HETATM    8  C   UNL     1       0.643   0.089   3.139  1.00  0.00           C  
HETATM    9  C   UNL     1       1.440   1.337   3.523  1.00  0.00           C  
HETATM   10  C   UNL     1       1.488  -0.792   2.218  1.00  0.00           C  
HETATM   11  C   UNL     1       0.672  -2.029   1.759  1.00  0.00           C  
HETATM   12  C   UNL     1       1.829  -0.045   0.938  1.00  0.00           C  
HETATM   13  C   UNL     1       0.657   0.860   0.557  1.00  0.00           C  
HETATM   14  C   UNL     1       1.917  -1.180  -0.121  1.00  0.00           C  
HETATM   15  C   UNL     1       0.663  -1.994   0.205  1.00  0.00           C  
HETATM   16  C   UNL     1       3.110   0.744   0.873  1.00  0.00           C  
HETATM   17  C   UNL     1       3.155   1.472  -0.480  1.00  0.00           C  
HETATM   18  C   UNL     1       3.085   0.494  -1.652  1.00  0.00           C  
HETATM   19  C   UNL     1       1.948  -0.498  -1.457  1.00  0.00           C  
HETATM   20  C   UNL     1       1.047  -0.743  -2.402  1.00  0.00           C  
HETATM   21  C   UNL     1       1.128  -0.044  -3.694  1.00  0.00           C  
HETATM   22  C   UNL     1       0.287  -0.359  -4.674  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.839  -1.341  -4.443  1.00  0.00           C  
HETATM   24  C   UNL     1       0.437   0.250  -6.050  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.913   0.833  -6.474  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.828   1.303  -7.821  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.988  -0.250  -6.378  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.319   0.306  -6.887  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.148  -0.695  -4.924  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.451   0.439  -4.109  1.00  0.00           O  
HETATM   31  H   UNL     1      -3.439  -0.135   6.608  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.735   0.135   9.430  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.701  -1.381   8.500  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.221  -0.789   9.291  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.061   1.240   8.411  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.715   2.094   6.993  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.575   2.165   8.550  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.494  -1.481   6.315  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.014  -0.889   7.106  1.00  0.00           H  
HETATM   40  H   UNL     1       0.004   1.078   5.598  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.476   0.486   4.807  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.287  -1.581   4.130  1.00  0.00           H  
HETATM   43  H   UNL     1       1.193  -0.989   4.921  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.269   0.386   2.622  1.00  0.00           H  
HETATM   45  H   UNL     1       2.353   1.040   4.040  1.00  0.00           H  
HETATM   46  H   UNL     1       1.698   1.895   2.622  1.00  0.00           H  
HETATM   47  H   UNL     1       0.838   1.966   4.179  1.00  0.00           H  
HETATM   48  H   UNL     1       2.398  -1.107   2.727  1.00  0.00           H  
HETATM   49  H   UNL     1       1.149  -2.943   2.111  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.347  -1.967   2.141  1.00  0.00           H  
HETATM   51  H   UNL     1       0.809   1.246  -0.450  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.269   0.289   0.591  1.00  0.00           H  
HETATM   53  H   UNL     1       0.597   1.692   1.259  1.00  0.00           H  
HETATM   54  H   UNL     1       2.816  -1.780   0.025  1.00  0.00           H  
HETATM   55  H   UNL     1       0.739  -3.002  -0.204  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.230  -1.492  -0.165  1.00  0.00           H  
HETATM   57  H   UNL     1       3.958   0.065   0.956  1.00  0.00           H  
HETATM   58  H   UNL     1       3.137   1.471   1.685  1.00  0.00           H  
HETATM   59  H   UNL     1       4.083   2.040  -0.547  1.00  0.00           H  
HETATM   60  H   UNL     1       2.313   2.161  -0.542  1.00  0.00           H  
HETATM   61  H   UNL     1       4.028  -0.048  -1.723  1.00  0.00           H  
HETATM   62  H   UNL     1       2.922   1.050  -2.575  1.00  0.00           H  
HETATM   63  H   UNL     1       0.256  -1.456  -2.223  1.00  0.00           H  
HETATM   64  H   UNL     1       1.870   0.725  -3.846  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.655  -2.256  -5.004  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.912  -1.568  -3.379  1.00  0.00           H  
HETATM   67  H   UNL     1       1.185   1.042  -6.020  1.00  0.00           H  
HETATM   68  H   UNL     1       0.743  -0.519  -6.759  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.174   1.662  -5.816  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.141   1.982  -7.837  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.696  -1.105  -6.988  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.086  -0.465  -6.820  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.611   1.162  -6.280  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.209   0.618  -7.926  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.958  -1.421  -4.852  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.544   0.115  -3.202  1.00  0.00           H  
CONECT    1    2   31                                                 
CONECT    2    1    3    4    5                                       
CONECT    3    2   32   33   34                                       
CONECT    4    2   35   36   37                                       
CONECT    5    2    6   38   39                                       
CONECT    6    5    7   40   41                                       
CONECT    7    6    8   42   43                                       
CONECT    8    7    9   10   44                                       
CONECT    9    8   45   46   47                                       
CONECT   10    8   11   12   48                                       
CONECT   11   10   15   49   50                                       
CONECT   12   10   13   14   16                                       
CONECT   13   12   51   52   53                                       
CONECT   14   12   15   19   54                                       
CONECT   15   11   14   55   56                                       
CONECT   16   12   17   57   58                                       
CONECT   17   16   18   59   60                                       
CONECT   18   17   19   61   62                                       
CONECT   19   14   18   20   20                                       
CONECT   20   19   19   21   63                                       
CONECT   21   20   22   22   64                                       
CONECT   22   21   21   23   24                                       
CONECT   23   22   29   65   66                                       
CONECT   24   22   25   67   68                                       
CONECT   25   24   26   27   69                                       
CONECT   26   25   70                                                 
CONECT   27   25   28   29   71                                       
CONECT   28   27   72   73   74                                       
CONECT   29   23   27   30   75                                       
CONECT   30   29   76                                                 
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
