COMPND    HMDB0029263
HETATM    1  C1  UNL     1       5.979   1.353   1.726  1.00  0.00           C  
HETATM    2  O1  UNL     1       4.596   1.623   1.830  1.00  0.00           O  
HETATM    3  C2  UNL     1       3.665   0.920   1.074  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.095  -0.051   0.216  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.211  -0.811  -0.587  1.00  0.00           C  
HETATM    6  O2  UNL     1       3.753  -1.757  -1.410  1.00  0.00           O  
HETATM    7  C5  UNL     1       1.864  -0.572  -0.509  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.955  -1.279  -1.263  1.00  0.00           C  
HETATM    9  O3  UNL     1       1.281  -2.165  -2.052  1.00  0.00           O  
HETATM   10  C7  UNL     1      -0.416  -0.989  -1.138  1.00  0.00           C  
HETATM   11  O4  UNL     1      -1.317  -1.723  -1.908  1.00  0.00           O  
HETATM   12  C8  UNL     1      -1.819  -2.956  -1.394  1.00  0.00           C  
HETATM   13  C9  UNL     1      -0.779  -0.011  -0.271  1.00  0.00           C  
HETATM   14  C10 UNL     1      -2.153   0.408  -0.031  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.436   1.235   1.062  1.00  0.00           C  
HETATM   16  C12 UNL     1      -3.697   1.702   1.327  1.00  0.00           C  
HETATM   17  C13 UNL     1      -4.768   1.379   0.525  1.00  0.00           C  
HETATM   18  O5  UNL     1      -6.056   1.841   0.777  1.00  0.00           O  
HETATM   19  C14 UNL     1      -4.512   0.568  -0.553  1.00  0.00           C  
HETATM   20  O6  UNL     1      -5.581   0.229  -1.379  1.00  0.00           O  
HETATM   21  C15 UNL     1      -3.222   0.092  -0.825  1.00  0.00           C  
HETATM   22  O7  UNL     1       0.143   0.643   0.437  1.00  0.00           O  
HETATM   23  C16 UNL     1       1.419   0.420   0.367  1.00  0.00           C  
HETATM   24  C17 UNL     1       2.320   1.146   1.141  1.00  0.00           C  
HETATM   25  H1  UNL     1       6.252   0.380   2.171  1.00  0.00           H  
HETATM   26  H2  UNL     1       6.581   2.134   2.233  1.00  0.00           H  
HETATM   27  H3  UNL     1       6.290   1.355   0.657  1.00  0.00           H  
HETATM   28  H4  UNL     1       5.157  -0.258   0.138  1.00  0.00           H  
HETATM   29  H5  UNL     1       3.336  -2.364  -2.021  1.00  0.00           H  
HETATM   30  H6  UNL     1      -2.796  -2.799  -0.900  1.00  0.00           H  
HETATM   31  H7  UNL     1      -1.938  -3.687  -2.221  1.00  0.00           H  
HETATM   32  H8  UNL     1      -1.110  -3.319  -0.626  1.00  0.00           H  
HETATM   33  H9  UNL     1      -1.609   1.511   1.723  1.00  0.00           H  
HETATM   34  H10 UNL     1      -3.882   2.340   2.181  1.00  0.00           H  
HETATM   35  H11 UNL     1      -6.175   2.434   1.587  1.00  0.00           H  
HETATM   36  H12 UNL     1      -5.479  -0.363  -2.194  1.00  0.00           H  
HETATM   37  H13 UNL     1      -3.107  -0.512  -1.701  1.00  0.00           H  
HETATM   38  H14 UNL     1       1.955   1.906   1.810  1.00  0.00           H  
CONECT    1    2   25   26   27
CONECT    2    3
CONECT    3    4    4   24
CONECT    4    5   28
CONECT    5    6    7    7
CONECT    6   29
CONECT    7    8   23
CONECT    8    9    9   10
CONECT   10   11   13   13
CONECT   11   12
CONECT   12   30   31   32
CONECT   13   14   22
CONECT   14   15   15   21
CONECT   15   16   33
CONECT   16   17   17   34
CONECT   17   18   19
CONECT   18   35
CONECT   19   20   21   21
CONECT   20   36
CONECT   21   37
CONECT   22   23
CONECT   23   24   24
CONECT   24   38
END