COMPND    HMDB0029789
HETATM    1  C1  UNL     1      -2.466  -0.099  -2.642  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.482  -0.584  -1.187  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.551  -2.128  -1.305  1.00  0.00           C  
HETATM    4  C4  UNL     1      -3.734  -0.202  -0.530  1.00  0.00           C  
HETATM    5  C5  UNL     1      -3.777   0.443   0.606  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.563   0.831   1.304  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.576   1.510   2.501  1.00  0.00           C  
HETATM    8  O1  UNL     1      -3.760   1.851   3.086  1.00  0.00           O  
HETATM    9  C8  UNL     1      -1.356   1.847   3.110  1.00  0.00           C  
HETATM   10  C9  UNL     1      -0.166   1.506   2.525  1.00  0.00           C  
HETATM   11  C10 UNL     1      -0.162   0.817   1.311  1.00  0.00           C  
HETATM   12  C11 UNL     1       1.126   0.457   0.694  1.00  0.00           C  
HETATM   13  C12 UNL     1       1.407  -0.203  -0.466  1.00  0.00           C  
HETATM   14  C13 UNL     1       2.780  -0.296  -0.613  1.00  0.00           C  
HETATM   15  C14 UNL     1       3.534  -0.866  -1.606  1.00  0.00           C  
HETATM   16  C15 UNL     1       4.909  -0.819  -1.507  1.00  0.00           C  
HETATM   17  C16 UNL     1       5.468  -0.199  -0.408  1.00  0.00           C  
HETATM   18  O2  UNL     1       6.850  -0.164  -0.328  1.00  0.00           O  
HETATM   19  C17 UNL     1       4.683   0.365   0.576  1.00  0.00           C  
HETATM   20  C18 UNL     1       3.294   0.329   0.495  1.00  0.00           C  
HETATM   21  O3  UNL     1       2.314   0.749   1.223  1.00  0.00           O  
HETATM   22  C19 UNL     1      -1.348   0.471   0.686  1.00  0.00           C  
HETATM   23  O4  UNL     1      -1.352  -0.205  -0.504  1.00  0.00           O  
HETATM   24  H1  UNL     1      -1.846  -0.799  -3.201  1.00  0.00           H  
HETATM   25  H2  UNL     1      -3.510  -0.159  -2.988  1.00  0.00           H  
HETATM   26  H3  UNL     1      -2.018   0.907  -2.727  1.00  0.00           H  
HETATM   27  H4  UNL     1      -2.730  -2.522  -0.280  1.00  0.00           H  
HETATM   28  H5  UNL     1      -1.610  -2.519  -1.721  1.00  0.00           H  
HETATM   29  H6  UNL     1      -3.438  -2.356  -1.897  1.00  0.00           H  
HETATM   30  H7  UNL     1      -4.695  -0.461  -0.999  1.00  0.00           H  
HETATM   31  H8  UNL     1      -4.722   0.717   1.077  1.00  0.00           H  
HETATM   32  H9  UNL     1      -4.663   1.665   2.748  1.00  0.00           H  
HETATM   33  H10 UNL     1      -1.383   2.381   4.051  1.00  0.00           H  
HETATM   34  H11 UNL     1       0.799   1.740   2.949  1.00  0.00           H  
HETATM   35  H12 UNL     1       0.707  -0.600  -1.175  1.00  0.00           H  
HETATM   36  H13 UNL     1       3.057  -1.344  -2.455  1.00  0.00           H  
HETATM   37  H14 UNL     1       5.522  -1.262  -2.279  1.00  0.00           H  
HETATM   38  H15 UNL     1       7.329   0.275   0.450  1.00  0.00           H  
HETATM   39  H16 UNL     1       5.128   0.844   1.425  1.00  0.00           H  
CONECT    1    2   24   25   26
CONECT    2    3    4   23
CONECT    3   27   28   29
CONECT    4    5    5   30
CONECT    5    6   31
CONECT    6    7    7   22
CONECT    7    8    9
CONECT    8   32
CONECT    9   10   10   33
CONECT   10   11   34
CONECT   11   12   22   22
CONECT   12   13   13   21
CONECT   13   14   35
CONECT   14   15   15   20
CONECT   15   16   36
CONECT   16   17   17   37
CONECT   17   18   19
CONECT   18   38
CONECT   19   20   20   39
CONECT   20   21
CONECT   22   23
END