COMPND    HMDB0124993
HETATM    1  O1  UNL     1      -4.054  -0.310   0.788  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.077   0.429   0.537  1.00  0.00           C  
HETATM    3  O2  UNL     1      -3.232   1.795   0.624  1.00  0.00           O  
HETATM    4  C2  UNL     1      -1.790  -0.113   0.158  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.625  -1.476   0.068  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.425  -2.055  -0.288  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.637  -1.203  -0.559  1.00  0.00           C  
HETATM    8  O3  UNL     1       1.885  -1.706  -0.926  1.00  0.00           O  
HETATM    9  C6  UNL     1       0.527   0.162  -0.484  1.00  0.00           C  
HETATM   10  O4  UNL     1       1.566   1.038  -0.748  1.00  0.00           O  
HETATM   11  S1  UNL     1       2.651   1.590   0.414  1.00  0.00           S  
HETATM   12  O5  UNL     1       1.893   1.851   1.704  1.00  0.00           O  
HETATM   13  O6  UNL     1       3.289   2.873  -0.076  1.00  0.00           O  
HETATM   14  O7  UNL     1       3.815   0.438   0.757  1.00  0.00           O  
HETATM   15  C7  UNL     1      -0.707   0.688  -0.121  1.00  0.00           C  
HETATM   16  H1  UNL     1      -3.688   2.368  -0.064  1.00  0.00           H  
HETATM   17  H2  UNL     1      -2.485  -2.127   0.288  1.00  0.00           H  
HETATM   18  H3  UNL     1      -0.307  -3.140  -0.356  1.00  0.00           H  
HETATM   19  H4  UNL     1       1.979  -2.707  -0.984  1.00  0.00           H  
HETATM   20  H5  UNL     1       3.968  -0.156  -0.014  1.00  0.00           H  
HETATM   21  H6  UNL     1      -0.820   1.762  -0.054  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   16
CONECT    4    5    5   15
CONECT    5    6   17
CONECT    6    7    7   18
CONECT    7    8    9
CONECT    8   19
CONECT    9   10   15   15
CONECT   10   11
CONECT   11   12   12   13   13
CONECT   11   14
CONECT   14   20
CONECT   15   21
END