COMPND HMDB0013188 HETATM 1 O1 UNL 1 2.717 1.105 0.142 1.00 0.00 O HETATM 2 C1 UNL 1 2.055 0.066 0.233 1.00 0.00 C HETATM 3 O2 UNL 1 2.814 -1.098 0.495 1.00 0.00 O HETATM 4 C2 UNL 1 0.616 -0.087 0.102 1.00 0.00 C HETATM 5 N1 UNL 1 0.052 -1.334 0.236 1.00 0.00 N HETATM 6 C3 UNL 1 -1.261 -1.503 0.121 1.00 0.00 C HETATM 7 C4 UNL 1 -2.093 -0.433 -0.134 1.00 0.00 C HETATM 8 C5 UNL 1 -1.593 0.832 -0.277 1.00 0.00 C HETATM 9 C6 UNL 1 -0.197 0.989 -0.152 1.00 0.00 C HETATM 10 O3 UNL 1 0.286 2.250 -0.296 1.00 0.00 O HETATM 11 H1 UNL 1 2.506 -2.013 0.262 1.00 0.00 H HETATM 12 H2 UNL 1 -1.709 -2.501 0.228 1.00 0.00 H HETATM 13 H3 UNL 1 -3.172 -0.614 -0.222 1.00 0.00 H HETATM 14 H4 UNL 1 -2.199 1.705 -0.477 1.00 0.00 H HETATM 15 H5 UNL 1 1.179 2.637 -0.260 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 11 CONECT 4 5 5 9 CONECT 5 6 CONECT 6 7 7 12 CONECT 7 8 13 CONECT 8 9 9 14 CONECT 9 10 CONECT 10 15 END