COMPND HMDB0005807 HETATM 1 O1 UNL 1 3.027 -1.421 -0.610 1.00 0.00 O HETATM 2 C1 UNL 1 2.536 -0.381 -0.104 1.00 0.00 C HETATM 3 O2 UNL 1 3.429 0.539 0.417 1.00 0.00 O HETATM 4 C2 UNL 1 1.087 -0.171 -0.078 1.00 0.00 C HETATM 5 C3 UNL 1 0.207 -1.096 -0.601 1.00 0.00 C HETATM 6 C4 UNL 1 -1.170 -0.914 -0.585 1.00 0.00 C HETATM 7 O3 UNL 1 -2.032 -1.860 -1.118 1.00 0.00 O HETATM 8 C5 UNL 1 -1.708 0.224 -0.032 1.00 0.00 C HETATM 9 O4 UNL 1 -3.080 0.410 -0.013 1.00 0.00 O HETATM 10 C6 UNL 1 -0.849 1.157 0.494 1.00 0.00 C HETATM 11 O5 UNL 1 -1.416 2.299 1.048 1.00 0.00 O HETATM 12 C7 UNL 1 0.529 0.964 0.473 1.00 0.00 C HETATM 13 H1 UNL 1 3.775 0.537 1.355 1.00 0.00 H HETATM 14 H2 UNL 1 0.630 -1.993 -1.037 1.00 0.00 H HETATM 15 H3 UNL 1 -1.651 -2.705 -1.530 1.00 0.00 H HETATM 16 H4 UNL 1 -3.684 -0.297 -0.410 1.00 0.00 H HETATM 17 H5 UNL 1 -0.810 2.997 1.439 1.00 0.00 H HETATM 18 H6 UNL 1 1.181 1.709 0.891 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 13 CONECT 4 5 5 12 CONECT 5 6 14 CONECT 6 7 8 8 CONECT 7 15 CONECT 8 9 10 CONECT 9 16 CONECT 10 11 12 12 CONECT 11 17 CONECT 12 18 END