COMPND HMDB0014748 HETATM 1 C1 UNL 1 -1.787 1.222 0.687 1.00 0.00 C HETATM 2 C2 UNL 1 -1.737 0.446 -0.618 1.00 0.00 C HETATM 3 N1 UNL 1 -3.119 0.030 -0.876 1.00 0.00 N HETATM 4 C3 UNL 1 -0.934 -0.820 -0.421 1.00 0.00 C HETATM 5 O1 UNL 1 -1.502 -1.484 0.681 1.00 0.00 O HETATM 6 C4 UNL 1 0.506 -0.559 -0.204 1.00 0.00 C HETATM 7 C5 UNL 1 1.296 -1.562 0.316 1.00 0.00 C HETATM 8 C6 UNL 1 2.642 -1.414 0.551 1.00 0.00 C HETATM 9 C7 UNL 1 3.230 -0.209 0.255 1.00 0.00 C HETATM 10 C8 UNL 1 2.487 0.827 -0.267 1.00 0.00 C HETATM 11 O2 UNL 1 3.110 2.040 -0.558 1.00 0.00 O HETATM 12 C9 UNL 1 1.125 0.639 -0.491 1.00 0.00 C HETATM 13 H1 UNL 1 -2.818 1.607 0.886 1.00 0.00 H HETATM 14 H2 UNL 1 -1.586 0.511 1.535 1.00 0.00 H HETATM 15 H3 UNL 1 -1.096 2.063 0.725 1.00 0.00 H HETATM 16 H4 UNL 1 -1.373 1.076 -1.442 1.00 0.00 H HETATM 17 H5 UNL 1 -3.181 -0.981 -1.101 1.00 0.00 H HETATM 18 H6 UNL 1 -3.576 0.646 -1.580 1.00 0.00 H HETATM 19 H7 UNL 1 -1.025 -1.455 -1.331 1.00 0.00 H HETATM 20 H8 UNL 1 -2.260 -2.063 0.380 1.00 0.00 H HETATM 21 H9 UNL 1 0.866 -2.533 0.564 1.00 0.00 H HETATM 22 H10 UNL 1 3.243 -2.227 0.964 1.00 0.00 H HETATM 23 H11 UNL 1 4.304 -0.067 0.434 1.00 0.00 H HETATM 24 H12 UNL 1 2.629 2.824 -0.936 1.00 0.00 H HETATM 25 H13 UNL 1 0.557 1.442 -0.895 1.00 0.00 H CONECT 1 2 13 14 15 CONECT 2 3 4 16 CONECT 3 17 18 CONECT 4 5 6 19 CONECT 5 20 CONECT 6 7 7 12 CONECT 7 8 21 CONECT 8 9 9 22 CONECT 9 10 23 CONECT 10 11 12 12 CONECT 11 24 CONECT 12 25 END