COMPND HMDB0003040 HETATM 1 O1 UNL 1 5.499 -0.831 -0.788 1.00 0.00 O HETATM 2 C1 UNL 1 4.521 -0.135 -0.393 1.00 0.00 C HETATM 3 N1 UNL 1 4.665 1.150 -0.021 1.00 0.00 N HETATM 4 C2 UNL 1 3.626 1.871 0.393 1.00 0.00 C HETATM 5 N2 UNL 1 2.399 1.348 0.456 1.00 0.00 N HETATM 6 C3 UNL 1 2.168 0.059 0.099 1.00 0.00 C HETATM 7 C4 UNL 1 3.254 -0.686 -0.332 1.00 0.00 C HETATM 8 N3 UNL 1 2.804 -1.907 -0.627 1.00 0.00 N HETATM 9 C5 UNL 1 1.472 -1.918 -0.387 1.00 0.00 C HETATM 10 N4 UNL 1 1.076 -0.713 0.060 1.00 0.00 N HETATM 11 C6 UNL 1 -0.276 -0.341 0.423 1.00 0.00 C HETATM 12 O2 UNL 1 -0.741 0.767 -0.236 1.00 0.00 O HETATM 13 C7 UNL 1 -2.084 0.652 -0.445 1.00 0.00 C HETATM 14 C8 UNL 1 -2.904 1.653 0.375 1.00 0.00 C HETATM 15 O3 UNL 1 -2.503 2.928 0.005 1.00 0.00 O HETATM 16 C9 UNL 1 -2.533 -0.717 -0.067 1.00 0.00 C HETATM 17 O4 UNL 1 -3.395 -1.280 -1.001 1.00 0.00 O HETATM 18 C10 UNL 1 -1.225 -1.476 0.039 1.00 0.00 C HETATM 19 O5 UNL 1 -1.255 -2.470 0.998 1.00 0.00 O HETATM 20 H1 UNL 1 3.802 2.897 0.679 1.00 0.00 H HETATM 21 H2 UNL 1 1.599 1.937 0.785 1.00 0.00 H HETATM 22 H3 UNL 1 0.820 -2.789 -0.537 1.00 0.00 H HETATM 23 H4 UNL 1 -0.302 -0.187 1.515 1.00 0.00 H HETATM 24 H5 UNL 1 -2.296 0.798 -1.523 1.00 0.00 H HETATM 25 H6 UNL 1 -2.679 1.499 1.447 1.00 0.00 H HETATM 26 H7 UNL 1 -3.959 1.451 0.165 1.00 0.00 H HETATM 27 H8 UNL 1 -3.175 3.321 -0.623 1.00 0.00 H HETATM 28 H9 UNL 1 -2.997 -0.702 0.961 1.00 0.00 H HETATM 29 H10 UNL 1 -3.473 -2.256 -0.841 1.00 0.00 H HETATM 30 H11 UNL 1 -0.941 -1.854 -0.969 1.00 0.00 H HETATM 31 H12 UNL 1 -0.968 -2.068 1.859 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 7 CONECT 3 4 4 CONECT 4 5 20 CONECT 5 6 21 CONECT 6 7 7 10 CONECT 7 8 CONECT 8 9 9 CONECT 9 10 22 CONECT 10 11 CONECT 11 12 18 23 CONECT 12 13 CONECT 13 14 16 24 CONECT 14 15 25 26 CONECT 15 27 CONECT 16 17 18 28 CONECT 17 29 CONECT 18 19 30 CONECT 19 31 END