HMDB0030299 RDKit 3D Cibulins 13 12 0 0 0 0 0 0 0 0999 V2000 -1.5869 0.4703 -0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -0.5823 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4659 -0.8420 -0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3043 0.7071 -1.3066 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7465 0.8734 -0.4203 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1076 1.1133 -1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 0.0509 -0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7702 1.1571 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0837 -1.5618 0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0363 -0.2744 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 -1.3771 -1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2262 -1.4957 -0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8812 1.7613 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 1 6 1 0 1 7 1 0 1 8 1 0 2 9 1 0 2 10 1 0 3 11 1 0 3 12 1 0 5 13 1 0 M END