HMDB0033831 RDKit 3D Medicagol 30 34 0 0 0 0 0 0 0 0999 V2000 0.7029 2.2739 2.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1258 1.5038 1.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 1.5062 0.7612 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 0.6913 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1498 0.6935 -0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6362 -0.1321 -1.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9921 -0.1052 -1.9504 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9777 -2.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4162 -1.0185 -1.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 -0.1715 -0.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -0.1799 -0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4003 -0.8657 -0.8422 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4864 -0.5170 -0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7942 -0.9478 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7556 -0.3914 0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4308 0.5925 1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1093 1.0100 1.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1517 0.4717 0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1978 0.6682 0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5962 0.9197 2.2235 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7037 0.4553 1.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1095 -0.6430 0.7759 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8348 1.3664 -0.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5823 -0.7533 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 -1.6508 -2.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6817 -1.6859 -2.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0778 -1.7152 -0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8031 1.7764 2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9601 1.2793 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5541 0.1678 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 16 20 1 0 20 21 1 0 21 22 1 0 19 2 1 0 10 4 1 0 19 11 2 0 18 13 1 0 22 15 1 0 5 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 14 27 1 0 17 28 1 0 21 29 1 0 21 30 1 0 M END