HMDB0030786 RDKit 3D Marmesin 32 34 0 0 0 0 0 0 0 0999 V2000 -3.8662 1.4445 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0656 0.2161 -0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8223 -0.9719 0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8828 0.0327 -1.8461 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7062 0.2269 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 -1.0144 -0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4519 -0.5618 -0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 -1.2416 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 -0.5808 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0462 -1.2961 -0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2369 -0.6085 -0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1874 0.7698 -0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2716 1.4350 -0.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0301 1.4091 -0.1747 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 0.8076 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6755 1.4858 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4477 0.8161 -0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8703 1.2517 -0.3085 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4043 1.3508 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6543 1.5448 -0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2646 2.3689 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9128 -0.8038 0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5496 -1.0228 1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5075 -1.8632 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 0.9382 -2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7265 0.2164 1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2426 -1.1919 -1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1466 -1.8868 0.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 -2.3267 -0.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0726 -2.3770 -0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1753 -1.1348 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6892 2.5678 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 5 1 0 17 7 1 0 15 9 2 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 8 29 1 0 10 30 1 0 11 31 1 0 16 32 1 0 M END