HMDB0030179 RDKit 3D Edulitine 26 27 0 0 0 0 0 0 0 0999 V2000 -4.2463 -0.1837 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9385 0.1985 0.4238 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8087 -0.2955 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8502 -1.2808 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6619 -1.7022 -1.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -2.5766 -2.5449 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5332 -1.2005 -1.2438 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 -0.2539 -0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 0.2486 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9652 -0.2640 -0.4783 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2207 0.2445 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8904 1.2296 1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7238 1.7002 1.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 1.1865 1.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5727 0.2101 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5164 -1.1494 0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 0.5937 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4181 -0.3453 -0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8203 -1.6526 -1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4306 -1.5357 -1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3706 -0.0005 1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0279 -0.1458 -0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2143 1.3642 -0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.6080 1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 2.4702 2.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4325 1.5324 1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 3 1 0 15 8 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 7 20 1 0 11 21 1 0 11 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 M END