HMDB0250311 RDKit 3D Cladinose 28 27 0 0 0 0 0 0 0 0999 V2000 -1.6729 -1.4353 1.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5116 -1.1874 0.7797 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5941 -0.1846 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7112 -0.6802 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1795 1.0956 0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5539 1.8107 1.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 2.9440 1.2842 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -0.0822 -1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 -1.3212 -1.7992 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9503 -0.1381 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3476 1.1144 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9016 -0.2338 -1.3704 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4461 -2.2651 2.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0295 -0.5829 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -1.7452 0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -0.0039 -2.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6871 -0.4647 -0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 -1.7020 -1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2456 0.8691 0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2203 1.7836 -0.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4643 1.2949 2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6351 0.7275 -1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6959 -2.0089 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0592 -1.0239 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1664 1.0675 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 1.9850 -0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4838 1.1971 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5305 -0.8301 -2.0590 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 3 5 1 0 5 6 1 0 6 7 2 0 3 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 M END