HMDB0240656 RDKit 3D Lanthionine 25 24 0 0 0 0 0 0 0 0999 V2000 -2.6726 -1.6431 -0.3195 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6774 -0.3622 0.3538 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2775 0.1885 0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1207 -0.9081 1.2158 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5301 -0.1813 1.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 -0.0968 -0.1818 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2166 -1.4479 -0.7011 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5012 0.5008 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5045 -0.1766 -0.3486 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6932 1.7861 0.4463 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 0.5804 -0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1773 0.2036 -1.3897 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6989 1.8705 0.1319 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8382 -2.1946 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7096 -1.4668 -1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0557 -0.5009 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 1.1673 0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9795 0.3290 -0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2124 -0.7610 1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 0.8711 1.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 0.4818 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 -2.1007 -0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 -1.4654 -1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4831 2.6183 -0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6075 2.7080 -0.4168 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 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 2 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 2 16 1 1 3 17 1 0 3 18 1 0 5 19 1 0 5 20 1 0 6 21 1 6 7 22 1 0 7 23 1 0 10 24 1 0 13 25 1 0 M END