KEGG:C05125 2-(alpha-Hydroxyethyl)thiamine diphosphate ISISHOST03240423112D 1 1.00000 0.00000 4348 29 30 0 0 0 999 V2000 -1.2034 0.0897 0.0000 N 0 3 0 0 0 0 0 0 0 -0.8241 0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6207 -0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9207 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0103 0.6897 0.0000 S 0 0 0 0 0 0 0 0 0 -1.1966 1.5621 0.0000 C 0 0 3 0 0 0 0 0 0 0.1138 -0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7552 -1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6345 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0172 1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7414 2.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0.8483 -0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6345 -0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3586 0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 1.5414 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.3586 -1.1690 0.0000 N 0 0 0 0 0 0 0 0 0 -1.9207 -1.1586 0.0000 N 0 0 0 0 0 0 0 0 0 -4.0690 0.0862 0.0000 N 0 0 0 0 0 0 0 0 0 2.2759 -0.4345 0.0000 O 0 0 0 0 0 0 0 0 0 -4.0690 -0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 2.9690 0.0138 0.0000 P 0 0 3 0 0 0 0 0 0 -4.7828 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 3.7034 -0.3655 0.0000 O 0 0 0 0 0 0 0 0 0 3.2207 -0.7724 0.0000 O 0 0 0 0 0 0 0 0 0 2.9276 0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 4.3966 0.0828 0.0000 P 0 0 3 0 0 0 0 0 0 5.1276 -0.2931 0.0000 O 0 0 0 0 0 0 0 0 0 4.6483 -0.7034 0.0000 O 0 0 0 0 0 0 0 0 0 4.3552 0.9069 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 6 10 1 0 0 0 6 11 1 0 0 0 7 12 1 0 0 0 9 13 2 0 0 0 9 14 1 0 0 0 12 15 1 0 0 0 13 16 1 0 0 0 13 17 1 0 0 0 14 18 2 0 0 0 15 19 1 0 0 0 16 20 2 0 0 0 19 21 1 0 0 0 20 22 1 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 21 25 2 0 0 0 23 26 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 26 29 2 0 0 0 5 7 1 0 0 0 18 20 1 0 0 0 M CHG 1 1 1 M END