KEGG:C05856 Thiamine aldehyde ISISHOST03240423132D 1 1.00000 0.00000 4967 18 19 0 0 0 999 V2000 0.6034 0.5345 0.0000 N 0 3 0 0 0 0 0 0 0 1.0241 -0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0862 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 1.0241 1.2241 0.0000 C 0 0 0 0 0 0 0 0 0 1.8276 -0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0.6207 -0.8483 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7690 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 1.8276 1.2241 0.0000 S 0 0 0 0 0 0 0 0 0 2.2207 -0.8483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4586 0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7724 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 1.8138 -1.5345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1517 0.5379 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4621 1.7310 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4655 -0.6655 0.0000 N 0 0 0 0 0 0 0 0 0 2.2103 -2.2207 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1552 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8517 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 7 10 2 0 0 0 7 11 1 0 0 0 9 12 1 0 0 0 10 13 1 0 0 0 10 14 1 0 0 0 11 15 2 0 0 0 12 16 2 0 0 0 13 17 2 0 0 0 17 18 1 0 0 0 5 8 1 0 0 0 15 17 1 0 0 0 M CHG 1 1 1 M END