KEGG:C00634 Chondroitin 4-sulfate ISISHOST03240423022D 1 1.00000 0.00000 608 32 33 0 1 0 999 V2000 0.8586 0.8138 0.0000 C 0 0 1 0 0 0 0 0 0 0.2069 1.1966 0.0000 C 0 0 2 0 0 0 0 0 0 1.5172 1.1966 0.0000 C 0 0 2 0 0 0 0 0 0 0.8448 -0.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0.2069 1.9552 0.0000 C 0 0 2 0 0 0 0 0 0 -0.4448 0.8276 0.0000 O 0 0 0 0 0 0 0 0 0 1.5172 1.9552 0.0000 C 0 0 1 0 0 0 0 0 0 2.1655 0.8241 0.0000 N 0 0 0 0 0 0 0 0 0 -0.1483 -1.3621 0.0000 C 0 0 2 0 0 0 0 0 0 0.8586 2.3310 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4414 2.3310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1966 0.8276 0.0000 S 0 0 3 0 0 0 0 0 0 2.1655 2.3345 0.0000 O 0 0 0 0 0 0 0 0 0 2.1690 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8034 -0.9862 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1483 -2.1207 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4414 3.0793 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1966 1.5759 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9448 0.8276 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1966 0.0759 0.0000 O 0 0 0 0 0 0 0 0 0 3.9172 1.6310 0.0000 * 0 0 0 0 0 0 0 0 0 2.8172 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 1.5172 -0.3034 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4552 -1.3621 0.0000 C 0 0 1 0 0 0 0 0 0 -0.8034 -2.5035 0.0000 C 0 0 2 0 0 0 0 0 0 0.5034 -2.4931 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4552 -2.1207 0.0000 C 0 0 3 0 0 0 0 0 0 -2.1034 -0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8069 -3.2517 0.0000 O 0 0 0 0 0 0 0 0 0 -3.3103 -2.9207 0.0000 * 0 0 0 0 0 0 0 0 0 -2.1000 -0.2345 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7517 -1.3621 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 1 0 0 2 5 1 0 0 0 2 6 1 1 0 0 3 7 1 0 0 0 3 8 1 6 0 0 9 4 1 1 0 0 5 10 1 0 0 0 5 11 1 1 0 0 6 12 1 0 0 0 7 13 1 1 0 0 8 14 1 0 0 0 9 15 1 0 0 0 9 16 1 0 0 0 11 17 1 0 0 0 12 18 1 0 0 0 12 19 2 0 0 0 12 20 2 0 0 0 13 21 1 0 0 0 14 22 1 0 0 0 14 23 2 0 0 0 15 24 1 0 0 0 16 25 1 0 0 0 16 26 1 6 0 0 24 27 1 0 0 0 24 28 1 1 0 0 25 29 1 1 0 0 27 30 1 0 0 0 28 31 1 0 0 0 28 32 2 0 0 0 7 10 1 0 0 0 25 27 1 0 0 0 M STY 1 1 SRU M SLB 1 1 1 M SCN 1 1 HT M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 22 23 24 25 26 27 28 29 31 32 M SBL 1 2 20 29 M SDI 1 4 -2.3207 -2.9207 -2.3207 -2.0793 M SDI 1 4 3.0517 2.4000 3.0517 1.5793 M END