KEGG:C08265 Alliin ISISHOST03240423192D 1 1.00000 0.00000 7308 11 10 0 0 0 999 V2000 0.5862 -0.1103 0.0000 S 0 0 3 0 0 0 0 0 0 -0.1310 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 1.3035 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0.5828 -0.9379 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8448 -0.1138 0.0000 C 0 0 1 0 0 0 0 0 0 2.0207 -0.1069 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5586 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8483 -0.9448 0.0000 N 0 0 0 0 0 0 0 0 0 2.7345 0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2759 -0.1172 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5655 1.1241 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 2 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 5 7 1 0 0 0 5 8 1 6 0 0 6 9 2 0 0 0 7 10 1 0 0 0 7 11 2 0 0 0 M END