KEGG:C09488 Ivalin ISISHOST03240423232D 1 1.00000 0.00000 8530 21 23 0 1 0 999 V2000 -0.5690 0.4759 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5724 -0.3517 0.0000 C 0 0 1 0 0 0 0 0 0 0.1448 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2828 0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5759 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0.1379 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2828 -0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0.8586 0.4690 0.0000 C 0 0 2 0 0 0 0 0 0 -2.0000 0.4759 0.0000 C 0 0 2 0 0 0 0 0 0 0.8586 -0.3586 0.0000 C 0 0 1 0 0 0 0 0 0 -2.0000 -0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2793 -1.5897 0.0000 C 0 0 0 0 0 0 0 0 0 1.6448 0.7207 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7138 0.8862 0.0000 O 0 0 0 0 0 0 0 0 0 1.6448 -0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 2.1310 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 1.8966 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 2.9552 0.0517 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5828 -1.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0.8517 1.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0.8517 -1.1828 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 1 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 4 9 1 0 0 0 6 10 1 0 0 0 7 11 1 0 0 0 7 12 2 0 0 0 8 13 1 0 0 0 9 14 1 6 0 0 10 15 1 0 0 0 13 16 1 0 0 0 15 17 2 0 0 0 16 18 2 0 0 0 8 10 1 0 0 0 9 11 1 0 0 0 15 16 1 0 0 0 2 19 1 6 0 0 8 20 1 6 0 0 10 21 1 6 0 0 M END