KEGG:C07849 Methantheline ISISHOST03240423182D 1 1.00000 0.00000 6894 25 27 0 0 0 999 V2000 -0.4310 -0.7034 0.0000 C 0 0 3 0 0 0 0 0 0 -1.1517 -1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0.2793 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4276 0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1517 -1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8655 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0.2724 -1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0.9966 -0.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0.2862 0.5310 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1414 0.5345 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4379 -2.3552 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8655 -2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5828 -1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0.9828 -2.3621 0.0000 C 0 0 0 0 0 0 0 0 0 1.7069 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0.2897 1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5793 -1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 1.7000 -1.9552 0.0000 C 0 0 0 0 0 0 0 0 0 1.0069 1.7655 0.0000 C 0 0 0 0 0 0 0 0 0 1.0103 2.5897 0.0000 N 0 3 3 0 0 0 0 0 0 1.7276 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0.2966 3.0035 0.0000 C 0 0 0 0 0 0 0 0 0 1.7690 2.1345 0.0000 C 0 0 0 0 0 0 0 0 0 1.7310 3.8241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4172 2.5966 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 1 0 0 0 2 5 2 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 4 10 2 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 6 13 2 0 0 0 7 14 1 0 0 0 8 15 2 0 0 0 9 16 1 0 0 0 12 17 2 0 0 0 14 18 2 0 0 0 16 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 20 23 1 0 0 0 21 24 1 0 0 0 22 25 1 0 0 0 7 11 1 0 0 0 13 17 1 0 0 0 15 18 1 0 0 0 M CHG 1 20 1 M END