KEGG:C01512 Loganate ISISHOST03240423042D 1 1.00000 0.00000 1390 28 30 0 1 0 999 V2000 0.4310 0.8448 0.0000 C 0 0 2 0 0 0 0 0 0 0.4310 1.6035 0.0000 C 0 0 1 0 0 0 0 0 0 1.0828 0.4621 0.0000 C 0 0 2 0 0 0 0 0 0 -0.2897 0.6138 0.0000 C 0 0 2 0 0 0 0 0 0 1.0828 1.9793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2862 1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 1.0690 -0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 1.7379 0.8448 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7276 1.2276 0.0000 C 0 0 2 0 0 0 0 0 0 -0.5241 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 1.7379 1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 1.0793 2.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0.2586 -1.2966 0.0000 C 0 0 2 0 0 0 0 0 0 -1.4793 1.2345 0.0000 O 0 0 0 0 0 0 0 0 0 1.7310 3.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0.4276 3.1000 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3966 -0.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0.2586 -2.0448 0.0000 C 0 0 1 0 0 0 0 0 0 -1.0483 -1.2966 0.0000 C 0 0 1 0 0 0 0 0 0 -0.3966 -2.4241 0.0000 C 0 0 2 0 0 0 0 0 0 0.9069 -2.4241 0.0000 O 0 0 0 0 0 0 0 0 0 -1.0483 -2.0448 0.0000 C 0 0 2 0 0 0 0 0 0 -1.6897 -0.9241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3966 -3.1724 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6897 -2.4241 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2655 -1.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0.4310 0.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0.4310 2.3552 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 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 1 0 0 3 8 1 0 0 0 4 9 1 0 0 0 4 10 1 1 0 0 5 11 2 0 0 0 5 12 1 0 0 0 13 7 1 1 0 0 9 14 1 1 0 0 12 15 1 0 0 0 12 16 2 0 0 0 13 17 1 0 0 0 13 18 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 18 21 1 6 0 0 19 22 1 0 0 0 19 23 1 1 0 0 20 24 1 1 0 0 22 25 1 6 0 0 23 26 1 0 0 0 6 9 1 0 0 0 8 11 1 0 0 0 20 22 1 0 0 0 1 27 1 1 0 0 2 28 1 1 0 0 M END