KEGG:C01852 Secologanin ISISHOST03240423052D 1 1.00000 0.00000 1688 29 30 0 1 0 999 V2000 0.1828 0.5172 0.0000 C 0 0 2 0 0 0 0 0 0 0.1828 1.3276 0.0000 C 0 0 1 0 0 0 0 0 0 0.8793 0.1069 0.0000 C 0 0 2 0 0 0 0 0 0 -0.5138 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0.8793 1.7310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5138 1.7310 0.0000 C 0 0 0 0 0 0 0 0 0 1.4586 -0.8241 0.0000 O 0 0 0 0 0 0 0 0 0 1.5828 0.5172 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2069 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 1.5828 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0.8759 2.5310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2069 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0.4310 -1.3207 0.0000 C 0 0 2 0 0 0 0 0 0 1.5724 2.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0.1759 2.9310 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9000 1.7310 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2655 -0.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0.4310 -2.1207 0.0000 C 0 0 1 0 0 0 0 0 0 2.2655 2.5310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9621 -1.3207 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2655 -2.5276 0.0000 C 0 0 2 0 0 0 0 0 0 1.1310 -2.5276 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9621 -2.1207 0.0000 C 0 0 2 0 0 0 0 0 0 -1.6517 -0.9172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2655 -3.3276 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6517 -2.5276 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2690 -1.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0.1828 -0.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0.1828 2.1345 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 2 0 0 0 5 10 2 0 0 0 5 11 1 0 0 0 6 12 1 0 0 0 13 7 1 1 0 0 11 14 1 0 0 0 11 15 2 0 0 0 12 16 2 0 0 0 13 17 1 0 0 0 13 18 1 0 0 0 14 19 1 0 0 0 17 20 1 0 0 0 18 21 1 0 0 0 18 22 1 6 0 0 20 23 1 0 0 0 20 24 1 1 0 0 21 25 1 1 0 0 23 26 1 6 0 0 24 27 1 0 0 0 8 10 1 0 0 0 21 23 1 0 0 0 1 28 1 1 0 0 2 29 1 1 0 0 M END