KEGG:C09080 Daphnetoxin ISISHOST03240423212D 1 1.00000 0.00000 8120 38 44 0 0 0 999 V2000 -0.4000 -0.4414 0.0000 C 0 0 2 0 0 0 0 0 0 0.2724 -0.8069 0.0000 C 0 0 1 0 0 0 0 0 0 -1.0276 -0.7586 0.0000 C 0 0 1 0 0 0 0 0 0 0.2586 -0.0586 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4207 0.3172 0.0000 C 0 0 1 0 0 0 0 0 0 0.4103 -1.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0.9172 -0.4000 0.0000 C 0 0 2 0 0 0 0 0 0 -1.2931 -1.4621 0.0000 C 0 0 2 0 0 0 0 0 0 -1.6172 -0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0.8862 1.8690 0.0000 C 0 0 3 0 0 0 0 0 0 0.2276 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0897 0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0966 -2.1103 0.0000 C 0 0 2 0 0 0 0 0 0 0.6517 -2.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0.9000 0.3552 0.0000 C 0 0 2 0 0 0 0 0 0 1.6448 -0.5966 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8552 -2.0793 0.0000 C 0 0 1 0 0 0 0 0 0 -2.0483 -1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4931 -2.1931 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2414 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0.8897 1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0.8828 2.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0.2793 -2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 1.5448 0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8621 -2.8345 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5207 -2.0172 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9517 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 1.5310 3.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0.2241 2.9966 0.0000 C 0 0 0 0 0 0 0 0 0 1.0379 -2.7621 0.0000 O 0 0 0 0 0 0 0 0 0 1.5345 1.4931 0.0000 C 0 0 0 0 0 0 0 0 0 2.2034 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 1.5276 3.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0.2241 3.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0.8759 4.1345 0.0000 C 0 0 0 0 0 0 0 0 0 1.0035 -0.9966 0.0000 H 0 0 0 0 0 0 0 0 0 -1.0310 0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 1.1345 -1.7379 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 6 0 0 1 5 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 1 6 0 0 6 13 1 0 0 0 6 14 1 0 0 0 7 15 1 0 0 0 7 16 1 6 0 0 8 17 1 0 0 0 8 18 1 0 0 0 8 19 1 1 0 0 9 20 2 0 0 0 10 21 1 0 0 0 10 22 1 0 0 0 13 23 1 1 0 0 15 24 1 1 0 0 17 25 1 1 0 0 18 26 2 0 0 0 20 27 1 0 0 0 22 28 1 0 0 0 22 29 2 0 0 0 23 30 1 0 0 0 24 31 1 0 0 0 24 32 2 0 0 0 28 33 2 0 0 0 29 34 1 0 0 0 33 35 1 0 0 0 10 16 1 0 0 0 11 15 1 0 0 0 13 14 1 0 0 0 13 17 1 0 0 0 15 21 1 6 0 0 18 20 1 0 0 0 34 35 2 0 0 0 2 36 1 1 0 0 3 37 1 6 0 0 6 38 1 1 0 0 M END