KEGG:C01527 Scopolin ISISHOST03240423042D 1 1.00000 0.00000 1401 25 27 0 1 0 999 V2000 0.6241 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0.6241 1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 1.2724 0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2172 -0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 1.2724 1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0276 1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 1.9310 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1483 -0.5207 0.0000 C 0 0 2 0 0 0 0 0 0 1.9310 1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0276 2.3138 0.0000 C 0 0 0 0 0 0 0 0 0 2.5931 0.0483 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8035 -0.1483 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1483 -1.2690 0.0000 C 0 0 1 0 0 0 0 0 0 2.5862 1.5724 0.0000 C 0 0 0 0 0 0 0 0 0 3.2552 0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4517 -0.5207 0.0000 C 0 0 1 0 0 0 0 0 0 -1.8035 -1.6483 0.0000 C 0 0 2 0 0 0 0 0 0 -0.4966 -1.6483 0.0000 O 0 0 0 0 0 0 0 0 0 3.2483 1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 3.9034 0.0517 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4517 -1.2690 0.0000 C 0 0 2 0 0 0 0 0 0 -3.0966 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8035 -2.3966 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0966 -1.6483 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6690 -0.6310 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 8 4 1 1 0 0 5 9 1 0 0 0 6 10 1 0 0 0 7 11 1 0 0 0 8 12 1 0 0 0 8 13 1 0 0 0 9 14 1 0 0 0 11 15 1 0 0 0 12 16 1 0 0 0 13 17 1 0 0 0 13 18 1 6 0 0 14 19 2 0 0 0 15 20 2 0 0 0 16 21 1 0 0 0 16 22 1 1 0 0 17 23 1 1 0 0 21 24 1 6 0 0 22 25 1 0 0 0 7 9 2 0 0 0 15 19 1 0 0 0 17 21 1 0 0 0 M END