KEGG:C09128 Marrubiin ISISHOST03240423222D 1 1.00000 0.00000 8168 26 29 0 1 0 999 V2000 15.2973 -13.9635 0.0000 C 0 0 1 0 0 0 0 0 0 15.3008 -14.7829 0.0000 C 0 0 1 0 0 0 0 0 0 16.0133 -13.5517 0.0000 C 0 0 2 0 0 0 0 0 0 14.5848 -13.5517 0.0000 C 0 0 0 0 0 0 0 0 0 15.2904 -13.1406 0.0000 C 0 0 0 0 0 0 0 0 0 16.0133 -15.1905 0.0000 C 0 0 1 0 0 0 0 0 0 14.5848 -15.1905 0.0000 C 0 0 1 0 0 0 0 0 0 16.7147 -13.9704 0.0000 C 0 0 1 0 0 0 0 0 0 16.0201 -12.7358 0.0000 C 0 0 0 0 0 0 0 0 0 16.7974 -13.3379 0.0000 O 0 0 0 0 0 0 0 0 0 13.8764 -13.9635 0.0000 C 0 0 0 0 0 0 0 0 0 16.7147 -14.7898 0.0000 C 0 0 0 0 0 0 0 0 0 13.8764 -14.7829 0.0000 C 0 0 0 0 0 0 0 0 0 13.9971 -15.7712 0.0000 C 0 0 0 0 0 0 0 0 0 17.5306 -13.9669 0.0000 C 0 0 0 0 0 0 0 0 0 16.7252 -12.3250 0.0000 C 0 0 0 0 0 0 0 0 0 16.6896 -11.5026 0.0000 C 0 0 0 0 0 0 0 0 0 15.9499 -11.1754 0.0000 C 0 0 0 0 0 0 0 0 0 17.2330 -10.8981 0.0000 C 0 0 0 0 0 0 0 0 0 16.0325 -10.3627 0.0000 C 0 0 0 0 0 0 0 0 0 16.8304 -10.1958 0.0000 O 0 0 0 0 0 0 0 0 0 15.2973 -15.6161 0.0000 H 0 0 0 0 0 0 0 0 0 16.7319 -15.6092 0.0000 H 0 0 0 0 0 0 0 0 0 15.7917 -15.9958 0.0000 O 0 0 0 0 0 0 0 0 0 14.8000 -15.9958 0.0000 C 0 0 0 0 0 0 0 0 0 14.2889 -16.6624 0.0000 O 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 1 5 1 1 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 1 0 0 3 10 1 6 0 0 4 11 1 0 0 0 6 12 1 0 0 0 7 13 1 0 0 0 7 14 1 6 0 0 8 15 1 6 0 0 9 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 17 19 2 0 0 0 18 20 2 0 0 0 19 21 1 0 0 0 8 12 1 0 0 0 11 13 1 0 0 0 20 21 1 0 0 0 2 22 1 6 0 0 6 23 1 6 0 0 6 24 1 0 0 0 1 2 1 0 0 0 7 25 1 0 0 0 25 24 1 0 0 0 1 3 1 0 0 0 25 26 2 0 0 0 M END