KEGG:C09629 beta-Caryophyllene ISISHOST03240423232D 1 1.00000 0.00000 8671 17 18 0 1 0 999 V2000 15.7315 -14.6755 0.0000 C 0 0 1 0 0 0 0 0 0 15.7315 -15.5142 0.0000 C 0 0 2 0 0 0 0 0 0 16.3219 -14.0928 0.0000 C 0 0 0 0 0 0 0 0 0 14.8893 -14.6790 0.0000 C 0 0 3 0 0 0 0 0 0 14.8893 -15.5177 0.0000 C 0 0 0 0 0 0 0 0 0 16.3219 -16.1115 0.0000 C 0 0 0 0 0 0 0 0 0 17.1605 -14.0928 0.0000 C 0 0 0 0 0 0 0 0 0 14.2893 -14.0859 0.0000 C 0 0 0 0 0 0 0 0 0 14.0714 -14.8970 0.0000 C 0 0 0 0 0 0 0 0 0 17.1605 -16.1115 0.0000 C 0 0 0 0 0 0 0 0 0 16.0046 -16.8846 0.0000 C 0 0 0 0 0 0 0 0 0 17.7509 -14.6755 0.0000 C 0 0 0 0 0 0 0 0 0 17.7509 -15.5142 0.0000 C 0 0 0 0 0 0 0 0 0 17.1536 -15.2728 0.0000 C 0 0 0 0 0 0 0 0 0 18.5551 -14.4583 0.0000 C 0 0 0 0 0 0 0 0 0 15.7246 -13.8370 0.0000 H 0 0 0 0 0 0 0 0 0 15.6829 -16.2661 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 0 0 0 4 8 1 0 0 0 4 9 1 0 0 0 6 10 1 0 0 0 6 11 2 0 0 0 7 12 1 0 0 0 10 13 1 0 0 0 12 14 2 0 0 0 12 15 1 0 0 0 4 5 1 0 0 0 13 14 1 0 0 0 1 16 1 1 0 0 2 17 1 6 0 0 M END