KEGG:C09705 Patchouli alcohol ISISHOST03240423232D 1 1.00000 0.00000 8747 16 18 0 1 0 999 V2000 0.2069 -0.0931 0.0000 C 0 0 2 0 0 0 0 0 0 0.2069 0.7379 0.0000 C 0 0 3 0 0 0 0 0 0 -0.5103 -0.5103 0.0000 C 0 0 3 0 0 0 0 0 0 0.9172 -0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6000 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0.6103 0.0207 0.0000 C 0 0 3 0 0 0 0 0 0 -0.5103 1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0.9172 1.1517 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1034 -1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2310 -0.0931 0.0000 C 0 0 2 0 0 0 0 0 0 1.3241 -1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0.6069 -0.8103 0.0000 C 0 0 3 0 0 0 0 0 0 1.3276 0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0.0207 0.6103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2310 0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9483 -0.5103 0.0000 C 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 1 5 1 6 0 0 2 6 1 0 0 0 2 7 1 0 0 0 2 8 1 0 0 0 3 9 1 0 0 0 3 10 1 0 0 0 4 11 1 0 0 0 6 12 1 0 0 0 6 13 1 0 0 0 6 14 1 0 0 0 7 15 1 0 0 0 10 16 1 1 0 0 9 12 1 0 0 0 10 15 1 0 0 0 11 12 1 0 0 0 M END