KEGG:C09066 Cafestol ISISHOST03240423212D 1 1.00000 0.00000 8106 25 29 0 1 0 999 V2000 5.4975 -11.9283 0.0000 C 0 0 2 0 0 0 0 0 0 4.8113 -11.5214 0.0000 C 0 0 2 0 0 0 0 0 0 6.1941 -11.5352 0.0000 C 0 0 0 0 0 0 0 0 0 5.4975 -12.7249 0.0000 C 0 0 0 0 0 0 0 0 0 4.1148 -11.9214 0.0000 C 0 0 1 0 0 0 0 0 0 4.8182 -10.7214 0.0000 C 0 0 0 0 0 0 0 0 0 6.2010 -10.7318 0.0000 C 0 0 1 0 0 0 0 0 0 4.8044 -13.1214 0.0000 C 0 0 0 0 0 0 0 0 0 4.1113 -12.7214 0.0000 C 0 0 2 0 0 0 0 0 0 3.4251 -11.5214 0.0000 C 0 0 0 0 0 0 0 0 0 4.1079 -11.1214 0.0000 C 0 0 0 0 0 0 0 0 0 5.5113 -10.3283 0.0000 C 0 0 0 0 0 0 0 0 0 2.7286 -11.9214 0.0000 C 0 0 0 0 0 0 0 0 0 4.8044 -12.3456 0.0000 H 0 0 0 0 0 0 0 0 0 4.1044 -13.5456 0.0000 H 0 0 0 0 0 0 0 0 0 3.4255 -13.1171 0.0000 C 0 0 0 0 0 0 0 0 0 2.7320 -12.7214 0.0000 C 0 0 0 0 0 0 0 0 0 2.1414 -13.2586 0.0000 O 0 0 0 0 0 0 0 0 0 2.4699 -13.9863 0.0000 C 0 0 0 0 0 0 0 0 0 3.2634 -13.8989 0.0000 C 0 0 0 0 0 0 0 0 0 6.2083 -12.3375 0.0000 C 0 0 0 0 0 0 0 0 0 6.9125 -11.1417 0.0000 C 0 0 2 0 0 0 0 0 0 7.6250 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 8.3375 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 7.6250 -11.5542 0.0000 O 0 0 0 0 0 0 0 0 0 5 11 1 6 0 0 6 12 1 0 0 0 9 16 1 0 0 0 10 13 1 0 0 0 7 12 1 0 0 0 8 9 1 0 0 0 13 17 1 0 0 0 2 14 1 1 0 0 9 15 1 1 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 16 17 2 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 16 1 0 0 0 2 6 1 0 0 0 1 21 1 1 0 0 3 7 1 0 0 0 7 22 1 1 0 0 21 22 1 0 0 0 4 8 1 0 0 0 22 23 1 1 0 0 5 9 1 0 0 0 23 24 1 0 0 0 5 10 1 0 0 0 22 25 1 6 0 0 M END