KEGG:C09112 Ingenol ISISHOST03240423212D 1 1.00000 0.00000 8152 27 30 0 0 0 999 V2000 -0.4897 0.0793 0.0000 C 0 0 2 0 0 0 0 0 0 -0.6862 -0.7310 0.0000 C 0 0 2 0 0 0 0 0 0 0.2552 0.4241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4966 0.9103 0.0000 C 0 0 1 0 0 0 0 0 0 -1.2000 0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1759 -1.3862 0.0000 C 0 0 1 0 0 0 0 0 0 -1.5138 -0.7931 0.0000 C 0 0 2 0 0 0 0 0 0 -0.9103 -1.5379 0.0000 O 0 0 0 0 0 0 0 0 0 1.0035 0.0552 0.0000 C 0 0 2 0 0 0 0 0 0 0.2655 1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0862 1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0862 1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8310 -0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0.6586 -1.3897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1793 -2.2103 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9552 -1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0.9966 0.8897 0.0000 C 0 0 1 0 0 0 0 0 0 1.1862 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0.5828 1.6103 0.0000 C 0 0 2 0 0 0 0 0 0 -2.6517 0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 1.0103 -2.1414 0.0000 C 0 0 0 0 0 0 0 0 0 1.4103 1.6172 0.0000 C 0 0 3 0 0 0 0 0 0 1.8345 -2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 2.2379 1.6172 0.0000 C 0 0 0 0 0 0 0 0 0 1.8207 2.3414 0.0000 C 0 0 0 0 0 0 0 0 0 1.8379 0.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0.7966 2.4276 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 6 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 2 8 1 1 0 0 9 3 1 6 0 0 3 10 2 0 0 0 4 11 1 0 0 0 4 12 1 6 0 0 5 13 2 0 0 0 6 14 1 0 0 0 6 15 1 1 0 0 7 16 1 1 0 0 9 17 1 0 0 0 9 18 1 0 0 0 11 19 1 0 0 0 13 20 1 0 0 0 14 21 1 0 0 0 17 22 1 0 0 0 21 23 1 0 0 0 22 24 1 0 0 0 22 25 1 0 0 0 7 13 1 0 0 0 14 18 2 0 0 0 17 19 1 0 0 0 19 22 1 0 0 0 17 26 1 6 0 0 19 27 1 6 0 0 M END