KEGG:C09550 Isothebaine ISISHOST03240423232D 1 1.00000 0.00000 8592 24 27 0 1 0 999 V2000 0.5897 0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1207 0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 1.3035 0.0655 0.0000 C 0 0 2 0 0 0 0 0 0 0.5931 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1207 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8414 0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 1.3000 -0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 2.0241 0.4759 0.0000 N 0 0 3 0 0 0 0 0 0 -0.1207 1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 1.3103 1.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0.5862 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8310 -1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8414 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5586 0.0655 0.0000 O 0 0 0 0 0 0 0 0 0 2.0276 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 2.7379 0.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0.5828 -1.9862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8310 -1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5517 -0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5621 1.7241 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1241 -2.3966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2724 -1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2828 1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 2.0172 -0.3448 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 2 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 3 8 1 0 0 0 4 9 2 0 0 0 4 10 1 0 0 0 5 11 2 0 0 0 5 12 1 0 0 0 6 13 2 0 0 0 6 14 1 0 0 0 8 15 1 0 0 0 8 16 1 0 0 0 11 17 1 0 0 0 12 18 2 0 0 0 12 19 1 0 0 0 13 20 1 0 0 0 17 21 2 0 0 0 19 22 1 0 0 0 20 23 1 0 0 0 7 11 1 0 0 0 9 13 1 0 0 0 10 15 1 0 0 0 18 21 1 0 0 0 3 24 1 6 0 0 M END