KEGG:C08691 Indaconitine ISISHOST03240423202D 1 1.00000 0.00000 7731 48 54 0 0 0 999 V2000 -1.1655 -0.0966 0.0000 C 0 0 2 0 0 0 0 0 0 -1.1655 -0.8655 0.0000 C 0 0 1 0 0 0 0 0 0 -1.1759 0.6690 0.0000 C 0 0 3 0 0 0 0 0 0 -0.6138 0.3448 0.0000 C 0 0 1 0 0 0 0 0 0 -1.8276 0.2862 0.0000 C 0 0 2 0 0 0 0 0 0 -1.8276 -1.2483 0.0000 C 0 0 2 0 0 0 0 0 0 -0.5897 -1.3241 0.0000 C 0 0 2 0 0 0 0 0 0 0.1310 -1.1483 0.0000 C 0 0 2 0 0 0 0 0 0 -2.1069 -0.5310 0.0000 N 0 0 3 0 0 0 0 0 0 0.0931 0.1862 0.0000 C 0 0 1 0 0 0 0 0 0 -0.6793 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4966 -0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8276 1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1414 -1.9103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4966 -0.8655 0.0000 C 0 0 1 0 0 0 0 0 0 -1.5276 -1.9103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7552 -2.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0.4414 -0.4517 0.0000 C 0 0 2 0 0 0 0 0 0 -2.7690 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0.4655 0.8069 0.0000 C 0 0 2 0 0 0 0 0 0 -0.0138 1.3517 0.0000 C 0 0 1 0 0 0 0 0 0 -2.4931 1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1586 -1.2483 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5345 -2.6793 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1862 -2.5897 0.0000 C 0 0 0 0 0 0 0 0 0 1.3345 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 1.1000 -0.8310 0.0000 O 0 0 0 0 0 0 0 0 0 -3.4345 -0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 1.7690 1.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0.7103 1.3552 0.0000 C 0 0 2 0 0 0 0 0 0 0.1483 2.0621 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1276 -3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 1.1000 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 2.3966 1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 1.1655 1.9724 0.0000 O 0 0 0 0 0 0 0 0 0 1.7655 -1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0.4345 -1.9793 0.0000 O 0 0 0 0 0 0 0 0 0 3.0207 1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 2.3966 0.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0.8655 2.6759 0.0000 C 0 0 0 0 0 0 0 0 0 3.6414 1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 3.0207 2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 4.2690 1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 3.6414 2.5379 0.0000 C 0 0 0 0 0 0 0 0 0 4.2655 2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1345 -1.5138 0.0000 H 0 0 0 0 0 0 0 0 0 -0.1586 0.8103 0.0000 H 0 0 0 0 0 0 0 0 0 0.8138 0.1897 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 8 3 1 6 0 0 3 9 1 0 0 0 4 10 1 0 0 0 4 11 1 0 0 0 5 12 1 0 0 0 5 13 1 6 0 0 6 14 1 6 0 0 6 15 1 0 0 0 6 16 1 1 0 0 7 17 1 6 0 0 8 18 1 0 0 0 9 19 1 0 0 0 10 20 1 0 0 0 11 21 1 0 0 0 13 22 1 0 0 0 15 23 1 6 0 0 16 24 1 0 0 0 17 25 1 0 0 0 18 26 1 0 0 0 18 27 1 1 0 0 19 28 1 0 0 0 20 29 1 6 0 0 21 30 1 0 0 0 21 31 1 1 0 0 24 32 1 0 0 0 27 33 1 0 0 0 29 34 1 0 0 0 30 35 1 1 0 0 33 36 1 0 0 0 33 37 2 0 0 0 34 38 1 0 0 0 34 39 2 0 0 0 35 40 1 0 0 0 38 41 2 0 0 0 38 42 1 0 0 0 41 43 1 0 0 0 42 44 2 0 0 0 43 45 2 0 0 0 7 8 1 0 0 0 9 14 1 0 0 0 10 18 1 0 0 0 12 15 1 0 0 0 20 21 1 0 0 0 26 30 1 0 0 0 44 45 1 0 0 0 2 46 1 1 0 0 4 47 1 1 0 0 10 48 1 1 0 0 M END