KEGG:C08692 Jesaconitine ISISHOST03240423202D 1 1.00000 0.00000 7732 51 57 0 0 0 999 V2000 -1.4345 -0.1862 0.0000 C 0 0 1 0 0 0 0 0 0 -1.4345 -0.9586 0.0000 C 0 0 1 0 0 0 0 0 0 -0.8759 0.2586 0.0000 C 0 0 1 0 0 0 0 0 0 -1.4448 0.5828 0.0000 C 0 0 3 0 0 0 0 0 0 -2.0966 0.2000 0.0000 C 0 0 2 0 0 0 0 0 0 -2.0966 -1.3414 0.0000 C 0 0 2 0 0 0 0 0 0 -0.8552 -1.4172 0.0000 C 0 0 2 0 0 0 0 0 0 -0.1655 0.1000 0.0000 C 0 0 1 0 0 0 0 0 0 -0.9414 0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1276 -1.2414 0.0000 C 0 0 2 0 0 0 0 0 0 -2.3793 -0.6207 0.0000 N 0 0 3 0 0 0 0 0 0 -2.7690 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0966 0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4138 -2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7690 -0.9586 0.0000 C 0 0 1 0 0 0 0 0 0 -1.7966 -2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0207 -2.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0.1828 -0.5414 0.0000 C 0 0 1 0 0 0 0 0 0 0.2069 0.7207 0.0000 C 0 0 2 0 0 0 0 0 0 -0.2724 1.2690 0.0000 C 0 0 1 0 0 0 0 0 0 -3.0448 -0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7655 1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4345 -1.3414 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8035 -2.7828 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4448 -2.6931 0.0000 C 0 0 0 0 0 0 0 0 0 1.0793 -0.1241 0.0000 C 0 0 2 0 0 0 0 0 0 0.8448 -0.9241 0.0000 O 0 0 0 0 0 0 0 0 0 1.5172 1.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0.4552 1.2724 0.0000 C 0 0 2 0 0 0 0 0 0 -0.1103 1.9828 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7103 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4000 -3.1172 0.0000 C 0 0 0 0 0 0 0 0 0 1.7517 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0.8448 -1.6965 0.0000 C 0 0 0 0 0 0 0 0 0 2.1483 1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0.9103 1.8931 0.0000 O 0 0 0 0 0 0 0 0 0 1.5138 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0.1759 -2.0793 0.0000 O 0 0 0 0 0 0 0 0 0 2.7724 1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 2.1483 0.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0.6103 2.6034 0.0000 C 0 0 0 0 0 0 0 0 0 3.4000 1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 2.7724 2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 4.0310 1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 3.4000 2.4586 0.0000 C 0 0 0 0 0 0 0 0 0 4.0276 2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 4.6448 2.4586 0.0000 O 0 0 0 0 0 0 0 0 0 5.2690 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4034 -1.6069 0.0000 H 0 0 0 0 0 0 0 0 0 -0.4172 0.7241 0.0000 H 0 0 0 0 0 0 0 0 0 0.5586 0.1034 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 6 0 0 1 5 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 10 4 1 6 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 8 19 1 0 0 0 9 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 6 0 0 20 29 1 0 0 0 20 30 1 1 0 0 21 31 1 0 0 0 24 32 1 0 0 0 26 33 1 6 0 0 27 34 1 0 0 0 28 35 1 0 0 0 29 36 1 1 0 0 34 37 1 0 0 0 34 38 2 0 0 0 35 39 1 0 0 0 35 40 2 0 0 0 36 41 1 0 0 0 39 42 2 0 0 0 39 43 1 0 0 0 42 44 1 0 0 0 43 45 2 0 0 0 44 46 2 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 7 10 1 0 0 0 10 18 1 0 0 0 11 14 1 0 0 0 12 15 1 0 0 0 19 20 1 0 0 0 26 29 1 0 0 0 45 46 1 0 0 0 2 49 1 1 0 0 3 50 1 1 0 0 8 51 1 1 0 0 M END