KEGG:C08791 Carnosifloside III ISISHOST03240423212D 1 1.00000 0.00000 7831 69 75 0 0 0 999 V2000 -1.4793 -0.7345 0.0000 C 0 0 2 0 0 0 0 0 0 -1.9138 -0.4828 0.0000 C 0 0 2 0 0 0 0 0 0 -1.0379 -0.4828 0.0000 C 0 0 1 0 0 0 0 0 0 -1.4793 -1.2414 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3552 -0.7310 0.0000 C 0 0 1 0 0 0 0 0 0 -1.9103 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9172 -0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0310 0.0172 0.0000 C 0 0 2 0 0 0 0 0 0 -0.1690 -0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0414 -0.9897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9172 -1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3552 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7897 -0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4690 0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3483 0.2828 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5966 0.2655 0.0000 C 0 0 2 0 0 0 0 0 0 -1.0379 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1621 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7897 -1.4897 0.0000 C 0 0 3 0 0 0 0 0 0 -3.2276 -0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5897 0.7724 0.0000 C 0 0 1 0 0 0 0 0 0 -3.2276 -1.2379 0.0000 C 0 0 2 0 0 0 0 0 0 -2.5379 -1.9310 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0448 -1.9310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1517 1.0172 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0241 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6655 -1.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0.2862 0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1034 -1.7448 0.0000 C 0 0 2 0 0 0 0 0 0 0.7241 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5448 -1.4931 0.0000 O 0 0 0 0 0 0 0 0 0 -4.1034 -2.2517 0.0000 C 0 0 1 0 0 0 0 0 0 1.1586 0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 -4.9828 -1.7483 0.0000 C 0 0 1 0 0 0 0 0 0 -4.5448 -2.5035 0.0000 C 0 0 2 0 0 0 0 0 0 -3.6655 -2.5035 0.0000 O 0 0 0 0 0 0 0 0 0 1.5966 0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 1.1517 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 -4.9828 -2.2552 0.0000 C 0 0 2 0 0 0 0 0 0 -5.4207 -1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5414 -3.0138 0.0000 O 0 0 0 0 0 0 0 0 0 2.0345 0.7345 0.0000 O 0 0 0 0 0 0 0 0 0 -5.4207 -2.5103 0.0000 O 0 0 0 0 0 0 0 0 0 -5.8586 -1.7483 0.0000 O 0 0 0 0 0 0 0 0 0 2.4690 0.9897 0.0000 C 0 0 2 0 0 0 0 0 0 2.9103 0.7414 0.0000 O 0 0 0 0 0 0 0 0 0 2.4759 1.4931 0.0000 C 0 0 1 0 0 0 0 0 0 3.3448 0.9897 0.0000 C 0 0 2 0 0 0 0 0 0 2.9103 1.7483 0.0000 C 0 0 2 0 0 0 0 0 0 2.0345 1.7517 0.0000 O 0 0 0 0 0 0 0 0 0 3.7862 0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 3.3448 1.4931 0.0000 C 0 0 2 0 0 0 0 0 0 2.9103 2.2552 0.0000 O 0 0 0 0 0 0 0 0 0 4.2207 0.9966 0.0000 O 0 0 0 0 0 0 0 0 0 3.7862 1.7483 0.0000 O 0 0 0 0 0 0 0 0 0 4.6552 1.2483 0.0000 C 0 0 2 0 0 0 0 0 0 5.0966 0.9966 0.0000 O 0 0 0 0 0 0 0 0 0 4.6621 1.7552 0.0000 C 0 0 1 0 0 0 0 0 0 5.5379 1.2517 0.0000 C 0 0 1 0 0 0 0 0 0 5.1000 2.0103 0.0000 C 0 0 2 0 0 0 0 0 0 4.2241 2.0103 0.0000 O 0 0 0 0 0 0 0 0 0 5.5379 1.7586 0.0000 C 0 0 2 0 0 0 0 0 0 5.9759 0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 5.1000 2.5172 0.0000 O 0 0 0 0 0 0 0 0 0 5.9724 2.0069 0.0000 O 0 0 0 0 0 0 0 0 0 6.4172 1.2483 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4862 -0.2241 0.0000 H 0 0 0 0 0 0 0 0 0 -2.3586 -0.2241 0.0000 H 0 0 0 0 0 0 0 0 0 -0.1138 0.3966 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 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 2 7 1 1 0 0 3 8 1 0 0 0 3 9 1 0 0 0 3 10 1 6 0 0 4 11 1 0 0 0 5 12 1 0 0 0 5 13 1 0 0 0 6 14 1 0 0 0 6 15 2 0 0 0 8 16 1 0 0 0 8 17 1 1 0 0 9 18 1 0 0 0 12 19 1 0 0 0 13 20 1 0 0 0 16 21 1 0 0 0 19 22 1 0 0 0 19 23 1 0 0 0 19 24 1 0 0 0 21 25 1 0 0 0 21 26 1 6 0 0 22 27 1 1 0 0 25 28 1 0 0 0 29 27 1 1 0 0 28 30 1 0 0 0 29 31 1 0 0 0 29 32 1 0 0 0 30 33 2 0 0 0 31 34 1 0 0 0 32 35 1 0 0 0 32 36 1 6 0 0 33 37 1 0 0 0 33 38 1 0 0 0 34 39 1 0 0 0 34 40 1 1 0 0 35 41 1 1 0 0 37 42 1 0 0 0 39 43 1 6 0 0 40 44 1 0 0 0 45 42 1 1 0 0 45 46 1 0 0 0 45 47 1 0 0 0 46 48 1 0 0 0 47 49 1 0 0 0 47 50 1 6 0 0 48 51 1 1 0 0 48 52 1 0 0 0 49 53 1 1 0 0 51 54 1 0 0 0 52 55 1 6 0 0 56 54 1 1 0 0 56 57 1 0 0 0 56 58 1 0 0 0 57 59 1 0 0 0 58 60 1 0 0 0 58 61 1 6 0 0 59 62 1 0 0 0 59 63 1 1 0 0 60 64 1 1 0 0 62 65 1 6 0 0 63 66 1 0 0 0 8 14 1 0 0 0 11 12 2 0 0 0 16 18 1 0 0 0 20 22 1 0 0 0 35 39 1 0 0 0 49 52 1 0 0 0 60 62 1 0 0 0 1 67 1 1 0 0 5 68 1 6 0 0 16 69 1 6 0 0 M END