KEGG:C08796 Cucurbitacin D ISISHOST03240423212D 1 1.00000 0.00000 7836 40 43 0 0 0 999 V2000 0.2828 -0.4793 0.0000 C 0 0 2 0 0 0 0 0 0 0.2931 0.3310 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4172 -0.8793 0.0000 C 0 0 1 0 0 0 0 0 0 1.6828 -0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0.2724 -1.2862 0.0000 C 0 0 0 0 0 0 0 0 0 1.0000 0.7276 0.0000 C 0 0 2 0 0 0 0 0 0 -0.4034 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0.2862 1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1207 -0.4690 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4172 -1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 1.6931 0.3138 0.0000 C 0 0 2 0 0 0 0 0 0 0.9966 1.5379 0.0000 C 0 0 1 0 0 0 0 0 0 -1.1138 0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8241 -0.8690 0.0000 C 0 0 1 0 0 0 0 0 0 -1.1276 -1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1276 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 2.3966 0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 1.6897 1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0.2862 1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0.9897 2.3517 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8103 0.7552 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8276 -1.6828 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5276 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 2.3966 1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 1.6862 2.7552 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5276 -2.0897 0.0000 C 0 0 3 0 0 0 0 0 0 -3.2310 -0.8690 0.0000 C 0 0 1 0 0 0 0 0 0 3.0966 1.9483 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2310 -1.6828 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9379 -2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1276 -2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9345 -0.4655 0.0000 O 0 0 0 0 0 0 0 0 0 3.7966 1.5483 0.0000 C 0 0 3 0 0 0 0 0 0 -3.9310 -2.0897 0.0000 O 0 0 0 0 0 0 0 0 0 4.5000 1.9552 0.0000 C 0 0 0 0 0 0 0 0 0 4.5000 1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 3.7897 0.7345 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4241 -0.0552 0.0000 H 0 0 0 0 0 0 0 0 0 1.7138 1.1448 0.0000 H 0 0 0 0 0 0 0 0 0 -1.8276 -0.0414 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 1 5 1 6 0 0 2 6 1 0 0 0 2 7 1 0 0 0 2 8 1 1 0 0 3 9 1 0 0 0 3 10 1 0 0 0 4 11 1 0 0 0 6 12 1 0 0 0 7 13 1 0 0 0 9 14 1 0 0 0 9 15 1 1 0 0 10 16 1 0 0 0 11 17 1 6 0 0 12 18 1 0 0 0 12 19 1 6 0 0 12 20 1 1 0 0 13 21 2 0 0 0 14 22 1 0 0 0 14 23 1 0 0 0 18 24 1 0 0 0 18 25 2 0 0 0 22 26 1 0 0 0 23 27 1 0 0 0 24 28 2 0 0 0 26 29 1 0 0 0 26 30 1 0 0 0 26 31 1 0 0 0 27 32 1 1 0 0 28 33 1 0 0 0 29 34 2 0 0 0 33 35 1 0 0 0 33 36 1 0 0 0 33 37 1 0 0 0 6 11 1 0 0 0 9 13 1 0 0 0 16 22 2 0 0 0 27 29 1 0 0 0 3 38 1 1 0 0 6 39 1 6 0 0 14 40 1 6 0 0 M END