KEGG:C08800 Cucurbitacin I ISISHOST03240423212D 1 1.00000 0.00000 7840 40 43 0 0 0 999 V2000 0.2793 -0.4759 0.0000 C 0 0 2 0 0 0 0 0 0 0.2897 0.3310 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4207 -0.8759 0.0000 C 0 0 1 0 0 0 0 0 0 1.6793 -0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0.2690 -1.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0.9966 0.7310 0.0000 C 0 0 2 0 0 0 0 0 0 -0.4069 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0.2828 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1241 -0.4655 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4207 -1.6862 0.0000 C 0 0 0 0 0 0 0 0 0 1.6897 0.3138 0.0000 C 0 0 2 0 0 0 0 0 0 1.0000 1.5414 0.0000 C 0 0 1 0 0 0 0 0 0 -1.1172 0.3448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8276 -0.8690 0.0000 C 0 0 1 0 0 0 0 0 0 -1.1310 -1.2759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1310 -2.0897 0.0000 C 0 0 0 0 0 0 0 0 0 2.3897 0.7276 0.0000 O 0 0 0 0 0 0 0 0 0 1.7000 1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0.2897 1.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0.9966 2.3517 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8138 0.7586 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8310 -1.6793 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5276 -0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 2.4035 1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 1.7000 2.7517 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 -3.2345 -0.8690 0.0000 C 0 0 0 0 0 0 0 0 0 3.1034 1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2345 -1.6793 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9414 -2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1310 -2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9345 -0.4621 0.0000 O 0 0 0 0 0 0 0 0 0 3.8034 1.5310 0.0000 C 0 0 3 0 0 0 0 0 0 -3.9345 -2.0897 0.0000 O 0 0 0 0 0 0 0 0 0 4.5069 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 4.5069 1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 3.8000 0.7207 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4241 -0.0483 0.0000 H 0 0 0 0 0 0 0 0 0 1.7069 1.1517 0.0000 H 0 0 0 0 0 0 0 0 0 -1.8345 -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 2 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 0 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