KEGG:C00765 Digitonin ISISHOST03240423032D 1 1.00000 0.00000 728 91101 0 1 0 999 V2000 2.8828 2.9241 0.0000 C 0 0 2 0 0 0 0 0 0 3.4310 3.2379 0.0000 C 0 0 2 0 0 0 0 0 0 2.8828 2.3000 0.0000 C 0 0 2 0 0 0 0 0 0 2.3379 3.2345 0.0000 C 0 0 0 0 0 0 0 0 0 2.8793 3.5379 0.0000 C 0 0 0 0 0 0 0 0 0 3.9690 2.9207 0.0000 C 0 0 2 0 0 0 0 0 0 3.4310 3.8690 0.0000 C 0 0 1 0 0 0 0 0 0 2.3414 1.9828 0.0000 C 0 0 1 0 0 0 0 0 0 3.9655 2.2966 0.0000 C 0 0 1 0 0 0 0 0 0 1.8069 2.9483 0.0000 C 0 0 0 0 0 0 0 0 0 4.4966 3.2345 0.0000 O 0 0 0 0 0 0 0 0 0 4.5034 3.8621 0.0000 C 0 0 2 0 0 0 0 0 0 3.0035 4.2966 0.0000 C 0 0 0 0 0 0 0 0 0 1.8035 2.2897 0.0000 C 0 0 2 0 0 0 0 0 0 2.3517 1.4517 0.0000 C 0 0 0 0 0 0 0 0 0 4.4000 1.8621 0.0000 O 0 0 0 0 0 0 0 0 0 4.9724 4.0138 0.0000 C 0 0 0 0 0 0 0 0 0 4.9414 4.5069 0.0000 O 0 0 0 0 0 0 0 0 0 1.2655 1.9793 0.0000 C 0 0 2 0 0 0 0 0 0 1.8069 1.0517 0.0000 C 0 0 0 0 0 0 0 0 0 5.6690 3.8034 0.0000 C 0 0 0 0 0 0 0 0 0 5.4379 4.1621 0.0000 C 0 0 0 0 0 0 0 0 0 1.2655 1.3586 0.0000 C 0 0 1 0 0 0 0 0 0 0.7310 2.2862 0.0000 C 0 0 0 0 0 0 0 0 0 1.2586 2.5897 0.0000 C 0 0 0 0 0 0 0 0 0 5.9759 4.3517 0.0000 C 0 0 3 0 0 0 0 0 0 0.7310 1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0.2000 1.9793 0.0000 C 0 0 2 0 0 0 0 0 0 6.4793 4.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0.2000 1.3586 0.0000 C 0 0 2 0 0 0 0 0 0 -0.3276 2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3310 1.0586 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8621 0.7483 0.0000 C 0 0 2 0 0 0 0 0 0 -1.4000 1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8621 0.1276 0.0000 C 0 0 1 0 0 0 0 0 0 -1.9276 0.7483 0.0000 C 0 0 1 0 0 0 0 0 0 -1.4000 -0.1862 0.0000 C 0 0 2 0 0 0 0 0 0 -0.3310 -0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9276 0.1276 0.0000 C 0 0 1 0 0 0 0 0 0 -2.4586 1.0517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4000 -0.7931 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4621 -0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4586 1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9862 -0.4793 0.0000 C 0 0 1 0 0 0 0 0 0 -2.9862 -1.1000 0.0000 C 0 0 1 0 0 0 0 0 0 -3.5241 -0.1759 0.0000 O 0 0 0 0 0 0 0 0 0 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-3.1897 0.0000 C 0 0 1 0 0 0 0 0 0 -4.7379 -4.1138 0.0000 O 0 0 0 0 0 0 0 0 0 1.1172 -1.9621 0.0000 C 0 0 2 0 0 0 0 0 0 0.0310 -3.0276 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5621 -3.9448 0.0000 O 0 0 0 0 0 0 0 0 0 -5.7966 -3.4897 0.0000 O 0 0 0 0 0 0 0 0 0 1.1172 -2.5793 0.0000 O 0 0 0 0 0 0 0 0 0 1.6517 -1.6483 0.0000 C 0 0 1 0 0 0 0 0 0 1.6483 -2.8862 0.0000 C 0 0 1 0 0 0 0 0 0 2.1897 -1.9621 0.0000 C 0 0 2 0 0 0 0 0 0 1.6517 -1.0414 0.0000 O 0 0 0 0 0 0 0 0 0 2.1793 -2.5724 0.0000 C 0 0 2 0 0 0 0 0 0 1.6414 -3.4931 0.0000 C 0 0 0 0 0 0 0 0 0 2.7172 -1.6586 0.0000 O 0 0 0 0 0 0 0 0 0 2.7103 -2.8862 0.0000 O 0 0 0 0 0 0 0 0 0 1.1172 -3.7966 0.0000 O 0 0 0 0 0 0 0 0 0 3.9517 3.5448 0.0000 H 0 0 0 0 0 0 0 0 0 2.8793 1.6862 0.0000 H 0 0 0 0 0 0 0 0 0 4.4966 2.6172 0.0000 H 0 0 0 0 0 0 0 0 0 2.3379 2.5931 0.0000 H 0 0 0 0 0 0 0 0 0 1.8000 1.6828 0.0000 H 0 0 0 0 0 0 0 0 0 1.2586 0.7483 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 1 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 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