KEGG:C08921 Aescin ISISHOST03240423212D 1 1.00000 0.00000 7961 82 89 0 0 0 999 V2000 14.1708 -16.1416 0.0000 C 0 0 1 0 0 0 0 0 0 14.1684 -16.9714 0.0000 C 0 0 1 0 0 0 0 0 0 13.4394 -15.7309 0.0000 O 0 0 0 0 0 0 0 0 0 13.4558 -17.3908 0.0000 C 0 0 2 0 0 0 0 0 0 14.8938 -17.3787 0.0000 O 0 0 0 0 0 0 0 0 0 12.7269 -16.1504 0.0000 C 0 0 1 0 0 0 0 0 0 12.7387 -16.9844 0.0000 C 0 0 1 0 0 0 0 0 0 13.4634 -18.2184 0.0000 O 0 0 0 0 0 0 0 0 0 14.9025 -18.2029 0.0000 C 0 0 2 0 0 0 0 0 0 12.0068 -15.7421 0.0000 C 0 0 0 0 0 0 0 0 0 12.0146 -17.4019 0.0000 O 0 0 0 0 0 0 0 0 0 14.1730 -18.6088 0.0000 O 0 0 0 0 0 0 0 0 0 15.6109 -18.6244 0.0000 C 0 0 1 0 0 0 0 0 0 11.9932 -14.9111 0.0000 O 0 0 0 0 0 0 0 0 0 11.2838 -16.1644 0.0000 O 0 0 0 0 0 0 0 0 0 11.3050 -17.8230 0.0000 C 0 0 2 0 0 0 0 0 0 14.1585 -19.4317 0.0000 C 0 0 1 0 0 0 0 0 0 15.5940 -19.4586 0.0000 C 0 0 2 0 0 0 0 0 0 16.3369 -18.2246 0.0000 O 0 0 0 0 0 0 0 0 0 10.5876 -17.3878 0.0000 O 0 0 0 0 0 0 0 0 0 11.2965 -18.6494 0.0000 C 0 0 1 0 0 0 0 0 0 14.8663 -19.8614 0.0000 C 0 0 2 0 0 0 0 0 0 13.4309 -19.8345 0.0000 C 0 0 0 0 0 0 0 0 0 16.3138 -19.8826 0.0000 O 0 0 0 0 0 0 0 0 0 9.8661 -17.8020 0.0000 C 0 0 1 0 0 0 0 0 0 10.5710 -19.0622 0.0000 C 0 0 2 0 0 0 0 0 0 12.0047 -19.0715 0.0000 O 0 0 0 0 0 0 0 0 0 14.8562 -20.6908 0.0000 O 0 0 0 0 0 0 0 0 0 9.8569 -18.6367 0.0000 C 0 0 2 0 0 0 0 0 0 9.1463 -17.3781 0.0000 C 0 0 0 0 0 0 0 0 0 10.5649 -19.8846 0.0000 O 0 0 0 0 0 0 0 0 0 9.1322 -19.0413 0.0000 O 0 0 0 0 0 0 0 0 0 9.1517 -16.5500 0.0000 O 0 0 0 0 0 0 0 0 0 20.6412 -13.2813 0.0000 C 0 0 2 0 0 0 0 0 0 19.9302 -12.8601 0.0000 C 0 0 2 0 0 0 0 0 0 21.3592 -12.8816 0.0000 C 0 0 2 0 0 0 0 0 0 20.6343 -14.1056 0.0000 C 0 0 1 0 0 0 0 0 0 21.3557 -13.6948 0.0000 C 0 0 0 0 0 0 0 0 0 19.2122 -13.2599 0.0000 C 0 0 0 0 0 0 0 0 0 19.9371 -12.0359 0.0000 C 0 0 0 0 0 0 0 0 0 21.3661 -12.0539 0.0000 C 0 0 1 0 0 0 0 0 0 22.0668 -13.3027 0.0000 O 0 0 0 0 0 0 0 0 0 19.9087 -14.5087 0.0000 C 0 0 0 0 0 0 0 0 0 20.6233 -14.9299 0.0000 O 0 0 0 0 0 0 0 0 0 21.3523 -14.5191 0.0000 O 0 0 0 0 0 0 0 0 0 19.1976 -14.0842 0.0000 C 0 0 1 0 0 0 0 0 0 18.4901 -12.8388 0.0000 C 0 0 0 0 0 0 0 0 0 20.6661 -11.6293 0.0000 C 0 0 3 0 0 0 0 0 0 22.0847 -11.6293 0.0000 O 0 0 0 0 0 0 0 0 0 22.7813 -12.8885 0.0000 C 0 0 0 0 0 0 0 0 0 18.4797 -14.5053 0.0000 C 0 0 1 0 0 0 0 0 0 19.1907 -14.9119 0.0000 C 0 0 0 0 0 0 0 0 0 17.7686 -13.2530 0.0000 C 0 0 0 0 0 0 0 0 0 20.8567 -11.0030 0.0000 C 0 0 0 0 0 0 0 0 0 20.3555 -11.0030 0.0000 C 0 0 0 0 0 0 0 0 0 22.0737 -10.8015 0.0000 C 0 0 0 0 0 0 0 0 0 22.7778 -12.0608 0.0000 C 0 0 0 0 0 0 0 0 0 23.4924 -13.3027 0.0000 O 0 0 0 0 0 0 0 0 0 17.7686 -14.0807 0.0000 C 0 0 2 0 0 0 0 0 0 18.4797 -15.3295 0.0000 C 0 0 0 0 0 0 0 0 0 18.4694 -13.6630 0.0000 C 0 0 0 0 0 0 0 0 0 22.7847 -10.3838 0.0000 C 0 0 0 0 0 0 0 0 0 21.3557 -10.3942 0.0000 O 0 0 0 0 0 0 0 0 0 17.0472 -14.4907 0.0000 C 0 0 2 0 0 0 0 0 0 17.7583 -15.7397 0.0000 C 0 0 0 0 0 0 0 0 0 22.7813 -9.5561 0.0000 C 0 0 0 0 0 0 0 0 0 23.5069 -10.7905 0.0000 C 0 0 0 0 0 0 0 0 0 17.0362 -15.3295 0.0000 C 0 0 1 0 0 0 0 0 0 16.3251 -14.0773 0.0000 C 0 0 0 0 0 0 0 0 0 17.0362 -13.6596 0.0000 C 0 0 0 0 0 0 0 0 0 22.0634 -9.1553 0.0000 C 0 0 0 0 0 0 0 0 0 16.3251 -15.7362 0.0000 C 0 0 2 0 0 0 0 0 0 15.6071 -14.4907 0.0000 C 0 0 0 0 0 0 0 0 0 15.6071 -15.3295 0.0000 C 0 0 2 0 0 0 0 0 0 16.5412 -16.5432 0.0000 C 0 0 0 0 0 0 0 0 0 16.1022 -16.5432 0.0000 C 0 0 0 0 0 0 0 0 0 14.8892 -15.7362 0.0000 O 0 0 0 0 0 0 0 0 0 17.1211 -17.1231 0.0000 O 0 0 0 0 0 0 0 0 0 19.9233 -13.6845 0.0000 H 0 0 0 0 0 0 0 0 0 17.7618 -14.9015 0.0000 H 0 0 0 0 0 0 0 0 0 17.0328 -16.1504 0.0000 H 0 0 0 0 0 0 0 0 0 12.7240 -19.4092 0.0000 O 0 0 0 0 0 0 0 0 0 9 12 1 0 0 0 9 13 1 0 0 0 10 14 1 0 0 0 10 15 2 0 0 0 16 11 1 1 0 0 12 17 1 0 0 0 13 18 1 0 0 0 13 19 1 6 0 0 16 20 1 0 0 0 16 21 1 0 0 0 17 22 1 0 0 0 17 23 1 1 0 0 18 24 1 1 0 0 20 25 1 0 0 0 21 26 1 0 0 0 21 27 1 6 0 0 22 28 1 6 0 0 25 29 1 0 0 0 25 30 1 1 0 0 26 31 1 1 0 0 29 32 1 6 0 0 30 33 1 0 0 0 6 7 1 0 0 0 18 22 1 0 0 0 26 29 1 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 2 5 1 6 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 1 0 0 9 5 1 1 0 0 6 10 1 1 0 0 7 11 1 6 0 0 34 35 1 0 0 0 34 36 1 0 0 0 34 37 1 0 0 0 34 38 1 1 0 0 35 39 1 0 0 0 35 40 1 0 0 0 36 41 1 0 0 0 36 42 1 6 0 0 37 43 1 0 0 0 37 44 1 6 0 0 38 45 1 0 0 0 39 46 1 0 0 0 39 47 2 0 0 0 40 48 1 0 0 0 41 49 1 1 0 0 42 50 1 0 0 0 46 51 1 0 0 0 46 52 1 6 0 0 47 53 1 0 0 0 48 54 1 0 0 0 48 55 1 0 0 0 49 56 1 0 0 0 50 57 1 0 0 0 50 58 2 0 0 0 51 59 1 0 0 0 51 60 1 0 0 0 51 61 1 1 0 0 56 62 1 0 0 0 56 63 2 0 0 0 59 64 1 0 0 0 60 65 1 0 0 0 62 66 2 0 0 0 62 67 1 0 0 0 64 68 1 0 0 0 64 69 1 0 0 0 64 70 1 1 0 0 66 71 1 0 0 0 68 72 1 0 0 0 69 73 1 0 0 0 72 74 1 0 0 0 72 75 1 1 0 0 72 76 1 6 0 0 74 77 1 1 0 0 75 78 1 0 0 0 41 48 1 0 0 0 43 46 1 0 0 0 53 59 1 0 0 0 65 68 1 0 0 0 73 74 1 0 0 0 35 79 1 1 0 0 59 80 1 6 0 0 68 81 1 6 0 0 1 77 1 1 0 0 23 82 1 0 0 0 M END