KEGG:C06955 Digitoxin ISISHOST03240423162D 1 1.00000 0.00000 6008 58 65 0 1 0 999 V2000 17.3761 -11.4618 0.0000 C 0 0 0 0 0 0 0 0 0 18.1770 -11.4615 0.0000 C 0 0 0 0 0 0 0 0 0 18.4234 -10.7012 0.0000 C 0 0 0 0 0 0 0 0 0 17.7739 -10.2283 0.0000 O 0 0 0 0 0 0 0 0 0 17.1291 -10.7018 0.0000 C 0 0 0 0 0 0 0 0 0 16.6745 -13.4569 0.0000 C 0 0 2 0 0 0 0 0 0 15.9708 -13.8587 0.0000 C 0 0 1 0 0 0 0 0 0 16.6814 -12.6539 0.0000 C 0 0 1 0 0 0 0 0 0 18.0637 -13.4749 0.0000 C 0 0 0 0 0 0 0 0 0 16.6530 -14.3807 0.0000 O 0 0 0 0 0 0 0 0 0 15.2852 -13.4466 0.0000 C 0 0 1 0 0 0 0 0 0 15.9708 -14.6583 0.0000 C 0 0 0 0 0 0 0 0 0 17.3815 -12.2630 0.0000 C 0 0 2 0 0 0 0 0 0 15.9888 -12.2486 0.0000 C 0 0 0 0 0 0 0 0 0 16.6924 -11.7977 0.0000 C 0 0 0 0 0 0 0 0 0 18.0781 -12.6753 0.0000 C 0 0 0 0 0 0 0 0 0 14.5816 -13.8553 0.0000 C 0 0 2 0 0 0 0 0 0 15.2887 -12.6470 0.0000 C 0 0 0 0 0 0 0 0 0 15.2776 -15.0706 0.0000 C 0 0 0 0 0 0 0 0 0 14.5740 -14.6583 0.0000 C 0 0 2 0 0 0 0 0 0 13.8849 -13.4466 0.0000 C 0 0 0 0 0 0 0 0 0 14.6134 -12.9453 0.0000 C 0 0 0 0 0 0 0 0 0 13.8849 -15.0671 0.0000 C 0 0 0 0 0 0 0 0 0 13.1779 -13.8553 0.0000 C 0 0 0 0 0 0 0 0 0 13.1779 -14.6583 0.0000 C 0 0 2 0 0 0 0 0 0 12.4846 -15.0706 0.0000 O 0 0 0 0 0 0 0 0 0 11.6712 -14.6549 0.0000 C 0 0 1 0 0 0 0 0 0 10.9746 -15.0560 0.0000 C 0 0 0 0 0 0 0 0 0 11.6712 -13.8477 0.0000 O 0 0 0 0 0 0 0 0 0 10.2745 -14.6549 0.0000 C 0 0 1 0 0 0 0 0 0 10.9746 -13.4431 0.0000 C 0 0 1 0 0 0 0 0 0 10.2745 -13.8477 0.0000 C 0 0 1 0 0 0 0 0 0 9.5742 -15.0560 0.0000 O 0 0 0 0 0 0 0 0 0 10.9746 -12.6290 0.0000 C 0 0 0 0 0 0 0 0 0 9.5426 -13.4038 0.0000 O 0 0 0 0 0 0 0 0 0 8.7747 -13.8477 0.0000 C 0 0 1 0 0 0 0 0 0 8.0788 -13.4431 0.0000 C 0 0 0 0 0 0 0 0 0 8.7747 -14.6549 0.0000 O 0 0 0 0 0 0 0 0 0 7.3786 -13.8477 0.0000 C 0 0 1 0 0 0 0 0 0 8.0788 -15.0560 0.0000 C 0 0 1 0 0 0 0 0 0 7.3786 -14.6549 0.0000 C 0 0 1 0 0 0 0 0 0 6.6784 -13.4355 0.0000 O 0 0 0 0 0 0 0 0 0 8.0822 -15.8667 0.0000 C 0 0 0 0 0 0 0 0 0 6.7247 -15.1092 0.0000 O 0 0 0 0 0 0 0 0 0 5.9783 -14.6549 0.0000 C 0 0 1 0 0 0 0 0 0 5.2816 -15.0560 0.0000 C 0 0 0 0 0 0 0 0 0 5.9783 -13.8477 0.0000 O 0 0 0 0 0 0 0 0 0 4.5893 -14.6549 0.0000 C 0 0 1 0 0 0 0 0 0 5.2816 -13.4431 0.0000 C 0 0 1 0 0 0 0 0 0 4.5893 -13.8477 0.0000 C 0 0 1 0 0 0 0 0 0 3.8944 -15.0560 0.0000 O 0 0 0 0 0 0 0 0 0 5.2816 -12.6290 0.0000 C 0 0 0 0 0 0 0 0 0 3.8944 -13.4431 0.0000 O 0 0 0 0 0 0 0 0 0 15.9991 -13.0344 0.0000 H 0 0 0 0 0 0 0 0 0 15.2638 -14.2992 0.0000 H 0 0 0 0 0 0 0 0 0 14.5706 -15.6457 0.0000 H 0 0 0 0 0 0 0 0 0 18.1500 -12.0500 0.0000 H 0 0 0 0 0 0 0 0 0 19.1917 -10.4875 0.0000 O 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 6 9 1 0 0 0 6 10 1 1 0 0 7 11 1 0 0 0 7 12 1 0 0 0 8 13 1 0 0 0 8 14 1 0 0 0 8 15 1 1 0 0 9 16 1 0 0 0 11 17 1 0 0 0 11 18 1 0 0 0 12 19 1 0 0 0 17 20 1 0 0 0 17 21 1 0 0 0 17 22 1 1 0 0 20 23 1 0 0 0 21 24 1 0 0 0 23 25 1 0 0 0 25 26 1 1 0 0 27 26 1 1 0 0 27 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 30 32 1 0 0 0 30 33 1 6 0 0 31 34 1 1 0 0 32 35 1 6 0 0 36 35 1 6 0 0 36 37 1 0 0 0 36 38 1 0 0 0 37 39 1 0 0 0 38 40 1 0 0 0 39 41 1 0 0 0 39 42 1 1 0 0 40 43 1 6 0 0 41 44 1 1 0 0 45 44 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 48 50 1 0 0 0 48 51 1 6 0 0 49 52 1 1 0 0 50 53 1 6 0 0 13 16 1 0 0 0 14 18 1 0 0 0 19 20 1 0 0 0 24 25 1 0 0 0 31 32 1 0 0 0 40 41 1 0 0 0 49 50 1 0 0 0 7 54 1 1 0 0 11 55 1 6 0 0 20 56 1 1 0 0 3 4 1 0 0 0 13 57 1 6 0 0 13 1 1 0 0 0 4 5 1 0 0 0 3 58 2 0 0 0 M END