HMDB0248366 RDKit 3D Amrubicinol 62 66 0 0 0 0 0 0 0 0999 V2000 -1.8267 4.1995 -1.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1401 4.3203 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2391 5.3859 -0.0803 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4236 3.0401 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1507 3.3486 1.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 2.7479 -0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2717 1.4018 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6332 1.2135 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5705 2.2060 -0.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1229 -0.0613 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2314 -1.0984 0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 -0.8889 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 -1.8600 0.4221 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 0.3825 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 0.6627 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9181 -0.3555 0.1614 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -0.7440 -0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2067 -0.4110 -0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9568 -1.5035 0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3106 -1.3527 -0.1986 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5478 -2.8836 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9856 -3.1536 -1.6235 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0332 -2.9266 -0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5928 -2.0413 -1.3011 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4165 1.9604 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7723 -2.4159 0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 -3.3664 0.7909 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -2.6223 0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6596 -3.9108 0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -4.1034 1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8981 -3.0548 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4572 -1.7874 0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 -1.5826 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5653 -0.2597 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3741 0.7167 -0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8745 4.5399 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3758 4.8839 -2.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8914 3.1577 -1.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8863 4.6233 0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2778 5.2663 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5206 4.3236 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 3.3967 2.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5118 3.4908 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4772 2.8826 -1.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4407 3.1624 -0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 -2.7925 0.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2631 0.8988 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 -0.0891 -1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2529 0.4913 0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7324 -0.1206 -1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8685 -1.4703 1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8620 -1.8986 0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9599 -3.6098 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 -3.9190 -1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6632 -3.9330 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6869 -2.6224 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 1.7284 1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 2.3245 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 -4.6897 1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4273 -5.0872 1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9759 -3.2045 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 -0.9357 0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 15 25 1 0 11 26 1 0 26 27 2 0 26 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 25 4 1 0 33 28 1 0 14 7 1 0 24 17 1 0 34 10 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 3 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 9 45 1 0 13 46 1 0 15 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 22 54 1 0 23 55 1 0 23 56 1 0 25 57 1 0 25 58 1 0 29 59 1 0 30 60 1 0 31 61 1 0 32 62 1 0 M END