HMDB0245284 RDKit 3D 2-Oxo-3-hydroxy-lysergide 51 54 0 0 0 0 0 0 0 0999 V2000 -4.5807 1.0784 2.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6863 0.0033 1.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5468 -0.0671 0.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5324 0.6815 -0.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1409 -0.1032 -1.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -0.8879 0.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5147 -1.5859 1.8542 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2068 -1.0436 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4075 0.1767 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8732 0.1315 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6476 1.3469 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 2.6154 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 3.6638 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4136 3.4337 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9559 2.1400 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 1.1754 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6418 -0.1405 0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5315 -0.5378 1.5195 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9601 -1.1607 -0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -1.1404 -0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9701 -2.1562 0.3178 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 -3.4523 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4626 -2.2985 0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0489 0.1430 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9871 -0.6878 -0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2476 1.5616 0.1317 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5204 1.2065 2.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1689 0.7945 3.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0025 2.0275 1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8837 -0.9616 1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5904 0.1875 0.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1184 1.6403 -0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5332 0.9819 -1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7527 0.2417 -2.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -1.1750 -1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2365 0.0764 -1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -1.1244 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8951 1.0707 0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0717 2.7342 0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6609 4.6887 0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1321 4.2510 0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8515 0.1742 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -1.0131 -1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 -2.1673 -0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0274 -1.3896 -1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8367 -4.2772 0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4101 -3.6052 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9454 -3.5433 -0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -3.1543 -0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7566 -2.6215 1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1400 2.0683 0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 17 24 1 0 24 25 2 0 24 26 1 0 23 8 1 0 20 10 1 0 16 11 1 0 26 15 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 5 36 1 0 8 37 1 0 9 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 22 46 1 0 22 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 26 51 1 0 M END