HMDB0304877 RDKit 3D Voxelotor 44 46 0 0 0 0 0 0 0 0999 V2000 4.3242 -0.2659 0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0017 0.8798 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0405 2.1392 0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 0.9280 -0.8274 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3295 2.0888 -1.4286 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1019 1.9673 -1.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6531 0.6985 -1.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 0.0887 -0.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5961 -1.2952 -0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5123 -2.1993 -0.7589 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3642 -3.4883 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1947 -3.9116 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1896 -3.0441 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3923 -1.6808 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5657 -0.7455 0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7152 -0.5695 0.0226 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8124 0.1290 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9702 0.6176 1.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1295 1.3172 2.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1212 1.5419 1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9653 1.0676 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9861 1.3075 -1.0777 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 0.3674 -0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6456 0.0355 -1.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5368 0.4719 -2.7352 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1287 0.0963 1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8931 -1.0150 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5578 -0.6804 1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 1.0636 -0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4924 2.9468 0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0967 2.3928 0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5455 1.8410 1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5014 2.6598 -2.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2978 0.2554 -1.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1463 -4.2263 -0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0701 -4.9918 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7308 -3.3760 0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 0.2488 0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8383 -1.1625 1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2234 0.4436 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2725 1.6664 3.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0223 2.0716 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 1.8405 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 -0.5202 -2.2608 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 5 6 2 0 6 7 1 0 7 8 2 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 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 24 25 2 0 8 4 1 0 14 9 1 0 23 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 6 33 1 0 7 34 1 0 11 35 1 0 12 36 1 0 13 37 1 0 15 38 1 0 15 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 22 43 1 0 24 44 1 0 M END