HMDB0248750 RDKit 3D N-(3,5-Dichloropyrid-4-yl)-(1-(4-fluorobenzyl)-5-hydroxy-indole-3-yl)glyoxyli... 45 48 0 0 0 0 0 0 0 0999 V2000 2.4395 0.7902 -0.5496 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5545 -0.4386 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8157 -0.9935 -0.7519 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9009 -0.2189 -1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0413 -0.0136 -2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8506 -0.7350 -3.6609 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 0.7365 -3.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0079 1.2906 -2.2753 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8798 1.0962 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8454 0.3535 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7051 0.1188 1.3141 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 -1.2502 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7618 -2.5326 0.0794 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2012 -0.9117 0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 -1.6797 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0149 -1.0783 0.8458 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3786 -1.5537 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -1.0295 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7756 0.1470 -0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3989 0.6111 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3176 -0.1108 -2.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9310 0.3425 -3.9290 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6069 -1.2918 -2.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9894 -1.7487 -1.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6168 0.0662 1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 1.0368 2.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6084 2.1131 2.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2499 2.2032 2.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5014 3.2512 3.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4446 1.2377 1.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2302 0.1673 1.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0153 -2.0271 -0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1882 0.8868 -4.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 1.5568 -0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9374 -2.6041 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8884 -1.2044 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 -2.6572 0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8485 0.7236 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9591 1.5355 -1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5351 -1.8687 -3.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4262 -2.6819 -1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3393 0.9355 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1255 2.8928 3.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 3.2233 4.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5358 1.3135 1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 2 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 16 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 10 4 1 0 31 14 1 0 24 18 1 0 31 25 1 0 3 32 1 0 7 33 1 0 9 34 1 0 15 35 1 0 17 36 1 0 17 37 1 0 19 38 1 0 20 39 1 0 23 40 1 0 24 41 1 0 26 42 1 0 27 43 1 0 29 44 1 0 30 45 1 0 M END