HMDB0260308 RDKit 3D N-(4-((5-(3-(2-Aminoethyl)-1H-indol-5-yl)-1,2,4-oxadiazol-3-yl)methyl)phenyl)... 50 53 0 0 0 0 0 0 0 0999 V2000 8.1958 0.6486 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 1.9173 -0.2276 S 0 0 0 0 0 6 0 0 0 0 0 0 7.8977 3.2060 -0.3174 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8784 1.4373 -1.6339 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7285 2.0428 0.7088 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8348 0.9540 0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3074 0.6172 2.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4385 -0.4411 2.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0635 -1.2015 1.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1283 -2.3500 1.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7022 -1.8796 1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 -1.4387 2.0815 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2419 -1.1369 1.5224 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2232 -1.3492 0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2549 -1.1536 -0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0643 -1.4420 -2.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0688 -1.2440 -3.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3052 -0.7484 -2.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4397 -0.4701 -3.3556 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3774 -0.0050 -2.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8075 0.0144 -1.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4564 0.4849 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1066 1.9067 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6998 2.0479 0.5608 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5184 -0.4501 -1.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5154 -0.6514 -0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0036 -1.8211 -0.0269 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5673 -0.8958 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4456 0.1804 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5632 -0.2591 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0970 0.4558 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4068 1.0128 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5081 2.9447 1.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6099 1.2222 2.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0433 -0.6833 3.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2564 -2.9138 2.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3281 -3.0586 0.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1245 -1.8296 -2.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9021 -1.4786 -4.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5483 -0.6032 -4.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3856 0.3034 -2.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5682 0.3553 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1341 -0.2010 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6595 2.1873 1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4241 2.6244 -0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3533 1.6932 1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3351 3.0005 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6346 -0.4462 0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2884 -1.4767 -0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8063 0.3715 -1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 21 25 1 0 25 26 2 0 14 27 2 0 9 28 1 0 28 29 2 0 29 6 1 0 27 11 1 0 26 15 1 0 25 18 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 0 7 34 1 0 8 35 1 0 10 36 1 0 10 37 1 0 16 38 1 0 17 39 1 0 19 40 1 0 20 41 1 0 22 42 1 0 22 43 1 0 23 44 1 0 23 45 1 0 24 46 1 0 24 47 1 0 26 48 1 0 28 49 1 0 29 50 1 0 M END