HMDB0013842 RDKit 3D O-Deethylated candesartan 47 51 0 0 0 0 0 0 0 0999 V2000 -2.8824 -0.3470 2.8534 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3258 0.5298 2.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 1.8554 2.6073 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0287 0.3789 0.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1309 1.2666 0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9675 1.1582 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7305 0.1858 -1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6436 -0.6845 -1.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -1.6759 -1.8424 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -2.1757 -1.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -3.2540 -1.8292 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8105 -1.5112 -0.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6663 -1.8184 0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4296 -1.0428 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3749 -1.4463 -0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5179 -0.7765 -1.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9195 0.3282 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 1.0767 -0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1109 2.0727 -1.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2553 2.7719 -2.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4150 2.4215 -1.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 1.4303 -0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3013 0.7400 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2894 -0.3168 0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2759 -1.0713 1.2315 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6753 -1.9297 2.1511 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9715 -1.7209 2.3052 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3519 -0.7515 1.4926 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1638 0.7627 0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 0.0780 0.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7909 -0.5803 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1795 2.6512 1.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2914 2.0320 1.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8287 1.8280 -0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3410 0.0262 -2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1778 -4.0198 -1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7395 -1.9951 1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -2.8879 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0653 -2.3407 -1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 -1.1187 -2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 2.3057 -2.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 3.5493 -2.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3370 2.9564 -1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3738 1.1658 -0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6453 -2.2052 2.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4559 1.6492 1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5601 0.4498 1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 17 29 1 0 29 30 2 0 12 31 1 0 31 4 1 0 31 8 2 0 30 14 1 0 23 18 1 0 28 24 2 0 3 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 11 36 1 0 13 37 1 0 13 38 1 0 15 39 1 0 16 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 27 45 1 0 29 46 1 0 30 47 1 0 M END