HMDB0256363 RDKit 3D N-Pyridazin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene... 53 56 0 0 0 0 0 0 0 0999 V2000 -4.8086 0.7053 -1.5772 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7395 0.6413 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8827 0.4017 0.4836 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1643 0.2115 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2787 0.0002 0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5336 -0.1881 0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7194 -0.1717 -1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6336 0.0328 -1.8978 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4050 0.2173 -1.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4754 0.8123 0.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3137 1.0418 -0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 1.0385 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0519 -0.2071 1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1332 -1.0830 1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0942 -1.0960 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3948 -2.0144 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -2.0642 -1.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6516 -1.1886 -0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3965 -0.2599 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3486 0.6491 0.6169 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6524 0.5256 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0818 1.1041 -0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4025 0.9711 -1.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2505 0.2540 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6833 0.0976 -0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2383 1.3539 -0.9033 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3585 -0.6750 0.0110 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8265 -0.5294 -2.1272 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 -0.3366 0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5455 -0.1735 0.9770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1228 -0.2368 0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2495 -0.3396 2.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 0.7571 1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7762 0.3671 1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0732 -0.0036 1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3853 -0.3488 0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7020 -0.3151 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2057 0.1833 -1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4011 1.9857 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1487 1.1225 -0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 1.8960 0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2771 -1.9826 1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -2.6954 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 -2.7991 -1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6461 -1.2006 -1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3867 1.6683 -1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7173 1.4350 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5535 -0.8882 1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9192 0.4996 1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 -1.3165 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8308 -0.1926 3.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8027 1.7321 2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 0.6013 2.3209 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 6 7 2 0 7 8 1 0 8 9 2 0 2 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 3 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 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 24 29 1 0 29 30 2 0 19 31 2 0 13 32 1 0 32 33 1 0 9 4 1 0 33 10 1 0 31 15 1 0 30 21 1 0 3 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 22 46 1 0 23 47 1 0 29 48 1 0 31 49 1 0 32 50 1 0 32 51 1 0 33 52 1 0 33 53 1 0 M END