HMDB0257282 RDKit 3D 3,4-Difluoro-2-[(2-Fluoro-4-Iodophenyl)amino]-N-(2-Hydroxyethoxy)-5-[(3-Oxo-1... 51 53 0 0 0 0 0 0 0 0999 V2000 3.0214 2.2106 -1.9621 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9472 1.4775 -1.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0331 0.9889 -2.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3484 1.0618 -1.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2098 1.1495 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1387 0.3418 0.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0129 1.0836 -0.1659 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0448 1.4355 0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9021 0.5001 0.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 0.9410 0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 0.0806 1.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8993 0.5984 0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9576 -0.2419 0.9767 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9774 1.8600 0.7867 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0589 2.6249 0.6726 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3595 2.1391 0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2956 3.3397 0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1361 3.8024 -0.5948 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2374 -1.2387 1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -2.1518 1.4598 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0023 -2.7966 0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8353 -2.4724 -0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5505 -3.0763 -1.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4928 -4.0634 -1.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6033 -5.0340 -3.1828 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -4.3887 -0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9497 -3.7901 0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1256 -4.1177 1.9774 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -1.6869 1.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3342 -3.0027 1.5962 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1403 -0.8272 1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4258 -1.3141 1.2730 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 -0.0655 -2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9775 1.6041 -3.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9664 1.8818 -2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9261 0.1106 -1.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1053 0.7706 0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9518 2.1858 0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4621 1.5598 1.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 2.4424 0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3686 1.9553 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5222 -0.3761 1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5775 1.4053 0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5127 1.7080 1.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 4.0915 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3252 3.0130 0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9611 4.3184 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5907 -2.3707 2.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0943 -1.6859 -1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4151 -2.8182 -2.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4082 -5.1632 -0.1315 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 3 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 11 19 2 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 24 26 1 0 26 27 2 0 27 28 1 0 19 29 1 0 29 30 1 0 29 31 2 0 31 32 1 0 7 2 1 0 31 9 1 0 27 21 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 8 39 1 0 8 40 1 0 10 41 1 0 13 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 20 48 1 0 22 49 1 0 23 50 1 0 26 51 1 0 M END