HMDB0015229 RDKit 3D Leflunomide 28 29 0 0 0 0 0 0 0 0999 V2000 4.1787 1.1123 -0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8929 -0.1044 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9262 -0.8603 0.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5065 -1.8519 1.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 -1.8064 1.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7684 -0.6523 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3732 -0.3884 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5822 -0.4066 1.5119 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6395 -0.0828 -0.7312 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7884 0.0499 -0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 1.2268 -0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6918 1.3440 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5058 0.2606 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9762 0.3756 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 0.8790 1.2072 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5703 -0.8857 -0.2436 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.4279 1.2756 -0.9926 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9449 -0.9461 -0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6051 -1.0672 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3075 1.7362 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6301 0.8828 -1.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 1.6871 -0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4626 -2.4538 1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0969 0.0430 -1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6315 2.0841 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0489 2.3155 0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6449 -1.7671 -0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -1.9993 -1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 13 18 1 0 18 19 2 0 6 2 2 0 19 10 1 0 1 20 1 0 1 21 1 0 1 22 1 0 5 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 18 27 1 0 19 28 1 0 M END