HMDB0015403 RDKit 3D Lumiracoxib 33 34 0 0 0 0 0 0 0 0999 V2000 -3.6717 -2.4744 -0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -1.6651 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2504 -1.9993 -0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -1.2372 -0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3608 -0.1465 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 0.6130 0.8291 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 0.3501 0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8738 -0.4863 1.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4295 -1.0824 2.3601 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1755 -0.7365 0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6767 -0.1552 -0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8965 0.6856 -1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 0.9331 -0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6401 1.9960 -1.7093 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6353 0.1789 0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 1.3558 1.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 2.6035 0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4877 2.5612 -0.2957 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8826 3.8466 1.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 -0.5873 0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 -2.6168 -1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5795 -3.4796 -0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6222 -2.0416 -0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -2.8432 -1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 -1.4556 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5945 1.4310 1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8278 -1.3875 1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6982 -0.3625 -0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2899 1.1366 -1.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8699 1.3289 2.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1192 1.3635 2.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4753 4.6845 1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7173 -0.3114 0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 5 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 15 20 2 0 20 2 1 0 13 7 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 4 25 1 0 6 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 16 30 1 0 16 31 1 0 19 32 1 0 20 33 1 0 M END