HMDB0015098 RDKit 3D Bromfenac 32 33 0 0 0 0 0 0 0 0999 V2000 1.3676 -0.1927 -1.7949 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3733 -0.4575 -0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4974 -0.8959 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7209 -1.0770 -0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3123 0.2668 -0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7576 0.8684 0.1887 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3494 0.7970 -2.1055 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 -1.1564 1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3329 -0.9500 2.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1753 -0.5021 1.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1647 -0.2473 0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 0.2377 -0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8029 0.5645 -1.6702 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 0.4284 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 1.5147 -0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3645 1.6771 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0063 0.8329 0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8262 1.1465 1.2457 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.2901 -0.2329 1.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9742 -0.4266 0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 0.7593 -2.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1313 -0.9051 -2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4056 -1.7732 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4713 -1.5444 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 1.7715 -2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4214 -1.5083 2.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 -1.1443 3.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6921 -0.3347 2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5597 2.1856 -1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 2.5195 -0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7648 -0.9339 1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4318 -1.2878 1.2952 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 1 0 5 6 2 0 5 7 1 0 3 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 11 2 1 0 20 14 1 0 1 21 1 0 1 22 1 0 4 23 1 0 4 24 1 0 7 25 1 0 8 26 1 0 9 27 1 0 10 28 1 0 15 29 1 0 16 30 1 0 19 31 1 0 20 32 1 0 M END