HMDB0015144 RDKit 3D Ketoprofen 33 34 0 0 0 0 0 0 0 0999 V2000 -4.3458 -0.1554 -1.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5647 -0.2314 0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7704 0.9757 1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3927 0.8929 2.0943 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 2.2457 0.6711 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1614 -0.6144 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8577 -1.9607 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5594 -2.3943 -0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4584 -1.4578 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 -0.1083 -0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2168 0.8794 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8673 1.9994 -1.0142 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5899 0.6583 -0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6285 1.3290 -0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 1.1589 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 0.2934 0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2419 -0.3955 1.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9285 -0.1859 0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 0.3113 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 0.5580 -0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6684 0.1880 -1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7723 -1.1410 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 -1.0814 0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7018 2.7931 1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5962 -2.7450 0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2825 -3.4373 -0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 -1.8158 -0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 1.9963 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7244 1.6947 -0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2656 0.1589 0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4353 -1.0650 2.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1476 -0.7120 1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3587 1.3680 -0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 2 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 10 19 2 0 19 6 1 0 18 13 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 5 24 1 0 7 25 1 0 8 26 1 0 9 27 1 0 14 28 1 0 15 29 1 0 16 30 1 0 17 31 1 0 18 32 1 0 19 33 1 0 M END