HMDB0015008 RDKit 3D Suprofen 30 31 0 0 0 0 0 0 0 0999 V2000 3.7170 -1.3003 0.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3505 -0.2259 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7455 1.0697 0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6253 1.7468 -0.0947 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 1.5940 1.6393 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8892 -0.2752 -0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9159 -0.2391 0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4322 -0.2840 0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8635 -0.3664 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 -0.4025 -1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 -0.8652 -2.4714 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2419 0.1261 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 -0.1744 -0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3043 0.4357 0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6448 1.3055 1.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0462 1.2483 0.8413 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1164 -0.4047 -2.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4402 -0.3587 -1.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 -2.0525 0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6464 -1.7869 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8545 -0.9029 1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9245 -0.3936 -1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 2.5847 1.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 -0.1727 1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1037 -0.2594 1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0127 -0.9053 -1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4014 0.2468 0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1128 1.8722 2.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -0.4700 -3.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1644 -0.3899 -2.5361 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 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 9 17 1 0 17 18 2 0 18 6 1 0 16 12 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 5 23 1 0 7 24 1 0 8 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 17 29 1 0 18 30 1 0 M END