HMDB0014724 RDKit 3D Diclofenac 30 31 0 0 0 0 0 0 0 0999 V2000 -2.2079 -0.2139 2.0932 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -1.2390 1.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0003 -2.3349 2.1978 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5173 -1.2810 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -0.0068 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 0.8625 -1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4325 2.0307 -1.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0866 2.3280 -1.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2032 1.4339 -1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6787 0.2640 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.6252 0.0806 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6383 -0.3861 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -0.8052 -0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8028 -1.6407 -2.2183 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8564 -0.5511 -0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4023 0.1104 0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5414 0.5287 1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1693 0.2759 1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0888 0.7977 2.4949 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9885 -3.2776 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 -2.1430 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -1.4519 -0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9936 0.6687 -1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1229 2.7393 -2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 3.2406 -2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 1.6933 -1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1264 -1.5152 0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5203 -0.8779 -1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4575 0.3223 0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9524 1.0534 2.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 10 5 1 0 18 12 1 0 3 20 1 0 4 21 1 0 4 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 11 27 1 0 15 28 1 0 16 29 1 0 17 30 1 0 M END