HMDB0060927 RDKit 3D Hydroxylumiracoxib 34 35 0 0 0 0 0 0 0 0999 V2000 -3.7633 1.7549 1.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 1.1269 1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2801 1.5457 1.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1855 0.9400 0.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3117 -0.1101 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 -0.7263 -0.7183 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 -0.2881 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 0.6970 -1.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9115 1.1881 -2.2931 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9276 1.1540 -1.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6403 0.6246 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9317 1.0779 0.3195 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1379 -0.3497 0.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8563 -0.8177 0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1277 -2.0742 1.6559 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6052 -0.5499 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7464 -1.6707 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1406 -2.0326 -1.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9555 -1.2030 -2.1008 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6149 -3.3439 -1.4322 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6834 0.0587 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4159 1.0202 2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3407 2.3162 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4502 2.5005 2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1515 2.3794 2.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7945 1.3242 1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6505 -1.5249 -1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 1.9261 -1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1214 1.8564 0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7226 -0.7410 1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 -2.5651 -0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2483 -1.4638 -2.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3779 -3.7725 -0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7168 -0.2573 -0.0422 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 11 13 1 0 13 14 2 0 14 15 1 0 5 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 16 21 2 0 21 2 1 0 14 7 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 4 26 1 0 6 27 1 0 10 28 1 0 12 29 1 0 13 30 1 0 17 31 1 0 17 32 1 0 20 33 1 0 21 34 1 0 M END