HMDB0259094 RDKit 3D Tilmacoxib 42 44 0 0 0 0 0 0 0 0999 V2000 -1.7124 4.8132 -1.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2734 3.4355 -1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 2.3434 -1.1217 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3647 1.2561 -0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8284 -0.0230 -0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -1.0180 -1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2318 -2.0585 -0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1932 -2.1696 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3922 -1.1550 1.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 -0.6636 0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0497 1.7635 -0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.9162 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0261 1.2282 0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1519 0.4198 0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 -0.7602 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6765 -1.7750 0.3155 S 0 0 0 0 0 6 0 0 0 0 0 0 5.7737 -1.0686 1.4322 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3952 -1.9478 -0.9883 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3387 -3.1549 0.8281 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2653 -1.0891 -0.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3565 -2.2347 -1.4904 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1546 -0.2830 -0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 3.0161 -0.8037 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4898 5.0365 -2.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 4.8723 -1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2837 5.5610 -0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9046 0.3883 0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5664 -1.5532 -1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9918 -0.5523 -1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2907 -2.0592 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8668 -3.0598 -0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8471 -3.1713 1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2454 -2.1099 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0752 -1.4712 2.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0103 -0.2222 1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 0.0439 1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 -1.5579 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9997 2.1377 1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9386 0.6471 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2536 -1.7881 2.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3807 -0.3461 1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4433 -0.5866 -1.6205 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 4 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 16 19 2 0 15 20 1 0 20 21 1 0 20 22 2 0 11 23 1 0 23 2 1 0 10 5 1 0 22 12 1 0 1 24 1 0 1 25 1 0 1 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 13 38 1 0 14 39 1 0 17 40 1 0 17 41 1 0 22 42 1 0 M END