HMDB0255611 RDKit 3D Nimesulide 33 34 0 0 0 0 0 0 0 0999 V2000 -4.3501 -1.5660 1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -1.9869 -0.3025 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.7466 -3.4562 -0.5495 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3074 -1.2612 -1.3989 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8948 -1.6043 -0.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -0.2714 -0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2877 0.8011 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 2.0817 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4404 2.3650 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 3.6801 0.3046 N 0 0 0 0 0 4 0 0 0 0 0 0 1.2773 3.8692 0.2912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8085 4.7230 0.4631 O 0 0 0 0 0 1 0 0 0 0 0 0 0.4095 1.2952 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0778 0.0149 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -1.0330 -0.3146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1681 -0.7995 -0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7985 -0.5363 -1.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1564 -0.3045 -1.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9329 -0.3243 -0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2752 -0.5905 0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 -0.8238 0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6025 -1.2164 1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8230 -2.4753 1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1758 -0.8370 1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1809 -2.3543 -0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3471 0.6166 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4664 2.9396 0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 1.4750 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2041 -0.5142 -2.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6173 -0.1025 -2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9923 -0.1473 -0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 -0.6194 1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3818 -1.0371 1.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 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 9 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 14 6 1 0 21 16 1 0 1 22 1 0 1 23 1 0 1 24 1 0 5 25 1 0 7 26 1 0 8 27 1 0 13 28 1 0 17 29 1 0 18 30 1 0 19 31 1 0 20 32 1 0 21 33 1 0 M CHG 2 10 1 12 -1 M END