HMDB0254502 RDKit 3D Metamizol 38 39 0 0 0 0 0 0 0 0999 V2000 -1.1837 -2.6546 0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3775 -1.4174 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9482 -0.1734 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3115 0.2133 -0.1215 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9967 0.2266 -1.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9701 0.5820 1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6523 1.0360 0.8783 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.5007 -0.1398 0.4748 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1793 1.4737 2.2389 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8450 2.3423 -0.1447 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1157 0.6936 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0533 1.9419 -0.3736 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2745 -0.0206 -0.0885 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5757 0.5330 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9839 1.3171 -1.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2748 1.8532 -1.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1252 1.5588 -0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7557 0.7754 0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4631 0.2732 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9782 -1.2965 0.0972 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9051 -2.4000 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8263 -2.7730 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5555 -3.5392 0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9143 -2.4929 1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4745 -0.3884 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9644 1.2735 -1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0291 -0.1690 -1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4323 1.4772 1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9368 -0.2351 1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5185 2.1017 -0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3168 1.5351 -2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5971 2.4717 -2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1499 1.9477 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4251 0.5482 1.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -0.3450 1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9428 -2.7098 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9099 -2.1315 -0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -3.2890 -0.3228 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 4 6 1 0 6 7 1 0 7 8 2 0 7 9 2 0 7 10 1 0 3 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 13 20 1 0 20 21 1 0 20 2 1 0 19 14 1 0 1 22 1 0 1 23 1 0 1 24 1 0 5 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 10 30 1 0 15 31 1 0 16 32 1 0 17 33 1 0 18 34 1 0 19 35 1 0 21 36 1 0 21 37 1 0 21 38 1 0 M END