HMDB0034850 RDKit 3D Metosulam 39 41 0 0 0 0 0 0 0 0999 V2000 4.9807 2.8048 1.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6258 1.4646 2.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6402 0.8536 1.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2558 -0.4429 1.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2858 -1.0188 0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8816 -2.3198 1.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -3.0554 2.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7109 -0.3674 -0.2615 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.6997 -1.1429 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5433 0.3181 -1.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 0.3390 -3.3321 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.0904 1.2173 -4.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7088 -1.0597 -3.9265 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 0.8970 -2.8365 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9598 0.2916 -1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8816 -0.6602 -2.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0702 -1.1555 -3.8912 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6983 -1.2657 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 -0.9181 0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6738 0.0366 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 0.4210 1.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8599 0.6367 -0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6727 1.8647 -0.0868 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3686 1.3029 -1.6013 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0992 0.9037 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0478 1.4650 0.2364 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4511 2.8293 0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6531 3.2573 2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0698 3.4353 1.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7284 -0.9568 2.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 -3.9873 2.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -2.4900 3.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5045 -3.3452 1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5376 1.7816 -3.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4184 -2.0106 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2447 -1.3970 0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4947 0.2654 2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3463 1.5274 1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7668 -0.1676 2.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 2 0 11 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 10 24 1 0 24 25 2 0 25 26 1 0 26 3 2 0 25 8 1 0 22 15 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 7 31 1 0 7 32 1 0 7 33 1 0 14 34 1 0 18 35 1 0 19 36 1 0 21 37 1 0 21 38 1 0 21 39 1 0 M END