HMDB0042015 RDKit 3D Sulforidazine 53 56 0 0 0 0 0 0 0 0999 V2000 -2.2756 -0.5068 -2.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9399 -0.8201 -1.3011 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2519 -0.2838 -1.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9767 -1.0116 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2044 -0.9422 1.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8649 -0.2502 1.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1254 -0.7651 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 0.0824 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0268 0.1423 0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1858 0.9375 0.6978 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 2.3597 0.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 2.9075 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4826 4.2705 0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5463 5.1675 0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 4.6237 0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0097 3.2722 0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6658 2.7380 0.3200 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 0.9520 0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8183 0.2687 0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8155 -1.0983 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6445 -1.8012 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5922 -3.5409 0.2642 S 0 0 0 0 0 6 0 0 0 0 0 0 3.3041 -4.0717 -1.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4532 -4.0736 1.0857 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8915 -4.1460 0.7052 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4806 -1.0936 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 0.3092 0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9567 -0.7388 -3.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9428 0.5273 -2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.2046 -2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7978 -0.4594 -2.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2898 0.8056 -0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0182 -0.6366 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0588 -2.0847 -0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7953 -0.3118 1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 -1.9306 1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2818 -0.4944 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 0.8500 1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7441 -1.8165 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1979 1.0256 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -0.3969 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 -0.8936 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6367 0.6467 1.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1301 2.3062 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4779 4.6569 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 6.2368 0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6148 5.3459 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7219 0.8447 -0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7361 -1.6638 -0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2616 -3.8656 -1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9808 -3.5297 -2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -5.1618 -1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5965 -1.6830 0.5971 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 22 25 2 0 21 26 1 0 26 27 2 0 7 2 1 0 27 10 1 0 16 11 1 0 27 18 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 19 48 1 0 20 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 26 53 1 0 M END