HMDB0015621 RDKit 3D Sulfadimethoxine 35 36 0 0 0 0 0 0 0 0999 V2000 -3.4472 -2.7844 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5554 -1.7241 1.0771 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3184 -0.7937 0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4038 0.2272 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 1.1833 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2107 2.2468 -0.4815 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7688 2.5675 0.8867 S 0 0 0 0 0 6 0 0 0 0 0 0 1.5360 3.8695 0.6855 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1018 2.7946 2.0938 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8886 1.2551 1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0451 1.1448 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9822 0.1636 0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8086 -0.7869 1.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8053 -1.7878 1.6476 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6839 -0.7238 2.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 0.2917 2.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 1.0867 -1.8235 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 0.1230 -2.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3452 0.0475 -3.2736 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0693 1.0165 -4.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9432 -0.8259 -1.1041 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4871 -2.5408 1.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1386 -3.6885 1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4922 -3.0847 -0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9256 0.2466 1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1204 2.9297 -1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1597 1.9053 -0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 0.1419 -0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3801 -1.7928 2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9846 -2.5125 0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5413 -1.4611 3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8818 0.3275 2.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2913 0.5995 -4.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0004 1.2329 -4.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6585 1.9522 -3.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 2 0 7 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 5 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 2 0 21 3 1 0 16 10 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 6 26 1 0 11 27 1 0 12 28 1 0 14 29 1 0 14 30 1 0 15 31 1 0 16 32 1 0 20 33 1 0 20 34 1 0 20 35 1 0 M END