HMDB0060529 RDKit 3D 5-Hydroxysulfamethoxazole 29 30 0 0 0 0 0 0 0 0999 V2000 -4.2364 -1.5991 -0.2844 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1686 -0.6503 -0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1995 0.5357 0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2023 1.4542 0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 1.2233 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1867 2.4195 -0.5217 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.3918 3.7948 -0.7811 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.1075 -1.7197 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1782 2.4147 0.8599 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9589 1.2954 1.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1408 0.0763 0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -0.6698 1.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -2.0449 0.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5837 -2.9880 1.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3618 0.0772 2.3764 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7676 1.2243 2.3342 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0256 0.0580 -1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0495 -0.8833 -1.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1278 -2.5236 0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1365 -1.3250 -0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0764 0.7509 0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 2.3815 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1945 3.2947 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6668 -0.2376 -0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4386 -2.1654 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4616 -2.3002 1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5937 -3.7697 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -0.1597 -1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9874 -1.7914 -1.6741 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 2 0 5 6 1 0 6 7 2 0 6 8 2 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 5 17 1 0 17 18 2 0 18 2 1 0 16 10 2 0 1 19 1 0 1 20 1 0 3 21 1 0 4 22 1 0 9 23 1 0 11 24 1 0 13 25 1 0 13 26 1 0 14 27 1 0 17 28 1 0 18 29 1 0 M END