HMDB0013852 RDKit 3D Sulfamethoxazole N4-hydroxylamine 29 30 0 0 0 0 0 0 0 0999 V2000 -4.9152 0.9241 -1.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 0.3051 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3538 0.3828 0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1768 -0.3260 0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 -0.5073 1.7574 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 -1.4120 1.8020 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.3222 -2.8140 1.2948 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 -1.4866 3.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2342 -0.7376 0.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1257 0.2208 1.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0923 0.7106 0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2057 0.2798 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 0.8126 -1.7377 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0843 1.7426 -1.2584 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3311 -0.6630 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3638 -1.1493 -0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8827 -0.7922 -0.6831 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7863 -0.4145 -1.5383 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7249 0.1731 -1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2499 1.7855 -0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6593 1.2582 -2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 0.9019 1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8091 -0.0760 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0097 0.5302 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7978 1.4623 0.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 0.4719 -2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5948 1.3218 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4104 -1.0059 -2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6726 -1.8989 -0.8726 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 5 6 1 0 6 7 2 0 6 8 2 0 6 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 2 0 4 17 2 0 17 18 1 0 18 2 1 0 16 9 1 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 5 23 1 0 10 24 1 0 11 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 16 29 1 0 M END