HMDB0255295 RDKit 3D N4-Acetyl Sulfadoxine 40 41 0 0 0 0 0 0 0 0999 V2000 -3.9921 2.2683 4.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0497 2.7989 3.2596 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9141 2.0483 2.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7012 0.8244 3.4136 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6247 0.0626 3.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2635 0.5832 2.2479 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1203 1.7976 1.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0891 2.3342 0.8316 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 1.4352 0.4299 S 0 0 0 0 0 6 0 0 0 0 0 0 3.3009 1.0176 1.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4006 2.2779 -0.4232 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0414 -0.0432 -0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8447 -0.0395 -1.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -1.2156 -2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3487 -2.4135 -1.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0166 -3.6280 -2.4616 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 -3.8648 -3.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -5.2318 -4.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -2.9635 -4.6953 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5519 -2.3965 -0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -1.2451 0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9869 2.5613 2.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0968 3.8094 1.4486 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 4.1101 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1828 2.9694 5.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9601 2.0070 3.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5648 1.3289 4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5155 -0.9362 3.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9392 3.2914 0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9623 0.8923 -2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3594 -1.1434 -3.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8283 -4.4680 -1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9528 -6.0351 -3.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5689 -5.2737 -4.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9555 -5.3522 -5.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -3.3303 0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0427 -1.2975 1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1992 3.1479 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6318 4.7851 0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 4.5269 -0.5237 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 15 20 1 0 20 21 2 0 7 22 2 0 22 23 1 0 23 24 1 0 22 3 1 0 21 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 5 28 1 0 8 29 1 0 13 30 1 0 14 31 1 0 16 32 1 0 18 33 1 0 18 34 1 0 18 35 1 0 20 36 1 0 21 37 1 0 24 38 1 0 24 39 1 0 24 40 1 0 M END