HMDB0014408 RDKit 3D Sulfisoxazole 31 32 0 0 0 0 0 0 0 0999 V2000 4.0069 2.1941 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7991 1.4707 0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7258 1.9524 1.2988 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9179 0.9779 1.5673 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4119 -0.1567 1.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 -1.4743 1.2411 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1419 -2.1105 -0.0025 S 0 0 0 0 0 6 0 0 0 0 0 0 0.6007 -2.1329 -1.3132 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5124 -3.5172 0.3586 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 -1.0894 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 0.0009 -0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 0.8137 -1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8543 0.5251 -0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0008 1.3567 -0.4539 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8353 -0.5614 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7187 -1.3646 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6268 0.1242 0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5503 -0.8872 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7596 3.2291 -0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4489 1.6394 -0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7295 2.2562 1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -2.0705 2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7532 0.2193 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7837 1.6730 -1.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9281 2.3793 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9782 0.9724 -0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7332 -0.7570 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6997 -2.2171 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5137 -1.8386 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2564 -1.0690 -1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 -0.5382 0.0350 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 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 17 2 1 0 16 10 1 0 1 19 1 0 1 20 1 0 1 21 1 0 6 22 1 0 11 23 1 0 12 24 1 0 14 25 1 0 14 26 1 0 15 27 1 0 16 28 1 0 18 29 1 0 18 30 1 0 18 31 1 0 M END