HMDB0031162 RDKit 3D 3,3'-Thiobispropanoic acid 21 20 0 0 0 0 0 0 0 0999 V2000 -3.4411 -1.0785 1.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4293 -0.1411 0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2814 -0.1859 -0.9329 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5168 0.9938 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1516 0.6137 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 -0.7951 0.7312 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1744 -1.2043 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 -0.0839 0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 -0.4499 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6879 -1.5479 -0.7612 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5399 0.4474 -0.0328 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8871 -0.4934 -1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4866 1.3850 1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 1.8267 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 1.4842 -0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2508 0.2930 -1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.0916 0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1568 -1.3503 -1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2653 0.0787 1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8544 0.8436 -0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3749 1.4557 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 3 12 1 0 4 13 1 0 4 14 1 0 5 15 1 0 5 16 1 0 7 17 1 0 7 18 1 0 8 19 1 0 8 20 1 0 11 21 1 0 M END