HMDB0000784 RDKit 3D Azelaic acid 29 28 0 0 0 0 0 0 0 0999 V2000 -4.9974 0.0468 -2.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4621 0.1986 -1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1988 0.8011 -0.1631 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -0.2451 -0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 0.0311 0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3358 -0.3951 0.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2821 0.3024 0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0607 -0.2322 0.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2163 0.4026 -0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 -0.1914 0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6954 0.3346 -0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6632 1.1937 -1.1957 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 -0.1326 0.1317 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9588 0.6277 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3524 0.1777 -1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0602 -1.3448 -1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4069 -0.6156 1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9002 1.0654 0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1763 -0.0857 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1735 -1.4713 0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3834 0.1293 -1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 1.3887 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.3169 0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1129 -0.0085 1.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 0.1714 -1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 1.5065 -0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5364 0.0262 1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 -1.2851 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2578 -1.0794 -0.0425 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 1 0 10 11 1 0 11 12 2 0 11 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 13 29 1 0 M END