HMDB0001458 RDKit 3D Biotin amide 33 34 0 0 0 0 0 0 0 0999 V2000 5.7286 0.9495 -0.2066 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6281 0.2614 0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 -0.3130 1.4589 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3307 0.2415 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2878 -0.5257 0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0061 -0.4987 -0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0922 -1.2616 0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 -1.2008 -0.4867 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7053 -2.1184 0.3457 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0277 -0.8596 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3999 0.0519 -0.8741 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8618 1.4082 -0.5534 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0623 1.7684 0.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3559 2.6850 1.4057 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 0.9253 0.6369 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 0.1622 -0.5700 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3285 0.4481 -0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8759 1.9437 0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9496 1.2833 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4776 -0.2616 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6104 -1.5694 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0805 -0.0131 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6663 0.5678 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -0.8949 -1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2015 -0.8581 1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2121 -2.3311 0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1742 -1.5797 -1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8872 -1.3771 -0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2818 -0.3801 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6422 -0.1889 -1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5851 1.9467 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2201 0.9038 1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4669 0.6850 -1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 8 1 0 16 11 1 0 1 17 1 0 1 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 27 1 6 10 28 1 0 10 29 1 0 11 30 1 6 12 31 1 0 15 32 1 0 16 33 1 6 M END