HMDB0004822 RDKit 3D Methyl bisnorbiotinyl ketone 28 29 0 0 0 0 0 0 0 0999 V2000 3.6618 1.4076 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 0.3094 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7339 -0.4960 -1.4125 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5721 0.1735 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6998 -1.0128 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3999 -1.1980 1.1982 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3042 -2.7182 0.6198 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -1.8029 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3795 -0.4659 -0.0542 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0480 0.6430 -0.9048 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 1.7242 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7289 2.9760 -0.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2307 1.1429 1.1536 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5337 -0.2605 1.1322 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3895 2.1921 -1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 1.0832 -0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6742 1.8840 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0544 1.1404 0.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1193 0.0012 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3135 -0.9593 -0.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -1.8999 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0565 -1.3701 2.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6236 -1.7478 -1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 -2.3186 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4665 -0.3049 0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0743 0.6485 -1.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7719 1.6909 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1818 -0.4622 2.0414 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 2 0 11 13 1 0 13 14 1 0 14 6 1 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 1 8 23 1 0 8 24 1 0 9 25 1 1 10 26 1 0 13 27 1 0 14 28 1 1 M END