HMDB0001892 RDKit 3D Menadione 21 22 0 0 0 0 0 0 0 0999 V2000 -3.3530 0.4183 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9285 -0.0276 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6213 -1.2921 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2493 -1.7281 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 -2.9573 -0.1427 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8501 -0.7514 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1695 -1.1501 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1561 -0.1909 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8789 1.1562 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5449 1.5112 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 0.5870 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8865 0.9713 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 2.2026 0.1505 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0277 -0.3854 -0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4388 1.2832 -0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6924 0.6674 1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4265 -2.0406 -0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 -2.2090 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2115 -0.4895 -0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6882 1.8776 0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2911 2.5473 0.1465 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 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 2 1 0 11 6 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 7 18 1 0 8 19 1 0 9 20 1 0 10 21 1 0 M END