HMDB0060798 RDKit 3D 6beta-Hydroxy-hydromorphone 42 46 0 0 0 0 0 0 0 0999 V2000 3.2635 -1.9681 -0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8716 -1.6590 -0.4847 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6741 -0.8705 -1.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -0.1919 -1.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4627 -0.0397 -0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1965 1.2665 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9487 1.4775 0.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 2.7171 1.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1432 3.6983 1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0149 3.3929 0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0167 4.3424 0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 2.1281 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2059 1.4634 -0.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9235 0.0400 -0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7651 -0.6382 0.1253 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8320 0.1144 1.2996 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3273 -2.0664 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8304 -2.2780 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -1.0070 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -1.0115 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9271 0.3471 0.9158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4621 -2.9735 -0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 -2.0311 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9321 -1.2603 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7841 -1.5869 -2.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5556 -0.1764 -1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5956 0.8588 -2.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2377 -0.6069 -2.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0276 2.9676 1.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2618 4.6989 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8572 4.1619 -0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1969 -0.3142 -1.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8061 -0.7028 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3334 -0.3430 1.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8611 -2.7915 -0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5485 -2.3060 1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6495 -2.5024 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -3.1389 0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 -0.5566 1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5794 -1.6492 1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7811 0.5515 0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3165 0.4439 1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 2 1 0 14 5 1 0 19 5 1 0 12 6 1 0 21 7 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 8 29 1 0 9 30 1 0 11 31 1 0 14 32 1 0 15 33 1 6 16 34 1 0 17 35 1 0 17 36 1 0 18 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 21 42 1 0 M END