15CGE_51F_A_301 2 RCSB PDB12061717053D 3Coordinates from PDB:5CGE:A:301 Model:1 without hydrogens 4 9 9 0 0 0 0 999 V2000 5 1.9380 -23.2670 23.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1.8220 -21.9470 23.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 7 0.5850 -21.3400 23.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 8 0.7310 -21.2390 21.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 9 1.5230 -20.3280 21.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 10 1.4120 -20.5380 19.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 11 0.4890 -21.5360 19.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 12 0.2280 -21.9270 20.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 13 -0.7930 -22.9870 21.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 14 6 5 2 0 0 0 0 15 6 7 1 0 0 0 0 16 5 4 1 0 0 0 0 17 7 8 2 0 0 0 0 18 4 3 1 0 0 0 0 19 4 8 1 0 0 0 0 20 3 2 1 0 0 0 0 21 8 9 1 0 0 0 0 22 1 2 1 0 0 0 0 23A 1 24OAB 25A 2 26CAE 27A 3 28CAF 29A 4 30NAI 31A 5 32CAD 33A 6 34CAC 35A 7 36NAG 37A 8 38CAH 39A 9 40CAA 41M END 42> <InstanceId> 435CGE_51F_A_301 44 45> <ChemCompId> 4651F 47 48> <PdbId> 495CGE 50 51> <ChainId> 52A 53 54> <ResidueNumber> 55301 56 57> <InsertionCode> 58 59 60> <Model> 611 62 63> <AltIds> 64 65 66> <MissingHeavyAtoms> 670 68 69> <ObservedFormula> 70C6 N2 O 71 72> <Name> 732-(2-methyl-1H-imidazol-1-yl)ethanol 74 75> <SystematicName> 762-(2-methylimidazol-1-yl)ethanol 77 78> <Synonyms> 79 80 81> <Type> 82NON-POLYMER 83 84> <Formula> 85C6 H10 N2 O 86 87> <MolecularWeight> 88126.156 89 90> <ModifiedDate> 912016-03-18 92 93> <Parent> 94 95 96> <OneLetterCode> 97 98 99> <SubcomponentList> 100 101 102> <AmbiguousFlag> 103N 104 105> <InChI> 106InChI=1S/C6H10N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,9H,4-5H2,1H3 107 108> <InChIKey> 109JJWKKSUCSNDHNJ-UHFFFAOYSA-N 110 111> <SMILES> 112Cc1nccn1CCO 113 114$$$$ 115