13IKF_717_A_202 2 RCSB PDB12061709053D 3Coordinates from PDB:3IKF:A:202 Model:1 without hydrogens 4 10 11 0 0 0 0 999 V2000 5 9.3220 -27.0930 -15.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 6 8.7340 -28.1170 -14.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 7 7.5760 -28.3310 -15.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 8 7.4530 -27.5240 -16.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 9 8.5570 -26.6940 -16.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 10 6.3010 -27.6650 -17.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 11 5.4940 -28.6950 -16.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 12 6.2620 -29.3600 -15.5190 S 0 0 0 0 0 0 0 0 0 0 0 0 13 10.6450 -26.4810 -15.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 14 11.4520 -26.5360 -16.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 15 2 1 1 0 0 0 0 16 1 5 2 0 0 0 0 17 1 9 1 0 0 0 0 18 3 2 2 0 0 0 0 19 8 3 1 0 0 0 0 20 3 4 1 0 0 0 0 21 6 4 1 0 0 0 0 22 4 5 1 0 0 0 0 23 7 6 2 0 0 0 0 24 8 7 1 0 0 0 0 25 9 10 1 0 0 0 0 26A 1 27C1 28A 2 29N2 30A 3 31C3 32A 4 33N4 34A 5 35C5 36A 6 37C6 38A 7 39C7 40A 8 41S8 42A 9 43C9 44A 10 45O10 46M END 47> <InstanceId> 483IKF_717_A_202 49 50> <ChemCompId> 51717 52 53> <PdbId> 543IKF 55 56> <ChainId> 57A 58 59> <ResidueNumber> 60202 61 62> <InsertionCode> 63 64 65> <Model> 661 67 68> <AltIds> 69 70 71> <MissingHeavyAtoms> 720 73 74> <ObservedFormula> 75C6 N2 O S 76 77> <Name> 78imidazo[2,1-b][1,3]thiazol-6-ylmethanol 79 80> <SystematicName> 81imidazo[2,1-b][1,3]thiazol-6-ylmethanol 82 83> <Synonyms> 84 85 86> <Type> 87NON-POLYMER 88 89> <Formula> 90C6 H6 N2 O S 91 92> <MolecularWeight> 93154.19 94 95> <ModifiedDate> 962011-06-04 97 98> <Parent> 99 100 101> <OneLetterCode> 102 103 104> <SubcomponentList> 105 106 107> <AmbiguousFlag> 108N 109 110> <InChI> 111InChI=1S/C6H6N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h1-3,9H,4H2 112 113> <InChIKey> 114GBUTVPCKMACQMG-UHFFFAOYSA-N 115 116> <SMILES> 117c1csc2n1cc(n2)CO 118 119$$$$ 120