13Q1M_M4A_A_285 2 RCSB PDB12061710213D 3Coordinates from PDB:3Q1M:A:285 Model:1 without hydrogens 4 12 13 0 0 0 0 999 V2000 5 57.5720 22.5330 62.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 6 61.6510 24.7270 63.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 7 58.6200 25.1350 67.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 8 59.8560 25.5470 67.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 9 57.8500 24.5330 66.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 10 60.3920 25.3700 66.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 11 59.6610 23.6630 62.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 12 57.7340 23.6220 64.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 13 58.3350 23.2730 63.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 14 60.3580 24.3490 63.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 15 58.3980 24.3410 65.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 16 59.7220 24.6540 65.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 17 1 9 1 0 0 0 0 18 2 10 1 0 0 0 0 19 3 4 2 0 0 0 0 20 3 5 1 0 0 0 0 21 4 6 1 0 0 0 0 22 5 11 2 0 0 0 0 23 6 12 2 0 0 0 0 24 7 9 1 0 0 0 0 25 7 10 2 0 0 0 0 26 8 9 2 0 0 0 0 27 8 11 1 0 0 0 0 28 10 12 1 0 0 0 0 29 11 12 1 0 0 0 0 30A 1 31CAA 32A 2 33NAB 34A 3 35CAC 36A 4 37CAD 38A 5 39CAE 40A 6 41CAF 42A 7 43CAG 44A 8 45NAH 46A 9 47CAI 48A 10 49CAJ 50A 11 51CAK 52A 12 53CAL 54M END 55> <InstanceId> 563Q1M_M4A_A_285 57 58> <ChemCompId> 59M4A 60 61> <PdbId> 623Q1M 63 64> <ChainId> 65A 66 67> <ResidueNumber> 68285 69 70> <InsertionCode> 71 72 73> <Model> 741 75 76> <AltIds> 77 78 79> <MissingHeavyAtoms> 800 81 82> <ObservedFormula> 83C10 N2 84 85> <Name> 862-methylquinolin-4-amine 87 88> <SystematicName> 892-methylquinolin-4-amine 90 91> <Synonyms> 92 93 94> <Type> 95NON-POLYMER 96 97> <Formula> 98C10 H10 N2 99 100> <MolecularWeight> 101158.2 102 103> <ModifiedDate> 1042011-06-10 105 106> <Parent> 107 108 109> <OneLetterCode> 110 111 112> <SubcomponentList> 113 114 115> <AmbiguousFlag> 116N 117 118> <InChI> 119InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12) 120 121> <InChIKey> 122COCFIBRMFPWUDW-UHFFFAOYSA-N 123 124> <SMILES> 125Cc1cc(c2ccccc2n1)N 126 127$$$$ 128