15LYY_7BJ_A_501 2 RCSB PDB12061718553D 3Coordinates from PDB:5LYY:A:501 Model:1 without hydrogens 4 22 24 0 0 0 0 999 V2000 5 22.5580 9.0260 -4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 6 23.2160 7.9420 -5.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 7 24.1190 7.5620 -2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 8 25.5680 5.7080 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 9 26.2250 5.0710 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 10 28.1890 3.5960 -1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 11 27.1460 1.4920 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 12 26.8160 0.7230 -3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 13 27.7060 -0.4930 -3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 14 27.6630 -1.4080 -2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 15 26.1290 2.6070 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 16 23.4360 8.6730 -2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 17 22.6470 9.4100 -3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 18 21.7800 9.7560 -5.3720 F 0 0 0 0 0 0 0 0 0 0 0 0 19 24.0060 7.1980 -4.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 20 24.8770 6.8900 -1.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 21 26.8260 3.7840 -1.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 22 29.0180 4.4820 -1.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 23 28.3730 2.2740 -1.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 24 28.0650 -0.6600 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 25 27.1740 0.5500 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 26 24.9340 2.4850 -1.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 27 14 1 1 0 0 0 0 28 2 1 2 0 0 0 0 29 2 15 1 0 0 0 0 30 1 13 1 0 0 0 0 31 15 3 2 0 0 0 0 32 9 8 1 0 0 0 0 33 9 10 1 0 0 0 0 34 13 12 2 0 0 0 0 35 8 7 1 0 0 0 0 36 3 12 1 0 0 0 0 37 3 16 1 0 0 0 0 38 4 16 1 0 0 0 0 39 4 5 1 0 0 0 0 40 10 20 1 0 0 0 0 41 19 7 1 0 0 0 0 42 19 6 1 0 0 0 0 43 18 6 2 0 0 0 0 44 7 11 1 0 0 0 0 45 7 21 1 0 0 0 0 46 6 17 1 0 0 0 0 47 11 17 1 0 0 0 0 48 11 22 2 0 0 0 0 49 17 5 1 0 0 0 0 50 20 21 1 0 0 0 0 51A 1 52C2 53A 2 54C3 55A 3 56C5 57A 4 58C7 59A 5 60C8 61A 6 62C10 63A 7 64C13 65A 8 66C14 67A 9 68C15 69A 10 70C16 71A 11 72C19 73A 12 74C21 75A 13 76C22 77A 14 78F1 79A 15 80C4 81A 16 82O6 83A 17 84N9 85A 18 86O11 87A 19 88N12 89A 20 90C17 91A 21 92C18 93A 22 94O20 95M END 96> <InstanceId> 975LYY_7BJ_A_501 98 99> <ChemCompId> 1007BJ 101 102> <PdbId> 1035LYY 104 105> <ChainId> 106A 107 108> <ResidueNumber> 109501 110 111> <InsertionCode> 112 113 114> <Model> 1151 116 117> <AltIds> 118 119 120> <MissingHeavyAtoms> 1210 122 123> <ObservedFormula> 124C16 N2 O3 F 125 126> <Name> 1273-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione 128 129> <SystematicName> 1303-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione 131 132> <Synonyms> 133 134 135> <Type> 136NON-POLYMER 137 138> <Formula> 139C16 H19 F N2 O3 140 141> <MolecularWeight> 142306.332 143 144> <ModifiedDate> 1452016-12-16 146 147> <Parent> 148 149 150> <OneLetterCode> 151 152 153> <SubcomponentList> 154 155 156> <AmbiguousFlag> 157N 158 159> <InChI> 160InChI=1S/C16H19FN2O3/c17-12-4-6-13(7-5-12)22-11-10-19-14(20)16(18-15(19)21)8-2-1-3-9-16/h4-7H,1-3,8-11H2,(H,18,21) 161 162> <InChIKey> 163WWRSQXLLQVERHE-UHFFFAOYSA-N 164 165> <SMILES> 166c1cc(ccc1OCCN2C(=O)C3(CCCCC3)NC2=O)F 167 168$$$$ 169