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6Y4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1sing1.43Å1.45Å
C1C2sing1.51Å1.51Å
F1C21sing1.40Å1.32Å
F3C21sing1.40Å1.33Å
C2C5doub1.39Å1.37ÅAromatic
C2C3sing1.39Å1.49ÅAromatic
C21C3sing1.51Å1.45Å
C21F2sing1.40Å1.32Å
C5N2sing1.32Å1.33ÅAromatic
C3N1doub1.32Å1.35ÅAromatic
N2C4doub1.32Å1.35ÅAromatic
N1C4sing1.33Å1.32ÅAromatic
C4N3sing1.38Å1.36Å
N3C10sing1.48Å1.46Å
N3C6sing1.48Å1.48Å
C10C11sing1.53Å1.53Å
C10C9sing1.51Å1.44Å
C11C12sing1.53Å1.54Å
C11C13sing1.53Å1.54Å
C6C7sing1.51Å1.51Å
C9C7sing1.40Å1.43ÅAromatic
C9N5doub1.31Å1.33ÅAromatic
C7C8doub1.35Å1.39ÅAromatic
N5N4sing1.40Å1.40ÅAromatic
C8N4sing1.35Å1.36ÅAromatic
N4C14sing1.40Å1.33Å
C14C20doub1.39Å1.39ÅAromatic
C14C15sing1.39Å1.38ÅAromatic
C20C19sing1.38Å1.38ÅAromatic
C15C16doub1.38Å1.39ÅAromatic
C19C18doub1.38Å1.39ÅAromatic
C16C18sing1.38Å1.39ÅAromatic
C16Ssing1.76Å1.61Å
C17Ssing1.81Å1.63Å
O3Sdoub1.42Å1.44Å
SO2doub1.42Å1.43Å
C8H1sing1.08Å1.08Å
C5H2sing1.08Å1.08Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C1H5sing1.09Å1.10Å
C1H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C15H10sing1.08Å1.08Å
C12H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C10H15sing1.09Å1.10Å
C17H16sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H18sing1.09Å1.10Å
C20H19sing1.08Å1.08Å
C19H20sing1.08Å1.08Å
C18H21sing1.08Å1.08Å
O1H22sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1C2108.5°109.5°
O1C1H5109.7°109.4°
O1C1H6109.7°109.4°
C1O1H22109.5°114.0°
C1C2C5119.7°120.7°
C1C2C3125.9°120.7°
C2C1H5109.7°109.5°
C2C1H6109.7°109.5°
F1C21F3114.0°109.5°
F1C21C3106.3°109.5°
F1C21F2114.8°109.5°
F3C21C3105.2°109.5°
F3C21F2112.4°109.4°
C5C2C3114.5°118.6°
C2C5N2117.8°119.2°
C2C5H2121.1°120.5°
C2C3C21119.5°120.4°
C2C3N1125.2°119.2°
C3C21F2102.8°109.4°
C21C3N1115.3°120.4°
C5N2C4125.1°120.8°
N2C5H2121.1°120.4°
C3N1C4114.2°120.7°
N2C4N1123.2°121.5°
N2C4N3115.3°119.2°
N1C4N3121.3°119.2°
C4N3C10114.9°111.0°
C4N3C6126.6°111.0°
C10N3C6117.9°104.2°
N3C10C11110.5°110.2°
N3C10C999.9°105.7°
N3C10H15110.8°110.2°
N3C6C796.6°105.7°
N3C6H3112.6°110.2°
N3C6H4112.6°110.2°
C11C10C9114.2°110.2°
C10C11C12107.5°109.4°
C10C11C13115.1°109.5°
C10C11H14107.6°109.5°
C11C10H15109.9°110.2°
C10C9C7112.0°108.0°
C10C9N5136.5°143.9°
C9C10H15111.2°110.3°
C12C11C13111.2°109.5°
C11C12H11109.5°109.5°
C11C12H12109.5°109.5°
C11C12H13109.5°109.4°
C12C11H14107.5°109.5°
C11C13H7109.5°109.5°
C11C13H8109.5°109.5°
C11C13H9109.5°109.5°
C13C11H14107.6°109.5°
C6C7C9111.9°108.0°
C6C7C8141.2°144.1°
C7C6H3112.6°110.2°
C7C6H4112.5°110.2°
C7C9N5111.5°108.1°
C9C7C8106.9°107.9°
C9N5N4102.7°108.3°
C7C8N4104.2°107.8°
C7C8H1127.9°126.1°
N5N4C8114.7°107.9°
N5N4C14120.4°126.0°
C8N4C14124.9°126.1°
N4C8H1127.9°126.1°
N4C14C20123.0°120.0°
N4C14C15121.4°120.1°
C20C14C15115.6°119.8°
C14C20C19121.6°119.9°
C14C20H19119.2°120.0°
C14C15C16124.4°120.0°
C14C15H10117.8°120.0°
C20C19C18121.7°120.1°
C19C20H19119.2°120.1°
C20C19H20119.1°120.0°
C15C16C18118.8°120.0°
C15C16S120.4°120.0°
C16C15H10117.8°120.0°
C19C18C16117.9°120.1°
C18C19H20119.1°119.9°
C19C18H21121.1°120.0°
C18C16S120.8°120.0°
C16C18H21121.0°119.9°
C16SC17113.7°104.5°
C16SO3102.9°104.3°
C16SO2113.4°104.3°
C17SO3103.1°110.5°
C17SO2108.2°110.5°
SC17H16109.5°109.5°
SC17H17109.5°109.4°
SC17H18109.4°109.5°
O3SO2115.2°121.0°
H3C6H4109.5°110.3°
H5C1H6109.5°109.5°
H7C13H8109.5°109.5°
H7C13H9109.5°109.4°
H8C13H9109.4°109.5°
H11C12H12109.5°109.5°
H11C12H13109.5°109.5°
H12C12H13109.5°109.4°
H16C17H17109.5°109.5°
H16C17H18109.5°109.5°
H17C17H18109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2H5119.8°120.0°
O1C1C2H6119.9°120.0°
O1C1C2C539.6°0.0°
O1C1C2C3140.0°180.0°
O1C1H5H6120.5°119.9°
C1C2C5C3179.7°180.0°
C1C2C3C210.4°0.3°
C1C2C5N2179.4°180.0°
C1C2C3N1179.0°179.4°
C1C2C5H20.6°0.2°
C2C1H5H6120.4°120.0°
C2C1O1H22180.0°180.0°
F1C21F3C3116.0°120.0°
F1C21F3F2132.9°120.1°
F1C21C3C262.5°65.8°
F1C21C3F2120.9°120.0°
F1C21C3N1118.8°115.0°
F3C21C3C258.8°54.2°
F3C21C3F2117.8°119.9°
F3C21C3N1120.0°124.9°
C5C2C3C21179.3°179.8°
C2C5N2H2180.0°179.7°
C5C2C3N10.7°0.6°
C2C5N2C40.7°0.3°
C5C2C1H580.2°120.0°
C5C2C1H6159.5°120.0°
C2C3C21N1178.7°179.1°
C2C3C21F2176.6°174.1°
C3C2C5N20.2°0.0°
C2C3N1C40.1°0.9°
C3C2C5H2179.8°179.7°
C3C2C1H5100.2°60.0°
C3C2C1H620.1°60.0°
C21C3N1C4178.8°180.0°
F2C21C3N12.1°5.0°
C5N2C4N11.3°0.0°
C5N2C4N3176.9°180.0°
C3N1C4N20.8°0.6°
C3N1C4N3176.2°179.4°
N2C4N1N3175.3°180.0°
N2C4N3C104.5°0.0°
N2C4N3C6174.6°115.4°
C4N2C5H2179.3°180.0°
N1C4N3C10171.2°180.0°
N1C4N3C61.0°64.6°
C4N3C10C6171.1°119.5°
C4N3C10C1181.9°93.5°
C4N3C10C9157.5°147.5°
C4N3C6C7156.6°147.4°
C4N3C6H338.8°28.4°
C4N3C6H485.5°93.5°
C4N3C10H1540.1°28.3°
N3C10C11C9111.7°116.3°
N3C10C11H15122.5°121.8°
N3C10C9H15117.0°119.1°
N3C10C11C12167.9°180.0°
N3C10C11C1367.6°60.0°
C10N3C6C713.2°27.9°
N3C10C9C77.4°17.6°
N3C10C9N5175.0°162.0°
C10N3C6H3131.1°91.1°
C10N3C6H4104.6°147.0°
N3C10C11H1452.3°60.0°
C6N3C10C11107.1°147.0°
C6N3C10C913.6°27.9°
N3C6C7H3117.8°119.0°
N3C6C7H4117.8°119.1°
N3C6C7C97.4°17.6°
N3C6C7C8175.0°162.4°
N3C6H3H4126.1°121.9°
C6N3C10H15130.9°91.2°
C11C10C9H15125.0°121.8°
C10C11C12C13126.8°120.0°
C10C11C12H14115.6°120.0°
C10C11C13H14120.0°120.0°
C11C10C9C7110.6°136.7°
C11C10C9N567.0°43.0°
C10C11C13H7180.0°180.0°
C10C11C13H860.0°60.0°
C10C11C13H960.0°60.0°
C10C11C12H11180.0°60.0°
C10C11C12H1260.0°60.1°
C10C11C12H1360.0°180.0°
C9C10C11C1280.4°63.7°
C9C10C11C1344.1°176.3°
C10C9C7C60.1°0.0°
C10C9C7N5178.2°179.8°
C10C9C7C8178.6°180.0°
C10C9N5N4179.1°180.0°
C9C10C11H14164.0°56.3°
C12C11C13H14117.5°120.0°
C12C11C13H757.5°60.0°
C12C11C13H862.5°180.0°
C12C11C13H9177.5°60.0°
C11C12H11H12120.0°120.1°
C11C12H11H13120.0°120.0°
C11C12H12H13120.0°119.9°
C12C11C10H1545.4°58.2°
C11C13H7H8120.0°120.0°
C11C13H7H9120.0°120.0°
C11C13H8H9120.0°120.0°
C13C11C12H1153.2°59.9°
C13C11C12H12173.1°180.0°
C13C11C12H1366.8°60.0°
C13C11C10H15169.9°61.8°
C6C7C9C8178.4°180.0°
C6C7C9N5178.1°179.8°
C6C7C8N4178.7°180.0°
C6C7C8H11.3°0.1°
C7C6H3H4126.0°121.8°
C7C9N5N41.5°0.4°
C9C7C8N41.0°0.1°
C9C7C8H1178.9°179.9°
C9C7C6H3125.3°101.4°
C9C7C6H4110.4°136.7°
C7C9C10H15124.4°101.5°
N5C9C7C80.4°0.3°
C9N5N4C82.3°0.3°
C9N5N4C14179.3°179.9°
N5C9C10H1558.0°78.8°
C7C8N4N52.2°0.2°
C7C8N4H1180.0°179.9°
C7C8N4C14179.6°180.0°
C8C7C6H357.1°78.5°
C8C7C6H467.2°43.4°
N5N4C8C14178.3°179.8°
N5N4C14C2010.9°174.7°
N5N4C14C15169.0°5.5°
N5N4C8H1177.8°179.7°
C8N4C14C20167.3°5.1°
C8N4C14C1512.8°174.7°
N4C14C20C15179.9°179.8°
N4C14C20C19177.8°180.0°
N4C14C15C16178.2°180.0°
C14N4C8H10.4°0.1°
N4C14C15H101.8°0.0°
N4C14C20H192.2°0.1°
C14C20C19H19180.0°179.9°
C20C14C15C161.9°0.3°
C14C20C19C181.7°0.0°
C20C14C15H10178.1°179.8°
C14C20C19H20178.3°180.0°
C15C14C20C192.3°0.2°
C14C15C16H10180.0°179.9°
C14C15C16C180.9°0.0°
C14C15C16S179.3°180.0°
C15C14C20H19177.7°179.7°
C20C19C18H20180.0°180.0°
C20C19C18C160.6°0.3°
C20C19C18H21179.4°180.0°
C15C16C18C190.2°0.3°
C15C16C18S178.3°180.0°
C15C16SC175.4°90.0°
C15C16SO3105.3°153.9°
C15C16SO2129.6°26.1°
C15C16C18H21179.8°180.0°
C19C18C16H21180.0°179.7°
C19C18C16S178.5°179.7°
C18C19C20H19178.3°180.0°
C18C16SC17176.3°90.0°
C18C16SO373.0°26.1°
C18C16SO252.1°153.9°
C18C16C15H10179.1°179.9°
C16C18C19H20179.4°179.7°
C16SC17O3110.6°111.7°
C16SC17O2126.9°111.7°
C16SO3O2123.9°116.8°
SC16C15H100.7°0.1°
C16SC17H16180.0°180.0°
C16SC17H1760.0°60.0°
C16SC17H1860.0°60.0°
SC16C18H211.5°0.0°
C17SO3O2117.7°131.4°
SC17H16H17120.0°120.0°
SC17H16H18120.0°120.0°
SC17H17H18120.0°120.0°
O3SC17H1669.4°68.3°
O3SC17H1750.6°171.7°
O3SC17H18170.6°51.7°
O2SC17H1653.1°68.3°
O2SC17H17173.1°51.7°
O2SC17H1866.9°171.6°
H5C1O1H2260.2°60.0°
H6C1O1H2260.2°59.9°
H7C13H8H9120.0°119.9°
H7C13C11H1460.0°60.0°
H8C13C11H14180.0°60.0°
H9C13C11H1460.0°180.0°
H11C12H12H13120.0°120.0°
H11C12C11H1464.4°180.0°
H12C12C11H1455.6°59.9°
H13C12C11H14175.6°60.0°
H14C11C10H1570.2°178.2°
H16C17H17H18120.0°120.0°
H19C20C19H201.7°0.0°
H20C19C18H210.6°0.0°

222415

PDB entries from 2024-07-10

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