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QF4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N17C16sing1.35Å1.45Å
C16O18doub1.21Å1.18Å
C16C15sing1.51Å1.53Å
C33C32doub1.38Å1.39ÅAromatic
C33C34sing1.38Å1.38ÅAromatic
C15C14sing1.53Å1.45Å
C15C19sing1.53Å1.45Å
C32C31sing1.38Å1.39ÅAromatic
C14C13sing1.53Å1.53Å
C13N12sing1.47Å1.53Å
C34C29doub1.38Å1.39ÅAromatic
C19C20sing1.53Å1.52Å
C31C30doub1.38Å1.39ÅAromatic
C20N12sing1.47Å1.53Å
N12S10sing1.66Å1.71Å
C29C30sing1.38Å1.39ÅAromatic
C29C28sing1.51Å1.53Å
O21S10doub1.42Å1.47Å
S10N09doub1.49Å1.54Å
S10F11sing1.61Å1.61Å
N09C08sing1.33Å1.46Å
O27C28sing1.45Å1.40Å
O27C02sing1.35Å1.40Å
C07C08doub1.42Å1.38ÅAromatic
C07C06sing1.36Å1.39ÅAromatic
C08C22sing1.42Å1.39ÅAromatic
C02N03sing1.35Å1.46Å
C02O01doub1.22Å1.18Å
N03C04sing1.46Å1.46Å
C05C06sing1.51Å1.53Å
C05C04sing1.53Å1.52Å
C06C24doub1.39Å1.39ÅAromatic
C22C23doub1.36Å1.39ÅAromatic
C04C25sing1.47Å1.52Å
C25N26trip1.14Å1.13Å
C24C23sing1.39Å1.39ÅAromatic
C13H1sing1.09Å1.10Å
C13H2sing1.09Å1.10Å
C15H3sing1.09Å1.10Å
C20H4sing1.09Å1.10Å
C20H5sing1.09Å1.10Å
C22H6sing1.08Å1.08Å
C24H7sing1.08Å1.08Å
C28H8sing1.09Å1.10Å
C28H9sing1.09Å1.10Å
C04H10sing1.09Å1.10Å
C05H11sing1.09Å1.10Å
C05H12sing1.09Å1.10Å
C07H13sing1.08Å1.08Å
C14H14sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C23H18sing1.08Å1.08Å
C30H19sing1.08Å1.08Å
C31H20sing1.08Å1.08Å
C32H21sing1.08Å1.08Å
C33H22sing1.08Å1.08Å
C34H23sing1.08Å1.08Å
N03H24sing0.97Å1.00Å
N17H26sing0.97Å1.00Å
N17H27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N17C16O18120.1°120.0°
N17C16C15120.2°120.0°
C16N17H26120.0°119.9°
C16N17H27120.0°120.0°
O18C16C15119.7°120.0°
C16C15C14110.9°109.5°
C16C15C19109.6°109.3°
C16C15H3107.8°109.4°
C32C33C34120.1°120.0°
C33C32C31119.9°120.0°
C33C32H21120.1°120.0°
C32C33H22120.0°120.0°
C33C34C29120.1°119.9°
C34C33H22119.9°120.0°
C33C34H23120.0°120.0°
C14C15C19110.7°109.4°
C15C14C13111.5°109.3°
C14C15H3108.8°109.5°
C15C14H14108.9°109.5°
C15C14H15109.0°109.5°
C15C19C20109.6°109.3°
C19C15H3108.9°109.7°
C15C19H16109.4°109.6°
C15C19H17109.4°109.5°
C32C31C30120.0°120.0°
C32C31H20120.0°119.9°
C31C32H21120.1°120.1°
C14C13N12115.4°108.8°
C14C13H1108.0°109.6°
C14C13H2107.9°109.6°
C13C14H14109.0°109.3°
C13C14H15108.9°109.7°
C13N12C20112.1°118.7°
C13N12S10122.3°120.6°
N12C13H1108.0°109.6°
N12C13H2108.0°109.6°
C34C29C30119.7°120.0°
C34C29C28120.1°119.9°
C29C34H23119.9°120.0°
C19C20N12112.7°108.8°
C19C20H4108.7°109.6°
C19C20H5108.7°109.7°
C20C19H16109.4°109.3°
C20C19H17109.4°109.6°
C31C30C29120.2°120.0°
C31C30H19119.9°120.0°
C30C31H20120.0°120.0°
C20N12S10120.5°120.7°
N12C20H4108.6°109.6°
N12C20H5108.7°109.6°
N12S10O21100.7°109.5°
N12S10N09117.4°109.4°
N12S10F11119.7°109.5°
C30C29C28120.2°120.1°
C29C30H19119.9°119.9°
C29C28O27109.1°109.5°
C29C28H8109.6°109.5°
C29C28H9109.5°109.4°
O21S10N0991.4°109.5°
O21S10F11101.2°109.5°
N09S10F11117.4°109.5°
S10N09C08119.4°120.0°
N09C08C07119.4°120.3°
N09C08C22120.6°120.3°
C28O27C02114.5°117.0°
O27C28H8109.5°109.5°
O27C28H9109.6°109.4°
O27C02N03120.3°120.0°
O27C02O01119.8°120.0°
C08C07C06119.6°119.6°
C07C08C22120.0°119.3°
C08C07H13120.2°120.2°
C07C06C05119.1°119.9°
C07C06C24120.7°120.3°
C06C07H13120.2°120.2°
C08C22C23120.2°119.6°
C08C22H6119.9°120.1°
N03C02O01119.9°120.0°
C02N03C04120.5°120.0°
C02N03H24119.8°120.0°
N03C04C05109.5°109.4°
N03C04C25111.1°109.4°
N03C04H10110.9°109.5°
C04N03H24119.8°120.0°
C06C05C04112.7°109.5°
C05C06C24120.2°119.8°
C06C05H11108.6°109.5°
C06C05H12108.6°109.5°
C05C04C25105.4°109.5°
C05C04H10109.9°109.5°
C04C05H11108.7°109.5°
C04C05H12108.7°109.4°
C06C24C23119.7°120.7°
C06C24H7120.2°119.7°
C22C23C24119.8°120.4°
C23C22H6119.9°120.3°
C22C23H18120.1°119.8°
C04C25N26178.3°180.0°
C25C04H10109.9°109.5°
C23C24H7120.2°119.6°
C24C23H18120.1°119.8°
H1C13H2109.5°109.6°
H4C20H5109.5°109.6°
H8C28H9109.5°109.5°
H11C05H12109.5°109.5°
H14C14H15109.5°109.5°
H16C19H17109.5°109.6°
H26N17H27120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N17C16O18C15179.9°179.9°
N17C16C15C1418.3°180.0°
N17C16C15C19140.9°60.2°
N17C16C15H3100.7°60.0°
C16N17H26H27180.0°180.0°
O18C16C15C14161.8°0.0°
O18C16C15C1939.3°119.9°
O18C16C15H379.1°120.0°
O18C16N17H260.0°0.0°
O18C16N17H27180.0°180.0°
C16C15C14C19121.9°119.8°
C16C15C14H3118.5°119.9°
C16C15C19H3117.7°120.0°
C16C15C14C13177.9°178.6°
C16C15C19C20170.9°178.5°
C16C15C14H1461.8°58.9°
C16C15C14H1557.6°61.2°
C16C15C19H1650.9°58.8°
C16C15C19H1769.0°61.3°
C15C16N17H26179.9°180.0°
C15C16N17H270.2°0.0°
C32C33C34H22180.0°179.6°
C33C32C31H21180.0°180.0°
C32C33C34C290.1°0.7°
C33C32C31C300.3°0.0°
C33C32C31H20179.7°180.0°
C32C33C34H23180.0°180.0°
C34C33C32C310.2°0.3°
C33C34C29H23180.0°179.3°
C33C34C29C300.1°0.7°
C33C34C29C28180.0°179.6°
C34C33C32H21179.9°179.7°
C14C15C19H3119.6°120.2°
C15C14C13H14120.3°119.8°
C15C14C13H15120.3°120.1°
C15C14C13N1245.6°54.7°
C14C15C19C2066.4°61.6°
C15C14C13H1166.5°65.2°
C15C14C13H275.2°174.5°
C15C14H14H15119.1°120.1°
C14C15C19H16173.6°178.7°
C14C15C19H1753.6°58.5°
C19C15C14C1360.2°61.6°
C15C19C20H16120.0°119.9°
C15C19C20H17120.0°120.1°
C15C19C20N1257.4°54.7°
C15C19C20H463.0°174.5°
C15C19C20H5177.9°65.2°
C19C15C14H1460.1°178.7°
C19C15C14H15179.5°58.6°
C15C19H16H17120.0°120.1°
C32C31C30H20180.0°180.0°
C32C31C30C290.3°0.0°
C32C31C30H19179.7°180.0°
C31C32C33H22179.8°180.0°
C14C13N12H1120.9°119.8°
C14C13N12H2120.8°119.9°
C14C13N12C2037.1°53.4°
C14C13N12S10117.7°126.4°
C14C13H1H2117.3°120.3°
C13C14C15H359.4°58.7°
C13C14H14H15119.1°120.2°
C13N12C20C1942.6°53.4°
C13N12C20S10155.3°179.8°
C13N12S10O216.5°59.9°
C13N12S10N09103.7°180.0°
C13N12S10F11103.0°60.1°
N12C13H1H2117.3°120.4°
C13N12C20H477.9°173.2°
C13N12C20H5163.1°66.6°
N12C13C14H1474.7°174.5°
N12C13C14H15165.9°65.4°
C34C29C30C310.2°0.3°
C34C29C30C28180.0°179.7°
C34C29C28O2760.5°90.3°
C34C29C28H859.4°29.7°
C34C29C28H9179.5°149.7°
C34C29C30H19179.8°179.7°
C29C34C33H22179.9°179.7°
C19C20N12H4120.5°119.8°
C19C20N12H5120.5°119.9°
C19C20N12S10112.7°126.4°
C20C19C15H353.2°58.6°
C19C20H4H5118.5°120.4°
C20C19H16H17119.9°120.1°
C31C30C29H19180.0°180.0°
C31C30C29C28179.9°180.0°
C30C31C32H21179.7°180.0°
C20N12S10O21159.3°120.3°
C20N12S10N09103.5°0.2°
C20N12S10F1149.7°119.7°
C20N12C13H1158.0°66.4°
C20N12C13H283.7°173.3°
N12C20H4H5118.5°120.3°
N12C20C19H16177.4°174.6°
N12C20C19H1762.6°65.3°
N12S10O21N09118.2°120.0°
N12S10O21F11123.5°120.0°
N12S10N09F11153.9°120.0°
N12S10N09C08132.2°180.0°
S10N12C13H13.2°113.8°
S10N12C13H2121.5°6.5°
S10N12C20H4126.8°6.6°
S10N12C20H57.8°113.6°
C30C29C28O27119.4°90.0°
C30C29C28H8120.6°150.0°
C30C29C28H90.5°30.0°
C29C30C31H20179.7°180.0°
C30C29C34H23180.0°180.0°
C29C28O27H8119.9°120.0°
C29C28O27H9119.9°119.9°
C29C28O27C02164.6°180.0°
C29C28H8H9120.1°120.0°
C28C29C30H190.1°0.0°
C28C29C34H230.0°0.3°
O21S10N09F11103.4°120.0°
O21S10N09C08125.0°60.0°
S10N09C08C07115.2°179.9°
S10N09C08C2264.8°0.0°
F11S10N09C0821.7°60.0°
N09C08C07C22179.9°179.9°
N09C08C07C06180.0°179.5°
N09C08C22C23180.0°180.0°
N09C08C22H60.1°0.4°
N09C08C07H130.0°0.2°
C28O27C02N03136.9°179.9°
C28O27C02O0143.8°0.1°
O27C28H8H9120.2°120.0°
O27C02N03O01179.3°180.0°
O27C02N03C04154.2°179.9°
C02O27C28H875.4°60.0°
C02O27C28H944.7°60.1°
O27C02N03H2425.7°0.1°
C08C07C06H13180.0°179.6°
C08C07C06C05179.8°179.7°
C08C07C06C240.1°0.7°
C07C08C22C230.0°0.1°
C07C08C22H6180.0°179.7°
C06C07C08C220.1°0.4°
C07C06C05C24179.9°179.5°
C07C06C05C04102.8°90.4°
C07C06C24C230.0°0.5°
C07C06C24H7180.0°179.5°
C07C06C05H11136.7°149.6°
C07C06C05H1217.7°29.5°
C08C22C23H6180.0°179.7°
C08C22C23C240.1°0.3°
C22C08C07H13179.9°179.9°
C08C22C23H18180.0°179.7°
C02N03C04H24180.0°179.9°
C02N03C04C05111.4°155.0°
C02N03C04C25132.6°85.1°
C02N03C04H1010.0°35.0°
O01C02N03C0425.1°0.1°
O01C02N03H24154.9°179.9°
N03C04C05C0689.1°65.1°
N03C04C05C25119.6°119.9°
N03C04C05H10122.0°120.1°
N03C04C25H10123.1°120.1°
N03C04C25N26113.0°43.4°
N03C04C05H11150.4°55.0°
N03C04C05H1231.3°175.0°
C06C05C04H11120.5°120.0°
C06C05C04H12120.5°120.0°
C06C05C04C25151.3°175.0°
C05C06C24C23179.9°179.9°
C05C06C24H70.1°0.0°
C06C05C04H1032.9°55.0°
C06C05H11H12118.5°120.0°
C05C06C07H130.2°0.1°
C04C05C06C2477.3°90.0°
C05C04C25H10118.4°120.0°
C05C04C25N265.5°76.5°
C04C05H11H12118.5°120.0°
C05C04N03H2468.6°24.9°
C06C24C23C220.1°0.0°
C06C24C23H7180.0°179.9°
C24C06C05H1143.2°30.0°
C24C06C05H12162.3°150.0°
C24C06C07H13179.9°179.6°
C06C24C23H18180.0°179.9°
C22C23C24H18180.0°179.9°
C22C23C24H7179.9°180.0°
C25C04C05H1130.8°65.0°
C25C04C05H1288.2°55.0°
C25C04N03H2447.4°95.1°
N26C25C04H10123.9°163.5°
C24C23C22H6179.9°179.9°
H1C13C14H1446.2°54.6°
H1C13C14H1573.2°174.7°
H2C13C14H14164.5°65.6°
H2C13C14H1545.1°54.5°
H3C15C14H14179.7°61.0°
H3C15C14H1560.9°178.8°
H3C15C19H1666.8°61.1°
H3C15C19H17173.2°178.7°
H4C20C19H1657.0°65.6°
H4C20C19H17176.9°54.5°
H5C20C19H1662.1°54.7°
H5C20C19H1757.9°174.8°
H6C22C23H180.1°0.0°
H7C24C23H180.1°0.1°
H10C04C05H1187.6°175.0°
H10C04C05H12153.4°65.0°
H10C04N03H24170.0°144.9°
H19C30C31H200.3°0.0°
H20C31C32H210.3°0.0°
H21C32C33H220.1°0.0°
H22C33C34H230.0°0.4°

226262

PDB entries from 2024-10-16

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