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KLD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C07C04sing1.51Å1.52Å
C04C03doub1.38Å1.39ÅAromatic
C04C05sing1.39Å1.39ÅAromatic
C03C02sing1.39Å1.40ÅAromatic
C05C06doub1.38Å1.39ÅAromatic
C06N01sing1.32Å1.35ÅAromatic
C06C08sing1.51Å1.51Å
C02N01doub1.32Å1.35ÅAromatic
C02N02sing1.39Å1.35Å
F13C13sing1.35Å1.34Å
C08C09sing1.53Å1.51Å
C13C14doub1.38Å1.39ÅAromatic
C13C12sing1.38Å1.39ÅAromatic
C14C15sing1.38Å1.39ÅAromatic
C12C11doub1.38Å1.39ÅAromatic
C15C16doub1.38Å1.39ÅAromatic
C15C17sing1.51Å1.51Å
C11C16sing1.38Å1.39ÅAromatic
C11C09sing1.51Å1.51Å
C17C18sing1.53Å1.53Å
C24C25sing1.55Å1.52Å
C24C23sing1.55Å1.52Å
C18C25sing1.53Å1.53Å
C25N21sing1.49Å1.48Å
C23F23sing1.40Å1.37Å
C23C22sing1.54Å1.53Å
N21C21sing1.47Å1.47Å
N21C22sing1.48Å1.47Å
C12H1sing1.08Å1.08Å
C16H2sing1.08Å1.08Å
C14H3sing1.08Å1.08Å
C03H4sing1.08Å1.08Å
C05H5sing1.08Å1.08Å
C07H6sing1.09Å1.10Å
C07H7sing1.09Å1.10Å
C07H8sing1.09Å1.10Å
C08H9sing1.09Å1.10Å
C08H10sing1.09Å1.10Å
C09H11sing1.09Å1.10Å
C09H12sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C17H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C21H17sing1.09Å1.10Å
C21H18sing1.09Å1.10Å
C21H19sing1.09Å1.10Å
C22H20sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C24H23sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
N02H26sing0.97Å1.00Å
N02H27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C07C04C03121.2°120.8°
C07C04C05119.4°120.7°
C04C07H6109.5°109.4°
C04C07H7109.5°109.4°
C04C07H8109.5°109.4°
C03C04C05119.4°118.5°
C04C03C02118.9°119.1°
C04C03H4120.6°120.4°
C04C05C06120.1°119.3°
C04C05H5119.9°120.3°
C03C02N01120.5°120.6°
C03C02N02120.4°119.7°
C02C03H4120.5°120.4°
C05C06N01120.0°120.9°
C05C06C08119.2°119.6°
C06C05H5119.9°120.4°
N01C06C08120.8°119.6°
C06N01C02121.0°121.6°
C06C08C09107.3°109.5°
C06C08H9110.0°109.5°
C06C08H10110.0°109.5°
N01C02N02119.1°119.7°
C02N02H26109.5°120.0°
C02N02H27109.5°120.0°
F13C13C14120.5°120.1°
F13C13C12118.9°120.0°
C08C09C11111.9°109.4°
C09C08H9110.0°109.5°
C09C08H10110.0°109.5°
C08C09H11108.9°109.4°
C08C09H12108.8°109.5°
C14C13C12120.6°119.9°
C13C14C15119.5°120.0°
C13C14H3120.2°120.0°
C13C12C11119.9°120.0°
C13C12H1120.1°120.0°
C14C15C16119.8°120.0°
C14C15C17120.4°120.0°
C15C14H3120.3°120.0°
C12C11C16119.8°120.0°
C12C11C09119.1°120.0°
C11C12H1120.0°120.0°
C16C15C17119.7°120.0°
C15C16C11120.4°120.1°
C15C16H2119.8°119.9°
C15C17C18107.8°109.4°
C15C17H13109.9°109.5°
C15C17H14109.9°109.5°
C16C11C09121.1°120.0°
C11C16H2119.8°120.0°
C11C09H11108.8°109.5°
C11C09H12108.9°109.5°
C17C18C25112.2°109.5°
C18C17H13109.9°109.5°
C18C17H14109.9°109.5°
C17C18H15108.8°109.5°
C17C18H16108.8°109.5°
C25C24C23107.2°102.9°
C24C25C18109.6°110.7°
C24C25N21108.3°103.4°
C25C24H23110.0°110.7°
C25C24H24110.0°110.7°
C24C25H25109.3°110.6°
C24C23F23110.2°110.3°
C24C23C22106.3°105.2°
C24C23H22109.4°110.4°
C23C24H23110.0°110.9°
C23C24H24110.0°110.7°
C18C25N21110.3°110.7°
C25C18H15108.8°109.5°
C25C18H16108.8°109.5°
C18C25H25109.3°110.6°
C25N21C21109.9°111.0°
C25N21C22109.0°105.7°
N21C25H25110.0°110.6°
F23C23C22110.0°110.3°
F23C23H22111.6°110.3°
C23C22N21108.6°107.2°
C23C22H20109.7°109.9°
C23C22H21109.7°109.9°
C22C23H22109.3°110.3°
C21N21C22109.4°111.2°
N21C21H17109.5°109.5°
N21C21H18109.5°109.5°
N21C21H19109.5°109.5°
N21C22H20109.7°109.9°
N21C22H21109.7°109.9°
H6C07H7109.4°109.5°
H6C07H8109.5°109.5°
H7C07H8109.5°109.5°
H9C08H10109.4°109.5°
H11C09H12109.4°109.5°
H13C17H14109.5°109.4°
H15C18H16109.4°109.5°
H17C21H18109.5°109.4°
H17C21H19109.4°109.5°
H18C21H19109.5°109.5°
H20C22H21109.5°109.9°
H23C24H24109.5°110.8°
H26N02H27109.5°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C07C04C03C05178.7°179.9°
C07C04C03C02179.5°179.9°
C07C04C05C06178.9°180.0°
C07C04C03H40.5°0.0°
C07C04C05H51.1°0.1°
C04C07H6H7120.0°120.0°
C04C07H6H8120.0°120.0°
C04C07H7H8120.0°120.0°
C04C03C02H4180.0°180.0°
C03C04C05C060.1°0.0°
C04C03C02N010.6°0.1°
C04C03C02N02179.6°179.7°
C03C04C05H5179.8°180.0°
C03C04C07H689.3°90.0°
C03C04C07H7150.7°150.0°
C03C04C07H830.7°30.0°
C05C04C03C020.8°0.0°
C04C05C06H5180.0°180.0°
C04C05C06N010.7°0.0°
C04C05C06C08179.8°180.0°
C05C04C03H4179.2°180.0°
C05C04C07H689.4°90.1°
C05C04C07H730.6°30.0°
C05C04C07H8150.6°150.0°
C03C02N01C060.2°0.1°
C03C02N01N02179.8°179.6°
C03C02N02H26179.8°179.7°
C03C02N02H2759.7°0.3°
C05C06N01C08179.6°180.0°
C05C06N01C020.8°0.1°
C05C06C08C0995.7°125.0°
C05C06C08H924.0°115.0°
C05C06C08H10144.6°5.0°
C06N01C02N02179.6°179.8°
N01C06C08C0983.9°55.0°
N01C06C05H5179.4°180.0°
N01C06C08H9156.5°65.0°
N01C06C08H1035.8°175.0°
C08C06N01C02179.6°180.0°
C06C08C09H9119.7°120.0°
C06C08C09H10119.7°120.0°
C06C08C09C11114.0°180.0°
C08C06C05H50.2°0.0°
C06C08H9H10121.0°120.0°
C06C08C09H11125.7°60.0°
C06C08C09H126.4°60.0°
N01C02C03H4179.4°180.0°
N01C02N02H260.0°0.0°
N01C02N02H27120.0°179.9°
N02C02C03H40.4°0.3°
C02N02H26H27120.0°179.9°
F13C13C14C12179.9°179.8°
F13C13C14C15179.8°179.7°
F13C13C12C11179.6°179.7°
F13C13C12H10.4°0.2°
F13C13C14H30.2°0.2°
C08C09C11C1297.7°90.0°
C08C09C11C1683.6°90.0°
C08C09C11H11120.4°119.9°
C08C09C11H12120.4°120.0°
C09C08H9H10121.0°120.0°
C08C09H11H12118.9°120.0°
C13C14C15H3180.0°180.0°
C14C13C12C110.5°0.0°
C13C14C15C160.4°0.0°
C13C14C15C17179.5°180.0°
C14C13C12H1179.5°180.0°
C12C13C14C150.4°0.0°
C13C12C11H1180.0°180.0°
C13C12C11C160.8°0.0°
C13C12C11C09179.5°180.0°
C12C13C14H3179.7°180.0°
C14C15C16C17179.1°180.0°
C14C15C16C110.7°0.0°
C14C15C17C18126.4°90.0°
C14C15C16H2179.3°180.0°
C14C15C17H136.7°30.0°
C14C15C17H14113.9°150.0°
C12C11C16C150.8°0.0°
C12C11C16C09178.7°180.0°
C12C11C16H2179.1°180.0°
C12C11C09H11141.9°150.0°
C12C11C09H1222.7°30.0°
C15C16C11H2180.0°180.0°
C15C16C11C09179.5°180.0°
C16C15C17C1852.7°90.0°
C16C15C14H3179.6°180.0°
C16C15C17H13172.5°150.0°
C16C15C17H1467.0°30.0°
C17C15C16C11179.8°180.0°
C15C17C18H13119.7°120.0°
C15C17C18H14119.7°120.0°
C15C17C18C25157.5°174.9°
C17C15C16H20.2°0.0°
C17C15C14H30.5°0.0°
C15C17H13H14120.8°120.1°
C15C17C18H1537.1°55.0°
C15C17C18H1682.1°65.1°
C16C11C12H1179.2°180.0°
C16C11C09H1136.8°30.0°
C16C11C09H12156.0°150.0°
C09C11C12H10.5°0.0°
C09C11C16H20.4°0.0°
C11C09C08H95.7°60.0°
C11C09C08H10126.3°60.0°
C11C09H11H12118.9°120.0°
C17C18C25C2458.6°65.4°
C17C18C25H15120.4°120.0°
C17C18C25H16120.4°120.0°
C17C18C25N21177.8°179.4°
C18C17H13H14120.8°120.0°
C17C18H15H16118.8°120.0°
C17C18C25H2561.2°57.6°
C25C24C23H23119.6°118.4°
C25C24C23H24119.6°118.3°
C24C25C18N21119.2°114.0°
C24C25C18H25119.8°123.0°
C24C25N21H25119.4°118.5°
C25C24C23F23125.4°140.9°
C25C24C23C226.3°21.9°
C24C25N21C21118.0°159.6°
C24C25N21C221.9°38.9°
C24C25C18H15179.0°174.6°
C24C25C18H1661.8°54.6°
C25C24C23H22111.6°97.1°
C25C24H23H24121.0°123.2°
C23C24C25C18123.3°155.8°
C23C24C25N212.9°37.3°
C24C23F23C22116.9°115.8°
C24C23F23H22121.7°122.1°
C24C23C22H22118.0°119.0°
C24C23C22N217.6°1.1°
C24C23C22H20112.3°120.6°
C24C23C22H21127.4°118.3°
C23C24H23H24121.1°123.3°
C23C24C25H25116.9°81.2°
C18C25N21H25120.6°123.0°
C18C25N21C21122.1°81.8°
C18C25N21C22118.1°157.5°
C25C18C17H1382.8°65.0°
C25C18C17H1437.8°54.9°
C25C18H15H16118.8°120.0°
C18C25C24H233.7°85.7°
C18C25C24H24117.1°37.6°
C25N21C22C235.9°25.1°
C25N21C21C22119.6°117.4°
N21C25C18H1561.8°60.6°
N21C25C18H1657.3°59.4°
C25N21C21H17180.0°65.7°
C25N21C21H1860.0°174.4°
C25N21C21H1960.0°54.3°
C25N21C22H20113.9°144.5°
C25N21C22H21125.8°94.4°
N21C25C24H23116.7°155.8°
N21C25C24H24122.5°81.0°
F23C23C22H22122.8°122.1°
F23C23C22N21126.8°117.8°
F23C23C22H206.9°1.7°
F23C23C22H21113.3°122.8°
F23C23C24H235.8°100.7°
F23C23C24H24114.9°22.6°
C23C22N21C21114.2°145.6°
C23C22N21H20119.9°119.5°
C23C22N21H21119.8°119.5°
C23C22H20H21120.4°121.1°
C22C23C24H23113.3°140.3°
C22C23C24H24126.0°96.3°
N21C21H17H18120.0°120.0°
N21C21H17H19120.0°120.1°
N21C21H18H19120.0°120.0°
C21N21C22H20125.9°94.9°
C21N21C22H215.6°26.2°
C21N21C25H251.5°41.2°
C22N21C21H1760.4°176.9°
C22N21C21H1859.6°57.0°
C22N21C21H19179.6°63.0°
N21C22H20H21120.4°121.1°
N21C22C23H22110.4°120.1°
C22N21C25H25121.3°79.5°
H6C07H7H8120.0°120.1°
H9C08C09H11114.7°59.9°
H9C08C09H12126.1°180.0°
H10C08C09H116.0°180.0°
H10C08C09H12113.3°60.0°
H13C17C18H15156.8°175.0°
H13C17C18H1637.7°54.9°
H14C17C18H1582.7°65.0°
H14C17C18H16158.2°174.9°
H15C18C25H2559.2°62.4°
H16C18C25H25178.4°177.6°
H17C21H18H19119.9°120.0°
H20C22C23H22129.7°120.4°
H21C22C23H229.5°0.7°
H22C23C24H23128.8°21.3°
H22C23C24H248.1°144.7°
H23C24C25H25123.4°37.3°
H24C24C25H252.7°160.5°

221716

PDB entries from 2024-06-26

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