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9A3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F01C08sing1.40Å1.37Å
F03C08sing1.40Å1.37Å
F02C08sing1.40Å1.37Å
C08C07sing1.51Å1.55Å
C06C07doub1.38Å1.37ÅAromatic
C06C05sing1.38Å1.38ÅAromatic
C07C09sing1.38Å1.38ÅAromatic
C05C04doub1.38Å1.38ÅAromatic
C09C10doub1.38Å1.38ÅAromatic
C04C10sing1.38Å1.40ÅAromatic
C04C03sing1.51Å1.53Å
O01C01doub1.21Å1.22Å
C03C02sing1.53Å1.57Å
C01C02sing1.51Å1.58Å
C01N01sing1.35Å1.43Å
C21N01sing1.37Å1.40Å
C21C20doub1.36Å1.33Å
C26C27doub1.38Å1.38ÅAromatic
C26C25sing1.39Å1.40ÅAromatic
C27C22sing1.39Å1.40ÅAromatic
O03O02sing1.47Å1.39Å
C02O02sing1.43Å1.45Å
C02N02sing1.47Å1.50Å
N01C11sing1.38Å1.40Å
O04C25sing1.36Å1.39Å
C25C24doub1.39Å1.40ÅAromatic
C22C20sing1.48Å1.49Å
C22C23doub1.39Å1.39ÅAromatic
C20N03sing1.34Å1.45Å
C11N02doub1.31Å1.29Å
C11C12sing1.47Å1.48Å
C24C23sing1.38Å1.38ÅAromatic
N03C12doub1.30Å1.29Å
C12C13sing1.51Å1.54Å
C17C16doub1.38Å1.39ÅAromatic
C17C18sing1.38Å1.39ÅAromatic
C16C15sing1.38Å1.39ÅAromatic
C18C19doub1.38Å1.39ÅAromatic
C15C14doub1.38Å1.39ÅAromatic
C19C14sing1.38Å1.39ÅAromatic
C14C13sing1.51Å1.53Å
C10H1sing1.08Å1.08Å
C13H2sing1.09Å1.10Å
C13H3sing1.09Å1.10Å
C15H4sing1.08Å1.08Å
C03H5sing1.09Å1.10Å
C03H6sing1.09Å1.10Å
C05H7sing1.08Å1.08Å
C06H8sing1.08Å1.08Å
C09H9sing1.08Å1.08Å
C16H10sing1.08Å1.08Å
C17H11sing1.08Å1.08Å
C18H12sing1.08Å1.08Å
C19H13sing1.08Å1.08Å
C21H14sing1.08Å1.08Å
C23H15sing1.08Å1.08Å
C24H16sing1.08Å1.08Å
C26H17sing1.08Å1.08Å
C27H18sing1.08Å1.08Å
O03H20sing0.97Å0.95Å
O04H21sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F01C08F03106.7°109.5°
F01C08F02107.9°109.5°
F01C08C07111.6°109.5°
F03C08F02107.7°109.5°
F03C08C07109.3°109.5°
F02C08C07113.3°109.5°
C08C07C06119.5°120.0°
C08C07C09120.3°120.0°
C07C06C05120.5°120.0°
C06C07C09120.2°120.0°
C07C06H8119.7°120.0°
C06C05C04120.2°119.9°
C06C05H7119.9°120.0°
C05C06H8119.7°120.0°
C07C09C10119.4°120.0°
C07C09H9120.3°120.0°
C05C04C10119.1°120.0°
C05C04C03119.7°120.0°
C04C05H7119.9°120.0°
C09C10C04120.6°120.0°
C09C10H1119.7°120.0°
C10C09H9120.3°120.0°
C10C04C03121.2°120.0°
C04C10H1119.7°120.0°
C04C03C02109.7°109.5°
C04C03H5109.4°109.4°
C04C03H6109.4°109.5°
O01C01C02131.8°127.2°
O01C01N01125.2°127.3°
C03C02C01114.2°110.5°
C03C02O02107.3°110.5°
C03C02N02109.9°110.6°
C02C03H5109.4°109.5°
C02C03H6109.4°109.5°
C02C01N01102.9°105.4°
C01C02O02112.2°110.6°
C01C02N02105.5°104.0°
C01N01C21130.4°130.4°
C01N01C11107.9°110.8°
N01C21C20118.7°120.6°
C21N01C11121.7°118.8°
N01C21H14120.7°119.7°
C21C20C22122.4°119.1°
C21C20N03122.6°121.8°
C20C21H14120.6°119.7°
C27C26C25119.5°120.1°
C26C27C22121.2°119.9°
C27C26H17120.2°120.0°
C26C27H18119.5°120.0°
C26C25O04117.2°120.0°
C26C25C24119.5°120.1°
C25C26H17120.3°120.0°
C27C22C20120.8°120.0°
C27C22C23118.9°119.9°
C22C27H18119.4°120.1°
O03O02C02106.9°114.0°
O02O03H20109.5°114.0°
O02C02N02107.6°110.5°
C02N02C11106.1°107.8°
N01C11N02117.6°112.1°
N01C11C12116.0°118.0°
O04C25C24123.2°119.9°
C25O04H21109.5°114.0°
C25C24C23120.7°120.0°
C25C24H16119.6°120.0°
C20C22C23120.2°120.1°
C22C20N03115.0°119.1°
C22C23C24120.1°120.0°
C22C23H15119.9°120.0°
C20N03C12118.8°121.4°
N02C11C12126.4°129.9°
C11C12N03122.2°119.4°
C11C12C13115.3°120.3°
C24C23H15120.0°120.0°
C23C24H16119.6°120.0°
N03C12C13122.6°120.3°
C12C13C14109.9°109.5°
C12C13H2109.4°109.5°
C12C13H3109.4°109.5°
C16C17C18118.7°120.0°
C17C16C15120.0°120.0°
C17C16H10120.0°120.0°
C16C17H11120.6°120.0°
C17C18C19121.5°120.0°
C18C17H11120.7°120.0°
C17C18H12119.3°120.0°
C16C15C14121.1°120.0°
C16C15H4119.4°120.0°
C15C16H10120.0°120.0°
C18C19C14119.9°120.0°
C19C18H12119.3°120.0°
C18C19H13120.1°120.0°
C15C14C19118.9°120.0°
C15C14C13120.8°120.0°
C14C15H4119.5°120.0°
C19C14C13120.3°120.0°
C14C19H13120.1°120.0°
C14C13H2109.4°109.5°
C14C13H3109.4°109.5°
H2C13H3109.5°109.4°
H5C03H6109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F01C08F03F02115.7°120.0°
F01C08F03C07120.9°120.0°
F01C08F02C07124.1°120.0°
F01C08C07C0614.6°90.0°
F01C08C07C09166.5°89.7°
F03C08F02C07121.0°120.0°
F03C08C07C06103.2°30.0°
F03C08C07C0975.7°150.3°
F02C08C07C06136.7°150.0°
F02C08C07C0944.4°30.3°
C08C07C06C09178.9°179.7°
C08C07C06C05179.5°180.0°
C08C07C09C10180.0°179.7°
C08C07C06H80.5°0.2°
C08C07C09H90.0°0.3°
C07C06C05H8180.0°179.7°
C07C06C05C040.1°0.0°
C06C07C09C101.1°0.6°
C07C06C05H7179.9°180.0°
C06C07C09H9178.9°180.0°
C05C06C07C090.6°0.3°
C06C05C04H7180.0°179.9°
C06C05C04C100.4°0.1°
C06C05C04C03179.0°180.0°
C07C09C10H9180.0°179.4°
C07C09C10C040.9°0.5°
C07C09C10H1179.1°179.7°
C09C07C06H8179.4°180.0°
C05C04C10C090.1°0.2°
C05C04C10C03178.6°179.9°
C05C04C03C02113.7°90.0°
C05C04C10H1179.9°180.0°
C05C04C03H5126.3°150.1°
C05C04C03H66.3°30.0°
C04C05C06H8179.9°179.7°
C09C10C04H1180.0°179.8°
C09C10C04C03178.5°179.7°
C10C04C03C0264.9°90.0°
C10C04C03H555.1°30.0°
C10C04C03H6175.1°150.1°
C10C04C05H7179.7°180.0°
C04C10C09H9179.1°180.0°
C04C03C02H5120.1°120.0°
C04C03C02H6120.0°120.0°
C04C03C02C0154.0°180.0°
C04C03C02O0271.0°57.3°
C04C03C02N02172.3°65.4°
C03C04C10H11.5°0.0°
C04C03H5H6119.9°120.0°
C03C04C05H71.0°0.0°
O01C01C02C0359.9°61.2°
O01C01C02N01179.0°180.0°
O01C01N01C210.1°0.0°
O01C01C02O0262.5°61.4°
O01C01C02N02179.4°180.0°
O01C01N01C11179.0°180.0°
C03C02C01O02122.3°122.6°
C03C02C01N02120.8°118.7°
C03C02C01N01121.2°118.7°
C03C02O02O03115.2°176.9°
C03C02O02N02118.2°122.8°
C03C02N02C11124.3°118.7°
C02C03H5H6119.9°120.0°
C02C01N01C21179.2°180.0°
C01C02O02O0311.0°54.3°
C01C02O02N02115.6°114.6°
C02C01N01C110.1°0.0°
C01C02N02C110.8°0.0°
C01C02C03H5174.1°60.1°
C01C02C03H666.0°60.0°
C01N01C21C11179.0°180.0°
C01N01C21C20179.7°179.8°
N01C01C02O02116.5°118.6°
N01C01C02N020.4°0.0°
C01N01C11N020.7°0.0°
C01N01C11C12179.2°180.0°
C01N01C21H140.3°0.0°
N01C21C20H14180.0°179.8°
N01C21C20C22179.1°179.8°
N01C21C20N031.3°0.2°
C21N01C11N02179.9°180.0°
C21N01C11C120.0°0.0°
C21C20C22C2721.7°0.3°
C20C21N01C110.7°0.2°
C21C20C22N03178.0°179.9°
C21C20C22C23160.1°180.0°
C21C20N03C121.1°0.1°
C27C26C25H17180.0°179.5°
C26C27C22H18180.0°179.4°
C27C26C25O04179.9°179.8°
C27C26C25C240.3°0.3°
C26C27C22C20179.0°179.7°
C26C27C22C230.7°0.5°
C25C26C27C220.4°0.6°
C26C25O04C24179.5°179.9°
C26C25C24C230.6°0.0°
C26C25C24H16179.3°180.0°
C25C26C27H18179.6°180.0°
C26C25O04H21180.0°90.0°
C27C22C20C23178.2°179.7°
C27C22C20N03156.3°179.7°
C27C22C23C241.0°0.3°
C27C22C23H15179.0°179.7°
C22C27C26H17179.6°180.0°
O03O02C02N02126.6°60.3°
O02C02N02C11119.2°118.7°
O02C02C03H549.0°62.6°
O02C02C03H6169.0°177.3°
C02O02O03H207.4°179.9°
C02N02C11N010.9°0.0°
C02N02C11C12178.9°180.0°
N02C02C03H567.7°174.7°
N02C02C03H652.3°54.6°
N01C11N02C12179.8°179.9°
N01C11C12N030.2°0.2°
N01C11C12C13179.9°180.0°
C11N01C21H14179.3°179.9°
O04C25C24C23179.8°180.0°
O04C25C24H160.2°0.0°
O04C25C26H170.1°0.3°
C25C24C23C221.0°0.0°
C25C24C23H16180.0°180.0°
C25C24C23H15179.0°180.0°
C24C25C26H17179.7°179.8°
C24C25O04H210.5°90.1°
C20C22C23C24179.2°180.0°
C22C20N03C12179.1°180.0°
C22C20C21H140.9°0.1°
C20C22C23H150.8°0.0°
C20C22C27H181.0°0.3°
C23C22C20N0321.9°0.0°
C22C23C24H15180.0°180.0°
C22C23C24H16179.0°180.0°
C23C22C27H18179.3°180.0°
C20N03C12C110.3°0.3°
C20N03C12C13179.3°180.0°
N03C20C21H14178.7°180.0°
N02C11C12N03180.0°179.7°
N02C11C12C130.3°0.0°
C11C12N03C13179.6°179.8°
C11C12C13C14105.5°180.0°
C11C12C13H2134.4°60.0°
C11C12C13H314.5°60.0°
N03C12C13C1474.1°0.3°
N03C12C13H245.9°119.8°
N03C12C13H3165.8°120.3°
C12C13C14C1556.4°90.0°
C12C13C14C19123.8°90.3°
C12C13C14H2120.0°120.0°
C12C13C14H3120.1°120.0°
C12C13H2H3119.8°119.9°
C16C17C18H11180.0°180.0°
C17C16C15H10180.0°179.9°
C16C17C18C190.0°0.2°
C17C16C15C140.6°0.0°
C17C16C15H4179.4°179.9°
C16C17C18H12180.0°180.0°
C18C17C16C150.6°0.1°
C17C18C19H12180.0°179.8°
C17C18C19C140.7°0.5°
C18C17C16H10179.4°180.0°
C17C18C19H13179.3°180.0°
C16C15C14H4180.0°180.0°
C16C15C14C190.1°0.3°
C16C15C14C13179.9°180.0°
C15C16C17H11179.4°180.0°
C18C19C14C150.7°0.5°
C18C19C14H13180.0°179.5°
C18C19C14C13179.5°179.7°
C19C18C17H11180.0°179.8°
C15C14C19C13179.7°179.7°
C15C14C13H263.6°150.0°
C15C14C13H3176.5°30.0°
C14C15C16H10179.4°180.0°
C15C14C19H13179.3°180.0°
C19C14C13H2116.1°29.8°
C19C14C13H33.8°149.7°
C19C14C15H4179.9°179.8°
C14C19C18H12179.3°179.7°
C14C13H2H3119.8°120.0°
C13C14C15H40.2°0.0°
C13C14C19H130.5°0.2°
H1C10C09H90.9°0.3°
H4C15C16H100.6°0.0°
H7C05C06H80.1°0.3°
H10C16C17H110.6°0.0°
H11C17C18H120.0°0.0°
H12C18C19H130.7°0.2°
H15C23C24H161.0°0.0°
H17C26C27H180.4°0.5°

222624

PDB entries from 2024-07-17

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