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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F7C2sing1.35Å1.35Å
C2C1sing1.39Å1.41ÅAromatic
C2C3doub1.38Å1.40ÅAromatic
C1C6doub1.38Å1.41ÅAromatic
C6C5sing1.39Å1.40ÅAromatic
C3C4sing1.38Å1.38ÅAromatic
C4C5doub1.39Å1.39ÅAromatic
C5O8sing1.36Å1.45Å
O8C9sing1.43Å1.44Å
C9C10sing1.53Å1.54Å
C10S11sing1.81Å1.79Å
S11C12sing1.76Å1.75Å
C12N13doub1.31Å1.44ÅAromatic
C12N16sing1.36Å1.43ÅAromatic
N13N14sing1.29Å1.42ÅAromatic
N14C15doub1.30Å1.44ÅAromatic
N16C17sing1.46Å1.45Å
N16C15sing1.37Å1.43ÅAromatic
C17C18sing1.51Å1.54Å
C18C19sing1.38Å1.41ÅAromatic
C18C23doub1.38Å1.41ÅAromatic
C19C20doub1.38Å1.40ÅAromatic
C20C21sing1.39Å1.40ÅAromatic
C21F24sing1.35Å1.35Å
C21C22doub1.38Å1.40ÅAromatic
C22C23sing1.38Å1.41ÅAromatic
C15C25sing1.51Å1.51Å
C25C26sing1.53Å1.50Å
C25N27sing1.46Å1.45Å
N27C28sing1.35Å1.35Å
C28O29doub1.22Å1.22Å
C28C30sing1.48Å1.50Å
C30C35sing1.40Å1.40ÅAromatic
C30C31doub1.40Å1.39ÅAromatic
C35C36sing1.51Å1.52Å
C35C34doub1.38Å1.41ÅAromatic
C36F38sing1.40Å1.33Å
C36F37sing1.40Å1.34Å
C36F39sing1.40Å1.33Å
C31C32sing1.38Å1.39ÅAromatic
C32C33doub1.38Å1.39ÅAromatic
C33C34sing1.38Å1.39ÅAromatic
C1H1sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C9H91Csing1.09Å1.10Å
C9H92Csing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C19H19sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C25H25sing1.09Å1.10Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
C26H263sing1.09Å1.10Å
N27H27sing0.97Å1.00Å
C31H31sing1.08Å1.08Å
C34H34sing1.08Å1.08Å
C32H32sing1.08Å1.08Å
C33H33sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F7C2C1118.4°120.0°
F7C2C3117.5°120.0°
C1C2C3124.0°120.1°
C2C1C6113.8°120.0°
C2C1H1123.1°120.0°
C2C3C4119.7°120.0°
C2C3H3120.2°120.0°
C1C6C5123.2°120.0°
C6C1H1123.1°120.0°
C1C6H6118.4°120.0°
C6C5C4120.3°119.9°
C6C5O8122.3°120.0°
C5C6H6118.4°120.0°
C3C4C5119.0°120.0°
C4C3H3120.2°120.0°
C3C4H4120.5°120.0°
C4C5O8117.5°120.1°
C5C4H4120.5°120.1°
C5O8C9125.5°117.0°
O8C9C10109.0°109.5°
O8C9H91C109.6°109.5°
O8C9H92C109.6°109.5°
C9C10S11112.2°109.5°
C10C9H91C109.6°109.5°
C10C9H92C109.6°109.5°
C9C10H101108.8°109.5°
C9C10H102108.8°109.5°
C10S11C12103.1°100.0°
S11C10H101108.8°109.5°
S11C10H102108.8°109.5°
S11C12N13127.5°126.4°
S11C12N16123.9°126.5°
N13C12N16108.5°107.1°
C12N13N14107.5°109.8°
C12N16C17125.5°127.1°
C12N16C15107.7°105.7°
N13N14C15108.2°110.1°
N14C15N16108.0°107.3°
N14C15C25128.8°126.4°
C17N16C15126.6°127.1°
N16C17C18103.2°109.5°
N16C17H171111.0°109.5°
N16C17H172111.0°109.5°
N16C15C25123.0°126.3°
C17C18C19121.2°120.0°
C17C18C23120.6°120.0°
C18C17H171111.0°109.5°
C18C17H172111.0°109.5°
C19C18C23118.2°120.1°
C18C19C20121.4°120.0°
C18C19H19119.3°120.0°
C18C23C22120.7°120.0°
C18C23H23119.7°120.0°
C19C20C21119.8°119.9°
C20C19H19119.3°119.9°
C19C20H20120.1°120.0°
C20C21F24120.3°120.0°
C20C21C22119.6°119.9°
C21C20H20120.1°120.0°
F24C21C22120.1°120.0°
C21C22C23120.3°120.0°
C21C22H22119.8°120.0°
C22C23H23119.7°120.0°
C23C22H22119.9°120.0°
C15C25C26112.9°109.4°
C15C25N27103.3°109.5°
C15C25H25109.6°109.5°
C26C25N27110.7°109.5°
C26C25H25109.7°109.5°
C25C26H261109.5°109.5°
C25C26H262109.5°109.5°
C25C26H263109.4°109.5°
C25N27C28125.3°120.0°
N27C25H25110.4°109.5°
C25N27H27117.4°120.0°
N27C28O29124.6°120.0°
N27C28C30117.5°120.0°
C28N27H27117.3°120.0°
O29C28C30116.9°120.0°
C28C30C35122.4°120.1°
C28C30C31117.8°120.2°
C35C30C31119.9°119.8°
C30C35C36121.6°120.1°
C30C35C34119.2°119.8°
C30C31C32120.5°119.8°
C30C31H31119.8°120.1°
C36C35C34119.2°120.1°
C35C36F38107.5°109.5°
C35C36F37111.9°109.5°
C35C36F39109.1°109.5°
C35C34C33120.6°120.2°
C35C34H34119.7°119.9°
F38C36F37108.0°109.5°
F38C36F39110.8°109.5°
F37C36F39109.5°109.5°
C31C32C33120.2°120.2°
C32C31H31119.8°120.1°
C31C32H32119.9°119.9°
C32C33C34119.6°120.3°
C33C32H32119.9°119.9°
C32C33H33120.2°119.9°
C33C34H34119.7°119.9°
C34C33H33120.2°119.9°
H91CC9H92C109.5°109.4°
H101C10H102109.5°109.4°
H171C17H172109.5°109.4°
H261C26H262109.5°109.5°
H261C26H263109.5°109.5°
H262C26H263109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F7C2C1C3178.9°179.8°
F7C2C1C6179.7°180.0°
F7C2C3C4180.0°180.0°
F7C2C1H10.3°0.0°
F7C2C3H30.0°0.1°
C2C1C6H1180.0°180.0°
C2C1C6C50.4°0.0°
C1C2C3C41.2°0.2°
C1C2C3H3178.8°179.7°
C2C1C6H6179.6°180.0°
C3C2C1C60.8°0.2°
C2C3C4H3180.0°180.0°
C2C3C4C50.9°0.0°
C3C2C1H1179.2°179.8°
C2C3C4H4179.1°180.0°
C1C6C5H6180.0°180.0°
C1C6C5C40.2°0.3°
C1C6C5O8179.0°180.0°
C6C5C4C30.5°0.3°
C6C5C4O8179.3°179.7°
C6C5O8C920.0°180.0°
C5C6C1H1179.6°180.0°
C6C5C4H4179.5°179.7°
C3C4C5H4180.0°180.0°
C3C4C5O8178.8°180.0°
C4C5O8C9160.8°0.3°
C5C4C3H3179.1°180.0°
C4C5C6H6179.8°179.7°
C5O8C9C10149.8°180.0°
O8C5C6H61.0°0.0°
O8C5C4H41.2°0.0°
C5O8C9H91C90.2°60.0°
C5O8C9H92C29.9°60.0°
O8C9C10H91C119.9°120.0°
O8C9C10H92C119.9°120.0°
O8C9C10S1152.9°180.0°
O8C9H91CH92C120.2°120.0°
O8C9C10H10167.5°60.0°
O8C9C10H102173.3°60.0°
C9C10S11H101120.4°120.0°
C9C10S11H102120.4°120.0°
C9C10S11C1264.5°180.0°
C10C9H91CH92C120.3°120.0°
C9C10H101H102118.8°120.0°
C10S11C12N13111.3°0.1°
C10S11C12N1664.9°179.7°
S11C10C9H91C172.8°60.0°
S11C10C9H92C67.1°60.0°
S11C10H101H102118.7°120.0°
S11C12N13N16176.7°179.7°
S11C12N13N14178.2°180.0°
S11C12N16C175.7°0.1°
S11C12N16C15179.1°179.9°
C12S11C10H101175.1°60.0°
C12S11C10H10255.9°60.0°
C12N13N14C150.2°0.1°
N13C12N16C17177.5°179.8°
N13C12N16C152.2°0.4°
N16C12N13N141.5°0.3°
C12N16C15N142.1°0.4°
C12N16C17C15174.3°179.8°
C12N16C17C1891.5°90.0°
C12N16C15C25177.9°179.8°
C12N16C17H17127.4°150.0°
C12N16C17H172149.5°30.1°
N13N14C15N161.2°0.2°
N13N14C15C25176.6°180.0°
N14C15N16C17177.3°179.8°
N14C15N16C25175.8°179.8°
N14C15C25C2663.5°75.0°
N14C15C25N2756.1°44.9°
N14C15C25H25173.8°165.0°
N16C17C18H171119.0°120.0°
N16C17C18H172119.0°120.0°
N16C17C18C19101.0°90.0°
N16C17C18C2377.8°90.3°
C17N16C15C256.9°0.0°
N16C17H171H172122.9°120.0°
C15N16C17C1882.8°89.8°
N16C15C25C26121.6°104.8°
N16C15C25N27118.8°135.3°
C15N16C17H171158.2°30.2°
C15N16C17H17236.2°150.1°
N16C15C25H251.1°15.2°
C17C18C19C23178.8°179.7°
C17C18C19C20179.9°180.0°
C17C18C23C22179.9°179.7°
C18C17H171H172122.9°120.0°
C17C18C19H190.1°0.0°
C17C18C23H230.1°0.0°
C18C19C20H19180.0°180.0°
C18C19C20C210.4°0.0°
C19C18C23C221.1°0.6°
C19C18C17H171140.0°30.0°
C19C18C17H17218.0°150.0°
C19C18C23H23178.9°179.7°
C18C19C20H20179.6°179.9°
C23C18C19C201.1°0.3°
C18C23C22C210.4°0.5°
C18C23C22H23180.0°179.7°
C23C18C17H17141.2°149.7°
C23C18C17H172163.2°29.7°
C23C18C19H19178.9°179.7°
C18C23C22H22179.6°179.6°
C19C20C21H20180.0°180.0°
C19C20C21F24178.7°180.0°
C19C20C21C220.3°0.0°
C20C21F24C22178.4°180.0°
C20C21C22C230.3°0.2°
C21C20C19H19179.6°180.0°
C20C21C22H22179.7°179.9°
F24C21C22C23178.7°179.7°
F24C21C20H201.3°0.0°
F24C21C22H221.3°0.1°
C21C22C23H22180.0°179.9°
C21C22C23H23179.6°179.7°
C22C21C20H20179.7°180.0°
C15C25C26N27115.2°120.0°
C15C25C26H25122.6°120.0°
C15C25N27H25117.2°120.0°
C15C25N27C2867.2°155.0°
C15C25C26H261180.0°60.0°
C15C25C26H26260.0°60.0°
C15C25C26H26360.0°180.0°
C15C25N27H27112.8°25.0°
C26C25N27H25121.7°120.0°
C26C25N27C28171.6°85.1°
C25C26H261H262120.0°120.0°
C25C26H261H263120.0°120.0°
C25C26H262H263120.0°120.0°
C26C25N27H278.3°95.0°
C25N27C28H27180.0°180.0°
C25N27C28O293.4°0.0°
C25N27C28C30171.8°180.0°
N27C25C26H26164.8°60.0°
N27C25C26H26255.2°180.0°
N27C25C26H263175.2°60.0°
N27C28O29C30168.4°180.0°
N27C28C30C35113.1°180.0°
N27C28C30C3166.6°0.3°
C28N27C25H2549.9°35.0°
O29C28C30C3577.6°0.0°
O29C28C30C31102.7°179.7°
O29C28N27H27176.6°180.0°
C28C30C35C31179.7°179.7°
C28C30C35C361.4°0.0°
C28C30C35C34179.9°179.9°
C28C30C31C32179.4°179.9°
C30C28N27H278.2°0.0°
C28C30C31H310.6°0.0°
C30C35C36C34178.7°180.0°
C30C35C36F3869.4°180.0°
C30C35C36F37172.2°60.0°
C30C35C36F3950.8°60.0°
C35C30C31C320.3°0.3°
C30C35C34C330.3°0.0°
C35C30C31H31179.7°179.7°
C30C35C34H34179.7°180.0°
C31C30C35C36178.9°179.7°
C31C30C35C340.2°0.3°
C30C31C32H31180.0°180.0°
C30C31C32C330.7°0.0°
C30C31C32H32179.3°179.9°
C35C36F38F37120.9°120.0°
C35C36F38F39119.1°120.0°
C35C36F37F39121.1°120.0°
C36C35C34C33179.0°180.0°
C36C35C34H341.0°0.1°
C34C35C36F38109.4°0.0°
C34C35C36F379.1°120.0°
C34C35C36F39130.4°120.0°
C35C34C33C320.1°0.3°
C35C34C33H34180.0°179.9°
C35C34C33H33179.9°180.0°
F38C36F37F39120.8°120.0°
C31C32C33H32180.0°179.9°
C31C32C33C340.6°0.3°
C31C32C33H33179.4°180.0°
C32C33C34H33180.0°179.7°
C33C32C31H31179.4°180.0°
C32C33C34H34179.9°179.8°
C34C33C32H32179.4°179.6°
H1C1C6H60.3°0.0°
H3C3C4H40.9°0.0°
H91CC9C10H10152.4°180.0°
H91CC9C10H10266.8°60.0°
H92CC9C10H101172.6°60.0°
H92CC9C10H10253.4°180.0°
H19C19C20H200.4°0.1°
H23C23C22H220.4°0.1°
H25C25C26H26157.4°180.0°
H25C25C26H262177.4°60.0°
H25C25C26H26362.6°60.0°
H25C25N27H27130.1°145.0°
H261C26H262H263120.0°120.0°
H31C31C32H320.6°0.0°
H34C34C33H330.1°0.1°
H32C32C33H330.6°0.0°

248636

PDB entries from 2026-02-04

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