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443

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S5C4sing1.81Å1.81Å
C4C2sing1.53Å1.53Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
S5C8sing1.76Å1.75Å
C18C8doub1.36Å1.36ÅAromatic
C8C9sing1.39Å1.40ÅAromatic
C9C10doub1.36Å1.36ÅAromatic
C11C10sing1.41Å1.41ÅAromatic
C10H10sing1.08Å1.08Å
C15C13doub1.39Å1.41ÅAromatic
C13C12sing1.36Å1.37ÅAromatic
C13CL14sing1.74Å1.74Å
C16C15sing1.36Å1.37ÅAromatic
C15H15sing1.08Å1.08Å
C18C17sing1.41Å1.40ÅAromatic
C16C17doub1.41Å1.41ÅAromatic
C17C11sing1.42Å1.42ÅAromatic
N21C22sing1.47Å1.48Å
C22C23sing1.53Å1.55Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C23C24sing1.53Å1.54Å
C25C24sing1.53Å1.53Å
C24N27sing1.46Å1.48Å
C24H24sing1.09Å1.10Å
N21C26sing1.47Å1.48Å
C26C25sing1.53Å1.53Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
N27C28sing1.46Å1.48Å
C28C29sing1.53Å1.53Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C2O1sing1.43Å1.44Å
O1HO1sing0.97Å0.95Å
C2C19sing1.51Å1.51Å
C2H2sing1.09Å1.10Å
O7S5doub1.42Å1.42Å
S5O6doub1.42Å1.43Å
C9H9sing1.08Å1.08Å
C11C12doub1.40Å1.40ÅAromatic
C12H12sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
O20C19doub1.21Å1.22Å
C19N21sing1.35Å1.35Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
N27C32sing1.34Å1.35Å
C29C30sing1.53Å1.53Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
N31C30sing1.46Å1.46Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
C32N31sing1.34Å1.35Å
N31HN31sing0.97Å1.00Å
O33C32doub1.22Å1.21Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
S5C4C2112.7°109.5°
S5C4H4108.4°109.5°
S5C4H4A108.4°109.5°
C4S5C8104.4°104.5°
C4S5O7107.3°110.6°
C4S5O6110.5°110.6°
C2C4H4108.4°109.5°
C2C4H4A108.4°109.4°
C4C2O1110.3°109.5°
C4C2C19107.7°109.5°
C4C2H2109.7°109.4°
H4C4H4A110.5°109.4°
S5C8C18118.1°119.5°
S5C8C9120.5°119.5°
C8S5O7106.3°104.2°
C8S5O6105.9°104.2°
C18C8C9121.4°121.0°
C8C18C17119.2°119.6°
C8C18H18120.4°120.2°
C8C9C10120.8°121.0°
C8C9H9119.6°119.5°
C9C10C11119.8°119.7°
C9C10H10120.1°120.2°
C10C9H9119.6°119.5°
C11C10H10120.1°120.1°
C10C11C17119.4°119.4°
C10C11C12121.1°121.3°
C15C13C12119.8°121.0°
C15C13CL14120.7°119.5°
C13C15C16121.2°120.9°
C13C15H15119.4°119.5°
C12C13CL14119.5°119.5°
C13C12C11120.6°119.6°
C13C12H12119.7°120.1°
C16C15H15119.4°119.6°
C15C16C17119.8°119.7°
C15C16H16120.1°120.2°
C18C17C16121.5°121.3°
C18C17C11119.5°119.4°
C17C18H18120.4°120.2°
C16C17C11119.0°119.4°
C17C16H16120.1°120.2°
C17C11C12119.5°119.4°
N21C22C23108.1°108.7°
N21C22H22109.9°109.6°
N21C22H22A109.9°109.6°
C22N21C26118.1°118.7°
C22N21C19121.1°120.6°
C23C22H22109.9°109.6°
C23C22H22A109.9°109.6°
C22C23C24108.0°109.4°
C22C23H23110.0°109.5°
C22C23H23A110.0°109.5°
H22C22H22A109.0°109.7°
C23C24C25109.4°109.5°
C23C24N27114.5°109.5°
C23C24H24105.6°109.5°
C24C23H23110.0°109.5°
C24C23H23A110.0°109.5°
C25C24N27108.3°109.4°
C25C24H24112.2°109.5°
C24C25C26109.6°109.3°
C24C25H25109.4°109.5°
C24C25H25A109.4°109.5°
N27C24H24106.8°109.4°
C24N27C28119.8°119.3°
C24N27C32120.3°119.4°
N21C26C25111.1°108.8°
N21C26H26108.9°109.7°
N21C26H26A109.0°109.6°
C26N21C19120.8°120.7°
C25C26H26108.9°109.6°
C25C26H26A108.9°109.5°
C26C25H25109.4°109.6°
C26C25H25A109.4°109.5°
H26C26H26A110.0°109.5°
N27C28C29111.8°109.1°
N27C28H28108.7°109.5°
N27C28H28A108.7°109.6°
C28N27C32119.8°121.3°
C29C28H28108.7°109.6°
C29C28H28A108.7°109.5°
C28C29C30110.1°108.6°
C28C29H29109.3°109.7°
C28C29H29A109.3°109.6°
H28C28H28A110.2°109.5°
C2O1HO1109.5°114.0°
O1C2C19108.3°109.5°
O1C2H2109.1°109.5°
C19C2H2111.7°109.5°
C2C19O20119.4°120.1°
C2C19N21120.1°120.0°
O7S5O6121.2°121.0°
C11C12H12119.7°120.2°
O20C19N21120.4°120.0°
H23C23H23A108.9°109.5°
H25C25H25A109.5°109.6°
N27C32N31123.0°122.6°
N27C32O33118.9°118.6°
C30C29H29109.3°109.6°
C30C29H29A109.3°109.6°
C29C30N31110.1°109.1°
C29C30H30109.2°109.6°
C29C30H30A109.3°109.5°
H29C29H29A109.7°109.8°
N31C30H30109.2°109.5°
N31C30H30A109.2°109.5°
C30N31C32122.8°121.3°
C30N31HN31118.6°119.3°
H30C30H30A109.7°109.6°
C32N31HN31118.6°119.4°
N31C32O33118.1°118.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S5C4C2H4120.0°120.1°
S5C4C2H4A120.0°120.0°
S5C4H4H4A118.7°120.0°
C4S5C8O7113.2°116.1°
C4S5C8O6116.6°116.1°
C4S5C8C1872.7°90.3°
C4S5C8C9106.7°90.0°
S5C4C2O171.2°65.0°
S5C4C2C19170.8°175.0°
S5C4C2H249.1°55.0°
C4S5O7O6128.0°131.6°
C2C4H4H4A118.7°119.9°
C2C4S5C876.0°180.0°
C4C2O1C19117.7°120.0°
C4C2O1H2120.5°120.0°
C4C2O1HO1180.0°60.0°
C4C2C19H2120.5°120.0°
C2C4S5O7171.5°68.4°
C2C4S5O637.4°68.4°
C4C2C19O203.9°115.0°
C4C2C19N21177.4°65.1°
H4C4S5C844.0°60.0°
H4C4C2O148.8°174.9°
H4C4C2C1969.2°55.0°
H4C4C2H2169.0°65.1°
H4C4S5O768.6°51.6°
H4C4S5O6157.4°171.6°
H4AC4S5C8164.0°60.0°
H4AC4C2O1168.8°55.0°
H4AC4C2C1950.8°64.9°
H4AC4C2H270.9°175.0°
H4AC4S5O751.5°171.6°
H4AC4S5O682.6°51.6°
S5C8C18C9179.4°179.7°
S5C8C9C10178.9°180.0°
S5C8C18C17178.7°179.7°
C8S5O7O6120.7°116.7°
S5C8C9H91.1°0.0°
S5C8C18H181.3°0.3°
C18C8C9C100.5°0.3°
C8C18C17H18180.0°179.9°
C8C18C17C16179.7°179.7°
C8C18C17C110.6°0.5°
C18C8S5O740.5°25.8°
C18C8S5O6170.6°153.6°
C18C8C9H9179.5°179.7°
C8C9C10H9180.0°180.0°
C8C9C10C110.1°0.0°
C8C9C10H10179.9°180.0°
C9C8C18C170.8°0.0°
C9C8S5O7140.1°153.9°
C9C8S5O610.0°26.1°
C9C8C18H18179.2°180.0°
C9C10C11H10180.0°180.0°
C9C10C11C170.0°0.5°
C9C10C11C12179.7°179.5°
C10C11C12C13179.5°180.0°
C10C11C17C180.2°0.8°
C10C11C17C16179.9°180.0°
C10C11C17C12179.7°180.0°
C11C10C9H9179.9°180.0°
C10C11C12H120.5°0.1°
H10C10C11C17180.0°179.5°
H10C10C9H90.1°0.1°
H10C10C11C120.3°0.6°
C15C13C12CL14179.8°180.0°
C13C15C16H15180.0°180.0°
C13C15C16C170.2°0.0°
C15C13C12C110.9°0.0°
C15C13C12H12179.2°180.0°
C13C15C16H16179.8°180.0°
C12C13C15C160.9°0.0°
C12C13C15H15179.2°180.0°
C13C12C11C170.2°0.0°
C13C12C11H12180.0°180.0°
CL14C13C15C16179.3°180.0°
CL14C13C15H150.7°0.0°
CL14C13C12C11179.3°180.0°
CL14C13C12H120.7°0.0°
C15C16C17C18179.9°179.2°
C15C16C17H16180.0°180.0°
C15C16C17C110.4°0.0°
H15C15C16C17179.8°180.0°
H15C15C16H160.2°0.0°
C18C17C16C11179.6°179.2°
C18C17C11C12179.9°179.2°
C18C17C16H160.1°0.8°
C16C17C11C120.4°0.0°
C16C17C18H180.2°0.2°
C17C11C12H12179.8°180.0°
C11C17C16H16179.6°180.0°
C11C17C18H18179.4°179.5°
N21C22C23H22120.0°119.8°
N21C22C23H22A120.0°119.8°
N21C22H22H22A120.5°120.4°
N21C22C23C2458.3°54.6°
C22N21C26C19178.8°179.9°
C22N21C26C2550.6°53.7°
C22N21C26H2669.4°66.2°
C22N21C26H26A170.6°173.5°
C22N21C19C2178.6°180.0°
C22N21C19O200.0°0.1°
N21C22C23H2361.7°65.3°
N21C22C23H23A178.3°174.6°
C23C22H22H22A120.6°120.3°
C22C23C24H23120.0°119.9°
C22C23C24H23A120.0°119.9°
C22C23C24C2564.1°61.4°
C22C23C24N27174.1°178.6°
C22C23C24H2456.8°58.6°
C23C22N21C2654.0°53.6°
C23C22N21C19127.2°126.5°
C22C23H23H23A120.6°120.0°
H22C22C23C24178.3°174.4°
H22C22N21C26173.9°173.4°
H22C22N21C197.3°6.7°
H22C22C23H2358.3°54.4°
H22C22C23H23A61.7°65.7°
H22AC22C23C2461.7°65.2°
H22AC22N21C2666.1°66.2°
H22AC22N21C19112.7°113.7°
H22AC22C23H23178.3°174.8°
H22AC22C23H23A58.3°54.7°
C23C24C25N27125.5°120.0°
C23C24C25H24116.9°120.1°
C23C24N27H24116.6°120.0°
C23C24C25C2660.1°61.4°
C23C24N27C2878.2°120.0°
C24C23H23H23A120.6°120.1°
C23C24C25H2559.9°58.6°
C23C24C25H25A179.9°178.7°
C23C24N27C32103.9°60.0°
C25C24N27H24121.0°119.9°
C24C25C26N2151.0°54.7°
C24C25C26H25120.0°120.0°
C24C25C26H25A120.0°119.9°
C24C25C26H2669.0°65.2°
C24C25C26H26A171.0°174.5°
C25C24N27C2844.2°120.0°
C25C24C23H2355.9°58.5°
C25C24C23H23A175.9°178.7°
C24C25H25H25A120.0°120.1°
C25C24N27C32133.7°60.0°
N27C24C25C26174.5°178.6°
C24N27C28C32177.8°180.0°
C24N27C28C29154.7°150.9°
C24N27C28H2885.4°31.0°
C24N27C28H28A34.7°89.1°
N27C24C23H2365.9°61.4°
N27C24C23H23A54.1°58.7°
N27C24C25H2565.6°61.4°
N27C24C25H25A54.5°58.7°
C24N27C32N31178.9°179.4°
C24N27C32O331.3°0.6°
H24C24C25C2656.8°58.7°
H24C24N27C28165.2°0.0°
H24C24C23H23176.8°178.6°
H24C24C23H23A63.2°61.3°
H24C24C25H25176.8°178.7°
H24C24C25H25A63.2°61.2°
H24C24N27C3212.6°180.0°
N21C26C25H26120.0°119.9°
N21C26C25H26A120.0°119.8°
N21C26H26H26A119.4°120.4°
C26N21C19C22.7°0.1°
C26N21C19O20178.7°180.0°
N21C26C25H2569.0°65.2°
N21C26C25H25A171.0°174.6°
C25C26H26H26A119.3°120.2°
C25C26N21C19130.6°126.4°
C26C25H25H25A119.9°120.1°
H26C26N21C19109.4°113.7°
H26C26C25H25171.0°174.8°
H26C26C25H25A51.0°54.7°
H26AC26N21C1910.6°6.6°
H26AC26C25H2551.0°54.6°
H26AC26C25H25A69.0°65.6°
N27C28C29H28120.0°119.9°
N27C28C29H28A120.0°120.0°
N27C28H28H28A119.1°120.2°
N27C28C29C3051.1°55.5°
N27C28C29H29171.2°64.3°
N27C28C29H29A68.8°175.2°
C28N27C32N311.1°0.6°
C28N27C32O33179.1°179.4°
C29C28H28H28A119.0°120.2°
C29C28N27C3227.5°29.1°
C28C29C30H29120.0°119.8°
C28C29C30H29A120.0°119.6°
C28C29H29H29A119.7°120.4°
C28C29C30N3149.4°55.5°
C28C29C30H3070.6°175.4°
C28C29C30H30A169.4°64.4°
H28C28N27C3292.5°149.0°
H28C28C29C3068.9°175.4°
H28C28C29H2951.1°55.6°
H28C28C29H29A171.1°64.9°
H28AC28N27C32147.5°90.9°
H28AC28C29C30171.1°64.4°
H28AC28C29H2968.8°175.8°
H28AC28C29H29A51.2°55.2°
O1C2C19H2120.2°120.0°
O1C2C19O20115.4°4.9°
O1C2C19N2163.2°175.0°
HO1O1C2C1962.3°60.0°
HO1O1C2H259.5°180.0°
C2C19O20N21178.6°179.9°
H2C2C19O20124.4°125.0°
H2C2C19N2157.0°54.9°
N27C32N31C300.2°0.5°
N27C32N31O33179.8°179.9°
N27C32N31HN31179.8°179.4°
C30C29H29H29A119.8°120.5°
C29C30N31H30120.0°119.9°
C29C30N31H30A120.0°119.9°
C29C30H30H30A119.8°120.2°
C29C30N31C3225.4°29.0°
C29C30N31HN31154.5°150.9°
H29C29C30N31169.4°64.3°
H29C29C30H3049.4°55.6°
H29C29C30H30A70.6°175.8°
H29AC29C30N3170.6°175.1°
H29AC29C30H30169.4°64.9°
H29AC29C30H30A49.4°55.3°
N31C30H30H30A119.7°120.2°
C30N31C32HN31180.0°180.0°
C30N31C32O33180.0°179.4°
H30C30N31C3294.5°149.0°
H30C30N31HN3185.5°31.0°
H30AC30N31C32145.5°90.9°
H30AC30N31HN3134.5°89.2°
HN31N31C32O330.0°0.6°

222415

PDB entries from 2024-07-10

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