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UA7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C07C06doub1.38Å1.40ÅAromatic
C07C08sing1.38Å1.41ÅAromatic
C06C05sing1.38Å1.38ÅAromatic
C08C09doub1.39Å1.42ÅAromatic
C05C04doub1.39Å1.39ÅAromatic
C09C04sing1.38Å1.42ÅAromatic
C09C10sing1.51Å1.57Å
C04C03sing1.51Å1.53Å
O22C12sing1.35Å1.42Å
C03C02sing1.53Å1.50Å
C10C11sing1.51Å1.55Å
C10C01sing1.53Å1.54Å
C12C11doub1.37Å1.45Å
C12C13sing1.47Å1.51Å
C02C01sing1.53Å1.54Å
C02C23sing1.51Å1.52Å
C11C20sing1.40Å1.53Å
C14C13doub1.40Å1.40ÅAromatic
C14C15sing1.38Å1.40ÅAromatic
C13C18sing1.40Å1.41ÅAromatic
O21C20doub1.22Å1.16Å
C20O19sing1.34Å1.44Å
C28C23doub1.38Å1.40ÅAromatic
C28C27sing1.38Å1.39ÅAromatic
C15C16doub1.39Å1.42ÅAromatic
C18O19sing1.35Å1.49Å
C18C17doub1.39Å1.42ÅAromatic
C23C24sing1.38Å1.37ÅAromatic
C16C17sing1.38Å1.40ÅAromatic
C27C26doub1.39Å1.39ÅAromatic
C24C25doub1.38Å1.38ÅAromatic
C26C25sing1.39Å1.39ÅAromatic
C26C29sing1.48Å1.53Å
C30C29doub1.39Å1.39ÅAromatic
C30C31sing1.38Å1.38ÅAromatic
C29C34sing1.39Å1.38ÅAromatic
C31C32doub1.38Å1.39ÅAromatic
C34C33doub1.38Å1.39ÅAromatic
C32C33sing1.38Å1.39ÅAromatic
C32BR3sing1.89Å1.94Å
C01H012sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C02H021sing1.09Å1.10Å
C03H032sing1.09Å1.10Å
C03H031sing1.09Å1.10Å
C05H051sing1.08Å1.08Å
C06H061sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C08H081sing1.08Å1.08Å
C10H101sing1.09Å1.10Å
C14H141sing1.08Å1.08Å
C15H151sing1.08Å1.08Å
C16H161sing1.08Å1.08Å
C17H171sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C25H251sing1.08Å1.08Å
C27H271sing1.08Å1.08Å
C28H281sing1.08Å1.08Å
C30H301sing1.08Å1.08Å
C31H311sing1.08Å1.08Å
C33H331sing1.08Å1.08Å
C34H341sing1.08Å1.08Å
O22H221sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C06C07C08122.2°119.8°
C07C06C05116.7°119.7°
C07C06H061121.6°120.2°
C06C07H071118.9°120.1°
C07C08C09120.9°120.6°
C08C07H071118.9°120.1°
C07C08H081119.6°119.7°
C06C05C04122.5°120.5°
C06C05H051118.8°119.7°
C05C06H061121.6°120.1°
C08C09C04115.4°119.7°
C08C09C10123.2°117.7°
C09C08H081119.5°119.8°
C05C04C09122.3°119.7°
C05C04C03115.3°117.7°
C04C05H051118.7°119.7°
C04C09C10121.3°122.6°
C09C04C03122.4°122.6°
C09C10C11119.4°109.3°
C09C10C01109.5°110.6°
C09C10H101109.0°109.3°
C04C03C02108.7°110.6°
C04C03H032109.7°109.2°
C04C03H031109.6°109.3°
O22C12C11121.8°121.0°
O22C12C13113.1°121.0°
C12O22H221109.5°114.0°
C03C02C01107.8°108.4°
C03C02C23112.9°109.7°
C03C02H021108.0°109.8°
C02C03H032109.6°109.3°
C02C03H031109.7°109.2°
C11C10C01100.0°109.3°
C10C11C12115.8°120.1°
C10C11C20121.6°120.2°
C11C10H101109.2°109.3°
C10C01C02108.7°108.4°
C10C01H012109.7°109.7°
C10C01H011109.7°109.7°
C01C10H101109.3°109.2°
C11C12C13119.8°118.0°
C12C11C20114.6°119.7°
C12C13C14118.7°121.1°
C12C13C18119.5°118.9°
C01C02C23112.4°109.7°
C02C01H012109.7°109.7°
C02C01H011109.7°109.6°
C01C02H021107.6°109.6°
C02C23C28121.0°119.9°
C02C23C24117.9°119.9°
C23C02H021107.9°109.6°
C11C20O21119.9°119.1°
C11C20O19118.7°121.9°
C13C14C15119.7°119.6°
C14C13C18121.8°120.0°
C13C14H141120.2°120.2°
C14C15C16119.5°120.4°
C15C14H141120.2°120.2°
C14C15H151120.2°119.8°
C13C18O19118.7°119.9°
C13C18C17118.6°119.4°
O21C20O19121.4°119.1°
C20O19C18121.7°121.7°
C23C28C27119.1°120.1°
C28C23C24121.1°120.2°
C23C28H281120.5°119.9°
C28C27C26119.7°119.9°
C28C27H271120.2°120.1°
C27C28H281120.5°120.0°
C15C16C17120.6°120.6°
C16C15H151120.3°119.8°
C15C16H161119.7°119.7°
O19C18C17122.7°120.7°
C18C17C16119.9°120.0°
C18C17H171120.1°120.0°
C23C24C25119.8°120.1°
C23C24H241120.1°119.9°
C17C16H161119.7°119.6°
C16C17H171120.1°120.1°
C27C26C25120.3°119.7°
C27C26C29119.1°120.2°
C26C27H271120.2°120.0°
C24C25C26120.1°119.9°
C25C24H241120.1°119.9°
C24C25H251120.0°120.1°
C25C26C29120.7°120.1°
C26C25H251120.0°120.0°
C26C29C30118.7°120.2°
C26C29C34121.4°120.1°
C29C30C31120.3°119.9°
C30C29C34119.8°119.8°
C29C30H301119.8°120.0°
C30C31C32119.9°120.1°
C31C30H301119.8°120.1°
C30C31H311120.1°120.0°
C29C34C33119.9°119.9°
C29C34H341120.1°120.1°
C31C32C33120.0°120.2°
C31C32BR3119.1°119.9°
C32C31H311120.1°119.9°
C34C33C32120.1°120.1°
C34C33H331119.9°120.0°
C33C34H341120.0°120.1°
C33C32BR3120.9°119.9°
C32C33H331119.9°119.9°
H012C01H011109.4°109.7°
H032C03H031109.5°109.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C06C07C08H071180.0°179.9°
C07C06C05H061180.0°180.0°
C06C07C08C091.0°0.1°
C07C06C05C040.4°0.0°
C07C06C05H051179.6°180.0°
C06C07C08H081179.0°180.0°
C08C07C06C050.1°0.1°
C07C08C09H081180.0°179.9°
C07C08C09C041.7°0.3°
C07C08C09C10176.9°179.4°
C08C07C06H061179.9°179.9°
C06C05C04H051180.0°180.0°
C06C05C04C090.4°0.2°
C06C05C04C03178.5°179.8°
C05C06C07H071179.9°179.8°
C08C09C04C051.4°0.3°
C08C09C04C10175.3°179.7°
C08C09C04C03179.4°179.6°
C08C09C10C1151.7°42.3°
C08C09C10C01165.9°162.6°
C09C08C07H071179.0°180.0°
C08C09C10H10174.6°77.2°
C05C04C09C03178.0°180.0°
C05C04C09C10176.7°179.3°
C05C04C03C02158.5°162.2°
C05C04C03H03238.7°77.5°
C05C04C03H03181.5°42.0°
C04C05C06H061179.6°180.0°
C09C04C03C0219.6°17.8°
C04C09C10C11123.3°138.0°
C04C09C10C019.0°17.7°
C09C04C03H032139.4°102.5°
C09C04C03H031100.3°138.0°
C09C04C05H051179.6°179.8°
C04C09C08H081178.3°179.8°
C04C09C10H101110.5°102.5°
C10C09C04C035.3°0.7°
C09C10C11C01119.2°121.1°
C09C10C11H101126.2°119.5°
C09C10C01H101119.3°120.2°
C09C10C11C1298.5°120.3°
C09C10C01C0247.0°51.1°
C09C10C11C2048.5°59.9°
C09C10C01H01272.9°170.8°
C09C10C01H011166.9°68.7°
C10C09C08H0813.1°0.5°
C04C03C02H032119.9°120.3°
C04C03C02H031119.9°120.3°
C04C03C02C0158.0°51.1°
C04C03C02C23177.2°170.8°
C04C03C02H02158.0°68.6°
C04C03H032H031120.3°119.5°
C03C04C05H0511.5°0.2°
O22C12C11C1026.6°0.0°
O22C12C11C13152.6°180.0°
O22C12C11C20175.9°179.8°
O22C12C13C143.5°0.0°
O22C12C13C18175.3°180.0°
C03C02C01C1075.3°69.9°
C03C02C01C23125.1°119.7°
C03C02C01H021116.3°119.8°
C03C02C23H021119.3°120.6°
C03C02C23C2895.5°58.7°
C03C02C23C2485.5°121.1°
C03C02C01H01244.6°170.4°
C03C02C01H011164.8°49.9°
C02C03H032H031120.4°119.4°
C11C10C01H101114.5°119.5°
C10C11C12C20149.3°179.8°
C10C11C12C13179.1°180.0°
C11C10C01C02173.2°171.4°
C10C11C20O219.7°0.0°
C10C11C20O19169.9°179.7°
C11C10C01H01253.3°68.9°
C11C10C01H01166.9°51.7°
C01C10C11C12142.3°118.6°
C10C01C02H012119.9°119.8°
C10C01C02H011119.9°119.7°
C10C01C02C23159.6°170.4°
C01C10C11C2070.7°61.1°
C10C01H012H011120.4°120.6°
C10C01C02H02141.0°50.0°
C11C12C13C14158.3°180.0°
C11C12C13C1820.5°0.0°
C12C11C20O21157.1°179.8°
C12C11C20O1922.5°0.5°
C12C11C10H10127.7°0.8°
C11C12O22H221180.0°180.0°
C13C12C11C2031.5°0.2°
C12C13C14C18178.7°179.9°
C12C13C14C15179.3°180.0°
C12C13C18O191.2°0.0°
C12C13C18C17179.5°180.0°
C12C13C14H1410.7°0.0°
C13C12O22H22125.7°0.0°
C01C02C23H021118.5°120.5°
C01C02C23C28142.2°60.3°
C01C02C23C2436.8°120.0°
C02C01H012H011120.4°120.5°
C01C02C03H032177.9°69.2°
C01C02C03H03161.8°171.4°
C02C01C10H10172.3°69.2°
C02C23C28C24179.0°179.8°
C02C23C28C27179.3°179.8°
C02C23C24C25179.4°180.0°
C23C02C01H01280.5°50.6°
C23C02C01H01139.7°69.8°
C23C02C03H03257.3°50.5°
C23C02C03H03163.0°68.9°
C02C23C24H2410.6°0.1°
C02C23C28H2810.7°0.0°
C11C20O21O19179.5°179.7°
C11C20O19C182.3°0.6°
C20C11C10H101174.7°179.4°
C13C14C15H141180.0°180.0°
C13C14C15C160.4°0.0°
C14C13C18O19179.9°179.9°
C14C13C18C170.8°0.0°
C13C14C15H151179.6°180.0°
C15C14C13C180.6°0.0°
C14C15C16H151180.0°180.0°
C14C15C16C170.4°0.0°
C14C15C16H161179.6°180.0°
C13C18O19C209.9°0.3°
C13C18O19C17179.3°179.9°
C13C18C17C160.7°0.0°
C18C13C14H141179.4°180.0°
C13C18C17H171179.2°180.0°
O21C20O19C18177.3°179.7°
C20O19C18C17170.7°179.7°
C23C28C27H281180.0°179.8°
C23C28C27C260.1°0.5°
C28C23C24C250.4°0.2°
C28C23C02H02123.8°179.3°
C28C23C24H241179.6°179.8°
C23C28C27H271179.9°179.7°
C27C28C23C240.3°0.4°
C28C27C26H271180.0°179.8°
C28C27C26C250.1°0.3°
C28C27C26C29179.3°179.8°
C15C16C17C180.6°0.0°
C15C16C17H161180.0°179.9°
C16C15C14H141179.6°180.0°
C15C16C17H171179.4°180.0°
O19C18C17C16179.9°179.9°
O19C18C17H1710.1°0.0°
C18C17C16H171180.0°180.0°
C18C17C16H161179.4°180.0°
C23C24C25H241180.0°180.0°
C23C24C25C260.2°0.0°
C24C23C02H021155.2°0.5°
C23C24C25H251179.8°180.0°
C24C23C28H281179.7°179.8°
C17C16C15H151179.6°180.0°
C27C26C25C240.0°0.0°
C27C26C25C29179.2°179.9°
C27C26C29C3023.0°179.8°
C27C26C29C34159.0°0.0°
C27C26C25H251180.0°180.0°
C26C27C28H281179.9°179.7°
C24C25C26H251180.0°180.0°
C24C25C26C29179.2°180.0°
C25C26C29C30156.2°0.2°
C25C26C29C3421.8°179.9°
C26C25C24H241179.8°180.0°
C25C26C27H271179.9°179.9°
C26C29C30C34178.0°179.8°
C26C29C30C31179.4°180.0°
C26C29C34C33179.3°179.7°
C29C26C25H2510.7°0.0°
C29C26C27H2710.7°0.0°
C26C29C30H3010.6°0.1°
C26C29C34H3410.8°0.0°
C29C30C31H301180.0°179.9°
C29C30C31C320.8°0.1°
C30C29C34C331.3°0.5°
C29C30C31H311179.2°180.0°
C30C29C34H341178.7°179.8°
C31C30C29C341.4°0.1°
C30C31C32H311180.0°179.9°
C30C31C32C330.1°0.0°
C30C31C32BR3180.0°180.0°
C29C34C33H341180.0°179.7°
C29C34C33C320.7°0.6°
C34C29C30H301178.6°179.7°
C29C34C33H331179.4°179.8°
C31C32C33C340.1°0.3°
C31C32C33BR3179.9°180.0°
C32C31C30H301179.2°180.0°
C31C32C33H331180.0°179.9°
C34C33C32H331180.0°179.6°
C34C33C32BR3179.9°179.7°
C33C32C31H311179.9°180.0°
C32C33C34H341179.4°179.7°
BR3C32C31H3110.0°0.0°
BR3C32C33H3310.1°0.1°
H012C01C02H021160.9°69.8°
H012C01C10H101167.8°50.6°
H011C01C02H02178.9°169.7°
H011C01C10H10147.6°171.1°
H021C02C03H03261.9°171.1°
H021C02C03H031177.8°51.6°
H051C05C06H0610.4°0.0°
H061C06C07H0710.1°0.2°
H071C07C08H0811.0°0.1°
H141C14C15H1510.4°0.1°
H151C15C16H1610.4°0.0°
H161C16C17H1710.6°0.1°
H241C24C25H2510.2°0.0°
H271C27C28H2810.1°0.1°
H301C30C31H3110.8°0.1°
H331C33C34H3410.6°0.1°

224931

PDB entries from 2024-09-11

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