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SummaryGeometryRelated PDB entries

RQ8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C01C02sing1.53Å1.52Å
F25C02sing1.40Å1.37Å
C02F03sing1.40Å1.37Å
C02C04sing1.51Å1.53Å
C04C24doub1.38Å1.39ÅAromatic
C04C05sing1.38Å1.38ÅAromatic
C24N23sing1.32Å1.32ÅAromatic
C05C06doub1.40Å1.38ÅAromatic
N23C22doub1.32Å1.32ÅAromatic
C06C22sing1.40Å1.38ÅAromatic
C06C07sing1.48Å1.52Å
O21C07doub1.22Å1.18Å
C07N08sing1.35Å1.45Å
N08C09sing1.47Å1.45Å
C20N19doub1.32Å1.32ÅAromatic
C20C14sing1.38Å1.38ÅAromatic
N19C18sing1.32Å1.31ÅAromatic
C13C09sing1.53Å1.52Å
C13C14sing1.51Å1.52Å
C09C10sing1.51Å1.53Å
C14C15doub1.39Å1.38ÅAromatic
C18C16doub1.38Å1.37ÅAromatic
C10O12doub1.21Å1.26Å
C10O11sing1.34Å1.26Å
C15C16sing1.39Å1.38ÅAromatic
C16BR17sing1.89Å1.91Å
C18H181sing1.08Å1.08Å
C15H151sing1.08Å1.08Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C20H201sing1.08Å1.08Å
C01H011sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C05H051sing1.08Å1.08Å
C09H091sing1.09Å1.10Å
C22H221sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
N08H081sing0.97Å1.00Å
O11H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C01C02F25108.8°109.5°
C01C02F03109.9°109.5°
C01C02C04110.3°109.5°
C02C01H011109.5°109.4°
C02C01H013109.4°109.5°
C02C01H012109.4°109.5°
F25C02F03108.6°109.4°
F25C02C04109.7°109.4°
F03C02C04109.5°109.4°
C02C04C24121.6°120.4°
C02C04C05118.8°120.3°
C24C04C05119.6°119.3°
C04C24N23120.2°121.1°
C04C24H241119.9°119.4°
C04C05C06118.0°118.3°
C04C05H051121.0°120.9°
C24N23C22122.4°121.9°
N23C24H241119.9°119.5°
C05C06C22120.2°118.9°
C05C06C07117.7°120.6°
C06C05H051121.0°120.8°
N23C22C06119.7°120.5°
N23C22H221120.2°119.7°
C22C06C07121.9°120.5°
C06C22H221120.2°119.8°
C06C07O21120.9°120.0°
C06C07N08117.4°120.0°
O21C07N08121.4°120.0°
C07N08C09122.8°120.0°
C07N08H081118.6°120.0°
N08C09C13117.8°109.5°
N08C09C10106.7°109.5°
N08C09H091108.3°109.4°
C09N08H081118.6°119.9°
N19C20C14122.6°120.8°
C20N19C18119.4°121.7°
N19C20H201118.7°119.6°
C20C14C13119.4°120.4°
C20C14C15119.8°119.2°
C14C20H201118.7°119.6°
N19C18C16120.8°120.7°
N19C18H181119.6°119.6°
C09C13C14115.7°109.4°
C13C09C10108.9°109.5°
C09C13H131107.9°109.5°
C09C13H132107.9°109.5°
C13C09H091107.4°109.5°
C13C14C15120.9°120.4°
C14C13H131107.9°109.5°
C14C13H132107.9°109.5°
C09C10O12119.6°120.0°
C09C10O11120.0°120.0°
C10C09H091107.3°109.5°
C14C15C16115.5°118.4°
C14C15H151122.3°120.8°
C18C16C15121.9°119.2°
C18C16BR17116.0°120.4°
C16C18H181119.6°119.7°
O12C10O11120.4°120.0°
C10O11H1109.5°117.0°
C15C16BR17122.0°120.5°
C16C15H151122.2°120.8°
H131C13H132109.5°109.5°
H011C01H013109.5°109.4°
H011C01H012109.5°109.5°
H013C01H012109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C01C02F25F03119.6°120.0°
C01C02F25C04120.7°120.0°
C01C02F03C04121.3°120.0°
C01C02C04C2468.0°90.0°
C01C02C04C05112.5°89.7°
C02C01H011H013120.0°119.9°
C02C01H011H012120.0°120.0°
C02C01H013H012120.0°120.1°
F25C02F03C04119.7°119.9°
F25C02C04C24172.2°150.0°
F25C02C04C057.2°30.3°
F25C02C01H011180.0°180.0°
F25C02C01H01360.0°60.0°
F25C02C01H01260.0°60.0°
F03C02C04C2453.1°30.0°
F03C02C04C05126.4°150.2°
F03C02C01H01161.1°60.0°
F03C02C01H013178.8°180.0°
F03C02C01H01258.9°60.0°
C02C04C24C05179.4°179.7°
C02C04C24N23179.2°179.7°
C02C04C05C06179.1°180.0°
C04C02C01H01159.7°60.0°
C04C02C01H01360.3°60.0°
C04C02C01H012179.7°180.0°
C02C04C05H0510.9°0.0°
C02C04C24H2410.8°0.0°
C04C24N23H241180.0°179.7°
C24C04C05C061.4°0.3°
C04C24N23C220.3°0.6°
C24C04C05H051178.6°179.8°
C05C04C24N230.2°0.6°
C04C05C06H051180.0°180.0°
C04C05C06C222.9°0.0°
C04C05C06C07178.0°180.0°
C05C04C24H241179.8°179.7°
C24N23C22C061.3°0.3°
C24N23C22H221178.7°179.7°
C05C06C22N232.9°0.0°
C05C06C22C07174.8°180.0°
C05C06C07O2119.6°0.0°
C05C06C07N08155.2°179.9°
C05C06C22H221177.1°180.0°
N23C22C06H221180.0°180.0°
N23C22C06C07177.7°180.0°
C22N23C24H241179.7°179.7°
C22C06C07O21165.4°179.9°
C22C06C07N0819.7°0.0°
C22C06C05H051177.1°180.0°
C06C07O21N08174.6°179.9°
C06C07N08C09174.6°180.0°
C07C06C05H0512.0°0.1°
C07C06C22H2212.2°0.0°
C06C07N08H0815.4°0.1°
O21C07N08C090.2°0.1°
O21C07N08H081179.8°180.0°
C07N08C09H081180.0°179.9°
C07N08C09C1374.7°155.0°
C07N08C09C10162.6°84.9°
C07N08C09H09147.3°35.0°
N08C09C13C10121.6°120.0°
N08C09C13H091122.4°120.0°
N08C09C13C1457.5°65.0°
N08C09C10H091115.9°119.9°
N08C09C10O124.0°0.1°
N08C09C10O11175.4°180.0°
N08C09C13H131178.4°175.1°
N08C09C13H13263.4°55.0°
N19C20C14H201180.0°179.5°
N19C20C14C13179.3°179.7°
N19C20C14C150.6°0.3°
C20N19C18C160.2°0.6°
C20N19C18H181179.8°179.7°
C14C20N19C180.1°0.6°
C20C14C13C0999.3°90.0°
C20C14C13C15178.7°180.0°
C20C14C15C160.8°0.0°
C20C14C15H151179.2°180.0°
C20C14C13H131139.8°30.0°
C20C14C13H13221.6°150.0°
N19C18C16H181180.0°179.6°
N19C18C16C150.0°0.3°
N19C18C16BR17179.4°179.7°
C18N19C20H201179.9°179.9°
C09C13C14H131120.9°120.0°
C09C13C14H132120.9°120.0°
C13C09C10H091116.0°120.0°
C09C13C14C1582.0°90.0°
C13C09C10O12124.1°120.0°
C13C09C10O1156.5°60.0°
C09C13H131H132117.2°120.0°
C13C09N08H081105.3°25.1°
C14C13C09C1064.2°175.0°
C13C14C15C16179.5°180.0°
C13C14C15H1510.5°0.0°
C14C13H131H132117.1°120.0°
C13C14C20H2010.7°0.3°
C14C13C09H091179.9°55.0°
C09C10O12O11179.4°179.9°
C10C09C13H13156.7°55.0°
C10C09C13H132174.9°65.0°
C10C09N08H08117.4°95.0°
C09C10O11H1179.4°179.9°
C14C15C16C180.5°0.0°
C14C15C16H151180.0°180.0°
C14C15C16BR17179.8°180.0°
C15C14C13H13139.0°150.0°
C15C14C13H132157.1°29.9°
C15C14C20H201179.4°179.8°
C18C16C15BR17179.3°180.0°
C18C16C15H151179.5°180.0°
O12C10C09H091119.9°120.0°
O12C10O11H10.0°0.0°
O11C10C09H09159.5°60.1°
C15C16C18H181179.9°179.9°
BR17C16C18H1810.6°0.1°
BR17C16C15H1510.2°0.0°
H131C13C09H09159.2°65.0°
H132C13C09H09159.0°175.0°
H011C01H013H012120.0°120.0°
H091C09N08H081132.7°145.1°

223532

PDB entries from 2024-08-07

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