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SummaryGeometryRelated PDB entries

JEX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
F26C25sing1.40Å1.36Å
C22C21doub1.38Å1.39ÅAromatic
C22C23sing1.38Å1.39ÅAromatic
C21C20sing1.38Å1.38ÅAromatic
F28C25sing1.40Å1.37Å
C25C23sing1.51Å1.55Å
C25F27sing1.40Å1.36Å
C23C24doub1.38Å1.40ÅAromatic
C20C19doub1.39Å1.38ÅAromatic
C24C19sing1.39Å1.39ÅAromatic
C19C17sing1.48Å1.38Å
C17N18sing1.35Å1.31ÅAromatic
C17N16doub1.31Å1.31ÅAromatic
N18C14doub1.32Å1.32ÅAromatic
N16O15sing1.21Å1.36ÅAromatic
S04C05sing1.76Å1.71ÅAromatic
S04C03sing1.71Å1.71ÅAromatic
F01C02sing1.40Å1.36Å
C14O15sing1.34Å1.34ÅAromatic
C14C05sing1.47Å1.39Å
C05C06doub1.35Å1.39ÅAromatic
F30C02sing1.40Å1.35Å
C02C03sing1.51Å1.50Å
C02F29sing1.40Å1.35Å
C03C07doub1.36Å1.36ÅAromatic
C06C07sing1.39Å1.39ÅAromatic
C07C08sing1.48Å1.38Å
C08C13doub1.39Å1.37ÅAromatic
C08C09sing1.39Å1.37ÅAromatic
C13C12sing1.38Å1.38ÅAromatic
C09C10doub1.38Å1.38ÅAromatic
C12C11doub1.38Å1.37ÅAromatic
C10C11sing1.38Å1.37ÅAromatic
C06H1sing1.08Å1.08Å
C09H2sing1.08Å1.08Å
C10H3sing1.08Å1.08Å
C11H4sing1.08Å1.08Å
C12H5sing1.08Å1.08Å
C13H6sing1.08Å1.08Å
C20H7sing1.08Å1.08Å
C21H8sing1.08Å1.08Å
C22H9sing1.08Å1.08Å
C24H10sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
F26C25F28107.2°109.5°
F26C25C23112.3°109.4°
F26C25F27106.5°109.4°
C21C22C23121.2°120.3°
C22C21C20120.2°120.1°
C22C21H8119.9°120.0°
C21C22H9119.4°119.9°
C22C23C25120.6°119.9°
C22C23C24117.7°120.1°
C23C22H9119.4°119.9°
C21C20C19119.4°119.9°
C21C20H7120.3°120.0°
C20C21H8119.9°119.9°
F28C25C23111.3°109.5°
F28C25F27109.3°109.5°
C23C25F27110.1°109.5°
C25C23C24121.7°120.0°
C23C24C19120.9°119.9°
C23C24H10119.6°120.1°
C20C19C24120.5°119.8°
C20C19C17118.5°120.1°
C19C20H7120.3°120.1°
C24C19C17121.0°120.1°
C19C24H10119.5°120.0°
C19C17N18125.1°126.3°
C19C17N16125.8°126.3°
N18C17N16109.1°107.4°
C17N18C14108.6°105.5°
C17N16O15107.5°110.4°
N18C14O15108.0°106.7°
N18C14C05124.6°126.6°
N16O15C14106.7°109.9°
C05S04C0397.8°91.8°
S04C05C14123.3°125.1°
S04C05C06104.5°109.7°
S04C03C02126.9°124.7°
S04C03C07107.0°110.6°
F01C02F30107.2°109.4°
F01C02C03112.1°109.5°
F01C02F29112.4°109.5°
O15C14C05127.0°126.6°
C14C05C06132.0°125.2°
C05C06C07116.4°113.6°
C05C06H1121.8°123.3°
F30C02C03109.1°109.5°
F30C02F29110.5°109.5°
C03C02F29105.5°109.5°
C02C03C07126.2°124.7°
C03C07C06114.3°114.3°
C03C07C08119.6°122.8°
C06C07C08126.1°122.8°
C07C06H1121.8°123.2°
C07C08C13119.0°120.1°
C07C08C09122.5°120.1°
C13C08C09118.5°119.8°
C08C13C12120.1°119.9°
C08C13H6119.9°120.1°
C08C09C10121.6°119.9°
C08C09H2119.2°120.0°
C13C12C11121.2°120.1°
C13C12H5119.4°119.9°
C12C13H6119.9°120.1°
C09C10C11119.5°120.1°
C10C09H2119.2°120.1°
C09C10H3120.3°119.9°
C12C11C10119.1°120.3°
C12C11H4120.5°119.9°
C11C12H5119.4°119.9°
C11C10H3120.2°120.0°
C10C11H4120.5°119.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
F26C25C23C2254.1°120.0°
F26C25F28C23123.2°120.0°
F26C25F28F27115.0°120.0°
F26C25C23F27118.4°119.9°
F26C25C23C24125.6°60.3°
C21C22C23H9180.0°180.0°
C22C21C20H8180.0°180.0°
C21C22C23C25179.9°179.9°
C21C22C23C240.1°0.3°
C22C21C20C190.1°0.0°
C22C21C20H7179.9°179.9°
C23C22C21C200.1°0.0°
C22C23C25F2866.1°120.0°
C22C23C25C24179.8°179.7°
C22C23C25F27172.6°0.1°
C22C23C24C190.5°0.6°
C23C22C21H8179.9°180.0°
C22C23C24H10179.5°179.9°
C21C20C19H7180.0°179.9°
C21C20C19C240.5°0.3°
C21C20C19C17179.9°180.0°
C20C21C22H9179.9°180.0°
F28C25C23F27121.3°120.0°
F28C25C23C24114.2°59.7°
C25C23C24C19179.7°179.8°
C25C23C22H90.1°0.0°
C25C23C24H100.3°0.3°
F27C25C23C247.2°179.7°
C23C24C19C200.7°0.6°
C23C24C19H10180.0°179.5°
C23C24C19C17179.9°179.7°
C24C23C22H9179.9°179.7°
C20C19C24C17179.4°179.7°
C20C19C17N1810.7°0.1°
C20C19C17N16169.4°179.7°
C19C20C21H8179.9°180.0°
C20C19C24H10179.3°179.9°
C24C19C17N18169.9°179.8°
C24C19C17N1610.0°0.5°
C24C19C20H7179.5°179.8°
C19C17N18N16179.9°179.7°
C19C17N18C14178.4°180.0°
C19C17N16O15179.9°179.8°
C17C19C20H70.2°0.1°
C17C19C24H100.0°0.2°
N18C17N16O150.1°0.4°
C17N18C14O152.7°0.0°
C17N18C14C05175.9°179.7°
N16C17N18C141.6°0.3°
C17N16O15C141.8°0.4°
N18C14O15N162.7°0.3°
N18C14C05S049.1°0.4°
N18C14O15C05173.0°179.8°
N18C14C05C06177.4°179.8°
N16O15C14C05175.7°180.0°
S04C05C14O15162.8°179.9°
S04C05C14C06173.4°179.8°
C05S04C03C02179.3°180.0°
C05S04C03C070.2°0.3°
S04C05C06C071.4°0.1°
S04C05C06H1178.6°179.9°
S04C03C02F0115.6°149.7°
C03S04C05C14175.8°179.9°
C03S04C05C060.9°0.2°
S04C03C02F30103.0°29.7°
S04C03C02C07179.4°179.7°
S04C03C02F29138.3°90.3°
S04C03C07C060.5°0.2°
S04C03C07C08179.9°179.7°
F01C02F30C03121.6°120.0°
F01C02F30F29122.8°120.0°
F01C02C03F29122.7°120.0°
F01C02C03C07163.8°30.0°
O15C14C05C0610.6°0.1°
C14C05C06C07175.7°180.0°
C14C05C06H14.3°0.0°
C05C06C07C031.3°0.0°
C05C06C07H1180.0°180.0°
C05C06C07C08179.4°179.9°
F30C02C03F29118.8°120.0°
F30C02C03C0777.6°150.0°
C02C03C07C06180.0°180.0°
C02C03C07C080.6°0.0°
F29C02C03C0741.1°90.0°
C03C07C06C08179.3°180.0°
C03C07C08C1348.1°130.0°
C03C07C08C09131.7°49.8°
C03C07C06H1178.6°179.9°
C06C07C08C13131.1°50.0°
C06C07C08C0949.1°130.2°
C07C08C13C09179.8°179.8°
C07C08C13C12179.9°179.6°
C07C08C09C10179.9°180.0°
C08C07C06H10.6°0.1°
C07C08C09H20.2°0.1°
C07C08C13H60.1°0.1°
C08C13C12H6180.0°179.7°
C13C08C09C100.4°0.2°
C08C13C12C110.2°0.7°
C13C08C09H2179.6°179.7°
C08C13C12H5179.8°179.7°
C09C08C13C120.1°0.6°
C08C09C10H2180.0°179.9°
C08C09C10C110.6°0.1°
C08C09C10H3179.4°179.9°
C09C08C13H6179.9°179.8°
C13C12C11H5180.0°179.6°
C13C12C11C100.4°0.4°
C13C12C11H4179.6°179.7°
C09C10C11C120.6°0.0°
C09C10C11H3180.0°180.0°
C09C10C11H4179.4°180.0°
C12C11C10H4180.0°179.9°
C12C11C10H3179.4°180.0°
C11C12C13H6179.9°179.7°
C11C10C09H2179.4°180.0°
C10C11C12H5179.6°180.0°
H2C09C10H30.6°0.0°
H3C10C11H40.6°0.0°
H4C11C12H50.4°0.1°
H5C12C13H60.2°0.1°
H7C20C21H80.0°0.1°
H8C21C22H90.1°0.0°

222415

PDB entries from 2024-07-10

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