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SummaryGeometryRelated PDB entries

TXO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C01C02doub1.40Å1.38ÅAromatic
C02N03sing1.32Å1.33ÅAromatic
N03C04doub1.32Å1.36ÅAromatic
C04C05sing1.40Å1.40ÅAromatic
C01C06sing1.38Å1.38ÅAromatic
C05C06doub1.40Å1.37ÅAromatic
C02O07sing1.36Å1.37Å
C04C08sing1.51Å1.50Å
C08F09sing1.40Å1.34Å
C08F10sing1.40Å1.32Å
C08F11sing1.40Å1.33Å
C01O12sing1.36Å1.40Å
O07C13sing1.43Å1.41Å
C13C14sing1.53Å1.46Å
C14F15sing1.40Å1.31Å
C14F16sing1.40Å1.34Å
C14F17sing1.40Å1.36Å
C05C18sing1.48Å1.51Å
C18O19doub1.21Å1.26Å
C18O20sing1.35Å1.26Å
O12C21sing1.36Å1.39Å
C21C22doub1.39Å1.40ÅAromatic
C22C23sing1.38Å1.35ÅAromatic
C23C24doub1.38Å1.40ÅAromatic
C24C25sing1.38Å1.39ÅAromatic
C21C26sing1.39Å1.40ÅAromatic
C25C26doub1.38Å1.41ÅAromatic
C06H27sing1.08Å1.08Å
C13H29sing1.09Å1.10Å
C13H28sing1.09Å1.10Å
C22H31sing1.08Å1.08Å
C23H32sing1.08Å1.08Å
C24H33sing1.08Å1.08Å
C25H34sing1.08Å1.08Å
C26H35sing1.08Å1.08Å
O20H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C01C02N03124.4°120.9°
C02C01C06118.2°119.2°
C01C02O07117.9°119.6°
C02C01O12116.4°120.4°
C02N03C04117.2°121.9°
N03C02O07117.7°119.5°
N03C04C05121.8°120.7°
N03C04C08115.7°119.6°
C04C05C06119.3°119.0°
C05C04C08122.5°119.7°
C04C05C18121.8°120.5°
C01C06C05119.1°118.3°
C06C01O12125.2°120.4°
C01C06H27120.5°120.9°
C06C05C18119.0°120.5°
C05C06H27120.4°120.8°
C02O07C13123.6°117.0°
C04C08F09108.3°109.5°
C04C08F10112.2°109.4°
C04C08F11112.1°109.4°
F09C08F10105.9°109.5°
F09C08F11110.5°109.5°
F10C08F11107.6°109.5°
C01O12C21119.5°118.0°
O07C13C14106.0°109.5°
O07C13H29110.3°109.5°
O07C13H28110.3°109.5°
C13C14F15111.8°109.4°
C13C14F16108.8°109.5°
C13C14F17111.4°109.5°
C14C13H29110.3°109.4°
C14C13H28110.3°109.4°
F15C14F16106.4°109.5°
F15C14F17111.6°109.5°
F16C14F17106.6°109.5°
C05C18O19121.2°120.0°
C05C18O20117.1°120.0°
O19C18O20121.5°120.0°
C18O20H1109.5°117.0°
O12C21C22114.7°120.0°
O12C21C26121.6°120.1°
C21C22C23121.5°119.9°
C22C21C26123.3°119.9°
C21C22H31119.3°120.0°
C22C23C24116.0°120.1°
C23C22H31119.2°120.0°
C22C23H32122.0°120.0°
C23C24C25123.8°120.1°
C24C23H32122.0°120.0°
C23C24H33118.1°120.0°
C24C25C26119.9°120.1°
C25C24H33118.1°119.9°
C24C25H34120.0°119.9°
C21C26C25115.3°119.9°
C21C26H35122.3°120.0°
C26C25H34120.0°120.0°
C25C26H35122.4°120.0°
H29C13H28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C01C02N03O07177.9°179.9°
C01C02N03C040.7°0.1°
C02C01C06O12174.6°179.6°
C02C01C06C053.7°0.1°
C01C02O07C13177.6°180.0°
C02C01O12C21163.4°175.4°
C02C01C06H27176.3°180.0°
C02N03C04C050.6°0.1°
N03C02C01C062.9°0.1°
C02N03C04C08179.8°180.0°
N03C02C01O12177.9°179.7°
N03C02O07C130.4°0.1°
N03C04C05C08179.2°179.9°
N03C04C05C060.4°0.1°
C04N03C02O07178.6°180.0°
N03C04C08F0925.8°5.0°
N03C04C08F10142.3°125.0°
N03C04C08F1196.4°115.0°
N03C04C05C18179.3°179.9°
C04C05C06C012.6°0.1°
C04C05C06C18179.7°180.0°
C05C04C08F09153.5°175.0°
C05C04C08F1037.0°55.0°
C05C04C08F1184.4°64.9°
C04C05C18O19122.3°0.0°
C04C05C18O2063.3°179.9°
C04C05C06H27177.4°180.0°
C01C06C05H27180.0°180.0°
C06C01C02O07179.3°180.0°
C01C06C05C18177.1°179.9°
C06C01O12C2122.0°4.2°
C06C05C04C08178.8°180.0°
C05C06C01O12178.3°179.7°
C06C05C18O1958.0°180.0°
C06C05C18O20116.4°0.1°
O07C02C01O124.2°0.4°
C02O07C13C14106.7°180.0°
C02O07C13H2912.7°60.0°
C02O07C13H28133.8°60.1°
C04C08F09F10120.6°120.0°
C04C08F09F11123.2°120.0°
C04C08F10F11123.9°119.9°
C08C04C05C181.5°0.0°
F09C08F10F11118.2°120.0°
C01O12C21C2271.5°101.4°
C01O12C21C26115.4°78.8°
O12C01C06H271.7°0.4°
O07C13C14H29119.5°120.0°
O07C13C14H28119.5°120.0°
O07C13C14F1562.2°60.0°
O07C13C14F16179.4°180.0°
O07C13C14F1763.3°60.0°
O07C13H29H28121.6°120.0°
C13C14F15F16118.6°120.0°
C13C14F15F17125.5°120.0°
C13C14F16F17120.2°120.0°
C14C13H29H28121.6°120.0°
F15C14F16F17119.2°120.0°
F15C14C13H29178.3°60.0°
F15C14C13H2857.2°180.0°
F16C14C13H2961.1°60.0°
F16C14C13H2859.9°60.0°
F17C14C13H2956.1°180.0°
F17C14C13H28177.2°60.0°
C05C18O19O20174.1°179.9°
C18C05C06H272.9°0.0°
C05C18O20H1174.4°180.0°
O19C18O20H10.0°0.1°
O12C21C22C26173.0°179.8°
O12C21C22C23177.5°180.0°
O12C21C26C25174.3°179.8°
O12C21C22H312.5°0.0°
O12C21C26H355.8°0.0°
C21C22C23H31180.0°180.0°
C21C22C23C245.3°0.0°
C22C21C26C251.7°0.5°
C21C22C23H32174.7°180.0°
C22C21C26H35178.3°179.7°
C22C23C24H32180.0°179.9°
C22C23C24C253.9°0.1°
C23C22C21C264.5°0.3°
C22C23C24H33176.1°180.0°
C23C24C25H33180.0°179.9°
C23C24C25C261.5°0.3°
C24C23C22H31174.7°180.0°
C23C24C25H34178.5°179.9°
C24C25C26C210.3°0.5°
C24C25C26H34180.0°179.8°
C25C24C23H32176.1°180.0°
C24C25C26H35179.7°179.7°
C21C26C25H35180.0°179.8°
C26C21C22H31175.5°179.8°
C21C26C25H34179.7°179.7°
C26C25C24H33178.5°179.8°
H31C22C23H325.3°0.0°
H32C23C24H333.9°0.1°
H33C24C25H341.5°0.0°
H34C25C26H350.3°0.1°

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PDB entries from 2024-07-10

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