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Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O01C02doub1.22Å1.19Å
C04C05sing1.55Å1.52Å
C04N03sing1.45Å1.46Å
C05C06sing1.47Å1.52Å
C02N03sing1.35Å1.45Å
C02C10sing1.48Å1.53Å
N03C09sing1.48Å1.45Å
C10C11doub1.40Å1.40ÅAromatic
C10C21sing1.40Å1.41ÅAromatic
C11N12sing1.32Å1.32ÅAromatic
C21C20doub1.39Å1.42ÅAromatic
C06C07sing1.53Å1.52Å
N12C13doub1.32Å1.36ÅAromatic
C20C13sing1.41Å1.37ÅAromatic
C20C18sing1.47Å1.53Å
C09C08sing1.54Å1.52Å
C13N14sing1.38Å1.50Å
C07C08sing1.51Å1.52Å
O19C18doub1.22Å1.18Å
C18N17sing1.35Å1.43Å
N14C15sing1.34Å1.44Å
N17C15sing1.34Å1.43Å
C15O16doub1.22Å1.18Å
C11H111sing1.08Å1.08Å
C04H041sing1.09Å1.10Å
C04H042sing1.09Å1.10Å
C05H051sing1.09Å1.10Å
C05H052sing1.09Å1.10Å
C06H062sing1.09Å1.10Å
C06H061sing1.09Å1.10Å
C07H071sing1.09Å1.10Å
C07H072sing1.09Å1.10Å
C08H081sing1.09Å1.10Å
C08H082sing1.09Å1.10Å
C09H092sing1.09Å1.10Å
C09H091sing1.09Å1.10Å
C21H211sing1.08Å1.08Å
N14H141sing0.97Å1.00Å
N17H171sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O01C02N03117.9°120.0°
O01C02C10116.0°119.9°
C05C04N03112.4°109.6°
C04C05C06110.6°110.4°
C05C04H041108.8°109.5°
C05C04H042108.7°109.4°
C04C05H051109.2°109.3°
C04C05H052109.2°109.3°
C04N03C02114.7°118.7°
C04N03C09128.5°122.7°
N03C04H041108.7°109.5°
N03C04H042108.7°109.4°
C05C06C07112.0°114.3°
C06C05H051109.2°109.4°
C06C05H052109.2°109.3°
C05C06H062108.8°108.5°
C05C06H061108.8°108.5°
N03C02C10126.1°120.0°
C02N03C09116.8°118.6°
C02C10C11119.6°120.5°
C02C10C21120.9°120.4°
N03C09C08116.1°112.2°
N03C09H092107.8°109.0°
N03C09H091107.8°108.8°
C11C10C21119.5°119.1°
C10C11N12119.3°121.4°
C10C11H111120.4°119.3°
C10C21C20119.0°117.8°
C10C21H211120.5°121.1°
C11N12C13123.3°121.8°
N12C11H111120.3°119.3°
C21C20C13118.2°119.7°
C21C20C18122.3°121.8°
C20C21H211120.5°121.1°
C06C07C08113.8°109.4°
C07C06H062108.9°108.5°
C07C06H061108.8°108.5°
C06C07H071108.4°109.5°
C06C07H072108.4°109.5°
N12C13C20120.8°120.3°
N12C13N14119.3°121.3°
C13C20C18119.5°118.5°
C20C13N14119.9°118.5°
C20C18O19120.4°121.0°
C20C18N17119.2°118.1°
C09C08C07115.3°110.1°
C09C08H081108.0°109.4°
C09C08H082108.0°109.3°
C08C09H092107.8°108.9°
C08C09H091107.8°108.9°
C13N14C15121.1°120.9°
C13N14H141119.5°119.6°
C08C07H071108.4°109.4°
C08C07H072108.4°109.5°
C07C08H081108.0°109.3°
C07C08H082108.0°109.3°
O19C18N17120.4°120.9°
C18N17C15121.5°121.1°
C18N17H171119.2°119.5°
N14C15N17118.7°122.9°
N14C15O16120.4°118.6°
C15N14H141119.5°119.5°
N17C15O16120.9°118.5°
C15N17H171119.2°119.4°
H041C04H042109.5°109.4°
H051C05H052109.4°109.1°
H062C06H061109.5°108.3°
H071C07H072109.5°109.5°
H081C08H082109.5°109.4°
H092C09H091109.5°109.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O01C02N03C040.3°5.7°
O01C02N03C10177.3°180.0°
O01C02N03C09178.9°174.2°
O01C02C10C1153.0°38.6°
O01C02C10C21123.6°141.5°
C05C04N03H041120.5°120.1°
C05C04N03H042120.4°120.0°
C04C05C06H051120.2°120.3°
C04C05C06H052120.2°120.3°
C05C04N03C0292.7°89.2°
C05C04N03C0988.2°90.7°
C04C05C06C0740.3°62.8°
C05C04H041H042118.7°119.9°
C04C05H051H052119.5°119.6°
C04C05C06H062160.7°175.9°
C04C05C06H06180.1°58.4°
N03C04C05C0640.1°71.3°
C04N03C02C09179.2°179.9°
C04N03C02C10177.6°174.3°
C04N03C09C0848.2°42.0°
N03C04H041H042118.7°119.9°
N03C04C05H051160.3°49.0°
N03C04C05H05280.1°168.4°
C04N03C09H092169.2°162.7°
C04N03C09H09172.7°78.6°
C05C06C07H062120.4°121.3°
C05C06C07H061120.4°121.2°
C05C06C07C0899.1°85.0°
C06C05C04H041160.5°48.8°
C06C05C04H04280.3°168.7°
C06C05H051H052119.5°119.5°
C05C06H062H061118.8°117.6°
C05C06C07H07121.6°35.0°
C05C06C07H072140.3°155.1°
N03C02C10C11129.6°141.4°
N03C02C10C2153.8°38.5°
C02N03C09C08132.7°137.9°
C02N03C04H04127.8°150.7°
C02N03C04H042146.9°30.8°
C02N03C09H09211.7°17.2°
C02N03C09H091106.4°101.5°
C10C02N03C091.6°5.8°
C02C10C11C21176.7°180.0°
C02C10C11N12178.0°180.0°
C02C10C21C20178.3°180.0°
C02C10C11H1112.1°0.1°
C02C10C21H2111.7°0.0°
N03C09C08H092121.0°120.7°
N03C09C08H091121.0°120.5°
N03C09C08C0721.3°40.6°
C09N03C04H041151.3°29.4°
C09N03C04H04232.2°149.3°
N03C09C08H08199.5°160.7°
N03C09C08H082142.1°79.5°
N03C09H092H091117.0°118.6°
C10C11N12H111180.0°179.9°
C11C10C21C201.7°0.0°
C10C11N12C130.4°0.1°
C11C10C21H211178.3°180.0°
C21C10C11N121.3°0.0°
C10C21C20H211180.0°180.0°
C10C21C20C131.2°0.0°
C10C21C20C18179.1°180.0°
C21C10C11H111178.7°179.9°
C11N12C13C200.1°0.1°
C11N12C13N14179.9°180.0°
C21C20C13N120.3°0.1°
C21C20C13C18179.7°179.9°
C21C20C13N14179.6°180.0°
C21C20C18O190.3°0.2°
C21C20C18N17179.6°180.0°
C06C07C08C0962.1°91.9°
C06C07C08H071120.6°119.9°
C06C07C08H072120.6°120.0°
C07C06C05H05179.9°57.5°
C07C06C05H052160.5°176.9°
C07C06H062H061118.9°117.6°
C06C07H071H072118.0°120.1°
C06C07C08H08158.7°147.9°
C06C07C08H082177.1°28.2°
N12C13C20N14179.9°179.9°
N12C13C20C18180.0°180.0°
N12C13N14C15179.9°179.9°
C13N12C11H111179.7°180.0°
N12C13N14H1410.1°0.1°
C13C20C18O19180.0°179.7°
C13C20C18N170.0°0.1°
C20C13N14C150.2°0.0°
C13C20C21H211178.8°179.9°
C20C13N14H141179.9°180.0°
C18C20C13N140.1°0.1°
C20C18O19N17180.0°179.8°
C20C18N17C150.1°0.0°
C18C20C21H2110.9°0.0°
C20C18N17H171179.9°180.0°
C09C08C07H081120.8°120.2°
C09C08C07H082120.8°120.1°
C09C08C07H07158.5°28.0°
C09C08C07H072177.3°148.1°
C09C08H081H082117.4°119.7°
C08C09H092H091117.0°118.7°
C13N14C15H141180.0°180.0°
C13N14C15N170.2°0.0°
C13N14C15O16180.0°180.0°
C08C07C06H062140.6°153.8°
C08C07C06H06121.3°36.2°
C08C07H071H072118.0°120.0°
C07C08H081H082117.3°119.6°
C07C08C09H092142.3°80.1°
C07C08C09H09199.7°161.1°
O19C18N17C15179.9°179.8°
O19C18N17H1710.1°0.2°
C18N17C15N140.2°0.0°
C18N17C15H171180.0°180.0°
C18N17C15O16180.0°180.0°
N14C15N17O16179.8°180.0°
N14C15N17H171179.8°180.0°
N17C15N14H141179.8°180.0°
O16C15N14H1410.0°0.0°
O16C15N17H1710.0°0.0°
H041C04C05H05179.3°169.1°
H041C04C05H05240.3°71.5°
H042C04C05H05139.9°71.0°
H042C04C05H052159.5°48.5°
H051C05C06H06240.5°63.8°
H051C05C06H061159.7°178.7°
H052C05C06H06279.1°55.6°
H052C05C06H06140.1°61.9°
H062C06C07H07198.8°86.3°
H062C06C07H07219.9°33.8°
H061C06C07H071141.9°156.2°
H061C06C07H07299.3°83.7°
H071C07C08H081179.4°92.1°
H071C07C08H08262.3°148.2°
H072C07C08H08161.9°27.9°
H072C07C08H08256.4°91.8°
H081C08C09H09221.4°40.0°
H081C08C09H091139.5°78.7°
H082C08C09H09296.9°159.8°
H082C08C09H09121.2°41.0°

248636

PDB entries from 2026-02-04

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