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A1B6E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F23C22sing1.35Å1.36Å
C22C21doub1.38Å1.40ÅAromatic
C22C24sing1.39Å1.38ÅAromatic
C21C20sing1.38Å1.34ÅAromatic
CL25C24sing1.74Å1.76Å
C24C26doub1.38Å1.36ÅAromatic
C20C19doub1.39Å1.40ÅAromatic
C26C19sing1.39Å1.38ÅAromatic
C19N18sing1.40Å1.50Å
N18C17sing1.38Å1.41Å
O12S10doub1.42Å1.41Å
C17N27doub1.33Å1.30ÅAromatic
C17C16sing1.42Å1.42ÅAromatic
C39C09sing1.54Å1.49Å
C39C07sing1.54Å1.51Å
S10O11doub1.42Å1.44Å
S10C09sing1.81Å1.80Å
S10N13sing1.66Å1.70Å
N27C28sing1.32Å1.33ÅAromatic
C09C08sing1.54Å1.51Å
C15C16doub1.40Å1.44ÅAromatic
C15C14sing1.38Å1.39ÅAromatic
C16C30sing1.42Å1.37ÅAromatic
N13C14sing1.40Å1.45Å
C07C08sing1.54Å1.48Å
C28N29doub1.31Å1.34ÅAromatic
C14C32doub1.40Å1.40ÅAromatic
C30N29sing1.34Å1.34ÅAromatic
C30C31doub1.40Å1.44ÅAromatic
C32C31sing1.37Å1.36ÅAromatic
C32O33sing1.36Å1.43Å
O33C34sing1.43Å1.46Å
C38C34sing1.54Å1.35Å
C38O37sing1.44Å1.53Å
C34C35sing1.55Å1.61Å
O37C36sing1.44Å1.56Å
C35C36sing1.54Å1.31Å
C15H151sing1.08Å1.08Å
C20H201sing1.08Å1.08Å
C21H211sing1.08Å1.08Å
C26H261sing1.08Å1.08Å
C28H281sing1.08Å1.08Å
C07H071sing1.09Å1.10Å
C07H1sing1.09Å1.10Å
C08H082sing1.09Å1.10Å
C08H081sing1.09Å1.10Å
C09H091sing1.09Å1.10Å
C31H311sing1.08Å1.08Å
C34H341sing1.09Å1.10Å
C35H352sing1.09Å1.10Å
C35H351sing1.09Å1.10Å
C36H361sing1.09Å1.10Å
C36H362sing1.09Å1.10Å
C38H381sing1.09Å1.10Å
C38H382sing1.09Å1.10Å
C39H391sing1.09Å1.10Å
C39H392sing1.09Å1.10Å
N13H131sing0.97Å1.00Å
N18H181sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F23C22C21119.2°120.0°
F23C22C24119.1°119.9°
C21C22C24121.7°120.1°
C22C21C20119.2°120.1°
C22C21H211120.4°119.9°
C22C24CL25120.9°120.0°
C22C24C26119.0°120.0°
C21C20C19118.5°120.0°
C21C20H201120.7°120.0°
C20C21H211120.4°120.0°
CL25C24C26120.0°120.0°
C24C26C19118.7°120.0°
C24C26H261120.7°120.0°
C20C19C26122.8°119.9°
C20C19N18118.0°120.0°
C19C20H201120.7°120.0°
C26C19N18119.1°120.1°
C19C26H261120.7°120.0°
C19N18C17122.6°120.0°
C19N18H181118.7°120.0°
N18C17N27120.7°120.9°
N18C17C16118.0°120.9°
C17N18H181118.7°120.0°
O12S10O11109.2°121.1°
O12S10C09110.5°110.5°
O12S10N13111.9°104.3°
N27C17C16121.3°118.2°
C17N27C28120.3°121.5°
C17C16C15123.3°121.9°
C17C16C30116.2°118.2°
C09C39C0791.2°87.1°
C39C09S10119.3°113.7°
C39C09C0886.5°87.1°
C39C09H091114.0°113.6°
C09C39H391113.8°113.6°
C09C39H392113.8°113.7°
C39C07C0887.1°87.1°
C39C07H071114.7°113.7°
C39C07H1114.7°113.6°
C07C39H391113.8°113.6°
C07C39H392113.8°113.6°
O11S10C09114.1°110.5°
O11S10N13108.3°104.2°
C09S10N13102.9°104.5°
S10C09C08111.9°113.6°
S10C09H091109.8°112.8°
S10N13C14120.6°120.0°
S10N13H131106.6°119.9°
N27C28N29121.5°123.0°
N27C28H281119.2°118.5°
C09C08C0791.3°87.1°
C09C08H082113.8°113.6°
C09C08H081113.8°113.7°
C08C09H091113.7°113.7°
C16C15C14117.7°119.3°
C15C16C30120.5°119.9°
C16C15H151121.2°120.3°
C15C14N13125.2°119.7°
C15C14C32121.3°120.6°
C14C15H151121.2°120.3°
C16C30N29120.5°118.7°
C16C30C31120.4°119.5°
N13C14C32113.5°119.7°
C14N13H131106.6°120.1°
C08C07H071114.7°113.6°
C08C07H1114.7°113.6°
C07C08H082113.8°113.7°
C07C08H081113.8°113.6°
C28N29C30120.2°120.5°
N29C28H281119.3°118.6°
C14C32C31121.4°120.9°
C14C32O33114.5°119.6°
N29C30C31119.1°121.8°
C30C31C32118.7°119.8°
C30C31H311120.6°120.1°
C31C32O33124.0°119.5°
C32C31H311120.6°120.2°
C32O33C34114.6°117.0°
O33C34C38104.8°110.7°
O33C34C35101.7°110.5°
O33C34H341111.5°110.5°
C34C38O37101.8°104.8°
C38C34C35115.7°104.0°
C38C34H341113.2°110.5°
C34C38H381111.3°110.3°
C34C38H382111.3°110.3°
C38O37C36107.0°105.3°
O37C38H381111.3°110.4°
O37C38H382111.4°110.4°
C34C35C36102.5°104.1°
C35C34H341109.3°110.5°
C34C35H352111.2°110.6°
C34C35H351111.2°110.5°
O37C36C35111.2°104.8°
O37C36H361109.0°110.4°
O37C36H362109.0°110.5°
C36C35H352111.2°110.5°
C36C35H351111.2°110.5°
C35C36H361109.0°110.3°
C35C36H362109.0°110.4°
H071C07H1109.5°112.9°
H082C08H081109.5°112.8°
H352C35H351109.5°110.6°
H361C36H362109.5°110.4°
H381C38H382109.5°110.4°
H391C39H392109.5°112.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F23C22C21C24178.4°180.0°
F23C22C21C20179.8°180.0°
F23C22C24CL251.0°0.0°
F23C22C24C26179.6°180.0°
F23C22C21H2110.2°0.1°
C22C21C20H211180.0°179.9°
C21C22C24CL25179.4°180.0°
C21C22C24C261.2°0.0°
C22C21C20C190.7°0.0°
C22C21C20H201179.3°179.7°
C24C22C21C201.4°0.1°
C22C24CL25C26179.4°180.0°
C22C24C26C190.2°0.0°
C24C22C21H211178.6°180.0°
C22C24C26H261179.8°179.9°
C21C20C19H201180.0°179.7°
C21C20C19C260.2°0.0°
C21C20C19N18177.3°179.7°
CL25C24C26C19179.6°180.0°
CL25C24C26H2610.4°0.1°
C24C26C19C200.5°0.1°
C24C26C19H261180.0°179.9°
C24C26C19N18177.5°179.7°
C20C19C26N18177.0°179.7°
C20C19N18C17142.5°144.7°
C19C20C21H211179.3°179.9°
C20C19C26H261179.5°179.9°
C20C19N18H18137.5°35.3°
C26C19N18C1740.3°35.6°
C26C19C20H201179.8°179.7°
C26C19N18H181139.7°144.4°
C19N18C17H181180.0°180.0°
C19N18C17N2719.8°5.6°
C19N18C17C16162.7°174.4°
N18C19C20H2012.7°0.0°
N18C19C26H2612.5°0.4°
N18C17N27C16177.4°180.0°
N18C17N27C28178.1°180.0°
N18C17C16C152.6°0.1°
N18C17C16C30178.1°180.0°
O12S10C09C3989.2°29.2°
O12S10O11C09124.1°131.5°
O12S10O11N13122.0°116.7°
O12S10C09N13119.6°111.7°
O12S10C09C08172.2°68.4°
O12S10N13C1461.6°175.5°
O12S10C09H09145.1°160.4°
O12S10N13H131176.8°4.4°
N27C17C16C15179.9°179.9°
N27C17C16C300.6°0.0°
C17N27C28N291.2°0.0°
C17N27C28H281178.9°179.9°
N27C17N18H181160.2°174.4°
C16C17N27C280.6°0.0°
C17C16C15C30179.3°179.9°
C17C16C15C14179.9°180.0°
C17C16C30N291.1°0.1°
C17C16C30C31179.5°180.0°
C17C16C15H1510.0°0.2°
C16C17N18H18117.3°5.6°
C09C39C07H391116.8°114.5°
C09C39C07H392116.8°114.6°
C39C09S10O1134.2°166.0°
C39C09S10C0898.6°97.5°
C39C09S10H091134.2°131.2°
C39C09S10N13151.3°82.5°
C39C09C08H091114.7°114.5°
C09C39C07C0814.9°25.4°
C09C39C07H071130.9°140.0°
C09C39C07H1101.1°89.1°
C39C09C08H082131.7°140.0°
C39C09C08H081102.0°89.2°
C09C39H391H392128.7°131.3°
C07C39C09S1098.5°140.0°
C39C07C08H071116.0°114.6°
C39C07C08H1116.0°114.6°
C39C07H071H1130.6°131.3°
C39C07C08H082131.5°140.0°
C39C07C08H081102.1°89.2°
C07C39C09H091129.0°89.2°
C07C39H391H392128.6°131.3°
O11S10C09N13117.0°111.6°
O11S10C09C0864.4°68.4°
O11S10N13C14178.0°56.6°
O11S10C09H091168.5°62.8°
O11S10N13H13156.4°123.5°
S10C09C08H091125.0°130.9°
C09S10N13C1456.9°59.4°
S10C09C08C07105.3°140.0°
S10C09C08H08211.5°105.4°
S10C09C08H081137.8°25.4°
S10C09C39H391144.7°25.5°
S10C09C39H39218.3°105.5°
C09S10N13H13164.6°120.5°
N13S10C09C0852.7°180.0°
S10N13C14C1527.2°35.4°
S10N13C14H131121.6°179.9°
S10N13C14C32154.6°144.6°
N13S10C09H09174.5°48.7°
N27C28N29H281180.0°179.9°
N27C28N29C301.6°0.1°
C09C08C07H082116.8°114.5°
C09C08C07H081116.8°114.6°
C09C08C07H071130.7°140.0°
C09C08C07H1101.3°89.2°
C09C08H082H081128.6°131.2°
C08C09C39H391102.1°89.1°
C08C09C39H392131.4°140.0°
C16C15C14H151180.0°179.8°
C16C15C14N13178.0°179.9°
C16C15C14C320.0°0.1°
C15C16C30N29179.6°180.0°
C15C16C30C311.1°0.1°
C14C15C16C300.8°0.1°
C15C14N13C32178.2°180.0°
C15C14C32C310.4°0.0°
C15C14C32O33179.6°180.0°
C15C14N13H131148.8°144.6°
C16C30N29C281.6°0.1°
C16C30N29C31178.5°179.9°
C16C30C31C320.7°0.0°
C30C16C15H151179.2°179.7°
C16C30C31H311179.3°180.0°
N13C14C32C31177.8°180.0°
N13C14C32O332.1°0.0°
N13C14C15H1512.0°0.3°
C08C07H071H1130.6°131.2°
C07C08H082H081128.6°131.2°
C07C08C09H091129.6°89.1°
C08C07C39H391101.9°89.1°
C08C07C39H392131.7°140.0°
C28N29C30C31179.9°180.0°
C14C32C31C300.1°0.0°
C14C32C31O33179.9°180.0°
C14C32O33C34172.0°174.7°
C32C14C15H151180.0°179.8°
C14C32C31H311179.9°180.0°
C32C14N13H13133.1°35.3°
N29C30C31C32179.2°180.0°
C30N29C28H281178.4°180.0°
N29C30C31H3110.8°0.0°
C30C31C32H311180.0°180.0°
C30C31C32O33180.0°180.0°
C31C32O33C347.9°5.3°
C32O33C34C3873.5°91.1°
C32O33C34C35165.7°154.3°
O33C32C31H3110.0°0.0°
C32O33C34H34149.4°31.7°
O33C34C38C35111.1°118.7°
O33C34C38H341121.7°122.7°
O33C34C38O37108.5°142.6°
O33C34C35H341117.9°122.6°
O33C34C35C36118.9°118.8°
O33C34C35H352122.2°122.6°
O33C34C35H3510.1°0.2°
O33C34C38H38110.3°23.8°
O33C34C38H382132.8°98.5°
C34C38O37H381118.8°118.8°
C34C38O37H382118.7°118.8°
C38C34C35H341129.2°118.6°
C34C38O37C369.1°40.5°
C38C34C35C366.0°0.0°
C38C34C35H352124.9°118.6°
C38C34C35H351112.8°118.6°
C34C38H381H382123.5°122.2°
O37C38C34C352.6°23.9°
C38O37C36C3514.3°40.5°
O37C38C34H341129.9°94.6°
C38O37C36H361134.6°159.3°
C38O37C36H362105.9°78.4°
O37C38H381H382123.6°122.3°
C34C35C36O3711.7°24.0°
C34C35C36H352118.9°118.7°
C34C35C36H351118.9°118.6°
C34C35H352H351123.2°122.7°
C34C35C36H361132.0°142.8°
C34C35C36H362108.6°94.9°
C35C34C38H381121.4°94.9°
C35C34C38H382116.1°142.8°
O37C36C35H361120.3°118.8°
O37C36C35H362120.3°118.9°
O37C36C35H352130.6°94.7°
O37C36C35H351107.2°142.6°
O37C36H361H362119.2°122.4°
C36O37C38H381127.9°78.3°
C36O37C38H382109.6°159.3°
C36C35C34H341123.1°118.7°
C36C35H352H351123.3°122.6°
C35C36H361H362119.2°122.3°
H201C20C21H2110.7°0.4°
H071C07C08H082112.5°105.5°
H071C07C08H08113.9°25.4°
H071C07C39H39114.1°25.5°
H071C07C39H392112.3°105.4°
H1C07C08H08215.6°25.4°
H1C07C08H081141.9°156.2°
H1C07C39H391142.1°156.4°
H1C07C39H39215.8°25.5°
H082C08C09H091113.5°25.5°
H081C08C09H09112.8°156.3°
H091C09C39H39112.3°156.3°
H091C09C39H392114.2°25.4°
H341C34C35H3524.3°0.0°
H341C34C35H351118.0°122.7°
H341C34C38H381111.4°146.5°
H341C34C38H38211.1°24.2°
H352C35C36H361109.2°24.1°
H352C35C36H36210.3°146.4°
H351C35C36H36113.1°98.6°
H351C35C36H362132.6°23.7°

257179

PDB entries from 2026-07-29

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