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SummaryGeometryRelated PDB entries

CJ5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
F12C09sing1.40Å1.33Å
C09F10sing1.40Å1.33Å
C09F11sing1.40Å1.33Å
C09C08sing1.51Å1.51Å
C07C08doub1.38Å1.40ÅAromatic
C07C06sing1.38Å1.40ÅAromatic
C08C13sing1.38Å1.40ÅAromatic
C06C05doub1.38Å1.40ÅAromatic
C13C04doub1.39Å1.41ÅAromatic
C05C04sing1.39Å1.39ÅAromatic
C04N03sing1.40Å1.46Å
N03C02sing1.35Å1.45Å
O01C02doub1.22Å1.23Å
C02N14sing1.35Å1.46Å
N14C15sing1.40Å1.42Å
C34C35sing1.55Å1.51Å
C34C33sing1.54Å1.51Å
C16C15doub1.39Å1.39ÅAromatic
C16C17sing1.38Å1.38ÅAromatic
C35C36sing1.55Å1.48Å
C15C18sing1.39Å1.38ÅAromatic
C33C32sing1.54Å1.48Å
C17C20doub1.39Å1.38ÅAromatic
C18C19doub1.38Å1.38ÅAromatic
C36C32sing1.54Å1.47Å
C32C31sing1.51Å1.54Å
C20C19sing1.39Å1.38ÅAromatic
C20N21sing1.40Å1.42Å
C31C37doub1.35Å1.39ÅAromatic
C31N30sing1.35Å1.33ÅAromatic
N21C22sing1.38Å1.44Å
C37C28sing1.40Å1.43ÅAromatic
N30N29sing1.40Å1.37ÅAromatic
C22N38doub1.32Å1.34ÅAromatic
C22N23sing1.33Å1.35ÅAromatic
N38C26sing1.33Å1.35ÅAromatic
C28N29doub1.31Å1.35ÅAromatic
C28N27sing1.40Å1.45Å
N23C24doub1.32Å1.34ÅAromatic
C26N27sing1.39Å1.45Å
C26C25doub1.40Å1.41ÅAromatic
C24C25sing1.38Å1.40ÅAromatic
N03H031sing0.97Å1.00Å
C05H051sing1.08Å1.08Å
C06H061sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C13H131sing1.08Å1.08Å
N14H141sing0.97Å1.00Å
C16H161sing1.08Å1.08Å
C17H171sing1.08Å1.08Å
C18H181sing1.08Å1.08Å
C19H191sing1.08Å1.08Å
N21H211sing0.97Å1.00Å
C24H241sing1.08Å1.08Å
C25H251sing1.08Å1.08Å
N27H271sing0.97Å1.00Å
N30H301sing0.97Å1.00Å
C32H321sing1.09Å1.10Å
C33H332sing1.09Å1.10Å
C33H331sing1.09Å1.10Å
C34H341sing1.09Å1.10Å
C34H342sing1.09Å1.10Å
C35H351sing1.09Å1.10Å
C35H352sing1.09Å1.10Å
C36H362sing1.09Å1.10Å
C36H361sing1.09Å1.10Å
C37H371sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
F12C09F10110.0°109.4°
F12C09F11109.9°109.5°
F12C09C08109.9°109.5°
F10C09F11108.8°109.4°
F10C09C08109.8°109.5°
F11C09C08108.4°109.5°
C09C08C07120.2°119.9°
C09C08C13119.7°119.9°
C08C07C06120.1°120.1°
C07C08C13120.1°120.1°
C08C07H071120.0°120.0°
C07C06C05119.8°120.0°
C07C06H061120.1°119.9°
C06C07H071119.9°119.9°
C08C13C04119.8°119.9°
C08C13H131120.1°120.0°
C06C05C04120.1°119.9°
C06C05H051120.0°120.0°
C05C06H061120.1°120.0°
C13C04C05120.1°119.9°
C13C04N03121.2°120.1°
C04C13H131120.1°120.1°
C05C04N03118.7°120.1°
C04C05H051119.9°120.1°
C04N03C02127.3°120.0°
C04N03H031116.4°120.0°
N03C02O01123.6°120.0°
N03C02N14113.6°120.0°
C02N03H031116.4°120.0°
O01C02N14122.7°120.0°
C02N14C15124.8°120.0°
C02N14H141117.6°120.0°
N14C15C16122.9°120.0°
N14C15C18116.9°120.0°
C15N14H141117.6°120.0°
C35C34C33106.6°104.2°
C34C35C36108.1°102.8°
C35C34H341110.2°110.5°
C35C34H342110.2°110.5°
C34C35H351109.8°110.8°
C34C35H352109.8°110.7°
C34C33C32106.4°106.6°
C34C33H332110.2°110.0°
C34C33H331110.2°110.1°
C33C34H341110.2°110.5°
C33C34H342110.2°110.4°
C15C16C17119.7°120.0°
C16C15C18120.2°120.0°
C15C16H161120.1°120.0°
C16C17C20119.8°119.9°
C17C16H161120.2°119.9°
C16C17H171120.1°120.0°
C35C36C32107.1°104.1°
C36C35H351109.8°110.7°
C36C35H352109.8°110.8°
C35C36H362110.0°110.5°
C35C36H361110.0°110.5°
C15C18C19120.0°120.0°
C15C18H181120.0°120.0°
C33C32C36109.4°106.6°
C33C32C31119.5°110.0°
C33C32H321104.2°110.0°
C32C33H332110.2°110.1°
C32C33H331110.2°110.1°
C17C20C19120.8°120.1°
C17C20N21119.9°120.0°
C20C17H171120.1°120.1°
C18C19C20119.5°119.9°
C19C18H181120.0°120.0°
C18C19H191120.2°120.0°
C36C32C31114.1°110.0°
C36C32H321104.2°110.0°
C32C36H362110.1°110.5°
C32C36H361110.0°110.6°
C32C31C37130.9°126.1°
C32C31N30120.5°126.1°
C31C32H321103.6°110.1°
C19C20N21119.3°120.0°
C20C19H191120.3°120.1°
C20N21C22121.5°120.0°
C20N21H211119.3°120.0°
C37C31N30108.6°107.8°
C31C37C28105.2°107.9°
C31C37H371127.4°126.1°
C31N30N29110.1°108.1°
C31N30H301125.0°126.0°
N21C22N38119.6°119.2°
N21C22N23118.1°119.2°
C22N21H211119.3°120.0°
C37C28N29108.1°108.1°
C37C28N27131.8°126.0°
C28C37H371127.4°126.1°
N30N29C28108.0°108.1°
N29N30H301125.0°126.0°
N38C22N23122.3°121.6°
C22N38C26118.8°120.7°
C22N23C24120.3°121.0°
N38C26N27121.9°120.5°
N38C26C25121.3°119.0°
N29C28N27120.0°126.0°
C28N27C26124.8°120.0°
C28N27H271117.6°120.0°
N23C24C25120.3°119.3°
N23C24H241119.8°120.4°
N27C26C25116.7°120.5°
C26N27H271117.6°120.0°
C26C25C24117.0°118.5°
C26C25H251121.5°120.7°
C25C24H241119.9°120.3°
C24C25H251121.5°120.8°
H332C33H331109.5°109.9°
H341C34H342109.5°110.6°
H351C35H352109.4°110.8°
H362C36H361109.5°110.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
F12C09F10F11120.5°119.9°
F12C09F10C08121.1°120.0°
F12C09F11C08120.1°120.0°
F12C09C08C0710.1°120.0°
F12C09C08C13170.3°60.2°
F10C09F11C08119.4°120.1°
F10C09C08C07131.3°0.0°
F10C09C08C1349.1°179.8°
F11C09C08C07110.0°120.0°
F11C09C08C1369.6°59.8°
C09C08C07C13179.5°179.7°
C09C08C07C06179.8°180.0°
C09C08C13C04179.3°179.7°
C09C08C07H0710.1°0.3°
C09C08C13H1310.7°0.2°
C08C07C06H071180.0°179.7°
C08C07C06C050.6°0.0°
C07C08C13C040.2°0.5°
C08C07C06H061179.4°180.0°
C07C08C13H131179.8°180.0°
C06C07C08C130.3°0.3°
C07C06C05H061180.0°180.0°
C07C06C05C040.3°0.0°
C07C06C05H051179.7°180.0°
C08C13C04H131180.0°179.5°
C08C13C04C050.5°0.5°
C08C13C04N03179.5°179.8°
C13C08C07H071179.7°180.0°
C06C05C04C130.2°0.3°
C06C05C04H051180.0°180.0°
C06C05C04N03179.2°179.9°
C05C06C07H071179.4°179.7°
C13C04C05N03179.0°179.6°
C13C04N03C0215.4°146.9°
C13C04N03H031164.6°33.0°
C13C04C05H051179.8°179.8°
C05C04N03C02163.6°33.5°
C05C04N03H03116.4°146.6°
C04C05C06H061179.7°179.9°
C05C04C13H131179.6°180.0°
C04N03C02H031180.0°179.9°
C04N03C02O011.1°5.4°
C04N03C02N14179.5°174.4°
N03C04C05H0510.8°0.1°
N03C04C13H1310.5°0.3°
N03C02O01N14179.4°179.8°
N03C02N14C15179.3°175.1°
N03C02N14H1410.7°4.9°
O01C02N14C150.2°4.7°
O01C02N03H031179.0°174.5°
O01C02N14H141179.8°175.3°
C02N14C15H141180.0°179.9°
C02N14C15C1617.5°35.8°
C02N14C15C18162.6°144.4°
N14C02N03H0310.5°5.7°
N14C15C16C18179.9°179.7°
N14C15C16C17179.9°180.0°
N14C15C18C19179.9°180.0°
N14C15C16H1610.1°0.0°
N14C15C18H1810.1°0.0°
C35C34C33H341119.6°118.7°
C35C34C33H342119.6°118.7°
C34C35C36H351119.8°118.4°
C34C35C36H352119.8°118.3°
C35C34C33C3211.7°23.6°
C34C35C36C326.4°37.9°
C35C34C33H332107.8°95.7°
C35C34C33H331131.2°143.0°
C35C34H341H342121.3°122.6°
C34C35H351H352120.6°123.3°
C34C35C36H362126.0°80.7°
C34C35C36H361113.2°156.6°
C33C34C35C363.3°37.9°
C34C33C32H332119.5°119.3°
C34C33C32H331119.5°119.4°
C34C33C32C3616.1°0.0°
C34C33C32C31150.2°119.3°
C34C33C32H32194.9°119.3°
C34C33H332H331121.4°121.4°
C33C34H341H342121.3°122.6°
C33C34C35H351123.2°80.4°
C33C34C35H352116.5°156.3°
C15C16C17H161180.0°180.0°
C15C16C17C200.1°0.0°
C16C15C18C190.1°0.3°
C16C15N14H141162.5°144.2°
C15C16C17H171179.9°180.0°
C16C15C18H181179.9°179.7°
C17C16C15C180.1°0.3°
C16C17C20H171180.0°179.9°
C16C17C20C190.2°0.2°
C16C17C20N21179.3°180.0°
C35C36C32C3314.1°23.5°
C35C36C32H362119.6°118.6°
C35C36C32H361119.6°118.7°
C35C36C32C31150.9°142.8°
C35C36C32H32196.9°95.7°
C36C35C34H341122.9°156.6°
C36C35C34H342116.2°80.7°
C36C35H351H352120.6°123.3°
C35C36H362H361121.1°122.6°
C15C18C19H181180.0°180.0°
C15C18C19C200.1°0.0°
C18C15N14H14117.4°35.5°
C18C15C16H161179.9°179.8°
C15C18C19H191179.9°179.9°
C33C32C36C31136.8°119.3°
C33C32C36H321111.0°119.3°
C33C32C31H321115.2°121.4°
C33C32C31C3758.9°145.7°
C33C32C31N30119.7°34.8°
C32C33H332H331121.4°121.4°
C32C33C34H341131.3°142.3°
C32C33C34H342107.9°95.1°
C33C32C36H362133.7°95.1°
C33C32C36H361105.5°142.2°
C17C20C19C180.2°0.2°
C17C20C19N21179.1°179.8°
C17C20N21C2295.9°146.6°
C20C17C16H161179.9°180.0°
C17C20C19H191179.8°179.7°
C17C20N21H21184.1°33.4°
C18C19C20H191180.0°179.9°
C18C19C20N21179.3°180.0°
C36C32C31H321112.6°121.4°
C36C32C31C3773.2°97.1°
C36C32C31N30108.2°82.4°
C36C32C33H332103.4°119.3°
C36C32C33H331135.6°119.4°
C32C36C35H351113.4°80.5°
C32C36C35H352126.2°156.2°
C32C36H362H361121.1°122.7°
C32C31C37N30178.8°179.6°
C32C31C37C28179.1°180.0°
C32C31N30N29179.9°179.9°
C32C31N30H3010.1°0.2°
C31C32C33H33230.7°121.4°
C31C32C33H33190.3°0.1°
C31C32C36H36289.5°24.2°
C31C32C36H36131.3°98.5°
C32C31C37H3710.9°0.4°
C19C20N21C2285.0°33.6°
C19C20C17H171179.7°179.7°
C20C19C18H181180.0°180.0°
C19C20N21H21195.0°146.4°
C20N21C22H211180.0°180.0°
C20N21C22N385.6°174.4°
C20N21C22N23175.1°5.9°
N21C20C17H1710.7°0.0°
N21C20C19H1910.7°0.1°
C31C37C28H371180.0°179.6°
C37C31N30N291.0°0.3°
C31C37C28N290.4°0.4°
C31C37C28N27179.4°179.8°
C37C31N30H301179.0°179.8°
C37C31C32H321174.2°24.3°
N30C31C37C280.4°0.4°
C31N30N29H301180.0°180.0°
C31N30N29C281.3°0.0°
N30C31C32H3214.4°156.2°
N30C31C37H371179.6°180.0°
N21C22N38N23179.3°179.7°
N21C22N38C26179.8°179.8°
N21C22N23C24179.9°179.9°
C37C28N29N301.1°0.2°
C37C28N29N27179.1°179.8°
C37C28N27C262.2°7.0°
C37C28N27H271177.8°173.1°
N30N29C28N27179.8°180.0°
N38C22N23C240.6°0.2°
C22N38C26N27179.4°179.7°
C22N38C26C250.9°0.6°
N38C22N21H211174.4°5.6°
N23C22N38C260.9°0.6°
C22N23C24C250.3°0.1°
N23C22N21H2114.9°174.1°
C22N23C24H241179.7°180.0°
N38C26N27C289.6°6.0°
N38C26N27C25178.6°179.7°
N38C26C25C240.6°0.3°
N38C26C25H251179.4°179.8°
N38C26N27H271170.4°173.9°
N29C28N27C26176.7°172.8°
N29C28N27H2713.3°7.2°
C28N29N30H301178.7°180.0°
N29C28C37H371179.6°180.0°
C28N27C26H271180.0°179.9°
C28N27C26C25171.8°174.3°
N27C28C37H3710.6°0.2°
N23C24C25C260.3°0.1°
N23C24C25H241180.0°179.9°
N23C24C25H251179.7°179.9°
N27C26C25C24179.2°180.0°
N27C26C25H2510.7°0.1°
C26C25C24H251180.0°180.0°
C26C25C24H241179.7°180.0°
C25C26N27H2718.2°5.8°
H051C05C06H0610.3°0.0°
H061C06C07H0710.6°0.2°
H161C16C17H1710.1°0.1°
H181C18C19H1910.1°0.1°
H241C24C25H2510.3°0.0°
H321C32C33H332145.6°0.1°
H321C32C33H33124.6°121.3°
H321C32C36H36222.7°145.6°
H321C32C36H361143.5°22.9°
H332C33C34H34111.7°22.9°
H332C33C34H342132.6°145.6°
H331C33C34H341109.2°98.3°
H331C33C34H34211.7°24.3°
H341C34C35H351117.3°38.3°
H341C34C35H3523.1°85.0°
H342C34C35H3513.6°161.0°
H342C34C35H352124.0°37.6°
H351C35C36H3626.2°160.9°
H351C35C36H361127.0°38.3°
H352C35C36H362114.2°37.6°
H352C35C36H3616.6°85.0°

222624

PDB entries from 2024-07-17

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