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464

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C38N37sing1.47Å1.49Å
C38C39sing1.53Å1.54Å
C38H381sing1.10Å1.10Å
C38H382sing1.10Å1.10Å
C39C40sing1.52Å1.53Å
C39H391sing1.10Å1.10Å
C39H392sing1.10Å1.10Å
C40C41sing1.52Å1.53Å
C40H401sing1.10Å1.10Å
C40H402sing1.09Å1.10Å
C41C42sing1.53Å1.54Å
C41H411sing1.10Å1.10Å
C41H412sing1.10Å1.10Å
C42N37sing1.47Å1.49Å
C42H421sing1.10Å1.10Å
C42H422sing1.10Å1.10Å
N37C36sing1.46Å1.49Å
C36C35sing1.52Å1.55Å
C36H361sing1.10Å1.10Å
C36H362sing1.09Å1.10Å
C35N33sing1.45Å1.48Å
C35H351sing1.09Å1.10Å
C35H352sing1.09Å1.10Å
N33C31sing1.40Å1.34Å
N33HN33sing1.01Å1.00Å
C31C29sing1.45Å1.55Å
C31O32doub1.24Å1.23Å
C29C30sing1.39Å1.42ÅAromatic
C29C28doub1.40Å1.40ÅAromatic
C30C25doub1.40Å1.42ÅAromatic
C30H30sing1.09Å1.08Å
C28C27sing1.39Å1.40ÅAromatic
C28H28sing1.09Å1.08Å
C27C26doub1.40Å1.40ÅAromatic
C27H27sing1.09Å1.08Å
C26C25sing1.40Å1.41ÅAromatic
C26H26sing1.09Å1.08Å
C25C23sing1.43Å1.42Å
C23C24sing1.42Å1.34Å
C23C22doub1.38Å1.34Å
C24C19doub1.35Å1.34Å
C24H24sing1.08Å1.08Å
C22N20sing1.37Å1.33Å
C22H22sing1.08Å1.08Å
N20C19sing1.35Å1.33Å
N20HN20sing1.01Å1.00Å
C19C18sing1.51Å1.41Å
C18C4sing1.48Å1.42Å
C18H181sing1.10Å1.10Å
C18H182sing1.10Å1.10Å
C4C6doub1.33Å1.39Å
C4C2sing1.49Å1.39Å
C6C5sing1.47Å1.41ÅAromatic
C6C7sing1.43Å1.41ÅAromatic
C7C8doub1.34Å1.41ÅAromatic
C7H7sing1.08Å1.08Å
C2N1sing1.38Å1.34Å
C2O3doub1.22Å1.23Å
N1C5doub1.29Å1.35Å
C5C10sing1.48Å1.40ÅAromatic
C10C9doub1.34Å1.41ÅAromatic
C10H10sing1.08Å1.08Å
C9C8sing1.46Å1.42ÅAromatic
C9H9sing1.09Å1.08Å
C8N11sing1.37Å1.36Å
N11C13sing1.39Å1.36Å
N11HN11sing1.01Å1.00Å
C13O17doub1.23Å1.24Å
C13N14sing1.38Å1.33Å
N14H141sing1.02Å1.00Å
N14H142sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N37C38C39109.6°111.1°
N37C38H381109.4°109.6°
N37C38H382109.4°110.7°
C38N37C42111.9°111.2°
C38N37C36110.7°110.4°
C39C38H381109.4°108.3°
C39C38H382109.4°109.7°
C38C39C40110.2°111.3°
C38C39H391109.2°109.5°
C38C39H392109.1°109.7°
H381C38H382109.6°107.3°
C40C39H391109.3°109.5°
C40C39H392109.1°109.7°
C39C40C41110.4°110.5°
C39C40H401109.2°109.5°
C39C40H402109.0°110.1°
H391C39H392110.0°107.0°
C41C40H401109.2°109.5°
C41C40H402108.9°110.1°
C40C41C42110.4°111.4°
C40C41H411109.2°109.7°
C40C41H412109.0°109.5°
H401C40H402110.2°107.1°
C42C41H411109.2°109.7°
C42C41H412109.0°109.6°
C41C42N37109.3°111.1°
C41C42H421109.5°109.8°
C41C42H422109.6°108.4°
H411C41H412110.2°106.9°
N37C42H421109.5°110.8°
N37C42H422109.5°109.4°
C42N37C36112.1°110.5°
H421C42H422109.4°107.3°
N37C36C35113.9°112.2°
N37C36H361108.0°107.4°
N37C36H362107.0°107.1°
C35C36H361108.0°111.3°
C35C36H362107.0°110.1°
C36C35N33111.3°112.0°
C36C35H351108.9°110.3°
C36C35H352108.5°111.4°
H361C36H362113.0°108.5°
N33C35H351108.9°107.0°
N33C35H352108.4°107.5°
C35N33C31122.6°123.6°
C35N33HN33118.7°117.0°
H351C35H352110.9°108.5°
C31N33HN33118.7°119.3°
N33C31C29115.8°117.0°
N33C31O32123.6°122.5°
C29C31O32120.6°120.5°
C31C29C30121.2°120.0°
C31C29C28119.1°119.9°
C30C29C28119.7°120.0°
C29C30C25120.2°120.1°
C29C30H30119.9°119.8°
C29C28C27120.4°120.0°
C29C28H28119.8°120.6°
C25C30H30119.9°120.2°
C30C25C26119.1°119.8°
C30C25C23121.4°120.1°
C27C28H28119.8°119.4°
C28C27C26120.1°120.0°
C28C27H27119.9°120.0°
C26C27H27119.9°120.0°
C27C26C25120.6°120.1°
C27C26H26119.7°119.1°
C25C26H26119.7°120.8°
C26C25C23119.4°120.0°
C25C23C24126.3°129.7°
C25C23C22126.5°122.9°
C24C23C22107.2°107.4°
C23C24C19108.6°106.2°
C23C24H24125.7°127.2°
C23C22N20108.3°107.9°
C23C22H22125.8°131.9°
C19C24H24125.7°126.6°
C24C19N20107.4°110.3°
C24C19C18119.4°129.6°
N20C22H22125.9°120.2°
C22N20C19108.5°108.3°
C22N20HN20125.8°125.1°
C19N20HN20125.8°126.6°
N20C19C18133.1°120.1°
C19C18C4125.2°113.1°
C19C18H181104.5°109.0°
C19C18H182100.8°109.6°
C4C18H181104.6°109.9°
C4C18H182100.8°109.7°
C18C4C6124.5°130.7°
C18C4C2128.8°122.3°
H181C18H182122.9°105.4°
C6C4C2106.7°107.0°
C4C6C5106.3°104.3°
C4C6C7133.4°134.4°
C4C2N1109.5°108.7°
C4C2O3126.4°124.1°
C5C6C7120.2°121.3°
C6C5N1108.6°114.4°
C6C5C10119.6°117.3°
C6C7C8120.5°118.9°
C6C7H7119.7°119.2°
C8C7H7119.8°122.0°
C7C8C9118.9°121.1°
C7C8N11118.0°121.2°
N1C2O3124.1°127.2°
C2N1C5108.9°105.7°
N1C5C10131.8°128.3°
C5C10C9120.2°118.3°
C5C10H10119.9°119.2°
C9C10H10119.9°122.5°
C10C9C8120.6°123.1°
C10C9H9119.7°119.0°
C8C9H9119.7°117.9°
C9C8N11123.0°117.7°
C8N11C13127.2°123.8°
C8N11HN11116.4°117.2°
C13N11HN11116.4°119.0°
N11C13O17123.8°125.6°
N11C13N14115.6°111.7°
O17C13N14120.5°122.7°
C13N14H141112.5°119.4°
C13N14H142123.8°121.2°
H141N14H142123.7°119.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N37C38C39H381120.0°120.4°
N37C38C39H382119.9°122.8°
N37C38H381H382120.0°120.3°
N37C38C39C4057.2°55.8°
N37C38C39H391177.3°65.4°
N37C38C39H39262.5°177.5°
C38N37C42C4160.6°59.0°
C38N37C42C36125.1°123.0°
C38N37C42H42159.4°63.3°
C38N37C42H422179.3°178.6°
C38N37C36C3557.8°62.7°
C38N37C36H361177.8°59.9°
C38N37C36H36260.3°176.4°
C39C38H381H382119.9°118.4°
C38C39C40H391120.0°121.2°
C38C39C40H392119.7°121.6°
C38C39H391H392119.7°118.9°
C38C39C40C4155.5°52.3°
C38C39C40H40164.5°68.3°
C38C39C40H402175.1°174.2°
C39C38N37C4260.7°59.0°
C39C38N37C36173.4°178.0°
H381C38C39C4062.8°176.2°
H381C38C39H39157.3°55.0°
H381C38C39H392177.5°62.2°
H381C38N37C4259.3°178.7°
H381C38N37C3666.6°58.3°
H382C38C39C40177.2°66.9°
H382C38C39H39162.8°171.9°
H382C38C39H39257.5°54.7°
H382C38N37C42179.4°63.2°
H382C38N37C3653.5°59.8°
C40C39H391H392119.7°118.8°
C39C40C41H401120.0°120.6°
C39C40C41H402119.6°121.9°
C39C40H401H402119.6°119.4°
C39C40C41C4255.7°52.3°
C39C40C41H411175.7°174.0°
C39C40C41H41263.9°69.0°
H391C39C40C41175.6°68.9°
H391C39C40H40155.5°170.4°
H391C39C40H40264.9°52.9°
H392C39C40C4164.2°173.9°
H392C39C40H401175.8°53.3°
H392C39C40H40255.4°64.2°
C41C40H401H402119.6°119.4°
C40C41C42H411120.0°121.6°
C40C41C42H412119.6°121.3°
C40C41H411H412119.6°118.6°
C40C41C42N3757.4°55.9°
C40C41C42H42162.6°67.0°
C40C41C42H422177.4°176.1°
H401C40C41C4264.3°68.3°
H401C40C41H41155.7°53.3°
H401C40C41H412176.1°170.4°
H402C40C41C42175.3°174.2°
H402C40C41H41164.7°64.1°
H402C40C41H41255.7°52.9°
C42C41H411H412119.6°118.8°
C41C42N37H421120.0°122.3°
C41C42N37H422120.1°119.6°
C41C42H421H422120.1°117.6°
C41C42N37C36174.3°178.0°
H411C41C42N37177.4°177.5°
H411C41C42H42157.4°54.6°
H411C41C42H42262.5°62.3°
H412C41C42N3762.2°65.4°
H412C41C42H421177.8°171.7°
H412C41C42H42257.8°54.8°
N37C42H421H422120.0°119.4°
C42N37C36C3568.0°173.9°
C42N37C36H36152.0°63.4°
C42N37C36H362174.0°53.0°
H421C42N37C3665.7°59.7°
H422C42N37C3654.2°58.4°
N37C36C35H361120.0°120.4°
N37C36C35H362118.0°119.2°
N37C36H361H362118.2°115.5°
N37C36C35N3386.5°179.1°
N37C36C35H351153.5°60.0°
N37C36C35H35232.7°60.5°
C35C36H361H362118.2°121.3°
C36C35N33H351120.0°121.0°
C36C35N33H352119.2°122.7°
C36C35H351H352119.3°122.2°
C36C35N33C31128.8°90.0°
C36C35N33HN3351.2°94.1°
H361C36C35N3333.4°60.5°
H361C36C35H35186.6°179.6°
H361C36C35H352152.7°59.9°
H362C36C35N33155.4°60.0°
H362C36C35H35135.4°59.1°
H362C36C35H35285.3°179.6°
N33C35H351H352119.2°115.7°
C35N33C31HN33180.0°175.9°
C35N33C31C29179.5°178.9°
C35N33C31O321.2°0.0°
H351C35N33C31111.2°149.0°
H351C35N33HN3368.8°26.9°
H352C35N33C319.5°32.7°
H352C35N33HN33170.5°143.3°
N33C31C29O32179.3°178.9°
N33C31C29C3019.3°27.0°
N33C31C29C28161.4°153.0°
HN33N33C31C290.5°3.1°
HN33N33C31O32178.8°175.8°
C31C29C30C28179.2°179.9°
C31C29C30C25179.5°180.0°
C31C29C30H300.5°0.1°
C31C29C28C27179.6°179.9°
C31C29C28H280.5°0.0°
O32C31C29C30161.3°154.1°
O32C31C29C2817.9°26.0°
C29C30C25H30180.0°179.9°
C30C29C28C270.3°0.0°
C30C29C28H28179.7°180.0°
C29C30C25C260.0°0.1°
C29C30C25C23176.8°180.0°
C28C29C30C250.2°0.1°
C28C29C30H30179.8°180.0°
C29C28C27H28180.0°180.0°
C29C28C27C260.1°0.0°
C29C28C27H27179.9°180.0°
C30C25C26C270.2°0.0°
C30C25C26C23177.0°180.0°
C30C25C26H26179.8°179.9°
C30C25C23C24151.8°30.0°
C30C25C23C2229.1°150.0°
H30C30C25C26180.0°180.0°
H30C30C25C233.1°0.0°
C28C27C26H27180.0°180.0°
C28C27C26C250.1°0.1°
C28C27C26H26179.9°180.0°
H28C28C27C26179.9°180.0°
H28C28C27H270.1°0.0°
C27C26C25H26180.0°179.9°
C27C26C25C23176.7°180.0°
H27C27C26C25179.9°180.0°
H27C27C26H260.1°0.0°
C26C25C23C2431.3°150.0°
C26C25C23C22147.8°30.0°
H26C26C25C233.2°0.0°
C25C23C24C22179.2°180.0°
C25C23C24C19178.6°180.0°
C25C23C24H241.5°0.0°
C25C23C22N20178.7°180.0°
C25C23C22H221.3°0.1°
C23C24C19H24180.0°180.0°
C24C23C22N200.5°0.0°
C24C23C22H22179.5°179.9°
C23C24C19N200.5°0.0°
C23C24C19C18179.8°179.9°
C22C23C24C190.7°0.0°
C22C23C24H24179.3°180.0°
C23C22N20H22180.0°179.9°
C23C22N20C190.2°0.0°
C23C22N20HN20179.8°180.0°
C24C19N20C220.2°0.0°
C24C19N20C18179.6°179.9°
C24C19N20HN20179.8°180.0°
C24C19C18C4179.3°89.9°
C24C19C18H18159.3°147.6°
C24C19C18H18269.0°32.8°
H24C24C19N20179.4°180.0°
H24C24C19C180.2°0.1°
C22N20C19HN20180.0°180.0°
C22N20C19C18179.8°179.9°
H22C22N20C19179.8°179.9°
H22C22N20HN200.2°0.1°
N20C19C18C41.1°90.0°
N20C19C18H181121.2°32.5°
N20C19C18H182110.5°147.3°
HN20N20C19C180.2°0.0°
C19C18C4H181120.0°122.0°
C19C18C4H182111.7°122.6°
C19C18H181H182113.5°117.5°
C19C18C4C6178.4°88.0°
C19C18C4C20.5°92.0°
C4C18H181H182113.5°118.1°
C18C4C6C2179.1°180.0°
C18C4C6C5179.2°180.0°
C18C4C6C73.6°0.0°
C18C4C2N1179.3°180.0°
C18C4C2O31.0°0.0°
H181C18C4C661.6°150.0°
H181C18C4C2119.5°30.0°
H182C18C4C666.7°34.6°
H182C18C4C2112.1°145.4°
C4C6C5C7176.3°179.9°
C4C6C7C8174.4°180.0°
C4C6C7H75.6°0.1°
C6C4C2N10.3°0.0°
C6C4C2O3180.0°180.0°
C4C6C5N10.0°0.1°
C4C6C5C10176.8°180.0°
C2C4C6C50.2°0.0°
C2C4C6C7175.4°179.9°
C4C2N1O3179.8°179.9°
C4C2N1C50.2°0.1°
C5C6C7C80.7°0.1°
C5C6C7H7179.3°180.0°
C6C5N1C20.1°0.1°
C6C5N1C10176.3°179.9°
C6C5C10C91.0°0.1°
C6C5C10H10178.9°180.0°
C6C7C8H7180.0°180.0°
C7C6C5N1176.3°180.0°
C7C6C5C100.5°0.1°
C6C7C8C91.4°0.0°
C6C7C8N11176.8°180.0°
C7C8C9C100.9°0.0°
C7C8C9N11178.1°180.0°
C7C8C9H9179.1°180.0°
C7C8N11C13178.2°30.1°
C7C8N11HN111.8°150.0°
H7C7C8C9178.6°180.0°
H7C7C8N113.2°0.0°
C2N1C5C10176.1°180.0°
O3C2N1C5180.0°180.0°
N1C5C10C9174.9°180.0°
N1C5C10H105.1°0.0°
C5C10C9H10180.0°180.0°
C5C10C9C80.3°0.0°
C5C10C9H9179.7°180.0°
C10C9C8H9180.0°180.0°
C10C9C8N11177.2°180.0°
H10C10C9C8179.7°180.0°
H10C10C9H90.3°0.0°
C9C8N11C130.2°150.0°
C9C8N11HN11179.8°30.0°
H9C9C8N112.8°0.0°
C8N11C13HN11180.0°180.0°
C8N11C13O174.0°0.0°
C8N11C13N14179.4°180.0°
N11C13O17N14176.5°180.0°
N11C13N14H1411.5°0.1°
N11C13N14H142178.6°179.9°
HN11N11C13O17176.0°180.0°
HN11N11C13N140.6°0.0°
O17C13N14H141178.2°180.0°
O17C13N14H1421.8°0.1°
C13N14H141H142180.0°179.9°

224004

PDB entries from 2024-08-21

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