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547

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N2doub1.35Å1.36ÅAromatic
C1C6sing1.39Å1.42ÅAromatic
C1H1sing1.09Å1.08Å
N2C3sing1.35Å1.39ÅAromatic
C3O9sing1.36Å1.36ÅAromatic
C3C4doub1.39Å1.42ÅAromatic
C4C11sing1.42Å1.39ÅAromatic
C4C5sing1.41Å1.47ÅAromatic
C5C6doub1.40Å1.44ÅAromatic
C5N34sing1.39Å1.38Å
C6H6sing1.09Å1.08Å
O9C10sing1.36Å1.38ÅAromatic
C10C23sing1.44Å1.50ÅAromatic
C10C11doub1.37Å1.52ÅAromatic
C11C12sing1.43Å1.48ÅAromatic
C12C13doub1.40Å1.44ÅAromatic
C12C17sing1.40Å1.45ÅAromatic
C13C14sing1.39Å1.43ÅAromatic
C13H13sing1.09Å1.08Å
C14C15doub1.40Å1.44ÅAromatic
C14H14sing1.09Å1.08Å
C15C16sing1.40Å1.45ÅAromatic
C15H15sing1.09Å1.08Å
C16C17doub1.39Å1.43ÅAromatic
C16H16sing1.09Å1.08Å
C17H17sing1.09Å1.08Å
C23C24sing1.40Å1.44ÅAromatic
C23C28doub1.40Å1.45ÅAromatic
C24C25doub1.39Å1.44ÅAromatic
C24H24sing1.09Å1.08Å
C25C26sing1.39Å1.45ÅAromatic
C25H25sing1.09Å1.08Å
C26C27doub1.39Å1.43ÅAromatic
C26H26sing1.09Å1.08Å
C27C28sing1.40Å1.42ÅAromatic
C27H27sing1.09Å1.08Å
C28H28sing1.09Å1.08Å
N34C35sing1.44Å1.46Å
N34HN34sing1.02Å1.00Å
C35C36sing1.52Å1.53Å
C35H351sing1.09Å1.10Å
C35H352sing1.10Å1.10Å
C36N39sing1.46Å1.48Å
C36H361sing1.09Å1.10Å
C36H362sing1.09Å1.10Å
N39C46sing1.47Å1.49Å
N39C42sing1.47Å1.49Å
C42C43sing1.53Å1.54Å
C42H421sing1.10Å1.10Å
C42H422sing1.10Å1.10Å
C43N44sing1.46Å1.49Å
C43H431sing1.10Å1.10Å
C43H432sing1.10Å1.10Å
N44C45sing1.46Å1.50Å
N44HN44sing1.02Å1.00Å
C45C46sing1.53Å1.54Å
C45H451sing1.10Å1.10Å
C45H452sing1.10Å1.10Å
C46H461sing1.10Å1.10Å
C46H462sing1.10Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N2C1C6120.4°126.0°
N2C1H1119.8°114.4°
C1N2C3122.5°113.0°
C6C1H1119.8°119.7°
C1C6C5119.5°119.5°
C1C6H6120.2°120.1°
N2C3O9127.0°123.3°
N2C3C4121.1°126.9°
O9C3C4111.9°109.8°
C3O9C10105.8°107.0°
C3C4C11109.4°106.1°
C3C4C5117.8°118.3°
C11C4C5132.8°135.7°
C4C11C10102.1°106.3°
C4C11C12126.5°130.3°
C4C5C6118.8°116.4°
C4C5N34119.8°123.3°
C6C5N34121.4°120.3°
C5C6H6120.3°120.5°
C5N34C35123.1°123.9°
C5N34HN34105.1°117.7°
O9C10C23121.3°114.6°
O9C10C11110.8°110.8°
C23C10C11127.9°134.6°
C10C23C24118.3°120.2°
C10C23C28122.5°120.2°
C10C11C12131.5°123.4°
C11C12C13120.3°120.0°
C11C12C17118.8°120.1°
C13C12C17120.9°119.9°
C12C13C14119.5°120.0°
C12C13H13120.3°120.8°
C12C17C16119.8°120.0°
C12C17H17120.1°120.8°
C14C13H13120.2°119.1°
C13C14C15119.7°120.0°
C13C14H14120.1°120.0°
C15C14H14120.1°120.0°
C14C15C16120.9°119.9°
C14C15H15119.6°120.0°
C16C15H15119.5°120.1°
C15C16C17119.2°120.1°
C15C16H16120.4°119.9°
C17C16H16120.4°120.0°
C16C17H17120.1°119.1°
C24C23C28119.2°119.6°
C23C24C25119.7°120.2°
C23C24H24120.2°120.7°
C23C28C27121.4°120.2°
C23C28H28119.3°120.8°
C25C24H24120.2°119.1°
C24C25C26120.1°120.0°
C24C25H25120.0°120.0°
C26C25H25120.0°120.1°
C25C26C27120.7°120.1°
C25C26H26119.6°120.0°
C27C26H26119.7°119.9°
C26C27C28118.9°120.0°
C26C27H27120.5°120.0°
C28C27H27120.5°120.0°
C27C28H28119.3°119.1°
C35N34HN34105.2°118.4°
N34C35C36112.8°112.0°
N34C35H351108.4°107.1°
N34C35H352107.7°107.5°
C36C35H351108.4°110.3°
C36C35H352107.6°111.4°
C35C36N39115.2°112.2°
C35C36H361107.6°111.5°
C35C36H362106.3°110.1°
H351C35H352112.1°108.5°
N39C36H361107.6°107.4°
N39C36H362106.3°107.0°
C36N39C46110.7°110.8°
C36N39C42105.9°110.9°
H361C36H362114.1°108.6°
C46N39C42110.3°110.6°
N39C46C45109.0°110.8°
N39C46H461109.7°109.6°
N39C46H462109.7°110.7°
N39C42C43110.2°110.7°
N39C42H421109.2°110.6°
N39C42H422109.1°109.6°
C43C42H421109.2°109.8°
C43C42H422109.1°108.6°
C42C43N44109.1°111.8°
C42C43H431109.6°110.3°
C42C43H432109.7°109.2°
H421C42H422110.0°107.4°
N44C43H431109.6°109.9°
N44C43H432109.7°108.7°
C43N44C45111.8°110.0°
C43N44HN44108.7°109.6°
H431C43H432109.2°106.9°
C45N44HN44108.7°109.5°
N44C45C46108.4°111.7°
N44C45H451109.8°108.8°
N44C45H452110.0°109.9°
C46C45H451109.8°109.1°
C46C45H452110.1°110.2°
C45C46H461109.6°108.6°
C45C46H462109.8°109.7°
H451C45H452108.7°106.9°
H461C46H462109.0°107.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C1C6H1180.0°180.0°
C1N2C3O9180.0°180.0°
C1N2C3C40.8°0.0°
N2C1C6C51.0°0.0°
N2C1C6H6179.0°179.9°
C6C1N2C31.2°0.0°
C1C6C5C40.6°0.1°
C1C6C5H6180.0°179.9°
C1C6C5N34180.0°180.0°
H1C1N2C3178.8°180.0°
H1C1C6C5179.0°179.9°
H1C1C6H61.0°0.0°
N2C3O9C4179.2°180.0°
N2C3C4C11179.9°180.0°
N2C3C4C50.3°0.0°
N2C3O9C10179.9°180.0°
O9C3C4C110.6°0.0°
O9C3C4C5179.6°180.0°
C3O9C10C23179.7°179.9°
C3O9C10C110.5°0.0°
C3C4C11C5179.7°179.9°
C3C4C5C60.2°0.1°
C3C4C5N34179.7°179.9°
C4C3O9C100.7°0.0°
C3C4C11C100.3°0.0°
C3C4C11C12179.6°179.9°
C11C4C5C6179.9°180.0°
C11C4C5N340.6°0.1°
C4C11C10O90.1°0.0°
C4C11C10C23179.9°179.9°
C4C11C10C12179.9°179.9°
C4C11C12C13108.4°90.0°
C4C11C12C1772.4°89.9°
C4C5C6N34179.4°179.9°
C4C5C6H6179.4°180.0°
C5C4C11C10180.0°180.0°
C5C4C11C120.1°0.2°
C4C5N34C35179.8°179.9°
C4C5N34HN3460.2°0.2°
C6C5N34C350.8°0.1°
C6C5N34HN34119.2°179.9°
N34C5C6H60.0°0.1°
C5N34C35HN34120.0°179.8°
C5N34C35C36179.7°179.0°
C5N34C35H35160.3°60.0°
C5N34C35H35261.1°56.4°
O9C10C23C11179.7°179.9°
O9C10C11C12180.0°179.9°
O9C10C23C2413.2°89.9°
O9C10C23C28167.6°90.1°
C23C10C11C120.3°0.0°
C10C23C24C28179.3°180.0°
C10C23C24C25179.4°180.0°
C10C23C24H240.6°0.1°
C10C23C28C27179.2°180.0°
C10C23C28H280.8°0.0°
C10C11C12C1371.4°89.9°
C10C11C12C17107.8°90.2°
C11C10C23C24167.1°90.0°
C11C10C23C2812.2°90.0°
C11C12C13C17179.2°179.9°
C11C12C13C14179.2°179.9°
C11C12C13H130.8°0.1°
C11C12C17C16179.3°179.9°
C11C12C17H170.7°0.1°
C12C13C14H13180.0°180.0°
C12C13C14C150.1°0.1°
C12C13C14H14179.9°180.0°
C13C12C17C160.1°0.0°
C13C12C17H17179.9°180.0°
C17C12C13C140.0°0.0°
C17C12C13H13180.0°180.0°
C12C17C16C150.2°0.0°
C12C17C16H17180.0°180.0°
C12C17C16H16179.8°179.9°
C13C14C15H14180.0°180.0°
C13C14C15C160.3°0.1°
C13C14C15H15179.7°180.0°
H13C13C14C15179.9°180.0°
H13C13C14H140.1°0.0°
C14C15C16H15180.0°180.0°
C14C15C16C170.3°0.1°
C14C15C16H16179.7°180.0°
H14C14C15C16179.7°179.9°
H14C14C15H150.3°0.0°
C15C16C17H16180.0°179.9°
C15C16C17H17179.8°179.9°
H15C15C16C17179.7°180.0°
H15C15C16H160.3°0.1°
H16C16C17H170.2°0.0°
C23C24C25H24180.0°179.9°
C23C24C25C260.4°0.0°
C23C24C25H25179.6°179.9°
C24C23C28C270.0°0.0°
C24C23C28H28180.0°180.0°
C28C23C24C250.1°0.0°
C28C23C24H24179.9°180.0°
C23C28C27C260.1°0.0°
C23C28C27H28180.0°180.0°
C23C28C27H27179.9°180.0°
C24C25C26H25180.0°179.9°
C24C25C26C270.5°0.0°
C24C25C26H26179.5°180.0°
H24C24C25C26179.6°180.0°
H24C24C25H250.4°0.0°
C25C26C27H26180.0°180.0°
C25C26C27C280.4°0.0°
C25C26C27H27179.7°179.9°
H25C25C26C27179.5°179.9°
H25C25C26H260.5°0.1°
C26C27C28H27180.0°179.9°
C26C27C28H28179.9°180.0°
H26C26C27C28179.6°180.0°
H26C26C27H270.3°0.0°
H27C27C28H280.0°0.0°
N34C35C36H351120.0°119.1°
N34C35C36H352118.6°120.4°
N34C35H351H352118.7°115.7°
N34C35C36N3946.0°179.1°
N34C35C36H361166.0°60.5°
N34C35C36H36271.5°60.1°
HN34N34C35C3659.7°0.9°
HN34N34C35H351179.7°120.1°
HN34N34C35H35258.8°123.5°
C36C35H351H352118.7°122.2°
C35C36N39H361120.0°122.8°
C35C36N39H362117.4°120.8°
C35C36H361H362117.6°121.4°
C35C36N39C4680.4°59.6°
C35C36N39C42160.0°177.3°
H351C35C36N3974.0°60.0°
H351C35C36H36146.0°179.6°
H351C35C36H362168.5°59.1°
H352C35C36N39164.6°60.5°
H352C35C36H36175.4°59.9°
H352C35C36H36247.1°179.6°
N39C36H361H362117.7°115.4°
C36N39C46C42116.9°123.3°
C36N39C42C43179.7°179.6°
C36N39C42H42159.7°57.6°
C36N39C42H42260.6°60.6°
C36N39C46C45178.1°179.6°
C36N39C46H46158.1°60.7°
C36N39C46H46261.7°57.6°
H361C36N39C4639.5°63.2°
H361C36N39C4280.0°60.0°
H362C36N39C46162.1°179.6°
H362C36N39C4242.6°56.4°
C46N39C42C4359.9°56.3°
C46N39C42H42160.1°65.7°
C46N39C42H422179.6°176.1°
N39C46C45N4459.9°56.6°
N39C46C45H461120.0°120.4°
N39C46C45H462120.2°122.5°
N39C46C45H45160.1°176.9°
N39C46C45H452179.7°65.9°
N39C46H461H462120.2°120.3°
N39C42C43H421120.0°122.5°
N39C42C43H422119.7°120.4°
N39C42H421H422119.7°119.5°
N39C42C43N4456.9°56.6°
N39C42C43H43163.1°65.9°
N39C42C43H432177.1°176.9°
C42N39C46C4561.2°56.2°
C42N39C46H46158.8°176.0°
C42N39C46H462178.5°65.7°
C43C42H421H422119.7°117.9°
C42C43N44H431120.0°122.8°
C42C43N44H432120.1°120.5°
C42C43H431H432120.2°118.6°
C42C43N44C4557.7°55.9°
C42C43N44HN44177.8°176.4°
H421C42C43N4463.1°65.8°
H421C42C43H431177.0°171.6°
H421C42C43H43257.1°54.4°
H422C42C43N44176.6°177.0°
H422C42C43H43156.7°54.5°
H422C42C43H43263.2°62.7°
N44C43H431H432120.1°117.8°
C43N44C45HN44120.0°120.5°
C43N44C45C4659.4°55.9°
C43N44C45H45160.6°176.4°
C43N44C45H452179.8°66.8°
H431C43N44C4562.3°66.9°
H431C43N44HN4457.7°53.6°
H432C43N44C45177.9°176.5°
H432C43N44HN4462.1°63.0°
N44C45C46H451120.0°120.3°
N44C45C46H452120.4°122.5°
N44C45H451H452120.4°118.6°
N44C45C46H46160.2°177.0°
N44C45C46H462179.9°66.0°
HN44N44C45C46179.4°176.4°
HN44N44C45H45159.4°63.1°
HN44N44C45H45260.2°53.7°
C46C45H451H452120.4°119.2°
C45C46H461H462120.2°118.6°
H451C45C46H461179.9°62.7°
H451C45C46H46260.1°54.4°
H452C45C46H46160.3°54.4°
H452C45C46H46259.5°171.5°

225946

PDB entries from 2024-10-09

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