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711

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C1doub1.30Å1.26Å
N1HN1sing0.97Å1.02Å
C1N2sing1.38Å1.38Å
C1C2sing1.48Å1.34Å
N2HN21sing0.97Å1.02Å
N2HN2Asing0.97Å1.02Å
C2C3doub1.38Å1.40ÅAromatic
C2C11sing1.41Å1.42ÅAromatic
C3C4sing1.40Å1.41ÅAromatic
C3H3sing1.08Å1.10Å
C4C5doub1.41Å1.36ÅAromatic
C4C9sing1.42Å1.41ÅAromatic
C5C6sing1.36Å1.42ÅAromatic
C5H5sing1.08Å1.10Å
C6C7doub1.39Å1.40ÅAromatic
C6C12sing1.51Å1.43Å
C7C8sing1.36Å1.40ÅAromatic
C7H7sing1.08Å1.10Å
C8C9doub1.41Å1.36ÅAromatic
C8H8sing1.08Å1.10Å
C9C10sing1.41Å1.41ÅAromatic
C10C11doub1.36Å1.40ÅAromatic
C10H10sing1.08Å1.10Å
C11H11sing1.08Å1.10Å
C12N21sing1.47Å1.47Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.11Å
N21C21doub1.30Å1.51ÅAromatic
N21C28sing1.36Å1.38ÅAromatic
C21C22sing1.51Å1.43Å
C21N22sing1.36Å1.33ÅAromatic
C22H221sing1.09Å1.11Å
C22H222sing1.09Å1.11Å
C22H223sing1.09Å1.11Å
N22C23sing1.38Å1.30ÅAromatic
N22HN22sing0.97Å1.02Å
C23C24doub1.39Å1.40ÅAromatic
C23C28sing1.40Å1.41ÅAromatic
C24C25sing1.38Å1.40ÅAromatic
C24H24sing1.08Å1.10Å
C25C26doub1.39Å1.41ÅAromatic
C25H25sing1.08Å1.10Å
C26C27sing1.38Å1.41ÅAromatic
C26Osing1.36Å1.37Å
C27C28doub1.40Å1.42ÅAromatic
C27H27sing1.08Å1.10Å
OC31sing1.43Å1.43Å
C31C32sing1.53Å1.52Å
C31C35sing1.53Å1.52Å
C31H31sing1.09Å1.11Å
C32C33sing1.54Å1.54Å
C32H321sing1.09Å1.11Å
C32H322sing1.09Å1.11Å
C33N31sing1.47Å1.48Å
C33H331sing1.09Å1.12Å
C33H332sing1.09Å1.12Å
N31C34sing1.47Å1.48Å
N31C36sing1.37Å1.34Å
C34C35sing1.53Å1.51Å
C34H341sing1.09Å1.12Å
C34H342sing1.09Å1.11Å
C35H351sing1.09Å1.11Å
C35H352sing1.09Å1.12Å
C36N32doub1.29Å1.44Å
C36C37sing1.51Å1.44Å
N32HN32sing0.97Å1.02Å
C37H371sing1.09Å1.11Å
C37H372sing1.09Å1.12Å
C37H373sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N1HN158.3°120.0°
N1C1N2119.4°120.0°
N1C1C2121.1°120.0°
N2C1C2119.5°120.0°
C1N2HN21119.4°120.0°
C1N2HN2A108.7°120.0°
C1C2C3119.4°119.8°
C1C2C11120.9°119.7°
HN21N2HN2A108.6°120.0°
C3C2C11119.7°120.5°
C2C3C4120.6°119.5°
C2C3H3119.6°120.3°
C2C11C10119.9°120.9°
C2C11H11120.5°119.5°
C4C3H3119.8°120.3°
C3C4C5118.1°121.1°
C3C4C9119.5°119.5°
C5C4C9122.4°119.4°
C4C5C6117.3°119.7°
C4C5H5119.2°120.2°
C4C9C8120.8°119.3°
C4C9C10120.1°119.7°
C6C5H5123.5°120.1°
C5C6C7120.4°121.0°
C5C6C12118.3°119.5°
C7C6C12121.3°119.5°
C6C7C8120.6°121.0°
C6C7H7119.8°119.5°
C6C12N21109.8°109.4°
C6C12H121112.1°109.4°
C6C12H122112.1°109.5°
C8C7H7119.6°119.5°
C7C8C9118.5°119.7°
C7C8H8122.2°120.2°
C9C8H8119.3°120.1°
C8C9C10119.1°121.1°
C9C10C11120.1°120.0°
C9C10H10120.1°120.0°
C11C10H10119.7°120.0°
C10C11H11119.6°119.6°
N21C12H121112.1°109.5°
N21C12H122112.1°109.5°
C12N21C21128.1°125.2°
C12N21C28133.0°125.1°
H121C12H12298.3°109.5°
C21N21C2899.0°109.7°
N21C21C22124.2°125.0°
N21C21N22112.7°110.1°
N21C28C23110.3°106.9°
N21C28C27130.2°133.5°
C22C21N22123.0°124.9°
C21C22H221124.2°109.5°
C21C22H222106.9°109.5°
C21C22H223106.9°109.5°
C21N22C23106.4°107.3°
C21N22HN22127.8°126.4°
H221C22H222107.0°109.4°
H221C22H223107.0°109.5°
H222C22H223102.7°109.5°
C23N22HN22125.7°126.3°
N22C23C24128.4°134.0°
N22C23C28111.6°106.0°
C24C23C28120.0°120.0°
C23C24C25120.7°119.9°
C23C24H24119.7°120.1°
C23C28C27119.5°119.6°
C25C24H24119.7°120.1°
C24C25C26120.0°120.4°
C24C25H25119.7°119.8°
C26C25H25120.3°119.8°
C25C26C27119.9°120.4°
C25C26O113.7°119.8°
C27C26O126.4°119.8°
C26C27C28119.9°119.7°
C26C27H27119.6°120.2°
C26OC31110.6°106.8°
C28C27H27120.5°120.1°
OC31C32112.6°109.4°
OC31C35110.8°109.5°
OC31H31108.7°109.5°
C32C31C35115.6°109.6°
C32C31H31103.1°109.4°
C31C32C33115.3°109.3°
C31C32H321110.1°109.5°
C31C32H322110.1°109.5°
C35C31H31105.3°109.5°
C31C35C34117.0°109.3°
C31C35H351109.5°109.5°
C31C35H352109.4°109.5°
C33C32H321110.1°109.6°
C33C32H322110.1°109.4°
C32C33N31109.8°108.6°
C32C33H331112.1°109.6°
C32C33H332112.1°109.6°
H321C32H322100.2°109.5°
N31C33H331112.1°109.8°
N31C33H332112.1°109.5°
C33N31C34116.3°118.8°
C33N31C36121.4°120.6°
H331C33H33298.3°109.7°
C34N31C36122.2°120.6°
N31C34C35110.5°108.7°
N31C34H341111.8°109.6°
N31C34H342111.9°109.6°
N31C36N32121.7°120.0°
N31C36C37119.8°120.0°
C35C34H341111.9°109.6°
C35C34H342111.9°109.6°
C34C35H351109.5°109.5°
C34C35H352109.5°109.4°
H341C34H34298.5°109.8°
H351C35H352100.7°109.5°
N32C36C37118.5°120.0°
C36N32HN32119.9°120.0°
C36C37H371119.8°109.5°
C36C37H372108.4°109.4°
C36C37H373108.5°109.5°
H371C37H372108.5°109.5°
H371C37H373108.5°109.5°
H372C37H373101.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C1N2C2177.3°179.9°
N1C1N2HN21180.0°180.0°
N1C1N2HN2A54.7°0.0°
N1C1C2C34.0°0.1°
N1C1C2C11175.0°180.0°
HN1N1C1N2138.7°0.0°
HN1N1C1C238.6°180.0°
C1N2HN21HN2A125.3°180.0°
N2C1C2C3178.7°180.0°
N2C1C2C112.3°0.1°
C2C1N2HN212.7°0.0°
C2C1N2HN2A127.9°180.0°
C1C2C3C11179.0°179.9°
C1C2C3C4179.7°180.0°
C1C2C3H30.3°0.0°
C1C2C11C10178.8°180.0°
C1C2C11H111.2°0.0°
C2C3C4H3180.0°180.0°
C2C3C4C5179.7°179.7°
C2C3C4C91.1°0.0°
C3C2C11C102.3°0.0°
C3C2C11H11177.8°180.0°
C11C2C3C40.7°0.0°
C11C2C3H3179.3°180.0°
C2C11C10C92.0°0.0°
C2C11C10H11180.0°180.0°
C2C11C10H10178.0°179.9°
C3C4C5C9179.2°179.7°
C3C4C5C6178.0°179.7°
C3C4C5H52.0°0.0°
C3C4C9C8178.3°180.0°
C3C4C9C101.4°0.0°
H3C3C4C50.3°0.3°
H3C3C4C9178.9°180.0°
C4C5C6H5180.0°179.7°
C4C5C6C70.6°0.6°
C4C5C6C12179.4°179.8°
C5C4C9C80.9°0.3°
C5C4C9C10179.4°179.7°
C9C4C5C61.1°0.5°
C9C4C5H5178.9°179.7°
C4C9C8C70.1°0.1°
C4C9C8C10179.7°180.0°
C4C9C8H8179.9°180.0°
C4C9C10C110.1°0.0°
C4C9C10H10179.8°179.9°
C5C6C7C12180.0°179.7°
C5C6C7C80.2°0.4°
C5C6C7H7179.8°179.8°
C5C6C12N21149.5°90.3°
C5C6C12H12124.2°149.7°
C5C6C12H12285.2°29.7°
H5C5C6C7179.4°179.7°
H5C5C6C120.6°0.0°
C6C7C8H7180.0°179.8°
C6C7C8C90.4°0.2°
C6C7C8H8179.6°179.9°
C7C6C12N2130.6°90.0°
C7C6C12H121155.8°30.0°
C7C6C12H12294.7°150.0°
C12C6C7C8179.8°179.9°
C12C6C7H70.2°0.1°
C6C12N21H121125.3°120.0°
C6C12N21H122125.3°120.0°
C6C12H121H122118.0°120.0°
C6C12N21C21102.6°90.0°
C6C12N21C2877.8°90.0°
C7C8C9H8180.0°179.9°
C7C8C9C10179.7°179.9°
H7C7C8C9179.5°180.0°
H7C7C8H80.4°0.1°
C8C9C10C11179.8°180.0°
C8C9C10H100.2°0.1°
H8C8C9C100.2°0.0°
C9C10C11H10180.0°179.9°
C9C10C11H11178.1°180.0°
H10C10C11H112.0°0.1°
N21C12H121H122118.0°120.0°
C12N21C21C28179.7°180.0°
C12N21C21C221.0°0.0°
C12N21C21N22179.9°180.0°
C12N21C28C23179.4°180.0°
C12N21C28C271.2°0.2°
H121C12N21C21132.2°150.1°
H121C12N21C2847.5°29.9°
H122C12N21C2122.7°30.0°
H122C12N21C28156.9°150.0°
N21C21C22N22179.0°179.9°
N21C21C22H221180.0°90.0°
N21C21C22H22254.7°29.9°
N21C21C22H22354.7°150.0°
N21C21N22C230.3°0.0°
N21C21N22HN22179.7°180.0°
C21N21C28C230.9°0.1°
C21N21C28C27179.1°179.7°
C28N21C21C22178.7°180.0°
C28N21C21N220.4°0.0°
N21C28C23N221.2°0.0°
N21C28C23C24178.7°180.0°
N21C28C23C27178.4°179.8°
N21C28C27C26178.8°179.8°
N21C28C27H271.1°0.1°
C21C22H221H222125.2°120.0°
C21C22H221H223125.2°120.0°
C21C22H222H223112.4°120.1°
C22C21N22C23179.4°180.0°
C22C21N22HN220.6°0.0°
N22C21C22H2211.0°90.1°
N22C21C22H222124.3°150.0°
N22C21C22H223126.2°30.0°
C21N22C23HN22180.0°180.0°
C21N22C23C24179.0°180.0°
C21N22C23C280.9°0.0°
H221C22H222H223112.5°120.0°
N22C23C24C28179.9°179.9°
N22C23C24C25179.2°180.0°
N22C23C24H240.9°0.0°
N22C23C28C27179.6°179.8°
HN22N22C23C240.9°0.0°
HN22N22C23C28179.1°180.0°
C23C24C25H24180.0°180.0°
C23C24C25C261.7°0.0°
C23C24C25H25178.3°180.0°
C24C23C28C270.3°0.2°
C28C23C24C250.9°0.0°
C28C23C24H24179.0°180.0°
C23C28C27C260.8°0.5°
C23C28C27H27179.2°179.7°
C24C25C26H25180.0°180.0°
C24C25C26C271.2°0.3°
C24C25C26O179.9°180.0°
H24C24C25C26178.3°180.0°
H24C24C25H251.7°0.0°
C25C26C27O178.6°179.7°
C25C26C27C280.1°0.5°
C25C26C27H27179.9°179.7°
C25C26OC311.1°104.8°
H25C25C26C27178.8°179.7°
H25C25C26O0.1°0.0°
C26C27C28H27180.0°179.8°
C27C26OC31177.5°75.5°
OC26C27C28178.5°179.8°
OC26C27H271.5°0.0°
C26OC31C3289.0°85.2°
C26OC31C35139.9°154.7°
C26OC31H3124.7°34.7°
OC31C32C35128.7°120.0°
OC31C32H31117.0°119.9°
OC31C35H31117.4°120.0°
OC31C32C3392.8°178.5°
OC31C32H32132.4°61.4°
OC31C32H322141.9°58.6°
OC31C35C3495.6°178.6°
OC31C35H351139.1°61.4°
OC31C35H35229.6°58.7°
C32C31C35H31113.1°120.0°
C31C32C33H321125.2°120.0°
C31C32C33H322125.3°119.9°
C31C32H321H322115.9°120.0°
C31C32C33N3146.1°54.8°
C31C32C33H33179.2°65.2°
C31C32C33H332171.4°174.4°
C32C31C35C3434.0°61.3°
C32C31C35H35191.3°58.6°
C32C31C35H352159.2°178.7°
C35C31C32C3335.9°61.5°
C35C31C32H321161.1°58.6°
C35C31C32H32289.4°178.7°
C31C35C34N3141.6°54.6°
C31C35C34H351125.3°120.0°
C31C35C34H352125.2°120.0°
C31C35C34H34183.6°174.4°
C31C35C34H342166.9°65.1°
C31C35H351H352115.2°120.1°
H31C31C32C33150.2°58.5°
H31C31C32H32184.6°178.6°
H31C31C32H32224.9°61.3°
H31C31C35C34147.0°58.6°
H31C31C35H35121.8°178.6°
H31C31C35H35287.8°61.3°
C33C32H321H322115.9°120.1°
C32C33N31H331125.3°119.8°
C32C33N31H332125.3°119.7°
C32C33H331H332118.0°120.4°
C32C33N31C3457.6°53.9°
C32C33N31C36122.5°126.4°
H321C32C33N31171.3°65.2°
H321C32C33H33146.0°174.9°
H321C32C33H33263.4°54.4°
H322C32C33N3179.2°174.7°
H322C32C33H331155.5°54.7°
H322C32C33H33246.1°65.7°
N31C33H331H332118.0°120.4°
C33N31C34C36179.9°179.7°
C33N31C34C3555.3°53.8°
C33N31C34H34170.0°173.6°
C33N31C34H342179.4°65.9°
C33N31C36N32179.6°174.6°
C33N31C36C370.6°5.3°
H331C33N31C3467.7°65.9°
H331C33N31C36112.2°113.8°
H332C33N31C34177.1°173.5°
H332C33N31C362.8°6.7°
N31C34C35H341125.2°119.8°
N31C34C35H342125.3°119.7°
N31C34H341H342117.7°120.4°
N31C34C35H35183.7°65.4°
N31C34C35H352166.8°174.6°
C34N31C36N320.5°5.7°
C34N31C36C37179.4°174.4°
C36N31C34C35124.8°126.5°
C36N31C34H341109.9°6.7°
C36N31C34H3420.5°113.8°
N31C36N32C37179.0°179.9°
N31C36N32HN3227.0°5.2°
N31C36C37H371180.0°90.0°
N31C36C37H37254.7°30.0°
N31C36C37H37354.7°150.0°
C35C34H341H342117.8°120.3°
C34C35H351H352115.2°120.0°
H341C34C35H351151.1°54.4°
H341C34C35H35241.6°65.6°
H342C34C35H35141.7°174.9°
H342C34C35H35267.9°54.8°
N32C36C37H3711.0°89.9°
N32C36C37H372126.3°150.0°
N32C36C37H373124.3°30.0°
C37C36N32HN32154.0°174.8°
C36C37H371H372125.2°120.0°
C36C37H371H373125.3°120.0°
C36C37H372H373114.1°120.0°
H371C37H372H373114.2°120.0°

225946

PDB entries from 2024-10-09

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