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071

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2doub1.33Å1.36ÅAromatic
N1C4sing1.32Å1.36ÅAromatic
C2N3sing1.33Å1.38ÅAromatic
C2N18sing1.39Å1.36Å
N3C6doub1.32Å1.38ÅAromatic
C4C5doub1.38Å1.41ÅAromatic
C5C6sing1.40Å1.38ÅAromatic
C5C8sing1.50Å1.53Å
C6C10sing1.47Å1.47ÅAromatic
C7C8sing1.53Å1.54Å
C7C9sing1.50Å1.54Å
C9C10doub1.38Å1.46ÅAromatic
C9C13sing1.39Å1.48ÅAromatic
C10N11sing1.35Å1.32ÅAromatic
N11N12sing1.29Å1.43ÅAromatic
N11C17sing1.47Å1.48Å
N12C13doub1.33Å1.36ÅAromatic
C13C14sing1.48Å1.50Å
C14N15sing1.35Å1.33Å
C14O16doub1.22Å1.22Å
N18C19sing1.40Å1.40Å
C19C20sing1.39Å1.40ÅAromatic
C19C24doub1.39Å1.35ÅAromatic
C20C21doub1.39Å1.39ÅAromatic
C21C22sing1.39Å1.41ÅAromatic
C21N30sing1.40Å1.44Å
C22C23doub1.38Å1.40ÅAromatic
C23C24sing1.39Å1.39ÅAromatic
C24O25sing1.36Å1.37Å
O25C26sing1.43Å1.47Å
N30C31sing1.47Å1.45Å
N30C35sing1.47Å1.47Å
C31C32sing1.53Å1.53Å
C32N33sing1.47Å1.46Å
N33C34sing1.47Å1.46Å
N33C36sing1.47Å1.46Å
C34C35sing1.53Å1.54Å
C4H4sing1.08Å1.08Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
N15HN15sing0.97Å1.00Å
N15HN1Asing0.97Å1.00Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C17H17Bsing1.09Å1.10Å
N18HN18sing0.97Å1.00Å
C20H20sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C26H26Bsing1.09Å1.10Å
C31H31sing1.09Å1.10Å
C31H31Asing1.09Å1.10Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
C34H34sing1.09Å1.10Å
C34H34Asing1.09Å1.10Å
C35H35sing1.09Å1.10Å
C35H35Asing1.09Å1.10Å
C36H36sing1.09Å1.10Å
C36H36Asing1.09Å1.10Å
C36H36Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C4116.4°121.4°
N1C2N3122.9°121.6°
N1C2N18116.2°119.2°
N1C4C5123.0°119.2°
N1C4H4118.5°120.4°
N3C2N18120.9°119.2°
C2N3C6120.3°120.1°
C2N18C19122.8°120.0°
C2N18HN18118.6°120.0°
N3C6C5118.4°119.8°
N3C6C10119.3°123.0°
C4C5C6118.8°117.9°
C4C5C8120.2°120.8°
C5C4H4118.5°120.4°
C6C5C8121.1°121.3°
C5C6C10121.0°117.2°
C5C8C7104.1°112.5°
C5C8H8111.3°108.9°
C5C8H8A111.3°108.9°
C6C10C9112.5°120.4°
C6C10N11132.6°132.6°
C8C7C9102.8°109.8°
C8C7H7111.8°109.4°
C8C7H7A111.7°109.4°
C7C8H8111.3°108.8°
C7C8H8A111.3°108.9°
C7C9C10121.1°122.6°
C7C9C13132.3°131.7°
C9C7H7111.8°109.4°
C9C7H7A111.8°109.4°
C10C9C1398.2°105.7°
C9C10N11114.3°107.0°
C9C13N12112.4°107.1°
C9C13C14118.7°126.5°
C10N11N12107.8°109.7°
C10N11C17136.0°125.2°
N12N11C17116.1°125.2°
N11N12C13106.8°110.5°
N11C17H17109.5°109.4°
N11C17H17A109.4°109.5°
N11C17H17B109.5°109.5°
N12C13C14128.3°126.4°
C13C14N15116.9°120.0°
C13C14O16123.0°119.9°
N15C14O16120.1°120.0°
C14N15HN15120.0°120.0°
C14N15HN1A120.0°120.1°
N18C19C20123.5°120.1°
N18C19C24120.7°120.1°
C19N18HN18118.6°120.0°
C20C19C24115.7°119.9°
C19C20C21122.2°119.9°
C19C20H20118.9°120.1°
C19C24C23124.0°120.0°
C19C24O25122.7°120.0°
C20C21C22121.0°120.0°
C20C21N30121.2°120.0°
C21C20H20118.8°120.0°
C22C21N30117.8°120.0°
C21C22C23116.0°120.1°
C21C22H22122.0°119.9°
C21N30C31119.2°111.0°
C21N30C35115.8°111.0°
C22C23C24121.1°120.1°
C23C22H22122.0°120.0°
C22C23H23119.4°120.0°
C23C24O25113.3°120.0°
C24C23H23119.4°120.0°
C24O25C26110.0°117.0°
O25C26H26109.5°109.5°
O25C26H26A109.5°109.5°
O25C26H26B109.5°109.5°
C31N30C35112.7°110.9°
N30C31C32117.3°109.4°
N30C31H31107.0°109.5°
N30C31H31A106.9°109.5°
N30C35C34111.4°109.3°
N30C35H35108.8°109.5°
N30C35H35A108.8°109.5°
C31C32N33109.7°109.3°
C32C31H31106.9°109.5°
C32C31H31A107.0°109.5°
C31C32H32109.4°109.5°
C31C32H32A109.4°109.5°
C32N33C34121.4°110.9°
C32N33C36114.2°111.0°
N33C32H32109.4°109.5°
N33C32H32A109.4°109.5°
C34N33C36118.4°111.0°
N33C34C35112.9°109.4°
N33C34H34108.3°109.5°
N33C34H34A108.3°109.6°
N33C36H36109.5°109.5°
N33C36H36A109.4°109.5°
N33C36H36B109.4°109.5°
C35C34H34108.3°109.5°
C35C34H34A108.4°109.4°
C34C35H35108.8°109.5°
C34C35H35A108.8°109.5°
H7C7H7A107.1°109.4°
H8C8H8A107.6°108.8°
HN15N15HN1A120.0°120.0°
H17C17H17A109.5°109.4°
H17C17H17B109.5°109.5°
H17AC17H17B109.5°109.5°
H26C26H26A109.5°109.4°
H26C26H26B109.5°109.4°
H26AC26H26B109.5°109.5°
H31C31H31A111.9°109.5°
H32C32H32A109.6°109.5°
H34C34H34A110.6°109.5°
H35C35H35A110.1°109.5°
H36C36H36A109.5°109.4°
H36C36H36B109.5°109.4°
H36AC36H36B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N3N18177.9°179.9°
N1C2N3C60.1°0.0°
C2N1C4C53.2°0.1°
N1C2N18C19177.4°6.1°
C2N1C4H4176.8°179.9°
N1C2N18HN182.6°174.0°
C4N1C2N33.3°1.0°
C4N1C2N18178.7°179.1°
N1C4C5H4180.0°179.9°
N1C4C5C60.2°1.5°
N1C4C5C8179.2°176.4°
C2N3C6C53.6°1.7°
C2N3C6C10171.0°177.7°
N3C2N18C194.6°174.0°
N3C2N18HN18175.4°6.0°
N18C2N3C6177.8°180.0°
C2N18C19HN18180.0°179.9°
C2N18C19C2033.4°31.4°
C2N18C19C24143.6°148.8°
N3C6C5C43.6°2.5°
N3C6C5C10167.2°179.5°
N3C6C5C8175.8°175.5°
N3C6C10C9158.5°166.2°
N3C6C10N1111.7°14.0°
C4C5C6C8179.4°178.0°
C4C5C6C10170.8°177.0°
C4C5C8C7131.3°146.8°
C4C5C8H811.3°92.5°
C4C5C8H8A108.7°26.0°
C6C5C8C748.1°35.3°
C5C6C10C98.6°13.2°
C5C6C10N11178.8°166.6°
C6C5C4H4179.8°178.4°
C6C5C8H8168.1°85.4°
C6C5C8H8A71.9°156.1°
C8C5C6C108.6°5.1°
C5C8C7H8120.0°120.8°
C5C8C7H8A120.0°120.8°
C5C8C7C964.9°45.3°
C8C5C4H40.8°3.7°
C5C8C7H755.1°165.4°
C5C8C7H7A175.1°74.7°
C5C8H8H8A122.2°118.6°
C6C10C9C717.6°1.2°
C6C10C9N11172.1°179.8°
C6C10C9C13169.3°179.0°
C6C10N11N12171.5°179.0°
C6C10N11C1713.2°1.1°
C8C7C9H7120.0°120.1°
C8C7C9H7A120.0°120.1°
C8C7C9C1056.2°30.8°
C8C7C9C13163.1°149.5°
C8C7H7H7A122.7°119.9°
C7C8H8H8A122.2°118.5°
C7C9C10C13151.7°179.8°
C7C9C10N11154.5°179.0°
C7C9C13N12153.1°179.2°
C7C9C13C1435.3°0.9°
C9C7H7H7A122.7°119.8°
C9C7C8H8175.1°75.5°
C9C7C8H8A55.1°166.1°
C9C10N11N121.4°0.8°
C9C10N11C17176.8°179.1°
C10C9C13N126.3°0.6°
C10C9C13C14177.9°179.4°
C10C9C7H763.8°150.9°
C10C9C7H7A176.2°89.3°
C13C9C10N112.8°0.8°
C9C13N12N117.6°0.1°
C9C13N12C14170.6°179.9°
C9C13C14N15161.5°180.0°
C9C13C14O1617.2°0.1°
C13C9C7H776.9°29.3°
C13C9C7H7A43.1°90.5°
C10N11N12C17176.4°179.9°
C10N11N12C135.5°0.4°
C10N11C17H17175.1°90.1°
C10N11C17H17A55.1°150.0°
C10N11C17H17B65.0°29.9°
N11N12C13C14178.2°179.8°
N12N11C17H170.0°90.0°
N12N11C17H17A120.0°29.9°
N12N11C17H17B120.0°150.0°
C17N11N12C13178.1°179.5°
N11C17H17H17A120.0°120.0°
N11C17H17H17B120.0°120.0°
N11C17H17AH17B120.0°120.0°
N12C13C14N1528.4°0.0°
N12C13C14O16152.9°180.0°
C13C14N15O16178.7°179.9°
C13C14N15HN15178.7°0.0°
C13C14N15HN1A1.3°180.0°
C14N15HN15HN1A180.0°180.0°
O16C14N15HN150.0°180.0°
O16C14N15HN1A180.0°0.0°
N18C19C20C24177.2°179.7°
N18C19C20C21178.7°180.0°
N18C19C24C23178.1°179.7°
N18C19C24O253.2°0.0°
N18C19C20H201.3°0.0°
C19C20C21H20180.0°180.0°
C19C20C21C221.1°0.0°
C19C20C21N30178.0°180.0°
C20C19C24C230.9°0.5°
C20C19C24O25179.5°179.7°
C20C19N18HN18146.6°148.5°
C24C19C20C211.5°0.2°
C19C24C23C220.3°0.6°
C19C24C23O25178.7°179.7°
C19C24O25C26169.7°180.0°
C24C19N18HN1836.4°31.2°
C24C19C20H20178.5°179.8°
C19C24C23H23179.7°179.7°
C20C21C22N30177.1°180.0°
C20C21C22C230.2°0.0°
C20C21N30C3152.4°180.0°
C20C21N30C35168.0°56.2°
C20C21C22H22179.8°180.0°
C21C22C23H22180.0°180.0°
C21C22C23C240.9°0.3°
C22C21N30C31130.6°0.1°
C22C21N30C359.1°123.8°
C22C21C20H20178.9°180.0°
C21C22C23H23179.2°180.0°
N30C21C22C23176.9°179.9°
C21N30C31C35140.8°123.8°
C21N30C31C32166.3°176.8°
C21N30C35C34164.9°176.8°
N30C21C20H202.0°0.0°
N30C21C22H223.1°0.0°
C21N30C31H3173.7°63.2°
C21N30C31H31A46.3°56.9°
C21N30C35H3544.9°56.8°
C21N30C35H35A75.1°63.2°
C22C23C24H23180.0°179.7°
C22C23C24O25178.4°179.7°
C23C24O25C269.1°0.3°
C24C23C22H22179.1°179.7°
O25C24C23H231.6°0.0°
C24O25C26H26180.0°180.0°
C24O25C26H26A60.0°60.0°
C24O25C26H26B60.0°60.0°
O25C26H26H26A120.0°120.0°
O25C26H26H26B120.0°120.0°
O25C26H26AH26B120.0°120.1°
N30C31C32H31120.0°120.0°
N30C31C32H31A120.0°120.0°
N30C31C32N3341.9°58.4°
C31N30C35C3452.9°59.4°
N30C31H31H31A116.8°120.1°
N30C31C32H32161.9°178.4°
N30C31C32H32A78.1°61.5°
C31N30C35H35172.9°179.3°
C31N30C35H35A67.1°60.6°
C35N30C31C3252.8°59.4°
N30C35C34N3346.3°58.4°
N30C35C34H35120.0°119.9°
N30C35C34H35A120.0°120.0°
C35N30C31H3167.1°60.6°
C35N30C31H31A172.8°179.3°
N30C35C34H34166.3°178.4°
N30C35C34H34A73.7°61.6°
N30C35H35H35A119.2°120.0°
C31C32N33H32120.0°119.9°
C31C32N33H32A120.0°120.0°
C31C32N33C3436.8°59.4°
C31C32N33C36171.1°176.8°
C32C31H31H31A116.8°120.0°
C31C32H32H32A119.9°120.1°
C32N33C34C36151.0°123.8°
C32N33C34C3540.7°59.4°
N33C32C31H3178.1°61.6°
N33C32C31H31A161.9°178.4°
N33C32H32H32A119.9°120.1°
C32N33C34H34160.7°179.3°
C32N33C34H34A79.3°60.6°
C32N33C36H36180.0°60.0°
C32N33C36H36A60.0°180.0°
C32N33C36H36B60.0°60.0°
N33C34C35H34120.0°120.0°
N33C34C35H34A120.0°120.0°
C34N33C32H32156.8°179.3°
C34N33C32H32A83.2°60.6°
N33C34H34H34A118.6°120.2°
N33C34C35H35166.3°178.4°
N33C34C35H35A73.7°61.5°
C34N33C36H3627.0°63.8°
C34N33C36H36A147.0°56.2°
C34N33C36H36B93.0°176.2°
C36N33C34C35168.3°176.8°
C36N33C32H3251.1°56.9°
C36N33C32H32A68.9°63.2°
C36N33C34H3448.3°56.9°
C36N33C34H34A71.7°63.2°
N33C36H36H36A120.0°120.0°
N33C36H36H36B120.0°120.1°
N33C36H36AH36B120.0°120.1°
C35C34H34H34A118.6°120.0°
C34C35H35H35A119.2°120.1°
H7C7C8H864.9°44.7°
H7C7C8H8A175.1°73.8°
H7AC7C8H855.1°164.5°
H7AC7C8H8A64.9°46.1°
H17C17H17AH17B120.0°120.0°
H22C22C23H230.9°0.0°
H26C26H26AH26B120.0°119.9°
H31C31C32H3241.9°58.4°
H31C31C32H32A161.9°178.5°
H31AC31C32H3278.1°61.7°
H31AC31C32H32A41.9°58.4°
H34C34C35H3573.7°61.7°
H34C34C35H35A46.3°58.4°
H34AC34C35H3546.3°58.3°
H34AC34C35H35A166.3°178.5°
H36C36H36AH36B120.0°119.9°

222415

PDB entries from 2024-07-10

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