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306

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.40Å1.42ÅAromatic
CN3doub1.34Å1.35ÅAromatic
CHsing1.08Å1.08Å
C1C14sing1.44Å1.51ÅAromatic
C1C2doub1.37Å1.41ÅAromatic
C2Nsing1.36Å1.36ÅAromatic
C2H2sing1.08Å1.08Å
NN3sing1.34Å1.36ÅAromatic
NHNsing1.01Å1.00Å
C4N6sing1.37Å1.35ÅAromatic
C4C22sing1.44Å1.48ÅAromatic
C4C5doub1.38Å1.42ÅAromatic
C5C7sing1.42Å1.39ÅAromatic
C5H5sing1.08Å1.08Å
N6C8sing1.38Å1.38ÅAromatic
N6HN6sing1.01Å1.00Å
C7C8doub1.40Å1.48ÅAromatic
C7C12sing1.41Å1.45ÅAromatic
C8C9sing1.40Å1.46ÅAromatic
C9C10doub1.40Å1.46ÅAromatic
C9H9sing1.09Å1.08Å
C10C11sing1.39Å1.47ÅAromatic
C10H10sing1.09Å1.08Å
C11C13sing1.50Å1.52Å
C11C12doub1.40Å1.46ÅAromatic
C12H12sing1.09Å1.08Å
C13N24sing1.46Å1.49Å
C13H131sing1.10Å1.10Å
C13H132sing1.10Å1.10Å
C14C15doub1.40Å1.46ÅAromatic
C14C17sing1.40Å1.46ÅAromatic
C15C16sing1.39Å1.42ÅAromatic
C15H15sing1.09Å1.08Å
C16C19doub1.40Å1.42ÅAromatic
C16H16sing1.09Å1.08Å
C17C18doub1.40Å1.43ÅAromatic
C17H17sing1.09Å1.08Å
C18C19sing1.40Å1.45ÅAromatic
C18C23sing1.46Å1.39ÅAromatic
C19N20sing1.40Å1.38ÅAromatic
N20C21sing1.38Å1.37ÅAromatic
N20HN20sing1.02Å1.00Å
C21Odoub1.23Å1.23Å
C21C22sing1.51Å1.51ÅAromatic
C22C23doub1.35Å1.43ÅAromatic
C23H23sing1.09Å1.08Å
N24C29sing1.47Å1.48Å
N24C25sing1.47Å1.48Å
C25C26sing1.53Å1.54Å
C25H251sing1.10Å1.10Å
C25H252sing1.10Å1.10Å
C26C27sing1.52Å1.53Å
C26H261sing1.10Å1.10Å
C26H262sing1.10Å1.10Å
C27C28sing1.53Å1.52Å
C27H271sing1.10Å1.10Å
C27H272sing1.10Å1.10Å
C28C29sing1.53Å1.53Å
C28H281sing1.10Å1.10Å
C28H282sing1.10Å1.10Å
C29H291sing1.10Å1.10Å
C29H292sing1.10Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1CN3110.4°112.5°
C1CH124.8°128.9°
CC1C14128.1°131.1°
CC1C2102.5°105.0°
N3CH124.8°118.6°
CN3N108.0°103.1°
C14C1C2129.1°124.0°
C1C14C15118.7°119.9°
C1C14C17121.3°120.0°
C1C2N110.2°105.6°
C1C2H2124.9°133.0°
NC2H2124.9°121.4°
C2NN3107.7°113.8°
C2NHN126.2°127.9°
N3NHN126.2°118.3°
N6C4C22125.8°118.2°
N6C4C5108.8°107.9°
C4N6C8111.4°110.2°
C4N6HN6124.3°125.4°
C22C4C5125.4°133.9°
C4C22C21117.4°118.6°
C4C22C23124.6°122.3°
C4C5C7107.3°107.7°
C4C5H5126.4°125.7°
C7C5H5126.4°126.6°
C5C7C8107.5°107.1°
C5C7C12133.7°134.1°
C8N6HN6124.3°124.4°
N6C8C7104.9°107.1°
N6C8C9132.9°130.3°
C8C7C12118.7°118.8°
C7C8C9122.2°122.7°
C7C12C11119.2°118.9°
C7C12H12120.4°120.3°
C8C9C10119.0°117.6°
C8C9H9120.5°121.5°
C10C9H9120.5°121.0°
C9C10C11118.6°120.7°
C9C10H10120.7°118.9°
C11C10H10120.7°120.5°
C10C11C13120.0°119.4°
C10C11C12122.2°121.4°
C13C11C12117.7°119.2°
C11C13N24113.5°112.0°
C11C13H131108.2°110.6°
C11C13H132107.2°111.0°
C11C12H12120.4°120.8°
N24C13H131108.2°108.0°
N24C13H132107.3°107.8°
C13N24C29110.6°110.4°
C13N24C25112.5°110.5°
H131C13H132112.7°107.2°
C15C14C17119.9°120.2°
C14C15C16122.8°120.1°
C14C15H15118.6°119.8°
C14C17C18117.9°120.1°
C14C17H17121.0°119.0°
C16C15H15118.6°120.1°
C15C16C19115.6°119.6°
C15C16H16122.2°119.5°
C19C16H16122.2°120.9°
C16C19C18124.4°120.8°
C16C19N20116.1°120.0°
C18C17H17121.0°121.0°
C17C18C19119.2°119.4°
C17C18C23119.3°121.7°
C19C18C23121.4°119.0°
C18C19N20119.4°119.3°
C18C23C22119.4°121.9°
C18C23H23120.3°117.4°
C19N20C21122.4°123.7°
C19N20HN20118.8°117.9°
C21N20HN20118.8°118.4°
N20C21O117.5°122.1°
N20C21C22119.4°116.9°
OC21C22123.1°121.0°
C21C22C23118.0°119.2°
C22C23H23120.3°120.7°
C29N24C25109.8°111.2°
N24C29C28112.0°111.1°
N24C29H291108.6°110.8°
N24C29H292108.0°109.5°
N24C25C26110.2°111.1°
N24C25H251109.2°109.6°
N24C25H252109.1°110.7°
C26C25H251109.2°108.4°
C26C25H252109.1°109.7°
C25C26C27110.8°111.3°
C25C26H261109.0°109.6°
C25C26H262108.8°109.8°
H251C25H252110.0°107.3°
C27C26H261109.1°109.5°
C27C26H262108.7°109.7°
C26C27C28107.2°110.4°
C26C27H271110.2°109.5°
C26C27H272110.7°110.2°
H261C26H262110.5°106.9°
C28C27H271110.2°109.5°
C28C27H272110.7°110.1°
C27C28C29108.9°111.3°
C27C28H281109.6°109.7°
C27C28H282109.8°109.4°
H271C27H272107.7°107.1°
C29C28H281109.7°109.7°
C29C28H282109.8°109.6°
C28C29H291108.6°109.8°
C28C29H292108.1°108.3°
H281C28H282109.0°107.0°
H291C29H292111.5°107.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1CN3H180.0°179.9°
CC1C14C2173.0°179.9°
CC1C2N3.4°0.0°
CC1C2H2176.5°179.9°
C1CN3N9.1°0.1°
CC1C14C15178.5°150.1°
CC1C14C170.2°29.9°
N3CC1C14170.9°180.0°
N3CC1C23.5°0.1°
CN3NC211.1°0.0°
CN3NHN168.9°179.8°
HCC1C149.1°0.1°
HCC1C2176.5°180.0°
HCN3N170.8°180.0°
C14C1C2N177.8°180.0°
C14C1C2H22.2°0.1°
C1C14C15C17178.8°180.0°
C1C14C15C16175.9°179.9°
C1C14C15H154.1°0.1°
C1C14C17C18178.1°179.9°
C1C14C17H171.9°0.1°
C1C2NH2180.0°179.9°
C1C2NN39.1°0.0°
C1C2NHN170.9°179.8°
C2C1C14C155.6°30.0°
C2C1C14C17173.2°150.0°
C2NN3HN180.0°179.8°
H2C2NN3170.9°179.9°
H2C2NHN9.1°0.1°
N6C4C22C5177.9°179.9°
N6C4C5C73.5°0.1°
N6C4C5H5176.6°180.0°
C4N6C8HN6180.0°180.0°
C4N6C8C73.2°0.0°
C4N6C8C9176.1°180.0°
N6C4C22C214.2°149.9°
N6C4C22C23174.0°29.9°
C22C4C5C7178.3°180.0°
C22C4C5H51.6°0.2°
C22C4N6C8177.6°180.0°
C22C4N6HN62.4°0.1°
C4C22C23C18178.1°179.7°
C4C22C21N20175.4°179.3°
C4C22C21O4.6°1.0°
C4C22C21C23178.3°179.8°
C4C22C23H231.9°0.0°
C4C5C7H5180.0°179.9°
C5C4N6C84.2°0.0°
C5C4N6HN6175.7°180.0°
C4C5C7C81.5°0.1°
C4C5C7C12176.8°179.9°
C5C4C22C21177.9°30.2°
C5C4C22C233.9°150.0°
C5C7C8N61.0°0.0°
C5C7C8C12178.6°180.0°
C5C7C8C9178.4°179.9°
C5C7C12C11176.9°179.9°
C5C7C12H123.1°0.0°
H5C5C7C8178.6°180.0°
H5C5C7C123.1°0.0°
N6C8C7C9179.4°180.0°
N6C8C7C12179.5°180.0°
N6C8C9C10178.7°180.0°
N6C8C9H91.3°0.0°
HN6N6C8C7176.8°180.0°
HN6N6C8C93.9°0.0°
C7C8C9C100.5°0.1°
C7C8C9H9179.5°180.0°
C8C7C12C111.2°0.1°
C8C7C12H12178.8°180.0°
C12C7C8C90.1°0.1°
C7C12C11C101.7°0.1°
C7C12C11C13174.4°180.0°
C7C12C11H12180.0°179.9°
C8C9C10H9180.0°179.9°
C8C9C10C110.0°0.0°
C8C9C10H10180.0°180.0°
C9C10C11H10180.0°180.0°
C9C10C11C13174.9°180.0°
C9C10C11C121.1°0.1°
H9C9C10C11180.0°180.0°
H9C9C10H100.0°0.0°
C10C11C13C12176.2°180.0°
C10C11C12H12178.3°180.0°
C10C11C13N2471.9°135.0°
C10C11C13H131168.1°104.5°
C10C11C13H13246.3°14.4°
H10C10C11C135.1°0.0°
H10C10C11C12178.9°180.0°
C13C11C12H125.6°0.1°
C11C13N24H131120.0°122.0°
C11C13N24H132118.2°122.4°
C11C13H131H132118.3°121.2°
C11C13N24C2940.2°176.6°
C11C13N24C25163.4°60.0°
C12C11C13N24104.3°45.0°
C12C11C13H13115.7°75.5°
C12C11C13H132137.5°165.5°
N24C13H131H132118.4°115.9°
C13N24C29C25124.8°123.0°
C13N24C25C26179.1°178.0°
C13N24C25H25160.9°58.3°
C13N24C25H25259.4°59.8°
C13N24C29C28176.1°178.0°
C13N24C29H29156.1°59.7°
C13N24C29H29265.0°58.4°
H131C13N24C2979.8°54.6°
H131C13N24C2543.4°178.0°
H132C13N24C29158.4°61.0°
H132C13N24C2578.3°62.4°
C14C15C16H15180.0°179.8°
C14C15C16C192.7°0.1°
C14C15C16H16177.3°179.9°
C15C14C17C180.7°0.1°
C15C14C17H17179.4°179.9°
C17C14C15C162.9°0.1°
C17C14C15H15177.1°179.9°
C14C17C18H17180.0°180.0°
C14C17C18C191.4°0.0°
C14C17C18C23174.7°179.9°
C15C16C19H16180.0°180.0°
C15C16C19C180.6°0.0°
C15C16C19N20175.9°179.9°
H15C15C16C19177.2°179.9°
H15C15C16H162.7°0.1°
C16C19C18C171.5°0.0°
C16C19C18N20176.4°179.9°
C16C19C18C23174.5°179.9°
C16C19N20C21177.8°179.8°
C16C19N20HN202.2°0.2°
H16C16C19C18179.4°180.0°
H16C16C19N204.1°0.1°
C17C18C19C23175.9°179.9°
C17C18C19N20177.9°179.9°
C17C18C23C22178.2°179.9°
C17C18C23H231.8°0.2°
H17C17C18C19178.6°180.0°
H17C17C18C235.4°0.1°
C18C19N20C211.1°0.1°
C18C19N20HN20178.9°179.7°
C19C18C23C222.3°0.0°
C19C18C23H23177.7°179.6°
C23C18C19N201.9°0.3°
C18C23C22C210.1°0.6°
C18C23C22H23180.0°179.6°
C19N20C21HN20180.0°179.6°
C19N20C21O176.5°179.0°
C19N20C21C223.5°0.6°
N20C21OC22180.0°179.6°
N20C21C22C233.0°0.9°
HN20N20C21O3.5°0.6°
HN20N20C21C22176.5°179.8°
OC21C22C23177.0°178.8°
C21C22C23H23179.9°179.8°
C29N24C25C2657.1°59.0°
C29N24C25H25162.9°178.8°
C29N24C25H252176.8°63.1°
N24C29C28C2760.7°55.9°
N24C29C28H291120.0°122.9°
N24C29C28H292118.9°120.3°
N24C29C28H28159.2°177.5°
N24C29C28H282179.0°65.3°
N24C29H291H292118.9°119.4°
N24C25C26H251120.0°120.4°
N24C25C26H252119.7°122.8°
N24C25H251H252119.7°120.2°
N24C25C26C2759.1°55.8°
N24C25C26H261179.1°65.4°
N24C25C26H26260.4°177.5°
C25N24C29C2859.1°59.0°
C25N24C29H291179.1°63.3°
C25N24C29H29259.8°178.6°
C26C25H251H252119.7°118.3°
C25C26C27H261120.0°121.3°
C25C26C27H262119.5°121.7°
C25C26H261H262119.5°118.9°
C25C26C27C2859.5°52.3°
C25C26C27H27160.6°68.3°
C25C26C27H272179.7°174.2°
H251C25C26C2760.9°176.3°
H251C25C26H26159.1°55.1°
H251C25C26H262179.6°62.1°
H252C25C26C27178.7°66.9°
H252C25C26H26161.2°171.9°
H252C25C26H26259.3°54.7°
C27C26H261H262119.5°118.8°
C26C27C28H271120.0°120.7°
C26C27C28H272120.9°121.9°
C26C27H271H272120.9°119.4°
C26C27C28C2959.1°52.4°
C26C27C28H28160.9°174.0°
C26C27C28H282179.4°69.0°
H261C26C27C28179.5°69.0°
H261C26C27H27159.5°170.4°
H261C26C27H27259.6°52.9°
H262C26C27C2860.0°174.0°
H262C26C27H271180.0°53.3°
H262C26C27H27260.9°64.2°
C28C27H271H272120.9°119.3°
C27C28C29H281120.0°121.6°
C27C28C29H282120.3°121.2°
C27C28H281H282120.2°118.6°
C27C28C29H291179.3°67.1°
C27C28C29H29258.1°176.1°
H271C27C28C2960.9°68.3°
H271C27C28H281179.1°53.3°
H271C27C28H28259.3°170.4°
H272C27C28C29180.0°174.2°
H272C27C28H28160.0°64.1°
H272C27C28H28259.7°52.9°
C29C28H281H282120.2°118.9°
C28C29H291H292119.0°117.5°
H281C28C29H29160.8°54.6°
H281C28C29H292178.1°62.3°
H282C28C29H29159.0°171.8°
H282C28C29H29262.1°54.9°

222415

PDB entries from 2024-07-10

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