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A1CB1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.52Å
C2C3sing1.53Å1.52Å
C2O4sing1.43Å1.44Å
C2C5sing1.51Å1.53Å
C5N10doub1.32Å1.34ÅAromatic
C5N6sing1.32Å1.34ÅAromatic
N6C7doub1.32Å1.33ÅAromatic
C7C8sing1.40Å1.39ÅAromatic
C8C9doub1.40Å1.39ÅAromatic
C8C11sing1.48Å1.47Å
C9N10sing1.32Å1.34ÅAromatic
C11C29sing1.39Å1.40ÅAromatic
C11C12doub1.40Å1.40ÅAromatic
C12C13sing1.36Å1.38ÅAromatic
C13C14doub1.40Å1.39ÅAromatic
C14C28sing1.41Å1.39ÅAromatic
C14N15sing1.36Å1.40ÅAromatic
N15C16doub1.30Å1.31ÅAromatic
C16N27sing1.37Å1.37ÅAromatic
C16C17sing1.51Å1.50Å
C17C18sing1.53Å1.52Å
C18C19sing1.53Å1.53Å
C19C20sing1.53Å1.53Å
C20C21sing1.51Å1.52Å
C20N27sing1.46Å1.48Å
C21C26sing1.38Å1.39ÅAromatic
C21C22doub1.38Å1.39ÅAromatic
C22C23sing1.38Å1.39ÅAromatic
C23C24doub1.38Å1.38ÅAromatic
C24C25sing1.38Å1.38ÅAromatic
C25C26doub1.38Å1.39ÅAromatic
N27C28sing1.38Å1.39ÅAromatic
C28C29doub1.39Å1.38ÅAromatic
C7H38sing1.08Å1.08Å
C13H41sing1.08Å1.08Å
C17H43sing1.09Å1.10Å
C17H42sing1.09Å1.10Å
C20H30sing1.09Å1.10Å
C22H48sing1.08Å1.08Å
C24H50sing1.08Å1.08Å
C26H52sing1.08Å1.08Å
C1H33sing1.09Å1.10Å
C1H31sing1.09Å1.10Å
C1H32sing1.09Å1.10Å
C3H36sing1.09Å1.10Å
C3H35sing1.09Å1.10Å
C3H34sing1.09Å1.10Å
O4H37sing0.97Å0.95Å
C9H39sing1.08Å1.08Å
C12H40sing1.08Å1.08Å
C18H44sing1.09Å1.10Å
C18H45sing1.09Å1.10Å
C19H47sing1.09Å1.10Å
C19H46sing1.09Å1.10Å
C23H49sing1.08Å1.08Å
C25H51sing1.08Å1.08Å
C29H53sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3110.3°109.5°
C1C2O4106.5°109.5°
C1C2C5112.9°109.5°
C2C1H33109.5°109.5°
C2C1H31109.5°109.4°
C2C1H32109.4°109.5°
C3C2O4109.0°109.5°
C3C2C5109.0°109.5°
C2C3H36109.5°109.5°
C2C3H35109.5°109.4°
C2C3H34109.4°109.5°
O4C2C5109.2°109.4°
C2O4H37109.5°114.0°
C2C5N10116.9°119.0°
C2C5N6116.7°118.9°
N10C5N6126.4°122.1°
C5N10C9115.8°120.9°
C5N6C7115.9°120.9°
N6C7C8123.5°118.9°
N6C7H38118.3°120.5°
C7C8C9115.2°118.2°
C7C8C11121.8°120.9°
C8C7H38118.2°120.6°
C9C8C11123.0°120.9°
C8C9N10123.1°119.0°
C8C9H39118.4°120.5°
C8C11C29120.2°119.9°
C8C11C12120.2°119.9°
N10C9H39118.4°120.5°
C29C11C12119.5°120.1°
C11C29C28118.3°119.7°
C11C29H53120.9°120.1°
C11C12C13121.7°120.6°
C11C12H40119.2°119.7°
C12C13C14118.8°120.1°
C12C13H41120.6°120.0°
C13C12H40119.2°119.8°
C13C14C28119.4°119.7°
C13C14N15130.4°133.4°
C14C13H41120.6°120.0°
C28C14N15110.2°106.9°
C14C28N27105.1°105.9°
C14C28C29122.3°119.8°
C14N15C16104.6°109.8°
N15C16N27113.3°109.8°
N15C16C17125.5°126.6°
N27C16C17121.1°123.6°
C16N27C20125.5°124.8°
C16N27C28106.7°107.6°
C16C17C18112.2°108.2°
C16C17H43108.8°109.7°
C16C17H42108.8°109.7°
C17C18C19110.2°109.3°
C18C17H43108.8°109.7°
C18C17H42108.8°109.7°
C17C18H44109.3°109.5°
C17C18H45109.3°109.5°
C18C19C20112.0°109.4°
C19C18H44109.3°109.5°
C19C18H45109.3°109.6°
C18C19H47108.8°109.5°
C18C19H46108.9°109.4°
C19C20C21114.2°109.6°
C19C20N27110.9°108.8°
C19C20H30106.1°109.7°
C20C19H47108.8°109.5°
C20C19H46108.9°109.5°
C21C20N27112.3°109.6°
C20C21C26120.9°120.0°
C20C21C22120.4°120.0°
C21C20H30106.2°109.6°
C20N27C28127.7°127.7°
N27C20H30106.6°109.6°
C26C21C22118.7°120.0°
C21C26C25120.5°120.0°
C21C26H52119.7°120.0°
C21C22C23120.6°120.0°
C21C22H48119.7°120.0°
C22C23C24120.2°120.0°
C23C22H48119.7°120.0°
C22C23H49119.9°120.0°
C23C24C25119.8°120.0°
C23C24H50120.1°120.1°
C24C23H49119.9°120.0°
C24C25C26120.2°120.0°
C25C24H50120.1°120.0°
C24C25H51119.9°120.0°
C25C26H52119.7°120.0°
C26C25H51119.9°120.0°
N27C28C29132.6°134.3°
C28C29H53120.8°120.2°
H43C17H42109.4°109.7°
H33C1H31109.5°109.4°
H33C1H32109.5°109.5°
H31C1H32109.5°109.4°
H36C3H35109.4°109.5°
H36C3H34109.5°109.5°
H35C3H34109.5°109.5°
H44C18H45109.5°109.5°
H47C19H46109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3O4116.5°120.0°
C1C2C3C5124.4°120.0°
C1C2O4C5122.2°120.1°
C1C2C5N10167.3°180.0°
C1C2C5N614.4°0.3°
C2C1H33H31120.0°119.9°
C2C1H33H32120.0°120.1°
C2C1H31H32120.0°120.0°
C1C2C3H36180.0°60.0°
C1C2C3H3560.0°179.9°
C1C2C3H3460.0°60.0°
C1C2O4H37180.0°60.0°
C3C2O4C5118.9°120.0°
C3C2C5N1069.8°60.0°
C3C2C5N6108.5°120.3°
C3C2C1H33180.0°60.1°
C3C2C1H3160.0°180.0°
C3C2C1H3260.0°60.0°
C2C3H36H35120.0°120.0°
C2C3H36H34120.0°120.0°
C2C3H35H34120.0°120.0°
C3C2O4H3761.1°180.0°
O4C2C5N1049.1°60.0°
O4C2C5N6132.6°119.7°
O4C2C1H3361.9°59.9°
O4C2C1H3158.1°60.0°
O4C2C1H32178.1°180.0°
O4C2C3H3663.5°180.0°
O4C2C3H35176.5°59.9°
O4C2C3H3456.5°60.0°
C2C5N10N6178.1°179.7°
C2C5N6C7178.0°179.7°
C2C5N10C9178.3°179.7°
C5C2C1H3357.8°179.9°
C5C2C1H31177.8°60.0°
C5C2C1H3262.2°60.0°
C5C2C3H3655.5°60.0°
C5C2C3H3564.4°60.0°
C5C2C3H34175.6°180.0°
C5C2O4H3757.8°60.1°
N10C5N6C70.1°0.0°
C5N10C9C80.5°0.1°
C5N10C9H39179.5°179.9°
C5N6C7C80.2°0.0°
N6C5N10C90.2°0.0°
C5N6C7H38179.9°180.0°
N6C7C8H38180.0°179.9°
N6C7C8C90.1°0.1°
N6C7C8C11179.5°180.0°
C7C8C9C11179.6°179.9°
C7C8C9N100.5°0.1°
C7C8C11C29137.3°179.9°
C7C8C11C1243.4°0.7°
C7C8C9H39179.5°180.0°
C8C9N10H39180.0°179.9°
C9C8C11C2942.3°0.0°
C9C8C11C12137.1°179.2°
C9C8C7H38179.8°180.0°
C11C8C9N10179.1°180.0°
C8C11C29C12179.3°179.2°
C8C11C12C13178.8°179.8°
C8C11C29C28179.2°180.0°
C11C8C7H380.5°0.0°
C11C8C9H390.9°0.1°
C8C11C12H401.2°0.3°
C8C11C29H530.8°0.5°
C29C11C12C130.6°0.6°
C11C29C28C140.3°0.4°
C11C29C28N27179.5°179.6°
C11C29C28H53180.0°179.5°
C29C11C12H40179.5°179.5°
C11C12C13H40180.0°179.9°
C11C12C13C140.5°0.1°
C12C11C29C280.2°0.7°
C11C12C13H41179.5°179.7°
C12C11C29H53179.8°179.7°
C12C13C14H41180.0°179.8°
C12C13C14C280.1°0.2°
C12C13C14N15179.6°179.7°
C13C14C28N15179.7°180.0°
C13C14N15C16179.4°179.9°
C13C14C28N27179.5°179.9°
C13C14C28C290.3°0.0°
C14C13C12H40179.5°180.0°
C28C14N15C160.2°0.1°
C14C28N27C160.1°0.1°
C14C28N27C20175.2°180.0°
C14C28N27C29179.8°180.0°
C28C14C13H41179.9°180.0°
C14C28C29H53179.7°180.0°
C14N15C16N270.2°0.1°
C14N15C16C17176.8°179.8°
N15C14C28N270.2°0.1°
N15C14C28C29180.0°179.9°
N15C14C13H410.4°0.1°
N15C16N27C17177.2°179.9°
N15C16C17C18165.7°163.8°
N15C16N27C20175.5°179.9°
N15C16N27C280.1°0.0°
N15C16C17H4345.3°76.5°
N15C16C17H4273.8°44.1°
N27C16C17C1817.4°16.1°
C16N27C20C1910.7°17.0°
C16N27C20C21118.4°136.8°
C16N27C20C28174.4°179.9°
C16N27C28C29179.9°180.0°
N27C16C17H43137.9°103.6°
N27C16C17H42103.0°135.8°
C16N27C20H30125.7°102.9°
C16C17C18H43120.4°119.7°
C16C17C18H42120.4°119.7°
C16C17C18C1947.9°49.2°
C17C16N27C201.7°0.2°
C17C16N27C28177.1°179.9°
C16C17H43H42118.7°120.6°
C16C17C18H4472.2°169.2°
C16C17C18H45168.0°70.8°
C17C18C19H44120.1°119.9°
C17C18C19H45120.1°120.0°
C17C18C19C2062.0°69.9°
C18C17H43H42118.8°120.6°
C17C18H44H45119.7°120.1°
C17C18C19H47177.6°170.1°
C17C18C19H4658.4°50.1°
C18C19C20H47120.4°120.0°
C18C19C20H46120.4°119.9°
C18C19C20C2186.2°170.2°
C18C19C20N2741.9°50.5°
C19C18C17H43168.3°70.5°
C19C18C17H4272.5°168.9°
C18C19C20H30157.2°69.4°
C19C18H44H45119.7°120.1°
C18C19H47H46118.9°119.9°
C19C20C21N27127.4°119.3°
C19C20C21H30116.6°120.4°
C19C20N27H30115.0°119.9°
C19C20C21C2699.3°120.6°
C19C20C21C2280.3°59.0°
C19C20N27C28163.7°162.8°
C20C19C18H4458.1°170.2°
C20C19C18H45177.9°50.1°
C20C19H47H46118.9°120.1°
C21C20N27H30115.9°120.3°
C20C21C26C22179.6°179.6°
C20C21C22C23179.6°180.0°
C20C21C26C25179.6°180.0°
C21C20N27C2867.2°43.1°
C20C21C22H480.4°0.1°
C20C21C26H520.4°0.0°
C21C20C19H4734.2°69.7°
C21C20C19H46153.4°50.3°
N27C20C21C2628.0°120.0°
N27C20C21C22152.4°60.3°
C20N27C28C294.6°0.1°
N27C20C19H47162.3°170.5°
N27C20C19H4678.5°69.5°
C26C21C22C230.0°0.4°
C21C26C25C240.1°0.0°
C21C26C25H52180.0°180.0°
C26C21C20H30144.1°0.2°
C26C21C22H48180.0°179.7°
C21C26C25H51180.0°179.7°
C21C22C23H48180.0°179.9°
C21C22C23C240.1°0.1°
C22C21C26C250.0°0.3°
C22C21C20H3036.3°179.4°
C22C21C26H52180.0°179.7°
C21C22C23H49179.9°179.9°
C22C23C24H49180.0°180.0°
C22C23C24C250.1°0.2°
C22C23C24H50179.9°179.9°
C23C24C25H50180.0°179.7°
C23C24C25C260.1°0.2°
C24C23C22H48179.9°180.0°
C23C24C25H51179.9°180.0°
C24C25C26H51180.0°179.8°
C24C25C26H52179.9°180.0°
C25C24C23H49179.9°179.8°
C26C25C24H50179.9°180.0°
C28N27C20H3048.7°77.2°
N27C28C29H530.4°0.1°
H41C13C12H400.5°0.2°
H43C17C18H4448.2°49.5°
H43C17C18H4571.6°169.5°
H42C17C18H44167.4°71.1°
H42C17C18H4547.6°48.9°
H30C20C19H4782.4°50.6°
H30C20C19H4636.8°170.6°
H48C22C23H490.0°0.0°
H50C24C23H490.1°0.1°
H50C24C25H510.1°0.3°
H52C26C25H510.1°0.2°
H33C1H31H32120.0°120.0°
H36C3H35H34120.0°120.0°
H44C18C19H4762.2°50.1°
H44C18C19H46178.5°69.8°
H45C18C19H4757.6°69.9°
H45C18C19H4661.7°170.1°

248636

PDB entries from 2026-02-04

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