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XHV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C8C7sing1.53Å1.53Å
C8N2sing1.47Å1.47Å
C7N6sing1.47Å1.47Å
C1N2sing1.47Å1.47Å
N2C4sing1.47Å1.47Å
C10C11doub1.38Å1.37ÅAromatic
C10C9sing1.39Å1.39ÅAromatic
C11C12sing1.39Å1.38ÅAromatic
N6C9sing1.40Å1.41Å
N6C5sing1.47Å1.48Å
C9C14doub1.39Å1.39ÅAromatic
C4C5sing1.53Å1.52Å
N16C17doub1.30Å1.29ÅAromatic
N16N15sing1.40Å1.39ÅAromatic
C12N15sing1.40Å1.39Å
C12C13doub1.39Å1.38ÅAromatic
C17C18sing1.41Å1.41ÅAromatic
N15C23sing1.37Å1.37ÅAromatic
C14C13sing1.38Å1.38ÅAromatic
C18C23doub1.41Å1.41ÅAromatic
C18C19sing1.40Å1.40ÅAromatic
C23C22sing1.39Å1.39ÅAromatic
C19N20doub1.31Å1.31ÅAromatic
C22C21doub1.39Å1.39ÅAromatic
N20C21sing1.33Å1.33ÅAromatic
C21C24sing1.48Å1.47Å
O31C32sing1.43Å1.43Å
O31C30sing1.36Å1.35Å
C24C30doub1.40Å1.40ÅAromatic
C24C25sing1.40Å1.39ÅAromatic
F26C25sing1.35Å1.34Å
C30C29sing1.39Å1.40ÅAromatic
C25C27doub1.38Å1.38ÅAromatic
C29C28doub1.38Å1.38ÅAromatic
C27C28sing1.38Å1.39ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C7H9sing1.09Å1.10Å
C8H10sing1.09Å1.10Å
C8H11sing1.09Å1.10Å
C11H12sing1.08Å1.08Å
C17H13sing1.08Å1.08Å
C19H14sing1.08Å1.08Å
C27H15sing1.08Å1.08Å
C32H16sing1.09Å1.10Å
C32H17sing1.09Å1.10Å
C32H18sing1.09Å1.10Å
C10H20sing1.08Å1.08Å
C13H21sing1.08Å1.08Å
C14H22sing1.08Å1.08Å
C22H23sing1.08Å1.08Å
C28H24sing1.08Å1.08Å
C29H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7C8N2108.6°109.3°
C8C7N6108.6°109.4°
C8C7H8109.7°109.5°
C8C7H9109.7°109.4°
C7C8H10109.7°109.5°
C7C8H11109.7°109.5°
C8N2C1111.1°111.0°
C8N2C4108.5°110.9°
N2C8H10109.7°109.5°
N2C8H11109.7°109.5°
C7N6C9113.4°111.0°
C7N6C5111.4°110.9°
N6C7H8109.7°109.5°
N6C7H9109.7°109.5°
C1N2C4109.6°111.0°
N2C1H1109.5°109.5°
N2C1H2109.5°109.5°
N2C1H3109.5°109.5°
N2C4C5109.5°109.3°
N2C4H4109.5°109.5°
N2C4H5109.4°109.5°
C11C10C9121.5°120.0°
C10C11C12119.9°120.0°
C10C11H12120.1°120.0°
C11C10H20119.2°120.0°
C10C9N6119.0°120.0°
C10C9C14117.8°120.0°
C9C10H20119.3°120.0°
C11C12N15119.5°120.0°
C11C12C13119.6°120.0°
C12C11H12120.1°120.0°
C9N6C5116.8°111.0°
N6C9C14123.2°120.0°
N6C5C4110.5°109.4°
N6C5H6109.2°109.5°
N6C5H7109.2°109.5°
C9C14C13120.9°120.0°
C9C14H22119.6°120.0°
C5C4H4109.5°109.4°
C5C4H5109.5°109.5°
C4C5H6109.2°109.5°
C4C5H7109.2°109.5°
C17N16N15109.5°109.8°
N16C17C18109.2°108.6°
N16C17H13125.4°125.7°
N16N15C12123.9°126.0°
N16N15C23108.7°108.1°
N15C12C13120.8°120.0°
C12N15C23127.4°125.9°
C12C13C14120.3°120.0°
C12C13H21119.8°119.9°
C17C18C23106.8°106.8°
C17C18C19133.7°134.3°
C18C17H13125.4°125.7°
N15C23C18105.9°106.6°
N15C23C22136.3°134.9°
C14C13H21119.9°120.0°
C13C14H22119.6°120.0°
C23C18C19119.5°118.9°
C18C23C22117.8°118.5°
C18C19N20120.5°120.4°
C18C19H14119.7°119.8°
C23C22C21118.5°118.8°
C23C22H23120.7°120.5°
C19N20C21121.6°122.3°
N20C19H14119.8°119.8°
C22C21N20122.1°121.1°
C22C21C24119.6°119.4°
C21C22H23120.8°120.7°
N20C21C24118.3°119.4°
C21C24C30121.2°120.2°
C21C24C25118.9°120.2°
C32O31C30121.0°117.0°
O31C32H16109.5°109.5°
O31C32H17109.5°109.4°
O31C32H18109.5°109.5°
O31C30C24117.8°120.1°
O31C30C29123.0°120.2°
C30C24C25119.9°119.6°
C24C30C29119.2°119.8°
C24C25F26119.6°120.0°
C24C25C27120.2°119.9°
F26C25C27120.2°120.1°
C30C29C28120.2°120.1°
C30C29H25119.9°119.9°
C25C27C28120.2°120.2°
C25C27H15119.9°119.9°
C29C28C27120.2°120.3°
C29C28H24119.9°119.8°
C28C29H25119.9°120.0°
C28C27H15119.9°119.9°
C27C28H24119.9°119.8°
H1C1H2109.4°109.5°
H1C1H3109.4°109.5°
H2C1H3109.5°109.4°
H4C4H5109.5°109.5°
H6C5H7109.5°109.5°
H8C7H9109.5°109.5°
H10C8H11109.5°109.5°
H16C32H17109.4°109.5°
H16C32H18109.5°109.5°
H17C32H18109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C7C8N2H10119.9°120.0°
C7C8N2H11119.8°119.9°
C8C7N6H8119.9°120.0°
C8C7N6H9119.9°119.9°
C7C8N2C1174.6°176.8°
C7C8N2C464.9°59.4°
C8C7N6C9168.6°176.8°
C8C7N6C557.1°59.3°
C8C7H8H9120.4°120.0°
C7C8H10H11120.4°120.1°
N2C8C7N661.9°58.4°
C8N2C1C4119.9°123.8°
C8N2C4C562.1°59.4°
C8N2C1H1180.0°60.0°
C8N2C1H260.0°180.0°
C8N2C1H360.0°60.0°
C8N2C4H457.9°179.3°
C8N2C4H5177.8°60.6°
N2C8C7H857.9°61.6°
N2C8C7H9178.2°178.4°
N2C8H10H11120.4°120.0°
C7N6C9C1052.0°0.8°
C7N6C9C5131.6°123.8°
C7N6C9C14129.7°180.0°
C7N6C5C455.0°59.3°
C7N6C5H665.2°179.3°
C7N6C5H7175.2°60.6°
N6C7H8H9120.4°120.1°
N6C7C8H1057.9°61.5°
N6C7C8H11178.2°178.4°
C1N2C4C5176.4°176.8°
N2C1H1H2120.0°120.0°
N2C1H1H3120.0°120.0°
N2C1H2H3120.0°120.0°
C1N2C4H463.6°56.9°
C1N2C4H556.4°63.2°
C1N2C8H1065.6°63.2°
C1N2C8H1154.7°56.9°
N2C4C5N656.8°58.4°
N2C4C5H4120.0°120.0°
N2C4C5H5120.0°120.0°
C4N2C1H160.1°176.2°
C4N2C1H259.9°56.2°
C4N2C1H3180.0°63.8°
N2C4H4H5120.0°120.1°
N2C4C5H663.3°178.4°
N2C4C5H7177.0°61.6°
C4N2C8H1055.0°60.6°
C4N2C8H11175.3°179.3°
C11C10C9H20180.0°180.0°
C10C11C12H12180.0°179.7°
C11C10C9N6179.2°179.8°
C11C10C9C140.8°0.5°
C10C11C12N15179.6°179.8°
C10C11C12C131.2°0.3°
C9C10C11C121.1°0.0°
C10C9N6C14178.3°179.2°
C10C9N6C5176.4°123.0°
C10C9C14C130.5°0.7°
C9C10C11H12178.9°179.7°
C10C9C14H22179.5°180.0°
C11C12N15N1638.6°34.7°
C11C12N15C13178.4°180.0°
C11C12N15C23142.8°145.0°
C11C12C13C140.9°0.1°
C12C11C10H20178.9°180.0°
C11C12C13H21179.1°180.0°
C9N6C5C4172.4°176.8°
N6C9C14C13178.8°180.0°
C9N6C5H667.4°56.8°
C9N6C5H752.3°63.2°
C9N6C7H871.5°63.2°
C9N6C7H948.8°56.9°
N6C9C10H200.8°0.3°
N6C9C14H221.2°0.7°
C5N6C9C141.9°56.2°
N6C5C4H6120.2°120.0°
N6C5C4H7120.1°120.0°
N6C5C4H463.2°178.4°
N6C5C4H5176.8°61.6°
N6C5H6H7119.5°120.0°
C5N6C7H862.7°60.7°
C5N6C7H9177.0°179.3°
C9C14C13C120.5°0.5°
C9C14C13H22180.0°179.3°
C14C9C10H20179.2°179.5°
C9C14C13H21179.5°179.5°
C5C4H4H5120.0°120.1°
C4C5H6H7119.5°120.1°
C17N16N15C12180.0°179.8°
N16C17C18H13180.0°179.8°
C17N16N15C231.1°0.4°
N16C17C18C231.2°0.3°
N16C17C18C19178.9°179.8°
N16N15C12C23178.7°179.7°
N16N15C12C13139.8°145.2°
N15N16C17C181.4°0.4°
N16N15C23C180.4°0.2°
N16N15C23C22179.1°179.7°
N15N16C17H13178.6°179.8°
N15C12C13C14179.3°180.0°
C12N15C23C18179.2°180.0°
C12N15C23C220.3°0.1°
N15C12C11H120.4°0.1°
N15C12C13H210.7°0.1°
C13C12N15C2338.8°35.0°
C12C13C14H21180.0°179.9°
C13C12C11H12178.8°180.0°
C12C13C14H22179.5°179.7°
C17C18C23N150.4°0.0°
C17C18C23C19180.0°179.9°
C17C18C23C22180.0°180.0°
C17C18C19N20179.1°179.9°
C17C18C19H140.9°0.0°
N15C23C18C22179.6°179.9°
N15C23C18C19179.6°180.0°
N15C23C22C21178.7°179.9°
N15C23C22H231.3°0.1°
C23C18C19N201.0°0.0°
C18C23C22C210.8°0.2°
C23C18C17H13178.9°179.9°
C23C18C19H14179.0°179.9°
C18C23C22H23179.2°180.0°
C19C18C23C220.0°0.1°
C18C19N20H14180.0°179.9°
C18C19N20C211.1°0.1°
C19C18C17H131.1°0.0°
C23C22C21H23180.0°179.8°
C23C22C21N200.7°0.1°
C23C22C21C24179.5°179.9°
C19N20C21C220.3°0.0°
C19N20C21C24179.6°179.9°
C22C21N20C24179.9°180.0°
C22C21C24C3066.8°132.2°
C22C21C24C25114.2°47.9°
N20C21C24C30113.3°47.8°
N20C21C24C2565.7°132.0°
C21N20C19H14178.9°180.0°
N20C21C22H23179.3°179.9°
C21C24C30O310.3°0.1°
C21C24C30C25179.0°179.8°
C21C24C25F260.5°0.1°
C21C24C30C29179.6°180.0°
C21C24C25C27179.9°180.0°
C24C21C22H230.5°0.1°
C32O31C30C24179.4°180.0°
C32O31C30C290.7°0.0°
O31C32H16H17120.0°120.0°
O31C32H16H18120.0°120.0°
O31C32H17H18120.0°120.0°
O31C30C24C29179.9°179.9°
O31C30C24C25179.2°179.8°
O31C30C29C28179.4°180.0°
C30O31C32H16180.0°60.0°
C30O31C32H1760.0°180.0°
C30O31C32H1860.0°60.0°
O31C30C29H250.6°0.0°
C30C24C25F26179.5°179.7°
C30C24C25C270.9°0.2°
C24C30C29C280.5°0.1°
C24C30C29H25179.5°180.0°
C24C25F26C27179.6°179.9°
C25C24C30C290.7°0.2°
C24C25C27C280.9°0.1°
C24C25C27H15179.1°179.8°
F26C25C27C28179.5°180.0°
F26C25C27H150.5°0.4°
C30C29C28H25180.0°179.9°
C30C29C28C270.5°0.4°
C30C29C28H24179.5°179.7°
C25C27C28C290.7°0.4°
C25C27C28H15180.0°179.7°
C25C27C28H24179.3°179.7°
C29C28C27H24180.0°179.9°
C29C28C27H15179.3°180.0°
C27C28C29H25179.5°179.7°
H1C1H2H3120.0°119.9°
H4C4C5H6176.6°61.7°
H4C4C5H757.0°58.4°
H5C4C5H656.7°58.4°
H5C4C5H763.0°178.5°
H8C7C8H10177.8°178.5°
H8C7C8H1162.0°58.4°
H9C7C8H1061.9°58.4°
H9C7C8H1158.4°61.7°
H12C11C10H201.1°0.3°
H15C27C28H240.7°0.0°
H16C32H17H18120.0°120.0°
H21C13C14H220.5°0.2°
H24C28C29H250.5°0.2°

223790

PDB entries from 2024-08-14

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