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4IG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N1sing1.33Å1.36ÅAromatic
C1C4doub1.41Å1.42ÅAromatic
C1N3sing1.38Å1.34Å
N1C2doub1.33Å1.34ÅAromatic
C2N2sing1.33Å1.34ÅAromatic
C2N4sing1.38Å1.33Å
N2C3doub1.32Å1.36ÅAromatic
C3C4sing1.39Å1.43ÅAromatic
C3C5sing1.51Å1.52Å
C4C12sing1.48Å1.48ÅAromatic
N3HN31sing0.97Å1.00Å
N3HN32sing0.97Å1.00Å
N4HN41sing0.97Å1.00Å
N4HN42sing0.97Å1.00Å
C5C6sing1.53Å1.53Å
C5H51sing1.09Å1.10Å
C5H52sing1.09Å1.10Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C6H63sing1.09Å1.10Å
C7C8doub1.38Å1.43ÅAromatic
C7C12sing1.39Å1.41ÅAromatic
C7H7sing1.08Å1.08Å
C8C9sing1.39Å1.42ÅAromatic
C8H8sing1.08Å1.08Å
C9C10doub1.39Å1.45ÅAromatic
C9O3sing1.36Å1.43Å
C10C11sing1.38Å1.40ÅAromatic
C10N5sing1.41Å1.43Å
C11C12doub1.40Å1.40ÅAromatic
C11H11sing1.08Å1.08Å
O3C14sing1.42Å1.44Å
C14C15sing1.51Å1.54Å
C14C22sing1.51Å1.49Å
C14H14sing1.09Å1.10Å
C15N5sing1.36Å1.40Å
C15O4doub1.21Å1.21Å
N5C16sing1.46Å1.49Å
C16C17sing1.53Å1.53Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C17C18sing1.53Å1.53Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C18O1sing1.43Å1.41Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
O1C19sing1.43Å1.41Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
C20C21doub1.38Å1.41ÅAromatic
C20C25sing1.38Å1.42ÅAromatic
C20F2sing1.35Å1.33Å
C21C22sing1.38Å1.42ÅAromatic
C21H21sing1.08Å1.08Å
C22C23doub1.38Å1.41ÅAromatic
C23C24sing1.38Å1.39ÅAromatic
C23H23sing1.08Å1.08Å
C24C25doub1.38Å1.40ÅAromatic
C24F1sing1.35Å1.33Å
C25H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C1C4124.0°118.9°
N1C1N3115.4°120.6°
C1N1C2116.4°120.7°
C4C1N3120.6°120.5°
C1C4C3114.7°118.2°
C1C4C12121.8°120.9°
C1N3HN31109.5°120.0°
C1N3HN32109.5°120.0°
N1C2N2124.5°121.9°
N1C2N4118.7°119.0°
N2C2N4116.8°119.1°
C2N2C3120.2°121.1°
C2N4HN41109.5°119.9°
C2N4HN42109.5°120.1°
N2C3C4120.0°119.2°
N2C3C5116.6°120.4°
C4C3C5123.4°120.4°
C3C4C12123.1°120.9°
C3C5C6112.9°109.5°
C3C5H51108.3°109.5°
C3C5H52107.5°109.5°
C4C12C7124.9°120.2°
C4C12C11116.3°120.1°
HN31N3HN32109.4°120.0°
HN41N4HN42109.5°120.0°
C6C5H51108.3°109.5°
C6C5H52107.5°109.4°
C5C6H61109.5°109.5°
C5C6H62109.4°109.5°
C5C6H63109.4°109.5°
H51C5H52112.2°109.5°
H61C6H62109.5°109.5°
H61C6H63109.5°109.5°
H62C6H63109.5°109.4°
C8C7C12120.3°120.3°
C8C7H7119.9°119.8°
C7C8C9120.3°120.3°
C7C8H8119.9°119.9°
C12C7H7119.8°119.9°
C7C12C11118.8°119.7°
C9C8H8119.9°119.8°
C8C9C10119.7°119.4°
C8C9O3119.6°119.6°
C10C9O3120.6°120.9°
C9C10C11117.5°120.6°
C9C10N5119.3°119.1°
C9O3C14107.1°109.5°
C11C10N5123.2°120.3°
C10C11C12123.5°119.7°
C10C11H11118.3°120.2°
C10N5C15120.9°116.5°
C10N5C16122.9°121.8°
C12C11H11118.3°120.1°
O3C14C15114.7°110.5°
O3C14C22121.5°109.3°
O3C14H14120.4°109.3°
C15C14C22123.5°109.2°
C15C14H14105.0°109.3°
C14C15N5108.0°118.0°
C14C15O4123.9°121.0°
C22C14H1449.5°109.3°
C14C22C21125.5°120.0°
C14C22C23114.4°120.0°
N5C15O4128.0°121.0°
C15N5C16116.2°121.7°
N5C16C17114.1°109.4°
N5C16H161107.9°109.5°
N5C16H162106.9°109.5°
C17C16H161108.0°109.5°
C17C16H162106.9°109.5°
C16C17C18111.4°109.5°
C16C17H171108.8°109.5°
C16C17H172108.4°109.5°
H161C16H162113.2°109.5°
C18C17H171108.8°109.5°
C18C17H172108.4°109.5°
C17C18O1108.2°109.5°
C17C18H181109.9°109.5°
C17C18H182110.2°109.5°
H171C17H172111.0°109.5°
O1C18H181109.9°109.5°
O1C18H182110.2°109.4°
C18O1C19115.5°106.8°
H181C18H182108.5°109.5°
O1C19H191109.5°109.5°
O1C19H192109.5°109.5°
O1C19H193109.5°109.5°
H191C19H192109.5°109.5°
H191C19H193109.4°109.4°
H192C19H193109.5°109.4°
C21C20C25122.6°120.0°
C21C20F2119.2°120.0°
C20C21C22118.2°120.0°
C20C21H21120.9°120.0°
C25C20F2118.2°120.0°
C20C25C24117.3°119.9°
C20C25H25121.3°120.0°
C22C21H21120.9°120.0°
C21C22C23119.6°120.1°
C22C23C24120.8°120.0°
C22C23H23119.6°120.0°
C24C23H23119.6°120.0°
C23C24C25121.4°120.0°
C23C24F1117.0°120.0°
C25C24F1121.6°120.0°
C24C25H25121.3°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C1C4N3179.2°179.8°
C1N1C2N21.0°0.0°
C1N1C2N4178.4°180.0°
N1C1C4C33.6°0.5°
N1C1C4C12169.6°180.0°
N1C1N3HN3152.4°0.1°
N1C1N3HN3267.6°179.9°
C4C1N1C21.5°0.3°
C1C4C3N23.3°0.5°
C1C4C3C12173.1°179.5°
C1C4C3C5177.4°179.8°
C4C1N3HN31128.3°179.6°
C4C1N3HN32111.7°0.2°
C1C4C12C797.3°115.0°
C1C4C12C1182.5°65.3°
N3C1N1C2179.3°180.0°
N3C1C4C3177.2°179.7°
N3C1C4C129.6°0.2°
C1N3HN31HN32120.0°179.8°
N1C2N2N4179.4°180.0°
N1C2N2C31.1°0.0°
N1C2N4HN41148.4°180.0°
N1C2N4HN4291.5°0.0°
C2N2C3C41.2°0.3°
C2N2C3C5179.5°180.0°
N2C2N4HN4132.1°0.0°
N2C2N4HN4287.9°180.0°
N4C2N2C3178.3°180.0°
C2N4HN41HN42120.0°180.0°
N2C3C4C5179.2°179.7°
N2C3C4C12169.8°180.0°
N2C3C5C677.5°90.0°
N2C3C5H5142.5°30.0°
N2C3C5H52164.0°150.0°
C4C3C5C6101.8°90.3°
C4C3C5H51138.2°149.7°
C4C3C5H5216.7°29.7°
C3C4C12C790.1°65.4°
C3C4C12C1190.1°114.2°
C5C3C4C129.5°0.2°
C3C5C6H51120.0°120.0°
C3C5C6H52118.5°120.0°
C3C5H51H52118.6°120.0°
C3C5C6H6163.7°180.0°
C3C5C6H6256.3°60.0°
C3C5C6H63176.4°60.0°
C4C12C7C8179.9°179.8°
C4C12C7C11179.8°179.6°
C4C12C7H70.1°0.1°
C4C12C11C10179.8°179.7°
C4C12C11H110.2°0.0°
C6C5H51H52118.6°120.0°
C5C6H61H62120.0°120.0°
C5C6H61H63120.0°120.0°
C5C6H62H63120.0°120.0°
H51C5C6H61176.3°59.9°
H51C5C6H6263.7°60.1°
H51C5C6H6356.3°180.0°
H52C5C6H6154.8°60.0°
H52C5C6H62174.8°180.0°
H52C5C6H6365.2°60.0°
H61C6H62H63120.0°120.0°
C8C7C12H7180.0°179.9°
C7C8C9H8180.0°180.0°
C7C8C9C100.2°0.2°
C7C8C9O3179.6°179.4°
C8C7C12C110.1°0.6°
C12C7C8C90.2°0.1°
C12C7C8H8179.8°179.8°
C7C12C11C100.0°0.6°
C7C12C11H11180.0°179.7°
H7C7C8C9179.8°180.0°
H7C7C8H80.2°0.1°
H7C7C12C11179.9°179.5°
C8C9C10O3179.8°179.6°
C8C9C10C110.1°0.2°
C8C9C10N5179.6°179.4°
C8C9O3C14150.1°140.2°
H8C8C9C10179.8°179.8°
H8C8C9O30.4°0.6°
C9C10C11N5179.4°179.6°
C9C10C11C120.0°0.2°
C9C10C11H11180.0°180.0°
C10C9O3C1429.7°40.2°
C9C10N5C151.2°19.8°
C9C10N5C16179.8°160.1°
O3C9C10C11179.7°179.4°
O3C9C10N50.2°1.0°
C9O3C14C1559.9°56.7°
C9O3C14C22114.7°63.4°
C9O3C14H14173.1°177.0°
C10C11C12H11180.0°179.7°
C11C10N5C15178.2°159.8°
C11C10N5C160.3°20.3°
N5C10C11C12179.4°179.8°
N5C10C11H110.6°0.5°
C10N5C15C1425.1°0.1°
C10N5C15C16178.6°179.9°
C10N5C15O4159.2°180.0°
C10N5C16C1787.7°90.0°
C10N5C16H161152.3°29.9°
C10N5C16H16230.2°149.9°
O3C14C15C22174.5°120.2°
O3C14C15H14134.5°120.3°
O3C14C22H14104.8°119.6°
O3C14C15N558.9°38.6°
O3C14C15O4125.2°141.4°
O3C14C22C21120.6°161.6°
O3C14C22C2367.4°18.7°
C15C14C22H1481.0°119.5°
C14C15N5O4175.7°179.9°
C14C15N5C16153.5°179.9°
C15C14C22C2165.3°40.7°
C15C14C22C23106.8°139.6°
C22C14C15N5115.6°81.5°
C22C14C15O460.3°98.4°
C14C22C21C20170.4°180.0°
C14C22C21C23171.7°179.7°
C14C22C21H219.6°0.0°
C14C22C23C24171.2°179.8°
C14C22C23H238.8°0.2°
H14C14C15N5166.6°159.0°
H14C14C15O49.3°21.1°
H14C14C22C2115.7°78.8°
H14C14C22C23172.2°100.9°
C15N5C16C1793.7°90.1°
C15N5C16H16126.3°150.0°
C15N5C16H162148.4°29.9°
O4C15N5C1622.2°0.1°
N5C16C17H161120.0°120.0°
N5C16C17H162117.9°120.0°
N5C16H161H162118.1°120.0°
N5C16C17C18155.9°180.0°
N5C16C17H17135.9°60.0°
N5C16C17H17285.0°60.0°
C17C16H161H162118.1°120.0°
C16C17C18H171120.0°120.0°
C16C17C18H172119.2°120.0°
C16C17H171H172119.2°120.0°
C16C17C18O1162.9°180.0°
C16C17C18H18142.9°60.0°
C16C17C18H18276.6°60.0°
H161C16C17C1884.1°60.0°
H161C16C17H171155.9°180.0°
H161C16C17H17235.0°60.0°
H162C16C17C1837.9°60.0°
H162C16C17H17182.1°60.0°
H162C16C17H172157.1°180.0°
C18C17H171H172119.2°120.0°
C17C18O1H181120.0°120.0°
C17C18O1H182120.5°120.0°
C17C18H181H182120.5°120.0°
C17C18O1C19179.7°180.0°
H171C17C18O177.1°60.0°
H171C17C18H181162.9°180.0°
H171C17C18H18243.4°60.0°
H172C17C18O143.8°60.0°
H172C17C18H18176.2°60.0°
H172C17C18H182164.3°180.0°
O1C18H181H182120.5°120.0°
C18O1C19H191122.9°60.0°
C18O1C19H192117.1°180.0°
C18O1C19H1932.9°60.0°
H181C18O1C1960.3°60.0°
H182C18O1C1959.2°60.0°
O1C19H191H192120.0°120.1°
O1C19H191H193120.0°120.0°
O1C19H192H193120.0°120.0°
H191C19H192H193120.0°119.9°
C21C20C25F2179.7°179.9°
C20C21C22H21180.0°180.0°
C20C21C22C231.3°0.2°
C21C20C25C240.2°0.1°
C21C20C25H25179.8°180.0°
C25C20C21C220.5°0.1°
C25C20C21H21179.5°180.0°
C20C25C24C230.1°0.2°
C20C25C24H25180.0°179.9°
C20C25C24F1180.0°179.9°
F2C20C21C22179.2°180.0°
F2C20C21H210.8°0.0°
F2C20C25C24179.9°180.0°
F2C20C25H250.1°0.1°
C21C22C23C241.4°0.5°
C21C22C23H23178.6°180.0°
H21C21C22C23178.7°179.8°
C22C23C24H23180.0°179.5°
C22C23C24C250.7°0.5°
C22C23C24F1179.2°179.8°
C23C24C25F1179.9°179.7°
C23C24C25H25179.9°179.7°
H23C23C24C25179.4°180.0°
H23C23C24F10.8°0.3°
F1C24C25H250.0°0.0°

246704

PDB entries from 2025-12-24

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