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AU5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OC4doub1.22Å1.21Å
C4N2sing1.35Å1.41Å
C4N3sing1.35Å1.42Å
N2C10sing1.46Å1.45Å
N2C2sing1.39Å1.40Å
C2C3sing1.38Å1.37ÅAromatic
C2C1doub1.40Å1.43ÅAromatic
C3Ndoub1.33Å1.34ÅAromatic
NCsing1.33Å1.38ÅAromatic
N3C5sing1.46Å1.47Å
N3C1sing1.38Å1.40Å
C5C9sing1.54Å1.54Å
C5C6sing1.54Å1.53Å
C9C8sing1.54Å1.53Å
C8C7sing1.55Å1.53Å
C7C6sing1.55Å1.53Å
C1N1sing1.33Å1.34ÅAromatic
N1Cdoub1.33Å1.38ÅAromatic
CN4sing1.39Å1.38Å
N4C11sing1.40Å1.41Å
C11C16sing1.39Å1.39ÅAromatic
C11C12doub1.39Å1.40ÅAromatic
C16O1sing1.36Å1.36Å
C16C15doub1.39Å1.38ÅAromatic
O1C17sing1.43Å1.40Å
C15C14sing1.39Å1.38ÅAromatic
C14C13doub1.39Å1.40ÅAromatic
C14O2sing1.36Å1.36Å
C13C12sing1.38Å1.38ÅAromatic
O2C18sing1.43Å1.41Å
C18C22sing1.53Å1.54Å
C18C19sing1.53Å1.53Å
C22C21sing1.53Å1.53Å
C21N5sing1.47Å1.48Å
N5C23sing1.47Å1.48Å
N5C20sing1.47Å1.48Å
C20C19sing1.53Å1.54Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C10H103sing1.09Å1.10Å
C3H3sing1.08Å1.08Å
C5H5sing1.09Å1.10Å
C9H91Csing1.09Å1.10Å
C9H92Csing1.09Å1.10Å
C6H61Csing1.09Å1.10Å
C6H62Csing1.09Å1.10Å
C8H81Csing1.09Å1.10Å
C8H82Csing1.09Å1.10Å
C7H71Csing1.09Å1.10Å
C7H72Csing1.09Å1.10Å
N4H4sing0.97Å1.00Å
C12H12sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H173sing1.09Å1.10Å
C13H13sing1.08Å1.08Å
C18H18sing1.09Å1.10Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C23H233sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OC4N2125.0°125.1°
OC4N3127.4°125.2°
N2C4N3107.6°109.7°
C4N2C10124.0°125.9°
C4N2C2108.6°108.1°
C4N3C5125.5°125.7°
C4N3C1108.2°108.7°
C10N2C2127.4°126.0°
N2C10H101109.5°109.5°
N2C10H102109.4°109.4°
N2C10H103109.5°109.4°
N2C2C3134.6°134.5°
N2C2C1107.8°106.8°
C3C2C1117.6°118.7°
C2C3N120.9°118.9°
C2C3H3119.5°120.6°
C2C1N3107.9°106.8°
C2C1N1124.9°119.1°
C3NC116.9°121.0°
NC3H3119.5°120.5°
NCN1127.9°122.0°
NCN4112.4°119.0°
C5N3C1126.4°125.7°
N3C5C9112.3°110.0°
N3C5C6112.1°110.0°
N3C5H5109.9°110.0°
N3C1N1127.2°134.2°
C9C5C6104.6°106.6°
C5C9C8106.2°106.6°
C9C5H5108.9°110.0°
C5C9H91C110.3°110.0°
C5C9H92C110.3°110.1°
C5C6C7106.9°104.2°
C6C5H5108.9°110.1°
C5C6H61C110.1°110.5°
C5C6H62C110.1°110.5°
C9C8C7107.1°104.2°
C8C9H91C110.3°110.0°
C8C9H92C110.3°110.0°
C9C8H81C110.0°110.5°
C9C8H82C110.0°110.5°
C8C7C6107.1°102.8°
C7C8H81C110.0°110.5°
C7C8H82C110.0°110.5°
C8C7H71C110.1°110.7°
C8C7H72C110.1°110.8°
C7C6H61C110.1°110.5°
C7C6H62C110.1°110.5°
C6C7H71C110.1°110.7°
C6C7H72C110.1°110.8°
C1N1C111.7°120.3°
N1CN4119.6°119.0°
CN4C11128.6°120.0°
CN4H4115.7°120.0°
N4C11C16122.0°120.1°
N4C11C12119.2°120.0°
C11N4H4115.7°120.0°
C16C11C12118.7°119.9°
C11C16O1120.0°120.1°
C11C16C15121.8°119.9°
C11C12C13120.2°120.1°
C11C12H12119.9°120.0°
O1C16C15118.1°120.0°
C16O1C17112.9°117.0°
C16C15C14118.4°119.9°
C16C15H15120.8°120.0°
O1C17H171109.5°109.4°
O1C17H172109.5°109.4°
O1C17H173109.5°109.4°
C15C14C13121.4°120.1°
C15C14O2120.8°119.9°
C14C15H15120.8°120.1°
C13C14O2117.7°119.9°
C14C13C12119.3°120.0°
C14C13H13120.3°120.0°
C14O2C18118.3°117.0°
C13C12H12119.9°119.9°
C12C13H13120.4°120.0°
O2C18C22106.3°109.5°
O2C18C19105.4°109.5°
O2C18H18113.1°109.5°
C22C18C19109.5°109.2°
C18C22C21109.7°109.2°
C22C18H18111.1°109.6°
C18C22H221109.4°109.5°
C18C22H222109.4°109.5°
C18C19C20109.3°109.3°
C19C18H18111.1°109.6°
C18C19H191109.5°109.5°
C18C19H192109.5°109.5°
C22C21N5113.1°109.6°
C21C22H221109.4°109.5°
C21C22H222109.4°109.5°
C22C21H211108.6°109.5°
C22C21H212108.6°109.5°
C21N5C23111.8°111.0°
C21N5C20109.5°111.2°
N5C21H211108.5°109.5°
N5C21H212108.6°109.5°
C23N5C20112.7°111.0°
N5C23H231109.5°109.5°
N5C23H232109.5°109.5°
N5C23H233109.5°109.4°
N5C20C19114.1°109.5°
N5C20H201108.3°109.5°
N5C20H202108.3°109.4°
C20C19H191109.5°109.5°
C20C19H192109.5°109.5°
C19C20H201108.3°109.5°
C19C20H202108.3°109.4°
H101C10H102109.5°109.5°
H101C10H103109.5°109.5°
H102C10H103109.5°109.5°
H91CC9H92C109.5°110.0°
H61CC6H62C109.5°110.5°
H81CC8H82C109.5°110.6°
H71CC7H72C109.4°110.8°
H171C17H172109.5°109.5°
H171C17H173109.4°109.5°
H172C17H173109.5°109.5°
H221C22H222109.4°109.6°
H191C19H192109.5°109.5°
H211C21H212109.5°109.4°
H231C23H232109.5°109.5°
H231C23H233109.5°109.5°
H232C23H233109.4°109.5°
H201C20H202109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OC4N2N3179.6°179.7°
OC4N2C100.2°0.0°
OC4N2C2179.6°180.0°
OC4N3C51.8°0.0°
OC4N3C1179.1°179.9°
C4N2C10C2179.2°179.9°
C4N2C2C3180.0°180.0°
C4N2C2C10.4°0.0°
N2C4N3C5178.6°179.8°
N2C4N3C10.4°0.4°
C4N2C10H101180.0°0.0°
C4N2C10H10260.0°120.0°
C4N2C10H10360.0°120.1°
N3C4N2C10179.3°179.7°
N3C4N2C20.0°0.2°
C4N3C1C20.7°0.4°
C4N3C5C1178.8°179.8°
C4N3C5C9119.5°60.0°
C4N3C5C6123.1°57.2°
C4N3C1N1178.5°180.0°
C4N3C5H51.9°178.7°
C10N2C2C30.6°0.1°
C10N2C2C1178.9°180.0°
N2C10H101H102120.0°120.0°
N2C10H101H103120.0°120.0°
N2C10H102H103120.0°119.9°
N2C2C3C1179.5°180.0°
N2C2C3N178.7°180.0°
N2C2C1N30.7°0.3°
N2C2C1N1178.5°180.0°
C2N2C10H1010.8°179.9°
C2N2C10H102119.3°59.9°
C2N2C10H103120.8°60.0°
N2C2C3H31.3°0.0°
C2C3NH3180.0°180.0°
C2C3NC0.5°0.1°
C3C2C1N3179.7°179.7°
C3C2C1N11.1°0.1°
C1C2C3N0.7°0.1°
C2C1N3C5178.3°179.8°
C2C1N3N1179.1°179.6°
C2C1N1C0.1°0.1°
C1C2C3H3179.2°179.9°
C3NCN11.8°0.1°
C3NCN4176.4°180.0°
NCN1C11.4°0.1°
NCN1N4178.1°179.9°
NCN4C11178.6°6.3°
CNC3H3179.5°179.9°
NCN4H41.4°173.7°
N3C5C9C6121.7°119.3°
N3C5C9H5121.9°121.4°
N3C5C6H5121.8°121.4°
N3C5C9C8150.2°119.3°
N3C5C6C7147.9°95.7°
C5N3C1N12.5°0.2°
N3C5C9H91C30.7°0.0°
N3C5C9H92C90.3°121.4°
N3C5C6H61C92.5°145.6°
N3C5C6H62C28.3°23.0°
C1N3C5C959.3°119.8°
C1N3C5C658.0°123.0°
N3C1N1C179.1°179.7°
C1N3C5H5179.3°1.5°
C9C5C6H5116.3°119.3°
C5C9C8H91C119.5°119.3°
C5C9C8H92C119.5°119.3°
C5C9C8C720.2°23.6°
C9C5C6C726.1°23.6°
C5C9H91CH92C121.5°121.4°
C9C5C6H61C145.7°95.1°
C9C5C6H62C93.5°142.3°
C5C9C8H81C139.8°142.3°
C5C9C8H82C99.4°95.1°
C6C5C9C828.4°0.0°
C5C6C7C813.9°37.9°
C5C6C7H61C119.6°118.7°
C5C6C7H62C119.6°118.7°
C6C5C9H91C91.0°119.3°
C6C5C9H92C147.9°119.3°
C5C6H61CH62C121.2°122.6°
C5C6C7H71C133.5°80.4°
C5C6C7H72C105.8°156.3°
C9C8C7H81C119.6°118.7°
C9C8C7H82C119.6°118.6°
C9C8C7C63.9°37.9°
C8C9C5H587.9°119.3°
C8C9H91CH92C121.5°121.4°
C9C8H81CH82C121.1°122.6°
C9C8C7H71C115.7°80.4°
C9C8C7H72C123.6°156.3°
C8C7C6H71C119.7°118.3°
C8C7C6H72C119.7°118.4°
C7C8C9H91C99.3°95.7°
C7C8C9H92C139.7°142.9°
C8C7C6H61C133.5°80.8°
C8C7C6H62C105.7°156.7°
C7C8H81CH82C121.1°122.6°
C8C7H71CH72C121.1°123.3°
C7C6C5H590.3°142.9°
C7C6H61CH62C121.2°122.6°
C6C7C8H81C123.6°156.6°
C6C7C8H82C115.7°80.7°
C6C7H71CH72C121.1°123.3°
C1N1CN4176.7°180.0°
N1CN4C110.3°173.7°
N1CN4H4179.7°6.4°
CN4C11H4180.0°179.9°
CN4C11C16137.0°149.4°
CN4C11C1243.3°30.4°
N4C11C16C12179.7°179.8°
N4C11C16O12.4°0.1°
N4C11C16C15178.8°180.0°
N4C11C12C13179.0°179.7°
N4C11C12H121.0°0.1°
C11C16O1C15178.9°179.9°
C11C16O1C17118.0°180.0°
C11C16C15C140.2°0.1°
C16C11C12C130.6°0.5°
C16C11N4H443.0°30.5°
C16C11C12H12179.3°179.7°
C11C16C15H15179.9°180.0°
C12C11C16O1178.0°179.7°
C12C11C16C150.9°0.2°
C11C12C13C140.3°0.6°
C11C12C13H12180.0°179.8°
C12C11N4H4136.7°149.7°
C11C12C13H13179.6°179.7°
O1C16C15C14178.7°180.0°
O1C16C15H151.3°0.1°
C16O1C17H171180.0°60.0°
C16O1C17H17260.0°60.0°
C16O1C17H17360.0°179.9°
C15C16O1C1763.1°0.1°
C16C15C14H15180.0°179.9°
C16C15C14C130.9°0.0°
C16C15C14O2176.1°179.9°
O1C17H171H172120.0°120.0°
O1C17H171H173120.0°120.0°
O1C17H172H173120.0°119.9°
C15C14C13O2177.1°179.9°
C15C14C13C121.1°0.3°
C15C14O2C18122.1°178.5°
C15C14C13H13178.9°180.0°
C14C13C12H13180.0°179.7°
C13C14O2C1860.8°1.6°
C14C13C12H12179.7°179.7°
C13C14C15H15179.1°179.9°
O2C14C13C12176.0°179.7°
C14O2C18C22160.7°158.0°
C14O2C18C1983.1°82.3°
O2C14C15H153.9°0.0°
O2C14C13H134.1°0.0°
C14O2C18H1838.5°37.9°
O2C18C22C19113.3°119.9°
O2C18C22H18123.5°120.1°
O2C18C19H18122.9°120.1°
O2C18C22C21170.5°177.5°
O2C18C19C20169.8°177.5°
O2C18C22H22150.5°57.6°
O2C18C22H22269.4°62.5°
O2C18C19H19170.2°62.5°
O2C18C19H19249.8°57.6°
C22C18C19H18123.1°120.0°
C18C22C21H221120.1°119.9°
C18C22C21H222120.0°119.9°
C18C22C21N558.2°59.2°
C22C18C19C2055.8°57.7°
C18C22H221H222119.9°120.1°
C22C18C19H191175.8°177.6°
C22C18C19H19264.2°62.3°
C18C22C21H211178.7°179.2°
C18C22C21H21262.4°60.9°
C19C18C22C2157.2°57.7°
C18C19C20N556.3°59.1°
C18C19C20H191120.0°120.0°
C18C19C20H192120.0°119.9°
C19C18C22H22162.9°62.2°
C19C18C22H222177.2°177.6°
C18C19H191H192120.1°120.1°
C18C19C20H201177.0°179.2°
C18C19C20H20264.4°60.8°
C22C21N5H211120.6°120.0°
C22C21N5H212120.6°120.0°
C22C21N5C23178.5°174.2°
C22C21N5C2055.9°61.7°
C21C22C18H1866.0°62.4°
C21C22H221H222119.9°120.1°
C22C21H211H212118.4°119.9°
C21N5C23C20123.8°124.2°
C21N5C20C1955.3°61.7°
N5C21C22H22161.8°60.7°
N5C21C22H222178.3°179.1°
N5C21H211H212118.3°120.0°
C21N5C23H231180.0°60.0°
C21N5C23H23260.0°180.0°
C21N5C23H23360.0°60.0°
C21N5C20H201176.0°178.2°
C21N5C20H20265.4°58.3°
C23N5C20C19179.6°174.2°
C23N5C21H21157.9°54.1°
C23N5C21H21261.0°65.8°
N5C23H231H232120.0°120.0°
N5C23H231H233120.0°119.9°
N5C23H232H233120.0°119.9°
C23N5C20H20158.9°54.1°
C23N5C20H20259.7°65.8°
N5C20C19H201120.7°120.1°
N5C20C19H202120.7°120.0°
N5C20C19H191176.3°179.1°
N5C20C19H19263.7°60.8°
C20N5C21H211176.5°178.2°
C20N5C21H21264.7°58.3°
C20N5C23H23156.2°64.2°
C20N5C23H232176.2°55.8°
C20N5C23H23363.8°175.8°
N5C20H201H202117.9°120.0°
C20C19C18H1867.3°62.4°
C20C19H191H192120.0°120.1°
C19C20H201H202117.9°119.9°
H101C10H102H103120.0°120.1°
H5C5C9H91C152.6°121.4°
H5C5C9H92C31.6°0.1°
H5C5C6H61C29.3°24.2°
H5C5C6H62C150.1°98.4°
H91CC9C8H81C20.4°23.0°
H91CC9C8H82C141.1°145.6°
H92CC9C8H81C100.7°98.4°
H92CC9C8H82C20.1°24.2°
H61CC6C7H71C106.9°160.9°
H61CC6C7H72C13.8°37.6°
H62CC6C7H71C13.9°38.3°
H62CC6C7H72C134.6°85.0°
H81CC8C7H71C3.9°38.3°
H81CC8C7H72C116.8°85.0°
H82CC8C7H71C124.7°161.0°
H82CC8C7H72C4.0°37.7°
H12C12C13H130.4°0.1°
H171C17H172H173119.9°120.1°
H18C18C22H221174.0°177.7°
H18C18C22H22254.1°57.6°
H18C18C19H19152.7°57.6°
H18C18C19H192172.7°177.7°
H221C22C21H21158.7°59.3°
H221C22C21H212177.6°179.2°
H222C22C21H21161.2°60.9°
H222C22C21H21257.7°59.0°
H191C19C20H20163.0°60.8°
H191C19C20H20255.6°59.2°
H192C19C20H20157.0°59.3°
H192C19C20H202175.7°179.3°
H231C23H232H233120.0°120.0°

251174

PDB entries from 2026-03-25

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