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627

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C15sing1.47Å1.46Å
N1C16sing1.47Å1.47Å
N1C25sing1.35Å1.43Å
N2N4sing1.40Å1.31ÅAromatic
N2HN2sing0.97Å1.00Å
N2C13sing1.35Å1.32ÅAromatic
C3N4doub1.31Å1.36ÅAromatic
C3N5sing1.40Å1.36Å
C3C14sing1.41Å1.42ÅAromatic
N5C6sing1.35Å1.38Å
N5HN5sing0.97Å1.00Å
C6C7sing1.48Å1.52Å
C6O8doub1.22Å1.22Å
C7C9sing1.40Å1.42ÅAromatic
C7C12doub1.40Å1.44ÅAromatic
C9C10doub1.38Å1.42ÅAromatic
C9H9sing1.08Å1.08Å
C10C24sing1.39Å1.45ÅAromatic
C10H10sing1.08Å1.08Å
C11C12sing1.38Å1.41ÅAromatic
C11C24doub1.39Å1.45ÅAromatic
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C13C14doub1.35Å1.34ÅAromatic
C13C16sing1.51Å1.50Å
C14C15sing1.51Å1.48Å
C15H15sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
N17C18sing1.47Å1.52Å
N17C22sing1.47Å1.50Å
N17C24sing1.39Å1.47Å
C18C19sing1.53Å1.56Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C19N20sing1.47Å1.47Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
N20C21sing1.47Å1.47Å
N20C23sing1.47Å1.47Å
C21C22sing1.53Å1.56Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C23H233sing1.09Å1.10Å
C25O26doub1.21Å1.23Å
C25C20sing1.51Å1.61Å
C27C28sing1.38Å1.42ÅAromatic
C27C29doub1.38Å1.43ÅAromatic
C27C20sing1.51Å1.55Å
C28C31doub1.38Å1.41ÅAromatic
C28H28sing1.08Å1.08Å
C29C33sing1.38Å1.41ÅAromatic
C29H29sing1.08Å1.08Å
C31C35sing1.38Å1.42ÅAromatic
C31H31sing1.08Å1.08Å
C33C35doub1.38Å1.42ÅAromatic
C33H33sing1.08Å1.08Å
C20O34sing1.43Å1.46Å
C20H20sing1.09Å1.10Å
C35H35sing1.08Å1.08Å
C36O34sing1.43Å1.42Å
C36H361sing1.09Å1.10Å
C36H362sing1.09Å1.10Å
C36H363sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15N1C16110.3°106.3°
C15N1C25128.5°126.9°
N1C15C14102.3°107.5°
N1C15H15111.2°109.9°
N1C15H151111.3°109.8°
C16N1C25121.2°126.8°
N1C16C13105.6°107.5°
N1C16H16110.4°109.8°
N1C16H161110.4°109.9°
N1C25O26121.4°120.0°
N1C25C20118.1°120.0°
N4N2HN2123.8°126.0°
N4N2C13112.3°108.0°
N2N4C3106.6°108.2°
HN2N2C13123.8°126.0°
N2C13C14108.3°107.9°
N2C13C16144.7°142.8°
N4C3N5117.8°126.0°
N4C3C14107.0°108.0°
N5C3C14135.1°126.0°
C3N5C6128.6°120.0°
C3N5HN5115.7°120.0°
C3C14C13105.7°107.9°
C3C14C15139.4°142.8°
C6N5HN5115.7°120.0°
N5C6C7117.3°120.0°
N5C6O8123.5°120.0°
C7C6O8119.2°120.0°
C6C7C9123.5°120.1°
C6C7C12118.8°120.1°
C9C7C12117.7°119.9°
C7C9C10121.3°119.9°
C7C9H9119.4°120.0°
C7C12C11121.3°119.9°
C7C12H12119.3°120.1°
C10C9H9119.4°120.0°
C9C10C24122.2°120.1°
C9C10H10118.9°120.0°
C24C10H10118.9°119.9°
C10C24C11115.3°120.1°
C10C24N17124.8°119.9°
C12C11C24122.2°120.1°
C12C11H11118.9°120.0°
C11C12H12119.3°120.0°
C24C11H11118.9°120.0°
C11C24N17119.9°120.0°
C14C13C16107.0°109.3°
C13C14C15114.8°109.4°
C13C16H16110.4°109.8°
C13C16H161110.4°109.9°
C14C15H15111.2°109.9°
C14C15H151111.3°109.8°
H15C15H151109.5°109.9°
H16C16H161109.5°109.9°
C18N17C22113.2°110.9°
C18N17C24113.6°111.0°
N17C18C19119.4°109.4°
N17C18H181106.9°109.5°
N17C18H182106.9°109.5°
C22N17C24113.9°111.0°
N17C22C21120.0°109.4°
N17C22H221106.8°109.4°
N17C22H222106.8°109.5°
C19C18H181106.9°109.5°
C19C18H182106.9°109.5°
C18C19N20113.6°109.4°
C18C19H191108.4°109.5°
C18C19H192108.4°109.5°
H181C18H182109.5°109.5°
N20C19H191108.5°109.4°
N20C19H192108.5°109.5°
C19N20C21109.8°110.8°
C19N20C23111.3°111.0°
H191C19H192109.5°109.5°
C21N20C23111.1°111.0°
N20C21C22113.1°109.4°
N20C21H211108.6°109.5°
N20C21H212108.6°109.4°
N20C23H231109.5°109.4°
N20C23H232109.5°109.5°
N20C23H233109.5°109.5°
C22C21H211108.6°109.5°
C22C21H212108.5°109.5°
C21C22H221106.8°109.5°
C21C22H222106.8°109.5°
H211C21H212109.5°109.5°
H221C22H222109.5°109.5°
H231C23H232109.5°109.5°
H231C23H233109.5°109.5°
H232C23H233109.4°109.5°
O26C25C20120.4°120.0°
C25C20C27109.2°109.4°
C25C20O34106.8°109.5°
C25C20H20108.7°109.5°
C28C27C29118.2°120.0°
C28C27C20121.5°120.0°
C27C28C31120.7°120.0°
C27C28H28119.6°120.0°
C29C27C20120.3°120.0°
C27C29C33121.3°120.0°
C27C29H29119.4°120.0°
C27C20O34111.8°109.5°
C27C20H20109.5°109.4°
C31C28H28119.7°120.0°
C28C31C35120.4°120.0°
C28C31H31119.8°120.0°
C33C29H29119.4°120.0°
C29C33C35120.0°120.0°
C29C33H33120.0°120.0°
C35C31H31119.8°120.0°
C31C35C33119.4°120.0°
C31C35H35120.3°120.1°
C35C33H33120.0°120.0°
C33C35H35120.3°120.0°
O34C20H20110.7°109.5°
C20O34C36115.3°113.9°
O34C36H361109.5°109.4°
O34C36H362109.5°109.5°
O34C36H363109.4°109.5°
H361C36H362109.5°109.5°
H361C36H363109.5°109.5°
H362C36H363109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15N1C16C25179.3°179.8°
N1C15C14C3179.3°180.0°
N1C15C14C130.3°0.1°
C15N1C16C130.8°0.1°
N1C15C14H15118.8°119.5°
N1C15C14H151118.9°119.4°
N1C15H15H151123.4°120.9°
C15N1C16H16118.6°119.5°
C15N1C16H161120.1°119.5°
C15N1C25O26179.5°5.0°
C15N1C25C201.4°175.0°
N1C16C13N2179.4°180.0°
N1C16C13C140.6°0.0°
N1C16C13H16119.4°119.4°
N1C16C13H161119.4°119.5°
C16N1C15C140.6°0.1°
C16N1C15H15119.5°119.5°
C16N1C15H151118.2°119.5°
N1C16H16H161121.8°121.0°
C16N1C25O260.3°174.8°
C16N1C25C20177.8°5.2°
C25N1C16C13178.6°179.7°
C25N1C15C14178.6°179.7°
C25N1C15H1559.8°60.7°
C25N1C15H15162.5°60.3°
C25N1C16H1662.1°60.3°
C25N1C16H16159.2°60.8°
N1C25O26C20178.1°180.0°
N1C25C20C2766.2°70.7°
N1C25C20O34172.7°169.3°
N1C25C20H2053.2°49.2°
N4N2HN2C13180.0°180.0°
N2N4C3N5180.0°180.0°
N2N4C3C140.1°0.1°
N4N2C13C140.1°0.0°
N4N2C13C16179.8°180.0°
HN2N2N4C3179.8°180.0°
HN2N2C13C14179.9°180.0°
HN2N2C13C160.2°0.0°
C13N2N4C30.2°0.0°
N2C13C14C30.0°0.0°
N2C13C14C16180.0°180.0°
N2C13C14C15179.8°180.0°
N2C13C16H1661.3°60.5°
N2C13C16H16160.0°60.5°
N4C3N5C14179.8°179.9°
N4C3N5C6179.1°0.1°
N4C3N5HN50.9°180.0°
N4C3C14C130.1°0.1°
N4C3C14C15179.6°180.0°
C3N5C6HN5180.0°179.9°
C3N5C6C7178.9°180.0°
C3N5C6O81.3°0.1°
N5C3C14C13179.9°180.0°
N5C3C14C150.3°0.1°
C14C3N5C61.1°180.0°
C14C3N5HN5178.9°0.1°
C3C14C13C15179.7°179.9°
C3C14C13C16179.9°180.0°
C3C14C15H1560.5°60.4°
C3C14C15H15161.8°60.6°
N5C6C7O8179.8°180.0°
N5C6C7C90.2°180.0°
N5C6C7C12179.7°0.3°
HN5N5C6C71.1°0.1°
HN5N5C6O8178.7°180.0°
C6C7C9C12179.9°179.7°
C6C7C9C10179.9°180.0°
C6C7C9H90.2°0.0°
C6C7C12C11179.9°180.0°
C6C7C12H120.2°0.0°
O8C6C7C9179.7°0.0°
O8C6C7C120.4°179.7°
C7C9C10H9180.0°180.0°
C7C9C10C240.2°0.0°
C7C9C10H10179.8°180.0°
C9C7C12C110.2°0.3°
C9C7C12H12179.8°179.7°
C12C7C9C100.2°0.2°
C12C7C9H9179.8°179.8°
C7C12C11H12180.0°180.0°
C7C12C11C240.1°0.0°
C7C12C11H11179.9°180.0°
C9C10C24H10180.0°180.0°
C9C10C24C110.1°0.2°
C9C10C24N17179.5°180.0°
H9C9C10C24179.8°180.0°
H9C9C10H100.2°0.0°
C10C24C11C120.0°0.2°
C10C24C11N17179.5°179.8°
C10C24C11H11180.0°179.7°
C10C24N17C18144.6°180.0°
C10C24N17C2213.0°56.3°
H10C10C24C11179.9°179.8°
H10C10C24N170.5°0.1°
C12C11C24H11180.0°179.9°
C12C11C24N17179.5°180.0°
C24C11C12H12179.9°179.9°
C11C24N17C1835.9°0.2°
C11C24N17C22167.5°123.5°
H11C11C12H120.1°0.0°
H11C11C24N170.5°0.1°
C13C14C15H15119.1°119.5°
C13C14C15H151118.6°119.5°
C14C13C16H16118.8°119.5°
C14C13C16H161119.9°119.5°
C16C13C14C150.2°0.0°
C13C16H16H161121.8°121.0°
C14C15H15H151123.4°121.0°
C18N17C22C24131.8°123.8°
N17C18C19H181121.4°120.0°
N17C18C19H182121.4°120.0°
N17C18H181H182115.5°120.0°
N17C18C19N2038.1°58.4°
N17C18C19H19182.5°178.3°
N17C18C19H192158.8°61.6°
C18N17C22C2119.9°59.3°
C18N17C22H221101.6°179.3°
C18N17C22H222141.4°60.7°
C22N17C18C1918.7°59.3°
C22N17C18H181140.1°60.7°
C22N17C18H182102.7°179.3°
N17C22C21N2040.7°58.4°
N17C22C21H221121.5°119.9°
N17C22C21H222121.5°120.0°
N17C22C21H21179.9°178.4°
N17C22C21H212161.2°61.5°
N17C22H221H222115.3°120.0°
C24N17C18C19113.2°176.8°
C24N17C18H1818.2°63.2°
C24N17C18H182125.4°56.9°
C24N17C22C21111.9°176.8°
C24N17C22H221126.7°56.9°
C24N17C22H2229.6°63.1°
C19C18H181H182115.5°120.0°
C18C19N20H191120.6°120.0°
C18C19N20H192120.6°120.0°
C18C19H191H192118.1°120.1°
C18C19N20C2156.7°59.3°
C18C19N20C23179.9°64.5°
H181C18C19N20159.5°61.6°
H181C18C19H19138.9°58.3°
H181C18C19H19279.8°178.4°
H182C18C19N2083.3°178.4°
H182C18C19H191156.1°61.7°
H182C18C19H19237.3°58.4°
N20C19H191H192118.2°120.0°
C19N20C21C23123.5°123.9°
C19N20C21C2257.7°59.3°
C19N20C21H21162.9°179.3°
C19N20C21H212178.2°60.6°
C19N20C23H231180.0°60.0°
C19N20C23H23260.0°180.0°
C19N20C23H23360.0°60.0°
H191C19N20C2163.9°179.3°
H191C19N20C2359.5°55.4°
H192C19N20C21177.3°60.7°
H192C19N20C2359.3°175.5°
N20C21C22H211120.6°120.0°
N20C21C22H212120.5°119.9°
N20C21H211H212118.4°120.0°
N20C21C22H22180.8°178.3°
N20C21C22H222162.1°61.6°
C21N20C23H23157.3°176.2°
C21N20C23H23262.7°56.2°
C21N20C23H233177.3°63.8°
C23N20C21C22178.8°64.5°
C23N20C21H21160.6°55.4°
C23N20C21H21258.3°175.5°
N20C23H231H232120.0°120.0°
N20C23H231H233120.0°120.0°
N20C23H232H233120.0°120.0°
C22C21H211H212118.3°120.1°
C21C22H221H222115.2°120.1°
H211C21C22H221158.6°61.7°
H211C21C22H22241.6°58.4°
H212C21C22H22139.7°58.4°
H212C21C22H22277.3°178.5°
H231C23H232H233120.0°120.0°
O26C25C20C27112.0°109.4°
O26C25C20O349.1°10.6°
O26C25C20H20128.6°130.7°
C25C20C27C28131.6°104.2°
C25C20C27C2947.4°75.6°
C25C20C27O34118.0°120.0°
C25C20C27H20119.0°119.9°
C25C20O34H20118.3°120.0°
C25C20O34C36170.0°150.0°
C28C27C29C20179.0°179.8°
C27C28C31H28180.0°179.9°
C28C27C29C330.1°0.0°
C28C27C29H29179.9°180.0°
C27C28C31C350.1°0.1°
C27C28C31H31179.9°180.0°
C28C27C20O34110.4°135.9°
C28C27C20H2012.6°15.8°
C29C27C28C310.1°0.0°
C29C27C28H28180.0°180.0°
C27C29C33H29180.0°180.0°
C27C29C33C350.0°0.1°
C27C29C33H33180.0°179.9°
C29C27C20O3470.6°44.4°
C29C27C20H20166.4°164.4°
C20C27C28C31179.0°179.8°
C20C27C28H281.0°0.3°
C20C27C29C33179.0°179.8°
C20C27C29H291.1°0.2°
C27C20O34H20122.3°120.0°
C27C20O34C3670.5°90.0°
C28C31C35H31180.0°180.0°
C28C31C35C330.2°0.1°
C28C31C35H35179.8°180.0°
H28C28C31C35179.9°180.0°
H28C28C31H310.1°0.0°
C29C33C35C310.1°0.1°
C29C33C35H33180.0°179.9°
C29C33C35H35179.9°180.0°
H29C29C33C35180.0°179.9°
H29C29C33H330.0°0.0°
C31C35C33H35180.0°179.8°
C31C35C33H33179.9°180.0°
H31C31C35C33179.8°179.9°
H31C31C35H350.2°0.1°
H33C33C35H350.1°0.2°
C20O34C36H361180.0°180.0°
C20O34C36H36260.0°60.0°
C20O34C36H36360.0°60.0°
H20C20O34C3651.8°30.0°
O34C36H361H362120.0°120.0°
O34C36H361H363120.0°120.0°
O34C36H362H363120.0°120.0°
H361C36H362H363120.0°120.0°

222624

PDB entries from 2024-07-17

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