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RBQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N2doub1.32Å1.38Å
C1N3sing1.36Å1.41Å
C1N5sing1.37Å1.48Å
N2C4sing1.34Å1.44Å
N3C6sing1.35Å1.45Å
N3C11sing1.46Å1.50Å
C4C7doub1.39Å1.42Å
C4N10sing1.38Å1.32Å
N5C8sing1.46Å1.48Å
N5C18sing1.47Å1.46Å
C6C7sing1.40Å1.44Å
C6O13doub1.22Å1.22Å
C8C9sing1.53Å1.51Å
C8C12sing1.52Å1.54Å
C9F14sing1.40Å1.33Å
C9F15sing1.40Å1.33Å
C9F16sing1.40Å1.32Å
N10C19sing1.47Å1.48Å
N10C20sing1.47Å1.48Å
C11C12sing1.51Å1.53Å
O17C23sing1.43Å1.42Å
O17C24sing1.43Å1.43Å
C18C21sing1.53Å1.50Å
C19C24sing1.53Å1.51Å
C20C23sing1.53Å1.51Å
C21O22sing1.43Å1.43Å
O22C25sing1.43Å1.44Å
C25C26sing1.53Å1.50Å
C25C27sing1.53Å1.48Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C7H7sing1.08Å1.08Å
C8H8sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
C26H263sing1.09Å1.10Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N2C1N3121.6°121.0°
N2C1N5117.6°118.1°
C1N2C4121.6°121.7°
N3C1N5120.7°120.8°
C1N3C6119.2°119.7°
C1N3C11122.1°122.0°
C1N5C8116.7°121.7°
C1N5C18114.5°119.2°
N2C4C7117.7°119.5°
N2C4N10115.5°120.3°
C6N3C11118.6°118.3°
N3C6C7118.3°119.3°
N3C6O13115.0°120.3°
N3C11C12112.7°113.0°
N3C11H111108.7°108.8°
N3C11H112108.7°108.7°
C7C4N10126.3°120.2°
C4C7C6121.5°118.5°
C4C7H7119.2°120.8°
C4N10C19120.8°121.0°
C4N10C20123.5°120.9°
C8N5C18114.3°119.2°
N5C8C9111.8°109.2°
N5C8C12111.8°111.0°
N5C8H8106.3°109.2°
N5C18C21117.5°109.5°
N5C18H181107.4°109.5°
N5C18H182107.4°109.5°
C7C6O13126.6°120.3°
C6C7H7119.2°120.7°
C9C8C12114.7°109.2°
C8C9F14111.9°109.5°
C8C9F15113.1°109.4°
C8C9F16111.3°109.5°
C9C8H8105.9°109.2°
C8C12C11111.0°112.1°
C12C8H8105.6°109.1°
C8C12H121109.1°108.9°
C8C12H122109.1°108.9°
F14C9F15106.8°109.5°
F14C9F16106.9°109.5°
F15C9F16106.5°109.5°
C19N10C20114.9°118.1°
N10C19C24110.0°108.4°
N10C19H191109.3°109.7°
N10C19H192109.3°109.7°
N10C20C23110.0°108.3°
N10C20H201109.3°109.7°
N10C20H202109.3°109.7°
C12C11H111108.7°108.8°
C12C11H112108.7°108.8°
C11C12H121109.1°109.0°
C11C12H122109.1°109.0°
C23O17C24110.0°114.0°
O17C23C20111.4°109.3°
O17C23H231109.0°109.5°
O17C23H232109.0°109.6°
O17C24C19111.8°109.3°
O17C24H241108.9°109.5°
O17C24H242108.9°109.5°
C18C21O22108.8°109.5°
C21C18H181107.4°109.4°
C21C18H182107.4°109.5°
C18C21H211109.6°109.5°
C18C21H212109.7°109.4°
C24C19H191109.3°109.7°
C24C19H192109.3°109.6°
C19C24H241108.9°109.7°
C19C24H242108.9°109.2°
C23C20H201109.4°109.7°
C23C20H202109.4°109.7°
C20C23H231109.0°109.3°
C20C23H232109.0°109.7°
C21O22C25117.9°114.0°
O22C21H211109.6°109.5°
O22C21H212109.6°109.5°
O22C25C26107.8°109.4°
O22C25C27106.5°109.5°
O22C25H25110.8°109.5°
C26C25C27111.5°109.5°
C26C25H25109.9°109.5°
C25C26H261109.5°109.5°
C25C26H262109.5°109.4°
C25C26H263109.5°109.5°
C27C25H25110.2°109.5°
C25C27H271109.5°109.5°
C25C27H272109.4°109.4°
C25C27H273109.4°109.5°
H111C11H112109.4°108.7°
H181C18H182109.5°109.5°
H121C12H122109.5°108.8°
H191C19H192109.4°109.7°
H201C20H202109.5°109.7°
H231C23H232109.5°109.5°
H241C24H242109.5°109.6°
H211C21H212109.4°109.5°
H261C26H262109.4°109.5°
H261C26H263109.5°109.5°
H262C26H263109.5°109.4°
H271C27H272109.5°109.5°
H271C27H273109.5°109.5°
H272C27H273109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C1N3N5179.2°177.8°
N2C1N3C62.9°5.5°
N2C1N3C11172.1°172.6°
C1N2C4C71.2°0.7°
C1N2C4N10174.1°179.3°
N2C1N5C8174.4°167.1°
N2C1N5C1848.3°12.9°
N3C1N2C40.2°2.9°
C1N3C6C11175.1°178.2°
N3C1N5C86.4°15.0°
N3C1N5C18130.9°164.9°
C1N3C6C74.0°4.5°
C1N3C6O13171.6°175.5°
C1N3C11C1213.2°24.8°
C1N3C11H111133.7°96.2°
C1N3C11H112107.3°145.7°
N5C1N2C4179.4°175.0°
N5C1N3C6177.9°172.3°
N5C1N3C117.1°9.6°
C1N5C8C18137.4°180.0°
C1N5C8C991.2°154.8°
C1N5C8C1238.9°34.4°
C1N5C18C2187.4°86.4°
C1N5C8H8153.7°85.9°
C1N5C18H18133.8°153.6°
C1N5C18H182151.4°33.6°
N2C4C7N10172.0°180.0°
N2C4C7C60.1°1.6°
N2C4N10C199.9°154.4°
N2C4N10C20159.7°25.3°
N2C4C7H7179.9°178.4°
N3C6C7C42.6°1.0°
N3C6C7O13175.0°179.9°
C6N3C11C12161.7°157.1°
C6N3C11H11141.3°81.9°
C6N3C11H11277.8°36.2°
N3C6C7H7177.4°179.0°
C11N3C6C7171.1°173.7°
C11N3C6O1313.3°6.4°
N3C11C12C844.9°43.5°
N3C11C12H111120.5°120.9°
N3C11C12H112120.5°120.9°
N3C11H111H112118.5°118.2°
N3C11C12H121165.1°77.1°
N3C11C12H12275.3°164.2°
C4C7C6H7180.0°180.0°
C4C7C6O13172.4°178.9°
C7C4N10C19177.9°25.5°
C7C4N10C2012.5°154.7°
N10C4C7C6172.0°178.4°
C4N10C19C20170.4°179.7°
C4N10C19C24142.2°129.4°
C4N10C20C23141.8°129.5°
N10C4C7H78.0°1.6°
C4N10C19H19122.1°110.9°
C4N10C19H19297.7°9.8°
C4N10C20H20198.2°9.7°
C4N10C20H20221.7°110.8°
N5C8C9C12128.5°121.5°
N5C8C9H8115.4°119.3°
N5C8C12H8115.2°120.3°
N5C8C9F14177.6°66.3°
N5C8C9F1556.9°173.7°
N5C8C9F1662.9°53.7°
N5C8C12C1158.5°47.7°
C8N5C18C21134.2°93.6°
C8N5C18H181104.6°26.4°
C8N5C18H18213.1°146.4°
N5C8C12H121178.7°72.9°
N5C8C12H12261.8°168.5°
C18N5C8C9131.4°25.1°
C18N5C8C1298.5°145.5°
N5C18C21H181121.2°120.0°
N5C18C21H182121.2°120.1°
N5C18C21O22157.1°65.0°
C18N5C8H816.3°94.2°
N5C18H181H182116.3°120.0°
N5C18C21H21183.0°175.0°
N5C18C21H21237.2°55.0°
O13C6C7H77.7°1.1°
C9C8C12H8116.2°119.3°
C8C9F14F15124.3°120.0°
C8C9F14F16122.1°120.0°
C8C9F15F16122.5°120.0°
C9C8C12C1170.1°168.1°
C9C8C12H12150.1°47.5°
C9C8C12H122169.7°71.1°
C12C8C9F1449.1°172.2°
C12C8C9F1571.6°52.2°
C12C8C9F16168.6°67.8°
C8C12C11H121120.2°120.7°
C8C12C11H122120.2°120.7°
C8C12C11H111165.4°77.4°
C8C12C11H11275.6°164.4°
C8C12H121H122119.3°118.7°
F14C9F15F16113.9°120.0°
F14C9C8H867.0°53.0°
F15C9C8H8172.3°67.0°
F16C9C8H852.5°173.0°
N10C19C24O1753.3°52.4°
N10C19C24H191120.1°119.7°
N10C19C24H192120.1°119.7°
C19N10C20C2348.1°50.3°
N10C19H191H192119.7°120.6°
C19N10C20H20171.9°170.0°
C19N10C20H202168.2°69.4°
N10C19C24H241173.6°67.7°
N10C19C24H24267.1°172.2°
N10C20C23O1754.7°52.3°
C20N10C19C2447.4°50.3°
N10C20C23H201120.1°119.7°
N10C20C23H202120.1°119.7°
C20N10C19H191167.5°69.4°
C20N10C19H19272.7°170.0°
N10C20H201H202119.8°120.5°
N10C20C23H23165.6°172.1°
N10C20C23H232175.0°67.8°
C12C11H111H112118.5°118.3°
C11C12C8H8173.7°72.6°
C11C12H121H122119.3°118.7°
C23O17C24C1961.7°62.9°
O17C23C20H231120.3°119.8°
O17C23C20H232120.3°120.1°
O17C23C20H20165.4°172.0°
O17C23C20H202174.7°67.4°
O17C23H231H232119.1°120.2°
C23O17C24H241178.0°57.4°
C23O17C24H24258.7°177.5°
O17C24C19H241120.4°120.1°
O17C24C19H242120.4°119.7°
C24O17C23C2062.3°62.9°
O17C24C19H191173.3°67.3°
O17C24C19H19266.8°172.1°
C24O17C23H23158.0°177.5°
C24O17C23H232177.4°57.4°
O17C24H241H242118.9°120.1°
C18C21O22H211119.9°120.0°
C18C21O22H212119.9°120.0°
C18C21O22C25153.8°180.0°
C21C18H181H182116.4°120.0°
C18C21H211H212120.3°120.0°
C24C19H191H192119.8°120.5°
C19C24H241H242118.9°120.0°
C23C20H201H202119.8°120.6°
C20C23H231H232119.1°120.2°
C21O22C25C2668.2°150.0°
C21O22C25C27171.9°90.0°
O22C21C18H18135.9°55.0°
O22C21C18H18281.8°175.0°
O22C21H211H212120.3°120.0°
C21O22C25H2552.0°30.0°
O22C25C26C27116.6°120.0°
O22C25C26H25120.8°120.0°
O22C25C27H25120.3°120.0°
C25O22C21H21186.3°60.0°
C25O22C21H21233.8°60.0°
O22C25C26H261180.0°60.0°
O22C25C26H26260.0°180.0°
O22C25C26H26360.0°60.0°
O22C25C27H271180.0°60.0°
O22C25C27H27260.0°180.0°
O22C25C27H27360.0°60.0°
C26C25C27H25122.3°120.0°
C25C26H261H262120.0°120.0°
C25C26H261H263120.0°120.0°
C25C26H262H263120.0°120.0°
C26C25C27H27162.6°180.0°
C26C25C27H272177.4°60.0°
C26C25C27H27357.4°59.9°
C27C25C26H26163.4°60.0°
C27C25C26H26256.6°60.1°
C27C25C26H263176.6°180.0°
C25C27H271H272120.0°120.0°
C25C27H271H273120.0°120.0°
C25C27H272H273119.9°120.0°
H111C11C12H12174.4°161.9°
H111C11C12H12245.2°43.3°
H112C11C12H12144.6°43.7°
H112C11C12H122164.2°74.9°
H8C8C12H12166.1°166.7°
H8C8C12H12253.5°48.1°
H181C18C21H211155.8°65.0°
H181C18C21H21284.0°175.0°
H182C18C21H21138.1°55.0°
H182C18C21H212158.3°65.0°
H191C19C24H24166.3°172.6°
H191C19C24H24253.0°52.5°
H192C19C24H24153.5°52.0°
H192C19C24H242172.8°68.1°
H201C20C23H231174.3°68.1°
H201C20C23H23254.9°51.9°
H202C20C23H23154.5°52.4°
H202C20C23H23265.0°172.5°
H25C25C26H26159.2°180.0°
H25C25C26H262179.1°60.0°
H25C25C26H26360.9°60.0°
H25C25C27H27159.7°60.0°
H25C25C27H27260.3°60.0°
H25C25C27H273179.7°180.0°
H261C26H262H263120.0°120.0°
H271C27H272H273120.0°120.0°

222624

PDB entries from 2024-07-17

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