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SummaryGeometryRelated PDB entries

QMV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
N26C27sing1.32Å1.37ÅAromatic
N26C25doub1.33Å1.34ÅAromatic
C27C4doub1.39Å1.37ÅAromatic
C25C24sing1.41Å1.41ÅAromatic
C25N5sing1.37Å1.38ÅAromatic
C24C23doub1.36Å1.36ÅAromatic
C4N5sing1.38Å1.37ÅAromatic
C4C3sing1.43Å1.43Å
F14C13sing1.35Å1.35Å
N5N6sing1.40Å1.39ÅAromatic
C12C13doub1.38Å1.38ÅAromatic
C12C11sing1.38Å1.39ÅAromatic
C23C7sing1.41Å1.44ÅAromatic
C3N2trip1.14Å1.14Å
C13C15sing1.39Å1.38ÅAromatic
C11C10doub1.40Å1.39ÅAromatic
N6C7doub1.32Å1.33ÅAromatic
C7C8sing1.47Å1.44Å
C15CL1sing1.74Å1.73Å
C15C16doub1.38Å1.38ÅAromatic
C10C16sing1.39Å1.39ÅAromatic
C10C9sing1.48Å1.48Å
C8C9doub1.38Å1.39ÅAromatic
C8N19sing1.38Å1.38ÅAromatic
C9N17sing1.35Å1.39ÅAromatic
N19C20sing1.46Å1.47Å
N19C18sing1.35Å1.36ÅAromatic
C21C20sing1.53Å1.51Å
C21O22sing1.43Å1.42Å
N17C18doub1.30Å1.31ÅAromatic
C18H35sing1.08Å1.08Å
C16H34sing1.08Å1.08Å
C20H31sing1.09Å1.10Å
C20H30sing1.09Å1.10Å
C21H28sing1.09Å1.10Å
C21H29sing1.09Å1.10Å
C23H37sing1.08Å1.08Å
C24H38sing1.08Å1.08Å
C11H32sing1.08Å1.08Å
C12H33sing1.08Å1.08Å
C27H39sing1.08Å1.08Å
O22H36sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C27N26C25105.0°109.7°
N26C27C4111.3°108.2°
N26C27H39124.4°125.9°
N26C25C24132.5°132.1°
N26C25N5110.7°108.6°
C27C4N5105.5°106.5°
C27C4C3131.6°126.7°
C4C27H39124.4°125.9°
C24C25N5116.8°119.3°
C25C24C23118.2°119.4°
C25C24H38120.9°120.3°
C25N5C4107.5°107.0°
C25N5N6126.7°120.3°
C24C23C7121.2°120.0°
C24C23H37119.5°120.0°
C23C24H38120.9°120.3°
N5C4C3122.9°126.8°
C4N5N6125.8°132.7°
C4C3N2177.3°180.0°
F14C13C12120.0°119.9°
F14C13C15118.7°119.9°
N5N6C7114.9°120.5°
C13C12C11118.9°120.2°
C12C13C15121.3°120.2°
C13C12H33120.6°119.9°
C12C11C10120.6°119.9°
C12C11H32119.7°120.1°
C11C12H33120.5°119.9°
C23C7N6122.2°120.5°
C23C7C8120.6°119.8°
C7C23H37119.4°120.0°
C13C15CL1119.9°119.9°
C13C15C16120.0°120.1°
C11C10C16119.2°119.8°
C11C10C9120.5°120.1°
C10C11H32119.7°120.0°
N6C7C8117.2°119.8°
C7C8C9130.2°126.9°
C7C8N19124.0°126.9°
CL1C15C16120.1°120.0°
C15C16C10119.8°119.8°
C15C16H34120.1°120.1°
C16C10C9120.3°120.1°
C10C16H34120.1°120.1°
C10C9C8130.9°126.3°
C10C9N17119.8°126.3°
C9C8N19105.8°106.2°
C8C9N17109.2°107.4°
C8N19C20130.1°126.4°
C8N19C18106.4°107.3°
C9N17C18105.4°109.5°
C20N19C18123.4°126.3°
N19C20C21112.1°109.4°
N19C20H31108.8°109.5°
N19C20H30108.8°109.5°
N19C18N17113.1°109.6°
N19C18H35123.4°125.2°
C20C21O22112.4°109.5°
C21C20H31108.8°109.5°
C21C20H30108.8°109.4°
C20C21H28108.7°109.5°
C20C21H29108.7°109.5°
O22C21H28108.7°109.4°
O22C21H29108.7°109.5°
C21O22H36109.5°114.0°
N17C18H35123.4°125.2°
H31C20H30109.5°109.5°
H28C21H29109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
N26C27C4H39180.0°179.9°
C27N26C25C24179.8°179.9°
C27N26C25N50.5°0.0°
N26C27C4N52.2°0.0°
N26C27C4C3176.1°180.0°
C25N26C27C41.7°0.0°
N26C25C24N5179.7°179.9°
N26C25C24C23178.8°179.9°
N26C25N5C40.9°0.0°
N26C25N5N6178.7°179.8°
N26C25C24H381.2°0.0°
C25N26C27H39178.3°179.9°
C27C4N5C251.8°0.0°
C27C4N5C3178.5°180.0°
C27C4N5N6177.7°179.7°
C27C4C3N2174.9°164.7°
C25C24C23H38180.0°180.0°
C24C25N5C4178.9°180.0°
C24C25N5N61.6°0.2°
C25C24C23C72.0°0.0°
C25C24C23H37178.1°179.7°
N5C25C24C230.9°0.0°
C25N5C4N6179.6°179.7°
C25N5C4C3176.7°180.0°
C25N5N6C72.8°0.4°
N5C25C24H38179.1°180.0°
C24C23C7H37180.0°179.7°
C24C23C7N60.7°0.2°
C24C23C7C8178.3°179.7°
N5C4C3N23.2°15.3°
C4N5N6C7177.8°179.9°
N5C4C27H39177.8°179.9°
C3C4N5N63.7°0.3°
C3C4C27H393.8°0.0°
F14C13C12C15179.7°179.7°
F14C13C12C11178.6°179.7°
F14C13C15CL12.1°0.3°
F14C13C15C16178.8°179.8°
F14C13C12H331.4°0.2°
N5N6C7C231.5°0.4°
N5N6C7C8176.1°179.5°
C13C12C11H33180.0°180.0°
C13C12C11C102.6°0.0°
C12C13C15CL1177.6°179.9°
C12C13C15C161.5°0.0°
C13C12C11H32177.4°180.0°
C11C12C13C151.0°0.0°
C12C11C10H32180.0°180.0°
C12C11C10C161.6°0.0°
C12C11C10C9179.8°180.0°
C23C7N6C8177.6°179.9°
C23C7C8C935.0°90.0°
C23C7C8N19146.4°90.0°
C7C23C24H38178.0°180.0°
C13C15CL1C16179.1°179.9°
C13C15C16C102.5°0.0°
C13C15C16H34177.5°180.0°
C15C13C12H33178.9°179.9°
C11C10C16C151.0°0.0°
C11C10C16C9178.7°180.0°
C11C10C9C849.3°145.0°
C11C10C9N17128.9°35.0°
C11C10C16H34179.0°180.0°
C10C11C12H33177.4°180.0°
N6C7C8C9147.3°90.0°
N6C7C8N1931.3°90.0°
N6C7C23H37179.3°179.9°
C7C8C9C100.6°0.0°
C7C8C9N19178.8°180.0°
C7C8C9N17178.9°180.0°
C7C8N19C203.7°0.0°
C7C8N19C18178.4°179.8°
C8C7C23H371.7°0.0°
CL1C15C16C10176.5°179.9°
CL1C15C16H343.4°0.1°
C15C16C10H34180.0°180.0°
C15C16C10C9177.7°180.0°
C16C10C9C8129.3°35.0°
C16C10C9N1752.5°145.1°
C16C10C11H32178.4°180.0°
C10C9C8N17178.3°180.0°
C10C9C8N19178.2°180.0°
C10C9N17C18177.8°179.8°
C9C10C16H342.3°0.0°
C9C10C11H320.2°0.0°
C9C8N19C20177.5°180.0°
C9C8N19C180.5°0.2°
C8C9N17C180.7°0.1°
N19C8C9N170.1°0.0°
C8N19C20C18177.7°179.7°
C8N19C20C2163.2°85.0°
C8N19C18N171.0°0.3°
C8N19C18H35179.0°180.0°
C8N19C20H31176.4°35.0°
C8N19C20H3057.2°155.0°
C9N17C18N191.1°0.3°
C9N17C18H35178.9°180.0°
N19C20C21H31120.4°120.0°
N19C20C21H30120.4°120.0°
N19C20C21O2274.5°180.0°
C20N19C18N17177.1°179.9°
C20N19C18H352.9°0.3°
N19C20H31H30118.8°120.0°
N19C20C21H28165.1°60.0°
N19C20C21H2945.9°60.0°
C18N19C20C21114.4°95.3°
N19C18N17H35180.0°179.7°
C18N19C20H316.0°144.7°
C18N19C20H30125.2°24.7°
C20C21O22H28120.4°120.1°
C20C21O22H29120.4°120.0°
C21C20H31H30118.8°120.0°
C20C21H28H29118.7°120.0°
C20C21O22H36180.0°180.0°
O22C21C20H3145.9°60.0°
O22C21C20H30165.1°60.0°
O22C21H28H29118.7°119.9°
H31C20C21H2874.6°60.0°
H31C20C21H29166.3°180.0°
H30C20C21H2844.7°180.0°
H30C20C21H2974.5°60.0°
H28C21O22H3659.6°60.0°
H29C21O22H3659.6°60.0°
H37C23C24H382.0°0.3°
H32C11C12H332.6°0.0°

224931

PDB entries from 2024-09-11

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