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18I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.38ÅAromatic
C1C5sing1.39Å1.38ÅAromatic
F1C17sing1.35Å1.34Å
N1C2sing1.32Å1.32ÅAromatic
N1C3doub1.32Å1.33ÅAromatic
O1C8doub1.22Å1.22Å
F2C20sing1.35Å1.35Å
N2C5sing1.40Å1.40Å
N2C6sing1.35Å1.37Å
O2C6doub1.21Å1.21Å
C3C4sing1.38Å1.41ÅAromatic
N3C7sing1.46Å1.46Å
N3C8sing1.35Å1.35Å
C4C5doub1.39Å1.38ÅAromatic
N4C23sing1.37Å1.37ÅAromatic
N4C24sing1.38Å1.36ÅAromatic
C6C7sing1.51Å1.51Å
C7C21sing1.53Å1.53Å
C8C9sing1.48Å1.52Å
C9C10doub1.40Å1.40ÅAromatic
C9C20sing1.40Å1.49ÅAromatic
C10C11sing1.38Å1.40ÅAromatic
C11C12doub1.40Å1.41ÅAromatic
C12C13sing1.48Å1.51Å
C12C19sing1.39Å1.40ÅAromatic
C13C14doub1.39Å1.40ÅAromatic
C13C18sing1.39Å1.41ÅAromatic
C14C15sing1.38Å1.40ÅAromatic
C15C16doub1.38Å1.39ÅAromatic
C16C17sing1.39Å1.39ÅAromatic
C17C18doub1.38Å1.41ÅAromatic
C19C20doub1.38Å1.39ÅAromatic
C21C22sing1.51Å1.50Å
C22C23doub1.34Å1.40ÅAromatic
C22C29sing1.47Å1.47ÅAromatic
C24C25doub1.39Å1.38ÅAromatic
C24C29sing1.41Å1.47ÅAromatic
C25C26sing1.38Å1.39ÅAromatic
C26C27doub1.39Å1.39ÅAromatic
C27C28sing1.37Å1.38ÅAromatic
C28C29doub1.40Å1.38ÅAromatic
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
N2HN2sing0.97Å1.00Å
C3H3sing1.08Å1.08Å
N3HN3sing0.97Å1.00Å
C4H4sing1.08Å1.08Å
N4HN4sing0.97Å1.00Å
C7H7sing1.09Å1.10Å
C10H10sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C23H23sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C5122.9°119.0°
C1C2N1124.4°120.9°
C2C1H1118.6°120.5°
C1C2H2117.8°119.5°
C1C5N2119.8°120.9°
C1C5C4112.7°118.3°
C5C1H1118.6°120.5°
F1C17C16119.0°119.9°
F1C17C18120.1°119.9°
C2N1C3114.4°121.9°
N1C2H2117.8°119.6°
N1C3C4124.3°120.8°
N1C3H3117.9°119.5°
O1C8N3120.5°120.0°
O1C8C9118.3°120.0°
F2C20C9119.3°120.0°
F2C20C19120.3°120.1°
C5N2C6129.4°120.0°
N2C5C4127.5°120.9°
C5N2HN2115.3°120.0°
N2C6O2125.0°120.1°
N2C6C7119.3°120.0°
C6N2HN2115.3°120.1°
O2C6C7115.7°120.0°
C3C4C5121.4°119.1°
C4C3H3117.9°119.6°
C3C4H4119.3°120.4°
C7N3C8121.7°120.0°
N3C7C6114.9°109.5°
N3C7C21106.3°109.5°
C7N3HN3119.2°120.1°
N3C7H7109.0°109.5°
N3C8C9121.2°120.1°
C8N3HN3119.2°119.9°
C5C4H4119.3°120.5°
C23N4C24110.6°109.9°
N4C23C22110.2°109.9°
C23N4HN4124.7°125.0°
N4C23H23124.9°125.1°
N4C24C25134.9°133.5°
N4C24C29108.3°107.2°
C24N4HN4124.7°125.1°
C6C7C21109.9°109.5°
C6C7H7108.4°109.5°
C7C21C22108.2°109.5°
C21C7H7108.1°109.4°
C7C21H21109.8°109.5°
C7C21H21A109.8°109.5°
C8C9C10122.5°120.0°
C8C9C20120.6°120.1°
C10C9C20116.9°119.9°
C9C10C11121.0°119.9°
C9C10H10119.5°120.0°
C9C20C19120.4°119.9°
C10C11C12121.9°120.2°
C11C10H10119.5°120.1°
C10C11H11119.0°119.9°
C11C12C13122.4°120.0°
C11C12C19118.9°120.1°
C12C11H11119.0°119.9°
C13C12C19118.6°119.9°
C12C13C14120.8°120.1°
C12C13C18121.2°120.1°
C12C19C20120.9°120.0°
C12C19H19119.6°120.0°
C14C13C18117.8°119.8°
C13C14C15121.4°119.9°
C13C14H14119.3°120.0°
C13C18C17120.5°119.8°
C13C18H18119.7°120.0°
C14C15C16120.5°120.2°
C15C14H14119.3°120.1°
C14C15H15119.7°119.9°
C15C16C17118.9°120.2°
C16C15H15119.7°119.9°
C15C16H16120.6°119.9°
C16C17C18120.8°120.1°
C17C16H16120.6°119.9°
C17C18H18119.7°120.1°
C20C19H19119.5°120.0°
C21C22C23128.2°126.5°
C21C22C29125.5°126.5°
C22C21H21109.8°109.5°
C22C21H21A109.8°109.5°
C23C22C29106.3°107.0°
C22C23H23124.9°125.0°
C22C29C24104.6°106.0°
C22C29C28132.4°134.0°
C25C24C29116.8°119.3°
C24C25C26119.4°119.7°
C24C25H25120.3°120.2°
C24C29C28123.0°119.9°
C25C26C27122.4°120.7°
C26C25H25120.3°120.1°
C25C26H26118.8°119.7°
C26C27C28121.0°120.5°
C27C26H26118.8°119.7°
C26C27H27119.5°119.7°
C27C28C29117.4°119.8°
C28C27H27119.5°119.8°
C27C28H28121.3°120.1°
C29C28H28121.3°120.1°
H21C21H21A109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C5H1180.0°179.7°
C1C2N1H2180.0°179.9°
C1C2N1C30.9°0.1°
C2C1C5N2178.4°180.0°
C2C1C5C40.2°0.0°
C5C1C2N10.5°0.1°
C1C5N2C4177.9°180.0°
C1C5N2C6165.0°147.5°
C1C5C4C30.3°0.0°
C5C1C2H2179.5°179.9°
C1C5N2HN215.0°32.5°
C1C5C4H4179.7°179.9°
F1C17C18C13179.0°179.7°
F1C17C16C15180.0°179.9°
F1C17C16C18179.8°179.8°
F1C17C16H160.0°0.1°
F1C17C18H181.0°0.1°
C2N1C3C40.8°0.0°
N1C2C1H1179.5°179.8°
C2N1C3H3179.3°179.9°
N1C3C4H3180.0°179.9°
N1C3C4C50.1°0.1°
C3N1C2H2179.0°179.9°
N1C3C4H4179.8°180.0°
O1C8N3C74.9°0.1°
O1C8N3C9177.1°179.9°
O1C8C9C1013.5°180.0°
O1C8C9C20167.0°0.3°
O1C8N3HN3175.1°180.0°
F2C20C9C80.7°0.0°
F2C20C9C10179.7°179.7°
F2C20C9C19179.8°179.6°
F2C20C19C12179.0°179.7°
F2C20C19H191.0°0.0°
C5N2C6HN2180.0°180.0°
C5N2C6O27.5°5.2°
N2C5C4C3178.4°179.9°
C5N2C6C7170.0°174.8°
N2C5C1H11.6°0.3°
N2C5C4H41.6°0.0°
N2C6O2C7177.6°180.0°
N2C6C7N3168.6°180.0°
C6N2C5C412.9°32.6°
N2C6C7C2171.6°60.0°
N2C6C7H746.3°60.0°
O2C6C7N313.7°0.0°
O2C6C7C21106.1°120.0°
O2C6N2HN2172.5°174.7°
O2C6C7H7136.0°120.0°
C3C4C5H4180.0°179.9°
C7N3C8HN3180.0°179.9°
N3C7C6C21119.8°120.0°
N3C7C6H7122.2°120.0°
N3C7C21H7116.9°120.0°
C7N3C8C9172.2°180.0°
N3C7C21C22174.8°65.0°
N3C7C21H2155.0°55.0°
N3C7C21H21A65.4°175.0°
C8N3C7C6143.7°85.0°
C8N3C7C2194.5°155.0°
N3C8C9C10163.7°0.0°
N3C8C9C2015.8°179.7°
C8N3C7H721.9°35.1°
C4C5C1H1179.8°179.7°
C4C5N2HN2167.1°147.5°
C5C4C3H3179.9°180.0°
C23N4C24HN4180.0°179.8°
N4C23C22C21177.9°180.0°
N4C23C22H23180.0°179.9°
N4C23C22C290.3°0.1°
C23N4C24C25179.8°180.0°
C23N4C24C290.8°0.0°
C24N4C23C220.7°0.1°
N4C24C29C220.6°0.0°
N4C24C25C29178.9°180.0°
N4C24C25C26179.3°180.0°
N4C24C29C28179.7°180.0°
C24N4C23H23179.3°180.0°
N4C24C25H250.7°0.0°
C6C7C21H7118.1°120.0°
C6C7C21C2260.3°175.0°
C7C6N2HN210.0°5.3°
C6C7N3HN336.3°95.0°
C6C7C21H21179.9°65.0°
C6C7C21H21A59.5°54.9°
C7C21C22H21119.8°120.0°
C7C21C22H21A119.8°120.0°
C7C21C22C2371.6°94.9°
C7C21C22C29105.5°84.9°
C21C7N3HN385.5°25.1°
C7C21H21H21A120.6°120.0°
C8C9C10C20179.5°179.7°
C8C9C10C11179.3°180.0°
C8C9C20C19179.5°179.7°
C9C8N3HN37.8°0.0°
C8C9C10H100.7°0.0°
C9C10C11H10180.0°180.0°
C9C10C11C121.2°0.0°
C10C9C20C190.1°0.7°
C9C10C11H11178.8°180.0°
C20C9C10C110.2°0.3°
C9C20C19C120.8°0.6°
C20C9C10H10179.8°179.7°
C9C20C19H19179.2°179.7°
C10C11C12H11180.0°179.9°
C10C11C12C13178.2°180.0°
C10C11C12C192.0°0.0°
C11C12C13C19176.3°180.0°
C11C12C13C14154.3°180.0°
C11C12C13C1830.0°0.3°
C11C12C19C201.8°0.3°
C12C11C10H10178.8°180.0°
C11C12C19H19178.3°180.0°
C12C13C14C18175.8°179.7°
C12C13C14C15177.5°180.0°
C12C13C18C17177.7°179.8°
C13C12C19C20178.2°179.7°
C13C12C11H111.8°0.1°
C12C13C14H142.5°0.0°
C12C13C18H182.4°0.0°
C13C12C19H191.9°0.0°
C19C12C13C1429.4°0.0°
C19C12C13C18146.2°179.7°
C12C19C20H19180.0°179.7°
C19C12C11H11178.1°180.0°
C13C14C15H14180.0°180.0°
C13C14C15C160.8°0.0°
C14C13C18C171.9°0.5°
C13C14C15H15179.2°180.0°
C14C13C18H18178.1°179.7°
C18C13C14C151.7°0.3°
C13C18C17C161.2°0.5°
C13C18C17H18180.0°179.8°
C18C13C14H14178.3°179.7°
C14C15C16H15180.0°180.0°
C14C15C16C170.0°0.0°
C14C15C16H16180.0°180.0°
C15C16C17H16180.0°180.0°
C15C16C17C180.2°0.2°
C16C15C14H14179.2°180.0°
C17C16C15H15180.0°180.0°
C16C17C18H18178.8°179.7°
C18C17C16H16179.8°179.7°
C21C22C23C29177.6°179.9°
C21C22C29C24177.5°179.9°
C21C22C29C281.5°0.2°
C22C21C7H757.8°55.0°
C22C21H21H21A120.6°120.0°
C21C22C23H232.1°0.1°
C23C22C29C240.2°0.1°
C23C22C29C28179.1°180.0°
C22C23N4HN4179.3°179.7°
C23C22C21H2148.2°145.1°
C23C22C21H21A168.6°25.1°
C22C29C24C25179.8°180.0°
C22C29C24C28179.1°179.9°
C22C29C28C27179.8°179.9°
C29C22C21H21134.7°35.1°
C29C22C21H21A14.3°155.1°
C29C22C23H23179.7°180.0°
C22C29C28H280.2°0.1°
C24C25C26H25180.0°179.9°
C24C25C26C270.4°0.0°
C25C24C29C281.2°0.0°
C25C24N4HN40.2°0.2°
C24C25C26H26179.6°180.0°
C29C24C25C260.4°0.0°
C24C29C28C271.0°0.0°
C29C24N4HN4179.2°179.8°
C29C24C25H25179.6°179.9°
C24C29C28H28179.0°180.0°
C25C26C27H26180.0°179.9°
C25C26C27C280.6°0.0°
C25C26C27H27179.4°179.9°
C26C27C28H27180.0°180.0°
C26C27C28C290.1°0.0°
C27C26C25H25179.6°180.0°
C26C27C28H28179.9°180.0°
C27C28C29H28180.0°180.0°
C28C27C26H26179.4°180.0°
C29C28C27H27179.9°180.0°
H1C1C2H20.5°0.3°
H3C3C4H40.1°0.1°
HN3N3C7H7158.1°145.0°
HN4N4C23H230.7°0.2°
H7C7C21H2161.9°175.0°
H7C7C21H21A177.6°65.1°
H10C10C11H111.2°0.0°
H14C14C15H150.8°0.0°
H15C15C16H160.0°0.0°
H25C25C26H260.4°0.1°
H26C26C27H270.6°0.0°
H27C27C28H280.1°0.0°

220472

PDB entries from 2024-05-29

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