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5PS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.38Å1.38ÅAromatic
C1C5doub1.39Å1.38ÅAromatic
F1C17sing1.35Å1.34Å
N1C2doub1.32Å1.34ÅAromatic
N1C3sing1.32Å1.34ÅAromatic
O1C8doub1.22Å1.21Å
F2C20sing1.35Å1.33Å
N2C5sing1.40Å1.34Å
N2C6sing1.35Å1.34Å
O2C6doub1.21Å1.21Å
C3C4doub1.38Å1.39ÅAromatic
N3C8sing1.35Å1.32Å
N3C7sing1.46Å1.47Å
C4C5sing1.39Å1.40ÅAromatic
N4C23sing1.37Å1.34ÅAromatic
N4C24sing1.38Å1.33ÅAromatic
C6C7sing1.51Å1.50Å
C8C9sing1.47Å1.48Å
C9C10doub1.40Å1.38ÅAromatic
C9C20sing1.40Å1.47ÅAromatic
C10C11sing1.38Å1.38ÅAromatic
C11C12doub1.40Å1.40ÅAromatic
C12C13sing1.48Å1.48Å
C12C19sing1.39Å1.38ÅAromatic
C13C14sing1.39Å1.39ÅAromatic
C13C18doub1.39Å1.39ÅAromatic
C14C15doub1.38Å1.39ÅAromatic
C15C16sing1.38Å1.38ÅAromatic
C16C17doub1.38Å1.38ÅAromatic
C17C18sing1.38Å1.39ÅAromatic
C19C20doub1.38Å1.37ÅAromatic
C21C22sing1.51Å1.50Å
C21C7sing1.53Å1.52Å
C22C23doub1.34Å1.39ÅAromatic
C22C29sing1.46Å1.45ÅAromatic
C24C25doub1.39Å1.38ÅAromatic
C24C29sing1.41Å1.46ÅAromatic
C25C26sing1.38Å1.39ÅAromatic
C26C27doub1.39Å1.39ÅAromatic
C27C28sing1.37Å1.39ÅAromatic
C28C29doub1.40Å1.37ÅAromatic
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
N2HAsing0.97Å1.00Å
C4H4sing1.08Å1.08Å
N3HBsing0.97Å1.00Å
C7H7sing1.09Å1.10Å
N4HCsing0.97Å1.00Å
C23H23sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C25H25sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C5120.3°119.1°
C1C2N1121.3°120.9°
C2C1H1119.8°120.5°
C1C2H2119.3°119.5°
C1C5N2117.2°120.9°
C1C5C4117.6°118.3°
C5C1H1119.9°120.4°
F1C17C16118.2°120.0°
F1C17C18121.0°119.9°
C2N1C3120.0°121.9°
N1C2H2119.3°119.6°
N1C3C4121.0°120.9°
N1C3H3119.5°119.6°
O1C8N3122.3°120.0°
O1C8C9115.3°120.0°
F2C20C9120.6°120.1°
F2C20C19119.6°120.0°
C5N2C6120.7°120.0°
N2C5C4124.7°120.8°
C5N2HA119.7°119.9°
N2C6O2125.6°120.0°
N2C6C7118.0°120.0°
C6N2HA119.7°120.1°
O2C6C7116.4°120.0°
C3C4C5119.7°119.0°
C4C3H3119.5°119.5°
C3C4H4120.1°120.5°
C8N3C7119.3°120.0°
N3C8C9122.4°120.0°
C8N3HB120.4°120.0°
N3C7C6112.5°109.5°
N3C7C21111.1°109.5°
C7N3HB120.3°120.0°
N3C7H7107.9°109.5°
C5C4H4120.2°120.5°
C23N4C24112.1°109.9°
N4C23C22109.9°110.0°
C23N4HC123.9°125.0°
N4C23H23125.1°125.0°
N4C24C25135.2°133.5°
N4C24C29107.0°107.1°
C24N4HC123.9°125.1°
C6C7C21110.3°109.4°
C6C7H7107.5°109.5°
C8C9C10119.3°120.1°
C8C9C20120.9°120.0°
C10C9C20119.7°119.9°
C9C10C11118.9°120.0°
C9C10H10120.5°120.0°
C9C20C19119.8°119.9°
C10C11C12121.2°120.1°
C11C10H10120.6°119.9°
C10C11H11119.4°120.0°
C11C12C13120.9°120.0°
C11C12C19121.3°120.1°
C12C11H11119.4°119.9°
C13C12C19117.8°119.9°
C12C13C14119.1°120.1°
C12C13C18121.0°120.1°
C12C19C20119.1°120.0°
C12C19H19120.4°120.0°
C14C13C18119.9°119.8°
C13C14C15120.1°119.9°
C13C14H14120.0°120.0°
C13C18C17119.4°119.8°
C13C18H18120.3°120.0°
C14C15C16120.3°120.1°
C15C14H14119.9°120.1°
C14C15H15119.8°119.9°
C15C16C17119.4°120.3°
C16C15H15119.8°120.0°
C15C16H16120.3°119.9°
C16C17C18120.9°120.1°
C17C16H16120.3°119.9°
C17C18H18120.3°120.1°
C20C19H19120.5°120.0°
C22C21C7105.7°109.4°
C21C22C23128.9°126.5°
C21C22C29125.3°126.5°
C22C21H211110.4°109.5°
C22C21H212110.4°109.5°
C21C7H7107.3°109.5°
C7C21H211110.4°109.5°
C7C21H212110.4°109.5°
C23C22C29105.8°107.0°
C22C23H23125.1°125.0°
C22C29C24105.2°106.1°
C22C29C28132.1°134.0°
C25C24C29117.8°119.3°
C24C25C26119.0°119.8°
C24C25H25120.5°120.2°
C24C29C28122.8°119.9°
C25C26C27121.9°120.6°
C26C25H25120.5°120.0°
C25C26H26119.1°119.7°
C26C27C28121.3°120.5°
C27C26H26119.1°119.6°
C26C27H27119.4°119.8°
C27C28C29117.3°119.8°
C28C27H27119.4°119.7°
C27C28H28121.3°120.1°
C29C28H28121.4°120.1°
H211C21H212109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C5H1180.0°179.8°
C1C2N1H2180.0°180.0°
C1C2N1C30.2°0.0°
C2C1C5N2174.2°179.9°
C2C1C5C42.2°0.0°
C5C1C2N11.4°0.0°
C1C5N2C4171.3°180.0°
C1C5N2C6141.7°147.5°
C1C5C4C32.0°0.0°
C5C1C2H2178.7°180.0°
C1C5N2HA38.3°32.5°
C1C5C4H4178.0°180.0°
F1C17C18C13179.8°179.7°
F1C17C16C15179.7°180.0°
F1C17C16C18179.9°179.7°
F1C17C18H180.2°0.1°
F1C17C16H160.3°0.0°
C2N1C3C40.0°0.0°
N1C2C1H1178.7°179.7°
C2N1C3H3179.9°180.0°
N1C3C4H3180.0°179.9°
N1C3C4C51.0°0.0°
C3N1C2H2179.8°180.0°
N1C3C4H4179.1°179.9°
O1C8N3C9179.6°179.9°
O1C8N3C70.1°0.0°
O1C8C9C1051.2°180.0°
O1C8C9C20126.1°0.3°
O1C8N3HB179.8°180.0°
F2C20C9C82.2°0.0°
F2C20C9C10179.5°179.8°
F2C20C9C19179.1°179.7°
F2C20C19C12179.7°179.8°
F2C20C19H190.3°0.0°
C5N2C6HA180.0°180.0°
C5N2C6O26.7°5.3°
N2C5C4C3173.3°180.0°
C5N2C6C7171.0°174.8°
N2C5C1H15.9°0.3°
N2C5C4H46.7°0.0°
N2C6O2C7177.8°180.0°
N2C6C7N322.0°180.0°
C6N2C5C429.6°32.5°
N2C6C7C21102.7°60.0°
N2C6C7H7140.7°60.0°
O2C6C7N3160.0°0.0°
O2C6C7C2175.2°120.0°
O2C6N2HA173.3°174.7°
O2C6C7H741.4°120.0°
C3C4C5H4180.0°179.9°
C8N3C7HB180.0°180.0°
C8N3C7C6116.2°85.0°
N3C8C9C10129.1°0.0°
N3C8C9C2053.5°179.8°
C8N3C7C21119.5°155.0°
C8N3C7H72.2°35.0°
N3C7C6C21124.8°120.0°
N3C7C6H7118.6°120.0°
C7N3C8C9179.5°180.0°
N3C7C21C2261.8°65.0°
N3C7C21H7117.7°120.0°
N3C7C21H211178.8°55.0°
N3C7C21H21257.6°175.0°
C4C5C1H1177.8°179.7°
C5C4C3H3179.0°180.0°
C4C5N2HA150.3°147.5°
C23N4C24HC180.0°179.8°
N4C23C22C21178.3°180.0°
N4C23C22H23180.0°180.0°
N4C23C22C290.6°0.0°
C23N4C24C25179.3°180.0°
C23N4C24C290.0°0.0°
C24N4C23C220.4°0.0°
N4C24C29C220.4°0.0°
N4C24C25C29179.2°180.0°
N4C24C25C26179.4°180.0°
N4C24C29C28179.1°180.0°
C24N4C23H23179.6°180.0°
N4C24C25H250.6°0.0°
C6C7C21C2263.8°175.0°
C6C7C21H7116.8°120.0°
C7C6N2HA9.0°5.3°
C6C7N3HB63.8°95.0°
C6C7C21H21155.6°65.0°
C6C7C21H212176.8°55.0°
C8C9C10C20177.4°179.7°
C8C9C10C11178.6°180.0°
C8C9C20C19178.7°179.8°
C9C8N3HB0.5°0.0°
C8C9C10H101.5°0.0°
C9C10C11H10180.0°180.0°
C9C10C11C120.9°0.0°
C10C9C20C191.4°0.5°
C9C10C11H11179.1°180.0°
C20C9C10C111.2°0.3°
C9C20C19C121.2°0.4°
C20C9C10H10178.8°179.7°
C9C20C19H19178.8°179.7°
C10C11C12H11180.0°180.0°
C10C11C12C13179.2°180.0°
C10C11C12C190.7°0.0°
C11C12C13C19178.6°180.0°
C11C12C13C1433.2°180.0°
C11C12C13C18148.0°0.3°
C11C12C19C200.8°0.2°
C12C11C10H10179.2°180.0°
C11C12C19H19179.2°180.0°
C12C13C14C18178.8°179.7°
C12C13C14C15179.7°180.0°
C12C13C18C17179.2°179.7°
C13C12C19C20179.4°179.8°
C13C12C11H110.8°0.0°
C13C12C19H190.6°0.0°
C12C13C14H140.4°0.1°
C12C13C18H180.8°0.0°
C19C12C13C14145.4°0.1°
C19C12C13C1833.4°179.7°
C12C19C20H19180.0°179.8°
C19C12C11H11179.3°180.0°
C13C14C15H14180.0°179.9°
C13C14C15C160.8°0.0°
C14C13C18C170.5°0.6°
C14C13C18H18179.5°179.7°
C13C14C15H15179.2°180.0°
C18C13C14C150.9°0.3°
C13C18C17C160.1°0.6°
C13C18C17H18180.0°179.7°
C18C13C14H14179.1°179.8°
C14C15C16H15180.0°180.0°
C14C15C16C170.3°0.0°
C14C15C16H16179.7°180.0°
C15C16C17H16180.0°180.0°
C15C16C17C180.2°0.3°
C16C15C14H14179.2°179.9°
C16C17C18H18179.9°179.7°
C17C16C15H15179.7°180.0°
C18C17C16H16179.8°179.7°
C22C21C7H211119.4°120.0°
C22C21C7H212119.4°120.0°
C21C22C23C29177.8°180.0°
C21C22C29C24178.4°180.0°
C21C22C29C281.0°0.1°
C22C21C7H7179.5°55.0°
C21C22C23H231.7°0.0°
C22C21H211H212121.8°120.0°
C7C21C22C2390.5°95.0°
C7C21C22C2986.9°85.0°
C21C7N3HB60.5°25.0°
C7C21H211H212121.7°120.0°
C23C22C29C240.6°0.0°
C23C22C29C28178.9°180.0°
C22C23N4HC179.7°179.8°
C23C22C21H211150.2°25.0°
C23C22C21H21228.9°145.0°
C22C29C24C25179.8°180.0°
C22C29C24C28179.5°180.0°
C22C29C28C27179.8°180.0°
C29C22C23H23179.4°180.0°
C29C22C21H21132.5°155.0°
C29C22C21H212153.7°35.0°
C22C29C28H280.2°0.0°
C24C25C26H25180.0°180.0°
C24C25C26C270.5°0.0°
C25C24C29C280.3°0.0°
C25C24N4HC0.7°0.2°
C24C25C26H26179.5°180.0°
C29C24C25C260.1°0.0°
C24C29C28C270.4°0.0°
C29C24N4HC180.0°179.8°
C29C24C25H25179.9°180.0°
C24C29C28H28179.6°180.0°
C25C26C27H26180.0°180.0°
C25C26C27C280.4°0.0°
C25C26C27H27179.6°179.9°
C26C27C28H27180.0°179.9°
C26C27C28C290.1°0.0°
C27C26C25H25179.5°180.0°
C26C27C28H28179.9°180.0°
C27C28C29H28180.0°180.0°
C28C27C26H26179.6°180.0°
C29C28C27H27179.9°179.9°
H1C1C2H21.3°0.2°
H3C3C4H41.0°0.0°
HBN3C7H7177.8°145.0°
H7C7C21H21161.2°175.0°
H7C7C21H21260.0°65.0°
HCN4C23H230.4°0.2°
H10C10C11H110.9°0.0°
H14C14C15H150.8°0.1°
H15C15C16H160.3°0.0°
H25C25C26H260.4°0.0°
H26C26C27H270.4°0.1°
H27C27C28H280.1°0.0°

222415

PDB entries from 2024-07-10

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