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IUD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C05C04sing1.53Å1.54Å
C05C06sing1.53Å1.46Å
C28C29doub1.38Å1.39ÅAromatic
C28C27sing1.38Å1.39ÅAromatic
C29C30sing1.40Å1.38ÅAromatic
N07C06sing1.47Å1.46Å
C04N03sing1.47Å1.53Å
C06C01sing1.53Å1.46Å
C27C26doub1.39Å1.38ÅAromatic
F24C22sing1.35Å1.37Å
C30C33sing1.43Å1.52Å
C30C31doub1.40Å1.39ÅAromatic
C33N34trip1.14Å1.14Å
C26C31sing1.40Å1.39ÅAromatic
C26C11sing1.48Å1.55Å
C31O32sing1.36Å1.39Å
N03C02sing1.47Å1.53Å
N03C08sing1.38Å1.52Å
C01C02sing1.53Å1.53Å
C22C23doub1.38Å1.39ÅAromatic
C22C21sing1.39Å1.39ÅAromatic
C10C11doub1.38Å1.41ÅAromatic
C10C09sing1.40Å1.43ÅAromatic
C23C18sing1.39Å1.39ÅAromatic
C11C12sing1.40Å1.41ÅAromatic
C08C09doub1.41Å1.45ÅAromatic
C08C17sing1.40Å1.42ÅAromatic
C09C14sing1.42Å1.36ÅAromatic
C12C13doub1.36Å1.40ÅAromatic
C21C20doub1.38Å1.39ÅAromatic
C18C17sing1.48Å1.54Å
C18C19doub1.39Å1.39ÅAromatic
C17C16doub1.40Å1.41ÅAromatic
C14C13sing1.41Å1.45ÅAromatic
C14N15doub1.34Å1.38ÅAromatic
C16N15sing1.31Å1.34ÅAromatic
C20C19sing1.38Å1.39ÅAromatic
C20F25sing1.35Å1.37Å
C10H1sing1.08Å1.08Å
C13H2sing1.08Å1.08Å
C21H3sing1.08Å1.08Å
C28H4sing1.08Å1.08Å
C01H5sing1.09Å1.10Å
C01H6sing1.09Å1.10Å
C02H7sing1.09Å1.10Å
C02H8sing1.09Å1.10Å
C04H9sing1.09Å1.10Å
C04H10sing1.09Å1.10Å
C05H11sing1.09Å1.10Å
C05H12sing1.09Å1.10Å
C06H13sing1.09Å1.10Å
C12H14sing1.08Å1.08Å
C16H15sing1.08Å1.08Å
C19H16sing1.08Å1.08Å
C23H17sing1.08Å1.08Å
C27H18sing1.08Å1.08Å
C29H19sing1.08Å1.08Å
N07H20sing1.01Å1.00Å
N07H21sing1.01Å1.00Å
O32H23sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C04C05C06113.8°109.2°
C05C04N03113.6°109.5°
C05C04H9108.4°109.5°
C05C04H10108.4°109.4°
C04C05H11108.4°109.5°
C04C05H12108.4°109.5°
C05C06N07109.1°109.5°
C05C06C01112.9°109.2°
C06C05H11108.4°109.5°
C06C05H12108.4°109.5°
C05C06H13108.8°109.5°
C29C28C27119.9°120.4°
C28C29C30120.0°120.1°
C29C28H4120.0°119.7°
C28C29H19120.0°119.9°
C28C27C26120.2°120.3°
C27C28H4120.0°119.8°
C28C27H18119.9°119.9°
C29C30C33120.0°120.1°
C29C30C31120.2°119.7°
C30C29H19120.0°119.9°
N07C06C01108.5°109.5°
N07C06H13108.8°109.6°
C06N07H20109.5°111.0°
C06N07H21109.5°111.0°
C04N03C02109.9°111.2°
C04N03C08124.2°111.0°
N03C04H9108.5°109.5°
N03C04H10108.5°109.4°
C06C01C02111.8°109.3°
C06C01H5108.9°109.5°
C06C01H6108.9°109.6°
C01C06H13108.8°109.6°
C27C26C31119.9°119.9°
C27C26C11119.3°120.1°
C26C27H18119.9°119.8°
F24C22C23120.1°120.0°
F24C22C21120.1°119.9°
C33C30C31119.8°120.1°
C30C33N34179.9°180.0°
C30C31C26119.8°119.6°
C30C31O32119.4°120.2°
C31C26C11120.7°120.1°
C26C31O32120.8°120.2°
C26C11C10119.3°119.8°
C26C11C12120.8°119.8°
C31O32H23109.5°114.0°
C02N03C08121.4°111.0°
N03C02C01112.2°109.5°
N03C02H7108.8°109.4°
N03C02H8108.8°109.4°
N03C08C09122.2°121.1°
N03C08C17119.9°121.1°
C02C01H5108.9°109.4°
C02C01H6108.9°109.5°
C01C02H7108.8°109.5°
C01C02H8108.8°109.5°
C23C22C21119.8°120.1°
C22C23C18120.2°119.9°
C22C23H17119.9°120.1°
C22C21C20120.1°120.2°
C22C21H3119.9°119.9°
C11C10C09120.0°119.5°
C10C11C12119.9°120.4°
C11C10H1120.0°120.3°
C10C09C08120.8°121.2°
C10C09C14120.1°119.8°
C09C10H1120.0°120.2°
C23C18C17118.8°120.1°
C23C18C19120.2°119.8°
C18C23H17119.9°120.1°
C11C12C13119.9°120.9°
C11C12H14120.0°119.6°
C09C08C17118.0°117.8°
C08C09C14119.0°119.1°
C08C17C18119.2°120.3°
C08C17C16119.7°119.4°
C09C14C13120.3°119.3°
C09C14N15121.5°120.1°
C12C13C14119.7°120.2°
C12C13H2120.2°119.9°
C13C12H14120.0°119.5°
C21C20C19120.3°120.2°
C21C20F25119.7°119.9°
C20C21H3119.9°119.9°
C17C18C19121.0°120.1°
C18C17C16121.1°120.3°
C18C19C20119.5°119.9°
C18C19H16120.2°120.0°
C17C16N15120.4°121.7°
C17C16H15119.8°119.2°
C13C14N15118.3°120.6°
C14C13H2120.1°119.9°
C14N15C16121.4°121.9°
N15C16H15119.8°119.1°
C19C20F25120.0°119.9°
C20C19H16120.3°120.1°
H5C01H6109.5°109.5°
H7C02H8109.5°109.5°
H9C04H10109.5°109.5°
H11C05H12109.5°109.5°
H20N07H21109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C04C05C06H11120.7°119.9°
C04C05C06H12120.6°119.9°
C04C05C06N0768.5°177.6°
C05C04N03H9120.6°120.1°
C05C04N03H10120.6°119.9°
C04C05C06C0152.2°57.7°
C05C04N03C0247.1°61.8°
C05C04N03C08109.4°174.1°
C05C04H9H10118.1°119.9°
C04C05H11H12118.0°120.1°
C04C05C06H13173.0°62.3°
C05C06N07C01123.3°119.7°
C05C06N07H13118.5°120.1°
C06C05C04N0348.2°59.2°
C05C06C01H13120.8°119.9°
C05C06C01C0256.3°57.7°
C05C06C01H5176.6°177.6°
C05C06C01H664.1°62.3°
C06C05C04H9168.8°60.9°
C06C05C04H1072.4°179.2°
C06C05H11H12118.0°120.1°
C05C06N07H20180.0°180.0°
C05C06N07H2160.0°56.0°
C29C28C27H4180.0°179.8°
C28C29C30H19180.0°179.7°
C29C28C27C260.3°0.0°
C28C29C30C33180.0°180.0°
C28C29C30C310.0°0.5°
C29C28C27H18179.6°180.0°
C27C28C29C300.0°0.3°
C28C27C26H18180.0°179.9°
C28C27C26C310.6°0.0°
C28C27C26C11179.7°179.7°
C27C28C29H19180.0°180.0°
C29C30C33C31180.0°179.5°
C29C30C33N3450.1°131.8°
C29C30C31C260.3°0.5°
C29C30C31O32180.0°179.4°
C30C29C28H4180.0°179.9°
N07C06C01H13118.2°120.2°
N07C06C01C0264.7°177.6°
N07C06C01H555.6°62.5°
N07C06C01H6174.9°57.6°
N07C06C05H1152.2°57.6°
N07C06C05H12170.9°62.5°
C06N07H20H21120.0°123.9°
C04N03C02C08157.3°124.1°
C04N03C02C0151.3°61.8°
C04N03C08C0968.4°62.0°
C04N03C08C17112.5°118.0°
C04N03C02H7171.7°178.2°
C04N03C02H869.1°58.2°
N03C04H9H10118.2°120.0°
N03C04C05H11168.9°60.7°
N03C04C05H1272.4°179.2°
C06C01C02N0356.6°59.2°
C06C01C02H5120.3°119.9°
C06C01C02H6120.3°120.0°
C06C01H5H6118.9°120.2°
C06C01C02H7177.0°179.2°
C06C01C02H863.8°60.8°
C01C06C05H11172.9°62.3°
C01C06C05H1268.4°177.6°
C01C06N07H2056.6°60.3°
C01C06N07H2163.4°63.6°
C27C26C31C300.6°0.3°
C27C26C31C11179.0°179.7°
C27C26C31O32179.7°179.7°
C27C26C11C10125.8°49.7°
C27C26C11C1253.4°130.3°
C26C27C28H4179.7°179.8°
F24C22C23C21179.9°180.0°
F24C22C23C18180.0°179.8°
F24C22C21C20179.9°180.0°
F24C22C21H30.1°0.1°
F24C22C23H170.0°0.0°
C33C30C31C26179.7°180.0°
C33C30C31O320.0°0.0°
C33C30C29H190.0°0.2°
C31C30C33N34129.9°47.7°
C30C31C26O32179.7°180.0°
C30C31C26C11179.6°180.0°
C31C30C29H19180.0°179.7°
C30C31O32H23180.0°90.0°
C31C26C11C1053.2°130.0°
C31C26C11C12127.6°50.0°
C31C26C27H18179.3°180.0°
C26C31O32H230.3°90.0°
C11C26C31O320.7°0.0°
C26C11C10C12179.3°179.9°
C26C11C10C09179.7°180.0°
C26C11C12C13179.7°180.0°
C26C11C10H10.3°0.4°
C26C11C12H140.3°0.0°
C11C26C27H180.3°0.3°
N03C02C01H7120.4°120.0°
N03C02C01H8120.4°120.0°
C02N03C08C0985.5°62.2°
C02N03C08C1793.5°117.8°
N03C02C01H5176.9°179.1°
N03C02C01H663.7°60.8°
N03C02H7H8118.7°120.0°
C02N03C04H9167.6°58.3°
C02N03C04H1073.5°178.3°
C08N03C02C01106.0°174.1°
N03C08C09C100.6°0.1°
N03C08C09C17179.1°180.0°
N03C08C09C14179.5°180.0°
N03C08C17C181.2°0.0°
N03C08C17C16179.8°180.0°
C08N03C02H714.5°54.2°
C08N03C02H8133.6°65.9°
C08N03C04H911.1°65.8°
C08N03C04H10130.0°54.2°
C02C01H5H6119.0°120.1°
C01C02H7H8118.8°120.0°
C02C01C06H13177.1°62.2°
C22C23C18H17180.0°179.8°
C23C22C21C200.2°0.0°
C22C23C18C17180.0°180.0°
C22C23C18C190.1°0.4°
C23C22C21H3179.8°180.0°
C21C22C23C180.2°0.2°
C22C21C20H3180.0°179.9°
C22C21C20C190.2°0.0°
C22C21C20F25179.9°179.7°
C21C22C23H17179.8°180.0°
C11C10C09H1180.0°179.6°
C11C10C09C08179.9°179.9°
C11C10C09C140.3°0.0°
C10C11C12C130.4°0.1°
C10C11C12H14179.5°179.9°
C09C10C11C120.5°0.1°
C10C09C08C14179.8°179.9°
C10C09C08C17179.7°180.0°
C10C09C14C130.0°0.1°
C10C09C14N15180.0°180.0°
C23C18C17C0879.3°124.7°
C23C18C17C19179.9°179.6°
C23C18C17C1699.7°55.3°
C23C18C19C200.1°0.5°
C23C18C19H16179.9°179.5°
C11C12C13H14180.0°180.0°
C11C12C13C140.2°0.0°
C12C11C10H1179.5°179.7°
C11C12C13H2179.8°179.9°
C09C08C17C18179.7°180.0°
C09C08C17C160.7°0.0°
C08C09C14C13179.9°180.0°
C08C09C14N150.1°0.0°
C08C09C10H10.1°0.3°
C17C08C09C140.5°0.0°
C08C17C18C16179.0°180.0°
C08C17C18C19100.5°55.8°
C08C17C16N150.6°0.0°
C08C17C16H15179.4°179.9°
C09C14C13C120.0°0.1°
C09C14C13N15180.0°180.0°
C09C14N15C160.0°0.0°
C14C09C10H1179.7°179.7°
C09C14C13H2180.0°180.0°
C12C13C14H2180.0°179.9°
C12C13C14N15180.0°180.0°
C21C20C19C180.1°0.3°
C21C20C19F25179.9°179.7°
C21C20C19H16179.9°179.7°
C18C17C16N15179.6°180.0°
C17C18C19C20179.9°180.0°
C18C17C16H150.4°0.1°
C17C18C19H160.1°0.0°
C17C18C23H170.0°0.2°
C19C18C17C1680.5°124.2°
C18C19C20H16180.0°180.0°
C18C19C20F25180.0°180.0°
C19C18C23H17179.9°179.8°
C17C16N15C140.2°0.0°
C17C16N15H15180.0°179.9°
C13C14N15C16180.0°180.0°
C14C13C12H14179.8°180.0°
N15C14C13H20.0°0.0°
C14N15C16H15179.8°179.9°
C19C20C21H3179.8°180.0°
F25C20C21H30.1°0.3°
F25C20C19H160.0°0.0°
H2C13C12H140.2°0.1°
H4C28C27H180.4°0.2°
H4C28C29H190.0°0.2°
H5C01C02H762.7°60.9°
H5C01C02H856.6°59.2°
H5C01C06H1362.6°57.7°
H6C01C02H756.7°59.1°
H6C01C02H8175.9°179.2°
H6C01C06H1356.7°177.8°
H9C04C05H1170.5°179.2°
H9C04C05H1248.2°59.1°
H10C04C05H1148.3°59.2°
H10C04C05H12167.0°60.9°
H11C05C06H1366.3°177.8°
H12C05C06H1352.4°57.7°
H13C06N07H2061.5°59.9°
H13C06N07H21178.5°176.2°

248636

PDB entries from 2026-02-04

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