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X4U

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O33N32sing1.42Å1.39Å
N32C30sing1.35Å1.42Å
C30O31doub1.21Å1.19Å
C30C29sing1.51Å1.53Å
C28C29sing1.53Å1.52Å
C28C27sing1.53Å1.53Å
C26C27sing1.53Å1.52Å
C26C25sing1.53Å1.53Å
C25C24sing1.53Å1.51Å
C24N23sing1.46Å1.44Å
N23C21sing1.35Å1.43Å
C02C03doub1.38Å1.39ÅAromatic
C02C01sing1.38Å1.39ÅAromatic
C03C04sing1.39Å1.39ÅAromatic
C17N16doub1.32Å1.32ÅAromatic
C17C18sing1.40Å1.38ÅAromatic
C21C18sing1.48Å1.51Å
C21O22doub1.22Å1.19Å
CL14C13sing1.74Å1.78Å
C01C06doub1.38Å1.39ÅAromatic
N16C15sing1.33Å1.32ÅAromatic
C18C19doub1.40Å1.38ÅAromatic
C04N07sing1.40Å1.45Å
C04C05doub1.39Å1.39ÅAromatic
C15N07sing1.38Å1.43Å
C15N20doub1.33Å1.31ÅAromatic
C19N20sing1.32Å1.31ÅAromatic
N07C08sing1.40Å1.45Å
C06C05sing1.38Å1.39ÅAromatic
C13C08doub1.39Å1.39ÅAromatic
C13C12sing1.38Å1.38ÅAromatic
C08C09sing1.39Å1.38ÅAromatic
C12C11doub1.38Å1.38ÅAromatic
C09C10doub1.38Å1.39ÅAromatic
C11C10sing1.38Å1.39ÅAromatic
C01H1sing1.08Å1.08Å
C02H2sing1.08Å1.08Å
C03H3sing1.08Å1.08Å
C05H4sing1.08Å1.08Å
C06H5sing1.08Å1.08Å
C09H6sing1.08Å1.08Å
C10H7sing1.08Å1.08Å
C11H8sing1.08Å1.08Å
C12H9sing1.08Å1.08Å
C17H10sing1.08Å1.08Å
C19H11sing1.08Å1.08Å
C24H12sing1.09Å1.10Å
C24H13sing1.09Å1.10Å
C25H14sing1.09Å1.10Å
C25H15sing1.09Å1.10Å
C26H16sing1.09Å1.10Å
C26H17sing1.09Å1.10Å
C27H18sing1.09Å1.10Å
C27H19sing1.09Å1.10Å
C28H20sing1.09Å1.10Å
C28H21sing1.09Å1.10Å
C29H22sing1.09Å1.10Å
C29H23sing1.09Å1.10Å
N23H24sing0.97Å1.00Å
N32H25sing0.97Å1.00Å
O33H26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O33N32C30119.1°120.0°
O33N32H25120.4°120.0°
N32O33H26109.5°114.0°
N32C30O31119.6°120.0°
N32C30C29117.9°120.0°
C30N32H25120.4°120.1°
O31C30C29122.6°120.0°
C30C29C28112.6°109.4°
C30C29H22108.7°109.4°
C30C29H23108.7°109.5°
C29C28C27110.4°109.4°
C29C28H20109.2°109.5°
C29C28H21109.2°109.4°
C28C29H22108.7°109.5°
C28C29H23108.7°109.5°
C28C27C26108.0°109.5°
C28C27H18109.8°109.5°
C28C27H19109.8°109.5°
C27C28H20109.3°109.5°
C27C28H21109.3°109.5°
C27C26C25111.5°109.5°
C27C26H16109.0°109.5°
C27C26H17109.0°109.5°
C26C27H18109.8°109.5°
C26C27H19109.8°109.5°
C26C25C24107.1°109.5°
C26C25H14110.1°109.4°
C26C25H15110.1°109.4°
C25C26H16109.0°109.4°
C25C26H17108.9°109.4°
C25C24N23111.3°109.4°
C25C24H12109.0°109.5°
C25C24H13109.0°109.5°
C24C25H14110.0°109.5°
C24C25H15110.1°109.5°
C24N23C21115.1°120.0°
N23C24H12109.0°109.4°
N23C24H13109.0°109.5°
C24N23H24122.4°120.0°
N23C21C18115.4°120.0°
N23C21O22121.6°120.0°
C21N23H24122.4°120.0°
C03C02C01119.4°120.1°
C02C03C04119.3°119.9°
C03C02H2120.3°119.9°
C02C03H3120.3°120.0°
C02C01C06121.0°120.1°
C02C01H1119.5°119.9°
C01C02H2120.3°120.0°
C03C04N07120.2°120.1°
C03C04C05121.4°119.9°
C04C03H3120.4°120.0°
N16C17C18119.0°119.0°
C17N16C15119.2°120.9°
N16C17H10120.5°120.5°
C17C18C21120.2°120.9°
C17C18C19119.8°118.3°
C18C17H10120.5°120.5°
C18C21O22122.9°120.0°
C21C18C19119.9°120.9°
CL14C13C08121.0°120.1°
CL14C13C12118.5°120.0°
C01C06C05119.9°120.1°
C06C01H1119.5°119.9°
C01C06H5120.1°119.9°
N16C15N07120.0°119.1°
N16C15N20123.1°121.9°
C18C19N20118.2°119.0°
C18C19H11120.9°120.5°
N07C04C05118.4°120.0°
C04N07C15120.0°120.0°
C04N07C08121.4°120.0°
C04C05C06119.0°119.9°
C04C05H4120.5°120.0°
N07C15N20116.8°119.0°
C15N07C08118.6°120.0°
C15N20C19120.6°120.9°
N20C19H11120.9°120.5°
N07C08C13121.4°120.1°
N07C08C09118.3°120.1°
C06C05H4120.5°120.1°
C05C06H5120.1°120.0°
C08C13C12120.4°119.9°
C13C08C09120.2°119.8°
C13C12C11119.2°120.1°
C13C12H9120.4°120.0°
C08C09C10119.3°120.0°
C08C09H6120.4°120.0°
C12C11C10120.7°120.2°
C12C11H8119.6°119.9°
C11C12H9120.4°120.0°
C09C10C11120.1°120.1°
C10C09H6120.4°120.0°
C09C10H7119.9°120.0°
C11C10H7119.9°120.0°
C10C11H8119.7°119.9°
H12C24H13109.5°109.5°
H14C25H15109.5°109.5°
H16C26H17109.5°109.5°
H18C27H19109.5°109.4°
H20C28H21109.5°109.5°
H22C29H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O33N32C30H25180.0°179.9°
O33N32C30O310.2°0.0°
O33N32C30C29179.5°180.0°
N32C30O31C29179.3°180.0°
N32C30C29C2814.9°180.0°
N32C30C29H22135.3°60.0°
N32C30C29H23105.6°59.9°
C30N32O33H260.1°179.9°
O31C30C29C28165.8°0.0°
O31C30C29H2245.4°120.0°
O31C30C29H2373.7°120.0°
O31C30N32H25179.8°180.0°
C30C29C28H22120.5°119.9°
C30C29C28H23120.5°120.0°
C30C29C28C27176.0°180.0°
C30C29C28H2055.9°60.0°
C30C29C28H2163.8°60.0°
C30C29H22H23118.6°120.0°
C29C30N32H250.5°0.1°
C29C28C27H20120.1°120.0°
C29C28C27H21120.1°119.9°
C29C28C27C2668.7°180.0°
C29C28C27H1851.0°60.0°
C29C28C27H19171.5°60.0°
C29C28H20H21119.5°120.0°
C28C29H22H23118.6°120.1°
C28C27C26H18119.8°120.0°
C28C27C26H19119.8°120.0°
C28C27C26C25172.9°180.0°
C28C27C26H1652.5°60.0°
C28C27C26H1766.8°60.0°
C28C27H18H19120.7°120.0°
C27C28H20H21119.6°120.1°
C27C28C29H2263.5°60.0°
C27C28C29H2355.6°60.0°
C27C26C25H16120.3°120.0°
C27C26C25H17120.3°120.0°
C27C26C25C24132.3°180.0°
C27C26C25H1412.7°60.0°
C27C26C25H15108.1°60.0°
C27C26H16H17119.1°120.0°
C26C27H18H19120.7°120.0°
C26C27C28H20171.2°60.0°
C26C27C28H2151.4°60.1°
C26C25C24H14119.6°120.0°
C26C25C24H15119.7°120.0°
C26C25C24N23166.6°180.0°
C26C25C24H1246.4°60.0°
C26C25C24H1373.1°60.0°
C26C25H14H15121.1°119.9°
C25C26H16H17119.0°119.9°
C25C26C27H1867.4°60.0°
C25C26C27H1953.1°60.0°
C25C24N23H12120.3°120.0°
C25C24N23H13120.3°120.0°
C25C24N23C21138.2°180.0°
C25C24H12H13119.2°120.1°
C24C25H14H15121.1°120.0°
C24C25C26H16107.4°60.0°
C24C25C26H1711.9°60.0°
C25C24N23H2441.8°0.0°
C24N23C21H24180.0°179.9°
C24N23C21C18178.3°180.0°
C24N23C21O222.0°0.1°
N23C24H12H13119.2°120.0°
N23C24C25H1473.7°60.0°
N23C24C25H1547.0°60.0°
N23C21C18C1731.2°180.0°
N23C21C18O22176.2°179.9°
N23C21C18C19146.4°0.3°
C21N23C24H12101.6°60.0°
C21N23C24H1317.9°60.0°
C03C02C01H2180.0°180.0°
C02C03C04H3180.0°180.0°
C03C02C01C060.4°0.0°
C02C03C04N07179.9°180.0°
C02C03C04C050.5°0.0°
C03C02C01H1179.6°179.7°
C01C02C03C040.6°0.0°
C02C01C06H1180.0°179.7°
C02C01C06C050.2°0.0°
C01C02C03H3179.4°180.0°
C02C01C06H5179.8°179.7°
C03C04N07C05179.5°180.0°
C03C04N07C1561.7°112.6°
C03C04N07C08117.8°67.3°
C03C04C05C060.3°0.0°
C04C03C02H2179.4°180.0°
C03C04C05H4179.7°179.9°
N16C17C18H10180.0°180.0°
N16C17C18C21179.1°180.0°
N16C17C18C191.5°0.3°
C17N16C15N07178.4°180.0°
C17N16C15N200.4°0.3°
C17C18C21C19177.6°179.7°
C17C18C21O22152.7°0.0°
C18C17N16C151.3°0.0°
C17C18C19N200.7°0.3°
C17C18C19H11179.3°180.0°
C21C18C19N20178.3°180.0°
C21C18C17H101.0°0.0°
C21C18C19H111.7°0.3°
C18C21N23H241.7°0.1°
O22C21C18C1929.7°179.7°
O22C21N23H24178.0°180.0°
CL14C13C08N070.4°0.3°
CL14C13C08C12178.9°180.0°
CL14C13C08C09179.9°180.0°
CL14C13C12C11179.9°180.0°
CL14C13C12H90.1°0.0°
C01C06C05C040.1°0.0°
C01C06C05H5180.0°179.7°
C06C01C02H2179.6°180.0°
C01C06C05H4179.9°179.9°
N16C15N07C042.7°5.2°
N16C15N07N20178.9°179.7°
N16C15N20C190.3°0.3°
N16C15N07C08176.8°174.8°
C15N16C17H10178.7°180.0°
C18C19N20C150.2°0.0°
C18C19N20H11180.0°179.7°
C19C18C17H10178.6°179.7°
C04N07C15C08179.5°180.0°
C04N07C15N20178.4°175.1°
N07C04C05C06179.7°180.0°
C04N07C08C1377.9°90.3°
C04N07C08C09102.7°90.0°
N07C04C03H30.0°0.0°
N07C04C05H40.3°0.1°
C05C04N07C15117.8°67.4°
C05C04N07C0862.8°112.7°
C04C05C06H4180.0°179.9°
C05C04C03H3179.5°180.0°
C04C05C06H5179.9°179.7°
N07C15N20C19179.2°180.0°
C15N07C08C13101.6°89.7°
C15N07C08C0977.9°90.0°
N20C15N07C082.1°4.8°
C15N20C19H11179.8°179.7°
N07C08C13C09179.4°179.7°
N07C08C13C12179.3°179.7°
N07C08C09C10179.9°179.7°
N07C08C09H60.2°0.3°
C05C06C01H1179.8°179.7°
C08C13C12C111.2°0.0°
C13C08C09C100.7°0.0°
C13C08C09H6179.3°180.0°
C08C13C12H9178.8°180.0°
C12C13C08C091.3°0.0°
C13C12C11H9180.0°180.0°
C13C12C11C100.6°0.0°
C13C12C11H8179.5°179.9°
C08C09C10H6180.0°180.0°
C08C09C10C110.0°0.0°
C08C09C10H7180.0°180.0°
C12C11C10C090.0°0.0°
C12C11C10H8180.0°179.9°
C12C11C10H7180.0°180.0°
C09C10C11H7180.0°180.0°
C09C10C11H8180.0°179.9°
C11C10C09H6179.9°180.0°
C10C11C12H9179.4°180.0°
H1C01C02H20.4°0.3°
H1C01C06H50.2°0.0°
H2C02C03H30.6°0.0°
H4C05C06H50.1°0.4°
H6C09C10H70.1°0.0°
H7C10C11H80.0°0.1°
H8C11C12H90.6°0.0°
H12C24C25H14166.0°60.0°
H12C24C25H1573.3°180.0°
H12C24N23H2478.4°120.0°
H13C24C25H1446.6°180.0°
H13C24C25H15167.3°60.0°
H13C24N23H24162.1°120.0°
H14C25C26H16133.0°180.0°
H14C25C26H17107.7°60.0°
H15C25C26H1612.2°60.1°
H15C25C26H17131.6°180.0°
H16C26C27H18172.3°180.0°
H16C26C27H1967.2°60.0°
H17C26C27H1852.9°60.0°
H17C26C27H19173.4°179.9°
H18C27C28H2069.1°180.0°
H18C27C28H21171.2°59.9°
H19C27C28H2051.4°60.0°
H19C27C28H2168.3°179.9°
H20C28C29H22176.3°180.0°
H20C28C29H2364.6°60.0°
H21C28C29H2256.7°59.9°
H21C28C29H23175.7°180.0°
H25N32O33H26179.9°0.0°

223532

PDB entries from 2024-08-07

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