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EDK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.53Å1.50Å
C2Osing1.43Å1.43Å
C24C23doub1.38Å1.38ÅAromatic
C24C3sing1.39Å1.38ÅAromatic
C1Nsing1.46Å1.46Å
C23C6sing1.38Å1.38ÅAromatic
OC3sing1.36Å1.37Å
C3C4doub1.39Å1.38ÅAromatic
C6C7sing1.51Å1.51Å
C6C5doub1.38Å1.38ÅAromatic
C4C5sing1.38Å1.38ÅAromatic
C7C8sing1.53Å1.53Å
NCsing1.47Å1.46Å
NC25sing1.39Å1.43Å
N2C25doub1.32Å1.34ÅAromatic
N2C26sing1.32Å1.34ÅAromatic
O2C22doub1.21Å1.31Å
C25C29sing1.39Å1.39ÅAromatic
C26C27doub1.38Å1.38ÅAromatic
C8C22sing1.51Å1.51Å
C8N1sing1.47Å1.45Å
C22O3sing1.34Å1.21Å
N1C9sing1.39Å1.39Å
C29C28doub1.38Å1.38ÅAromatic
C27C28sing1.39Å1.38ÅAromatic
O1C15doub1.22Å1.23Å
C9C14doub1.39Å1.39ÅAromatic
C9C10sing1.40Å1.41ÅAromatic
C14C13sing1.38Å1.38ÅAromatic
C15C10sing1.47Å1.50Å
C15C16sing1.48Å1.49Å
C10C11doub1.40Å1.40ÅAromatic
C21C16doub1.40Å1.39ÅAromatic
C21C20sing1.38Å1.38ÅAromatic
C13C12doub1.39Å1.38ÅAromatic
C16C17sing1.40Å1.39ÅAromatic
C20C19doub1.38Å1.38ÅAromatic
C11C12sing1.38Å1.38ÅAromatic
C17C18doub1.38Å1.38ÅAromatic
C19C18sing1.38Å1.38ÅAromatic
O3H1sing0.97Å0.95Å
C4H2sing1.08Å1.08Å
C5H3sing1.08Å1.08Å
N1H4sing0.97Å1.00Å
C7H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C8H7sing1.09Å1.10Å
C11H8sing1.08Å1.08Å
C12H9sing1.08Å1.08Å
C13H10sing1.08Å1.08Å
C14H11sing1.08Å1.08Å
C21H12sing1.08Å1.08Å
C20H13sing1.08Å1.08Å
C19H14sing1.08Å1.08Å
C18H15sing1.08Å1.08Å
C17H16sing1.08Å1.08Å
C23H17sing1.08Å1.08Å
C24H18sing1.08Å1.08Å
C2H19sing1.09Å1.10Å
C2H20sing1.09Å1.10Å
C1H21sing1.09Å1.10Å
C1H22sing1.09Å1.10Å
CH23sing1.09Å1.10Å
CH24sing1.09Å1.10Å
CH25sing1.09Å1.10Å
C29H26sing1.08Å1.08Å
C28H27sing1.08Å1.08Å
C27H28sing1.08Å1.08Å
C26H29sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2O105.8°109.5°
C2C1N110.6°109.4°
C1C2H19110.4°109.5°
C1C2H20110.4°109.5°
C2C1H21109.2°109.5°
C2C1H22109.2°109.5°
C2OC3117.8°117.0°
OC2H19110.4°109.5°
OC2H20110.4°109.5°
C23C24C3119.7°120.0°
C24C23C6120.7°120.1°
C24C23H17119.6°120.0°
C23C24H18120.2°120.0°
C24C3O121.6°120.1°
C24C3C4120.1°119.9°
C3C24H18120.1°120.0°
C1NC120.3°120.0°
C1NC25121.5°120.1°
NC1H21109.2°109.5°
NC1H22109.1°109.5°
C23C6C7120.5°120.0°
C23C6C5119.0°120.1°
C6C23H17119.6°119.9°
OC3C4117.9°120.0°
C3C4C5119.7°119.9°
C3C4H2120.2°120.0°
C7C6C5120.5°119.9°
C6C7C8112.1°109.5°
C6C7H5108.8°109.4°
C6C7H6108.8°109.5°
C6C5C4120.8°120.0°
C6C5H3119.6°120.0°
C5C4H2120.1°120.0°
C4C5H3119.6°120.0°
C7C8C22108.5°109.5°
C7C8N1112.5°109.5°
C8C7H5108.8°109.5°
C8C7H6108.8°109.4°
C7C8H7107.3°109.5°
CNC25117.9°119.9°
NCH23109.5°109.6°
NCH24109.4°109.5°
NCH25109.5°109.5°
NC25N2119.0°119.7°
NC25C29117.3°119.7°
C25N2C26117.0°121.6°
N2C25C29123.7°120.6°
N2C26C27123.6°120.8°
N2C26H29118.2°119.6°
O2C22C8111.7°120.1°
O2C22O3125.4°120.0°
C25C29C28117.6°119.1°
C25C29H26121.2°120.5°
C26C27C28118.2°119.3°
C26C27H28120.9°120.4°
C27C26H29118.2°119.6°
C22C8N1112.4°109.4°
C8C22O3122.9°120.0°
C22C8H7107.6°109.5°
C8N1C9123.9°120.0°
C8N1H4105.7°119.9°
N1C8H7108.4°109.4°
C22O3H1109.5°117.0°
N1C9C14121.9°120.2°
N1C9C10117.9°120.2°
C9N1H4105.8°120.1°
C29C28C27120.0°118.5°
C28C29H26121.2°120.4°
C29C28H27120.0°120.7°
C27C28H27120.0°120.8°
C28C27H28120.9°120.3°
O1C15C10119.7°120.0°
O1C15C16119.0°120.0°
C14C9C10119.7°119.6°
C9C14C13120.3°120.0°
C9C14H11119.8°120.0°
C9C10C15121.9°120.2°
C9C10C11118.7°119.6°
C14C13C12120.3°120.5°
C14C13H10119.8°119.7°
C13C14H11119.9°120.0°
C10C15C16121.2°120.0°
C15C10C11119.4°120.2°
C15C16C21119.6°120.1°
C15C16C17121.8°120.2°
C10C11C12120.6°119.9°
C10C11H8119.7°120.1°
C16C21C20120.6°119.8°
C21C16C17118.5°119.7°
C16C21H12119.7°120.1°
C21C20C19120.2°120.1°
C20C21H12119.7°120.1°
C21C20H13119.9°120.0°
C13C12C11120.4°120.3°
C13C12H9119.8°119.8°
C12C13H10119.9°119.8°
C16C17C18120.6°119.9°
C16C17H16119.7°120.1°
C20C19C18119.9°120.3°
C19C20H13119.9°119.9°
C20C19H14120.1°119.8°
C12C11H8119.7°120.0°
C11C12H9119.8°119.9°
C17C18C19120.3°120.1°
C17C18H15119.9°120.0°
C18C17H16119.7°120.0°
C18C19H14120.0°119.9°
C19C18H15119.9°119.9°
H5C7H6109.5°109.5°
H19C2H20109.5°109.5°
H21C1H22109.5°109.4°
H23CH24109.5°109.5°
H23CH25109.4°109.4°
H24CH25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2OH19119.4°120.0°
C1C2OH20119.4°120.0°
C2C1NH21120.2°120.0°
C2C1NH22120.2°120.0°
C1C2OC3178.1°180.0°
C2C1NC91.9°90.1°
C2C1NC2582.8°90.0°
C1C2H19H20121.7°120.0°
C2C1H21H22119.5°120.0°
C2OC3C241.9°180.0°
OC2C1N68.8°65.0°
C2OC3C4171.2°0.5°
OC2H19H20121.7°120.0°
OC2C1H2151.4°175.0°
OC2C1H22171.1°55.0°
C23C24C3H18180.0°179.7°
C24C23C6H17180.0°179.9°
C23C24C3O171.1°180.0°
C23C24C3C41.8°0.6°
C24C23C6C7176.0°180.0°
C24C23C6C51.3°0.0°
C3C24C23C60.3°0.3°
C24C3OC4173.1°179.4°
C24C3C4C51.6°0.6°
C24C3C4H2178.4°179.8°
C3C24C23H17179.6°179.7°
C1NCC25174.9°179.9°
C1NC25N210.5°174.9°
C1NC25C29171.7°5.0°
NC1C2H1950.6°55.1°
NC1C2H20171.8°175.0°
NC1H21H22119.4°120.0°
C1NCH23180.0°89.9°
C1NCH2460.0°150.0°
C1NCH2560.0°30.0°
C23C6C7C5177.3°180.0°
C23C6C5C41.5°0.0°
C23C6C7C881.1°90.0°
C23C6C5H3178.5°179.9°
C23C6C7H539.3°30.0°
C23C6C7H6158.5°150.0°
C6C23C24H18179.7°180.0°
OC3C4C5171.6°180.0°
OC3C4H28.4°0.3°
OC3C24H188.9°0.3°
C3OC2H1958.7°60.0°
C3OC2H2062.4°60.0°
C3C4C5C60.1°0.3°
C3C4C5H2180.0°179.7°
C3C4C5H3179.9°179.8°
C4C3C24H18178.2°179.7°
C7C6C5C4175.8°180.0°
C6C7C8H5120.4°120.0°
C6C7C8H6120.4°120.0°
C6C7C8C22179.9°175.0°
C6C7C8N155.2°65.0°
C7C6C5H34.2°0.1°
C6C7H5H6118.8°120.0°
C6C7C8H763.9°54.9°
C7C6C23H174.0°0.1°
C6C5C4H3180.0°179.9°
C5C6C7C896.1°90.0°
C6C5C4H2179.9°179.9°
C5C6C7H5143.5°150.0°
C5C6C7H624.3°30.0°
C5C6C23H17178.7°180.0°
C7C8C22O286.8°120.0°
C7C8C22N1125.0°120.0°
C7C8C22H7115.8°120.0°
C7C8N1H7118.5°120.0°
C7C8C22O391.8°60.0°
C7C8N1C9171.1°155.0°
C7C8N1H466.9°25.0°
C8C7H5H6118.8°120.0°
CNC25N2174.8°5.0°
CNC25C293.1°175.0°
CNC1H2128.3°30.0°
CNC1H22147.9°150.0°
NCH23H24120.0°120.1°
NCH23H25120.0°120.0°
NCH24H25120.0°120.0°
NC25N2C29177.7°180.0°
NC25N2C26177.2°180.0°
NC25C29C28177.0°180.0°
C25NC1H21157.0°150.0°
C25NC1H2237.4°30.0°
C25NCH235.2°90.0°
C25NCH24114.9°30.0°
C25NCH25125.1°150.0°
NC25C29H263.0°0.0°
C25N2C26C270.0°0.0°
N2C25C29C280.8°0.1°
N2C25C29H26179.2°180.0°
C25N2C26H29180.0°180.0°
C26N2C25C290.5°0.0°
N2C26C27H29180.0°179.9°
N2C26C27C280.3°0.1°
N2C26C27H28179.7°180.0°
O2C22C8O3178.6°180.0°
O2C22C8N1148.2°0.0°
O2C22O3H10.0°0.1°
O2C22C8H729.0°120.0°
C25C29C28H26180.0°179.9°
C25C29C28C270.4°0.0°
C25C29C28H27179.6°180.0°
C26C27C28C290.0°0.1°
C26C27C28H28180.0°179.9°
C26C27C28H27180.0°180.0°
C22C8N1H7118.7°120.0°
C22C8N1C966.1°85.0°
C8C22O3H1178.4°179.9°
C22C8N1H455.8°95.1°
C22C8C7H559.5°55.0°
C22C8C7H659.8°65.0°
N1C8C22O333.2°179.9°
C8N1C9H4122.0°180.0°
C8N1C9C148.5°5.3°
C8N1C9C10163.2°174.4°
N1C8C7H5175.6°175.0°
N1C8C7H665.2°55.0°
O3C22C8H7152.4°60.0°
N1C9C14C10171.5°179.7°
N1C9C14C13171.2°179.7°
N1C9C10C158.8°0.0°
N1C9C10C11170.7°180.0°
C9N1C8H752.6°35.0°
N1C9C14H118.8°0.0°
C29C28C27H27180.0°180.0°
C29C28C27H28179.9°180.0°
C27C28C29H26179.6°180.0°
C28C27C26H29179.7°180.0°
O1C15C10C90.6°105.8°
O1C15C10C16179.1°179.9°
O1C15C10C11178.9°74.3°
O1C15C16C2149.4°174.9°
O1C15C16C17127.6°5.3°
C9C14C13H11180.0°179.7°
C14C9C10C15179.3°179.7°
C14C9C10C111.2°0.3°
C9C14C13C120.6°0.6°
C14C9N1H4113.5°174.7°
C9C14C13H10179.4°179.7°
C10C9C14C130.3°0.6°
C9C10C15C11179.5°180.0°
C9C10C15C16179.7°74.2°
C9C10C11C121.1°0.0°
C10C9N1H474.9°5.6°
C9C10C11H8178.9°179.9°
C10C9C14H11179.7°179.7°
C14C13C12H10180.0°179.7°
C14C13C12C110.7°0.3°
C14C13C12H9179.3°179.8°
C10C15C16C21129.8°5.2°
C10C15C16C1753.2°174.6°
C15C10C11C12179.4°180.0°
C15C10C11H80.6°0.0°
C16C15C10C110.2°105.8°
C15C16C21C17177.1°179.8°
C15C16C21C20176.7°180.0°
C15C16C17C18176.9°179.7°
C15C16C21H123.3°0.1°
C15C16C17H163.1°0.0°
C10C11C12C130.2°0.0°
C10C11C12H8180.0°180.0°
C10C11C12H9179.8°179.9°
C16C21C20H12180.0°180.0°
C16C21C20C190.3°0.0°
C21C16C17C180.1°0.5°
C16C21C20H13179.7°180.0°
C21C16C17H16179.9°179.8°
C20C21C16C170.4°0.2°
C21C20C19H13180.0°180.0°
C21C20C19C180.0°0.1°
C21C20C19H14180.0°180.0°
C13C12C11H9180.0°179.9°
C13C12C11H8179.8°179.9°
C12C13C14H11179.4°179.7°
C16C17C18H16180.0°179.7°
C16C17C18C190.3°0.5°
C17C16C21H12179.7°179.8°
C16C17C18H15179.8°179.7°
C20C19C18C170.3°0.2°
C20C19C18H14180.0°179.9°
C19C20C21H12179.7°179.9°
C20C19C18H15179.7°180.0°
C11C12C13H10179.3°180.0°
C17C18C19H15180.0°179.8°
C17C18C19H14179.7°179.7°
C18C19C20H13180.0°180.0°
C19C18C17H16179.8°179.8°
H2C4C5H30.1°0.1°
H4N1C8H7174.6°145.0°
H5C7C8H756.5°65.0°
H6C7C8H7175.7°175.0°
H8C11C12H90.2°0.0°
H9C12C13H100.6°0.1°
H10C13C14H110.6°0.0°
H12C21C20H130.3°0.1°
H13C20C19H140.0°0.0°
H14C19C18H150.3°0.1°
H15C18C17H160.2°0.0°
H17C23C24H180.3°0.1°
H19C2C1H21170.8°65.0°
H19C2C1H2269.5°175.0°
H20C2C1H2168.0°55.0°
H20C2C1H2251.7°65.0°
H23CH24H25120.0°119.9°
H26C29C28H270.4°0.0°
H27C28C27H280.1°0.1°
H28C27C26H290.3°0.1°

221716

PDB entries from 2024-06-26

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