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CEK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.51Å1.53Å
C2O3doub1.21Å1.23Å
C2C4sing1.41Å1.52Å
C4C5sing1.42Å1.56Å
C4C9doub1.41Å1.37Å
C5C6sing1.51Å1.58Å
C5O18doub1.21Å1.23Å
C6C7sing1.53Å1.54Å
C6C12sing1.51Å1.53Å
C6C17sing1.53Å1.55Å
C7C8doub1.34Å1.36Å
C7O10sing1.35Å1.37Å
C8C9sing1.40Å1.37Å
C9O19sing1.35Å1.37Å
O10C11sing1.37Å1.39Å
C11C12doub1.39Å1.40ÅAromatic
C11C13sing1.40Å1.41ÅAromatic
C12C16sing1.38Å1.39ÅAromatic
C13C14doub1.40Å1.42ÅAromatic
C13C23sing1.47Å1.53Å
C14C15sing1.38Å1.41ÅAromatic
C14O21sing1.36Å1.40Å
C15C16doub1.39Å1.39ÅAromatic
C16O20sing1.36Å1.37Å
O21C22sing1.43Å1.45Å
C23O24doub1.22Å1.23Å
C23N25sing1.35Å1.35Å
N25C26sing1.46Å1.48Å
C26C27sing1.51Å1.55Å
C27C28doub1.41Å1.42ÅAromatic
C27C32sing1.36Å1.40ÅAromatic
C28C29sing1.42Å1.44ÅAromatic
C28C36sing1.41Å1.41ÅAromatic
C29C30doub1.40Å1.39ÅAromatic
C29C33sing1.41Å1.40ÅAromatic
C30C31sing1.36Å1.39ÅAromatic
C31C32doub1.39Å1.39ÅAromatic
C33C34doub1.36Å1.39ÅAromatic
C34C35sing1.39Å1.39ÅAromatic
C35C36doub1.36Å1.39ÅAromatic
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
C15H15sing1.08Å1.08Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C17H17Bsing1.09Å1.10Å
O19HO19sing0.97Å0.95Å
O20HO20sing0.97Å0.95Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C22H22Bsing1.09Å1.10Å
N25HN25sing0.97Å1.00Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C30H30sing1.08Å1.08Å
C31H31sing1.08Å1.08Å
C32H32sing1.08Å1.08Å
C33H33sing1.08Å1.08Å
C34H34sing1.08Å1.08Å
C35H35sing1.08Å1.08Å
C36H36sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2O3120.8°120.0°
C1C2C4118.4°120.0°
C2C1H1109.5°109.5°
C2C1H1A109.4°109.5°
C2C1H1B109.5°109.5°
O3C2C4120.8°120.0°
C2C4C5118.1°119.8°
C2C4C9123.9°119.8°
C5C4C9117.9°120.4°
C4C5C6114.2°116.9°
C4C5O18123.5°121.6°
C4C9C8124.0°122.5°
C4C9O19119.5°118.8°
C6C5O18122.3°121.6°
C5C6C7109.4°116.3°
C5C6C12121.4°110.1°
C5C6C17109.2°109.7°
C7C6C1293.8°100.1°
C7C6C17110.8°110.0°
C6C7C8122.8°119.1°
C6C7O10113.8°102.1°
C12C6C17111.1°110.3°
C6C12C11109.1°104.4°
C6C12C16130.3°134.7°
C6C17H17109.5°109.5°
C6C17H17A109.5°109.4°
C6C17H17B109.5°109.4°
C8C7O10123.3°138.6°
C7C8C9121.4°121.3°
C7C8H8119.3°119.3°
C7O10C11101.3°107.8°
C8C9O19116.5°118.7°
C9C8H8119.3°119.3°
C9O19HO19109.5°117.0°
O10C11C12112.6°109.8°
O10C11C13126.5°131.2°
C12C11C13120.8°118.9°
C11C12C16120.6°120.9°
C11C13C14118.4°119.8°
C11C13C23117.6°120.1°
C12C16C15119.6°120.2°
C12C16O20121.3°119.9°
C14C13C23124.0°120.1°
C13C14C15119.6°120.2°
C13C14O21117.6°119.9°
C13C23O24120.4°120.0°
C13C23N25123.3°120.0°
C15C14O21122.7°119.9°
C14C15C16120.9°119.9°
C14C15H15119.6°120.1°
C14O21C22125.1°117.0°
C15C16O20119.1°119.9°
C16C15H15119.5°120.0°
C16O20HO20109.5°113.9°
O21C22H22109.5°109.4°
O21C22H22A109.5°109.5°
O21C22H22B109.4°109.4°
O24C23N25116.2°120.0°
C23N25C26125.9°120.0°
C23N25HN25117.1°120.0°
N25C26C27112.7°109.5°
C26N25HN25117.1°120.0°
N25C26H26108.4°109.5°
N25C26H26A108.4°109.5°
C26C27C28124.7°120.2°
C26C27C32116.1°120.2°
C27C26H26108.4°109.4°
C27C26H26A108.4°109.4°
C28C27C32119.2°119.7°
C27C28C29119.0°119.3°
C27C28C36122.8°121.3°
C27C32C31121.1°121.0°
C27C32H32119.5°119.5°
C29C28C36118.2°119.4°
C28C29C30119.7°119.4°
C28C29C33119.7°119.3°
C28C36C35120.9°119.6°
C28C36H36119.5°120.2°
C30C29C33120.6°121.3°
C29C30C31120.5°119.6°
C29C30H30119.7°120.2°
C29C33C34120.1°119.7°
C29C33H33119.9°120.2°
C30C31C32120.6°121.0°
C31C30H30119.8°120.2°
C30C31H31119.7°119.5°
C32C31H31119.7°119.5°
C31C32H32119.5°119.5°
C33C34C35120.6°121.0°
C34C33H33119.9°120.1°
C33C34H34119.7°119.6°
C34C35C36120.4°121.0°
C35C34H34119.7°119.5°
C34C35H35119.8°119.5°
C36C35H35119.8°119.5°
C35C36H36119.6°120.2°
H1C1H1A109.5°109.4°
H1C1H1B109.5°109.4°
H1AC1H1B109.5°109.5°
H17C17H17A109.5°109.5°
H17C17H17B109.4°109.5°
H17AC17H17B109.5°109.5°
H22C22H22A109.5°109.5°
H22C22H22B109.5°109.5°
H22AC22H22B109.5°109.5°
H26C26H26A110.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2O3C4179.0°180.0°
C1C2C4C536.7°0.0°
C1C2C4C9143.4°179.7°
C2C1H1H1A120.0°120.0°
C2C1H1H1B120.0°120.0°
C2C1H1AH1B120.0°120.0°
O3C2C4C5144.3°180.0°
O3C2C4C935.6°0.3°
O3C2C1H10.0°0.0°
O3C2C1H1A120.0°120.0°
O3C2C1H1B120.0°120.0°
C2C4C5C9179.9°179.7°
C2C4C5C6154.3°177.0°
C2C4C5O1825.3°2.9°
C2C4C9C8179.7°169.8°
C2C4C9O190.0°10.4°
C4C2C1H1179.0°180.0°
C4C2C1H1A59.0°60.0°
C4C2C1H1B61.0°60.0°
C4C5C6O18179.6°179.9°
C4C5C6C735.2°17.3°
C4C5C6C12142.4°130.2°
C4C5C6C1786.2°108.2°
C5C4C9C80.4°9.9°
C5C4C9O19179.9°169.9°
C9C4C5C625.6°3.3°
C9C4C5O18154.8°176.8°
C4C9C8C714.4°7.5°
C4C9C8O19179.7°179.8°
C4C9O19HO1912.7°180.0°
C4C9C8H8165.6°172.3°
C5C6C7C12125.2°118.5°
C5C6C7C17120.5°125.4°
C5C6C12C17130.5°121.1°
C5C6C7C824.6°20.1°
C5C6C7O10155.0°155.0°
C5C6C12C11131.6°144.3°
C5C6C12C1648.5°35.6°
C5C6C17H17180.0°60.7°
C5C6C17H17A60.0°179.3°
C5C6C17H17B60.0°59.3°
O18C5C6C7145.2°162.8°
O18C5C6C1238.0°49.9°
O18C5C6C1793.4°71.7°
C7C6C12C17114.0°115.8°
C6C7C8O10179.5°172.7°
C6C7C8C90.0°7.9°
C6C7O10C1131.2°39.2°
C7C6C12C1116.1°21.3°
C7C6C12C16163.9°158.6°
C7C6C17H1759.4°170.2°
C7C6C17H17A60.6°50.2°
C7C6C17H17B179.4°69.8°
C6C7C8H8180.0°172.3°
C12C6C7C8149.8°138.6°
C12C6C7O1029.8°36.5°
C6C12C11O100.1°0.6°
C6C12C11C16180.0°179.9°
C6C12C11C13179.9°179.5°
C6C12C16C15179.9°179.6°
C6C12C16O200.1°0.3°
C12C6C17H1743.4°60.7°
C12C6C17H17A163.4°59.3°
C12C6C17H17B76.6°179.3°
C17C6C7C895.9°105.3°
C17C6C7O1084.5°79.6°
C17C6C12C1197.9°94.5°
C17C6C12C1682.1°85.6°
C6C17H17H17A120.0°120.0°
C6C17H17H17B120.0°120.0°
C6C17H17AH17B120.0°119.9°
C7C8C9H8180.0°179.8°
C7C8C9O19165.8°172.3°
C8C7O10C11148.4°134.3°
O10C7C8C9179.5°164.7°
C7O10C11C1218.4°26.4°
C7O10C11C13161.7°153.7°
O10C7C8H80.5°15.0°
C8C9O19HO19167.5°0.2°
O19C9C8H814.2°8.0°
O10C11C12C13180.0°179.9°
O10C11C12C16179.9°179.4°
O10C11C13C14180.0°179.5°
O10C11C13C230.0°0.6°
C12C11C13C140.1°0.4°
C12C11C13C23180.0°179.5°
C11C12C16C150.1°0.3°
C11C12C16O20180.0°179.8°
C13C11C12C160.1°0.5°
C11C13C14C23180.0°180.0°
C11C13C14C150.0°0.2°
C11C13C14O21180.0°179.9°
C11C13C23O2425.3°90.0°
C11C13C23N25156.5°89.9°
C12C16C15C140.0°0.0°
C12C16C15O20179.9°180.0°
C12C16C15H15180.0°180.0°
C12C16O20HO2028.4°90.0°
C13C14C15O21180.0°179.9°
C13C14C15C160.0°0.0°
C13C14O21C22172.1°180.0°
C14C13C23O24154.7°90.0°
C14C13C23N2523.4°90.0°
C13C14C15H15180.0°179.9°
C23C13C14C15180.0°179.8°
C23C13C14O210.0°0.1°
C13C23O24N25178.2°180.0°
C13C23N25C26147.2°180.0°
C13C23N25HN2532.8°0.0°
C14C15C16H15180.0°180.0°
C14C15C16O20180.0°180.0°
C15C14O21C227.9°0.1°
O21C14C15C16180.0°179.9°
O21C14C15H150.0°0.2°
C14O21C22H22180.0°60.0°
C14O21C22H22A60.0°60.1°
C14O21C22H22B60.0°179.9°
C15C16O20HO20151.7°90.0°
O20C16C15H150.1°0.1°
O21C22H22H22A120.0°120.0°
O21C22H22H22B120.0°119.9°
O21C22H22AH22B120.0°119.9°
O24C23N25C2634.6°0.1°
O24C23N25HN25145.3°180.0°
C23N25C26HN25180.0°179.9°
C23N25C26C27147.7°180.0°
C23N25C26H2627.7°60.1°
C23N25C26H26A92.3°60.0°
N25C26C27H26120.0°120.0°
N25C26C27H26A120.0°120.1°
N25C26C27C2848.9°79.9°
N25C26C27C32130.9°100.3°
N25C26H26H26A118.7°120.1°
C26C27C28C32179.8°179.8°
C26C27C28C29179.8°180.0°
C26C27C28C360.1°0.0°
C26C27C32C31179.9°179.7°
C27C26N25HN2532.3°0.0°
C27C26H26H26A118.7°119.9°
C26C27C32H320.1°0.0°
C27C28C29C36179.9°180.0°
C27C28C29C300.0°0.0°
C27C28C29C33180.0°179.9°
C28C27C32C310.1°0.4°
C27C28C36C35180.0°180.0°
C28C27C26H26168.9°40.1°
C28C27C26H26A71.1°160.0°
C28C27C32H32179.9°179.8°
C27C28C36H360.0°0.0°
C32C27C28C290.0°0.2°
C32C27C28C36179.9°179.8°
C27C32C31C300.1°0.4°
C27C32C31H32180.0°179.8°
C32C27C26H2610.9°139.7°
C32C27C26H26A109.1°19.8°
C27C32C31H31179.9°179.7°
C28C29C30C33180.0°179.9°
C28C29C30C310.0°0.0°
C28C29C33C340.0°0.1°
C29C28C36C350.1°0.0°
C28C29C30H30180.0°179.9°
C28C29C33H33180.0°180.0°
C29C28C36H36179.9°180.0°
C36C28C29C30179.9°180.0°
C36C28C29C330.1°0.1°
C28C36C35C340.1°0.1°
C28C36C35H36180.0°180.0°
C28C36C35H35179.9°180.0°
C29C30C31H30180.0°180.0°
C29C30C31C320.0°0.2°
C30C29C33C34180.0°180.0°
C29C30C31H31180.0°180.0°
C30C29C33H330.0°0.1°
C33C29C30C31180.0°179.9°
C29C33C34H33180.0°179.9°
C29C33C34C350.0°0.0°
C33C29C30H300.0°0.0°
C29C33C34H34180.0°180.0°
C30C31C32H31180.0°179.9°
C30C31C32H32179.9°179.8°
C32C31C30H30180.0°179.8°
C33C34C35H34180.0°180.0°
C33C34C35C360.1°0.1°
C33C34C35H35179.9°180.0°
C34C35C36H35180.0°179.9°
C35C34C33H33180.0°179.9°
C34C35C36H36179.9°179.9°
C36C35C34H34179.9°179.9°
H1C1H1AH1B120.1°119.9°
H17C17H17AH17B119.9°120.0°
H22C22H22AH22B120.0°120.1°
HN25N25C26H26152.3°120.0°
HN25N25C26H26A87.7°120.0°
H30C30C31H310.0°0.0°
H31C31C32H320.1°0.1°
H33C33C34H340.0°0.1°
H34C34C35H350.1°0.0°
H35C35C36H360.1°0.0°

222415

PDB entries from 2024-07-10

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