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YBH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O39C31doub1.21Å1.22Å
C31C17sing1.51Å1.51Å
C31H31sing1.08Å1.10Å
C17C12sing1.53Å1.53Å
C17N4sing1.47Å1.46Å
C17H17sing1.09Å1.12Å
C12C6sing1.51Å1.51Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.12Å
C6O38doub1.21Å1.25Å
C6O36sing1.34Å1.25Å
O36H36sing0.97Å0.95Å
N4C18sing1.35Å1.34Å
N4HN4sing0.97Å1.02Å
C18O35doub1.21Å1.22Å
C18C8sing1.51Å1.51Å
C8C28sing1.51Å1.51Å
C8C11sing1.53Å1.53Å
C8H8sing1.09Å1.12Å
C28S41sing1.79Å1.71ÅAromatic
C28C9doub1.36Å1.40ÅAromatic
S41C7sing1.78Å1.69ÅAromatic
C9C15sing1.38Å1.42ÅAromatic
C9H9sing1.08Å1.10Å
C15C7doub1.36Å1.34ÅAromatic
C15H15sing1.08Å1.10Å
C7H7sing1.08Å1.10Å
C11C25sing1.53Å1.53Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.11Å
C25C13sing1.53Å1.53Å
C25H251sing1.09Å1.12Å
C25H252sing1.09Å1.11Å
C13C14sing1.53Å1.53Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.12Å
C14N3sing1.47Å1.45Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.11Å
N3C33sing1.35Å1.34Å
N3HN3sing0.97Å1.02Å
C33O37doub1.22Å1.22Å
C33C16sing1.48Å1.50Å
C16C20doub1.40Å1.40ÅAromatic
C16C24sing1.40Å1.40ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C20H20sing1.08Å1.10Å
C21C22doub1.39Å1.40ÅAromatic
C21H21sing1.08Å1.10Å
C22C23sing1.39Å1.40ÅAromatic
C22O34sing1.36Å1.37Å
C23C24doub1.38Å1.39ÅAromatic
C23H23sing1.08Å1.10Å
C24H24sing1.08Å1.10Å
O34C26sing1.36Å1.38Å
C26C27doub1.40Å1.39ÅAromatic
C26N2sing1.32Å1.34ÅAromatic
C27N1sing1.31Å1.34ÅAromatic
C27H27sing1.08Å1.10Å
N1C29doub1.34Å1.34ÅAromatic
N2C30doub1.34Å1.34ÅAromatic
C30C29sing1.42Å1.39ÅAromatic
C30C5sing1.41Å1.39ÅAromatic
C29C10sing1.40Å1.40ÅAromatic
C10C32doub1.36Å1.39ÅAromatic
C10H10sing1.08Å1.10Å
C32C19sing1.39Å1.39ÅAromatic
C32H32sing1.08Å1.10Å
C19C5doub1.36Å1.40ÅAromatic
C19H19sing1.08Å1.10Å
C5H5sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O39C31C17120.0°120.0°
O39C31H31109.6°120.0°
C17C31H31130.4°120.0°
C31C17C12109.2°109.5°
C31C17N4112.7°109.5°
C31C17H17107.9°109.4°
C12C17N4110.7°109.5°
C12C17H17110.0°109.5°
C17C12C6111.8°109.5°
C17C12H121111.4°109.5°
C17C12H122111.4°109.5°
N4C17H17106.3°109.5°
C17N4C18123.1°120.0°
C17N4HN4123.0°120.0°
C6C12H121111.4°109.5°
C6C12H122111.4°109.5°
C12C6O38119.7°120.0°
C12C6O36117.7°120.0°
H121C12H12299.0°109.5°
O38C6O36122.6°120.0°
C6O36H36117.7°120.0°
C18N4HN4113.9°120.0°
N4C18O35123.1°120.0°
N4C18C8116.5°120.0°
O35C18C8120.4°120.0°
C18C8C28111.7°109.4°
C18C8C11110.8°109.5°
C18C8H8107.3°109.5°
C28C8C11110.5°109.5°
C28C8H8107.7°109.5°
C8C28S41123.4°129.1°
C8C28C9124.5°129.0°
C11C8H8108.7°109.5°
C8C11C25111.9°109.5°
C8C11H111111.3°109.5°
C8C11H112111.3°109.5°
S41C28C9112.1°101.9°
C28S41C791.3°98.1°
C28C9C15109.6°119.0°
C28C9H9124.5°120.5°
S41C7C15112.9°102.0°
S41C7H7133.4°129.0°
C15C9H9125.9°120.5°
C9C15C7113.6°119.0°
C9C15H15125.7°120.5°
C7C15H15120.6°120.5°
C15C7H7113.7°129.0°
C25C11H111111.3°109.5°
C25C11H112111.3°109.4°
C11C25C13111.7°109.5°
C11C25H251111.4°109.5°
C11C25H252111.4°109.4°
H111C11H11299.1°109.4°
C13C25H251111.4°109.5°
C13C25H252111.4°109.5°
C25C13C14111.2°109.5°
C25C13H131111.6°109.5°
C25C13H132111.6°109.4°
H251C25H25298.9°109.4°
C14C13H131111.6°109.5°
C14C13H132111.6°109.5°
C13C14N3112.5°109.4°
C13C14H141111.1°109.5°
C13C14H142111.1°109.5°
H131C13H13298.8°109.5°
N3C14H141111.1°109.5°
N3C14H142111.1°109.4°
C14N3C33122.8°120.0°
C14N3HN3123.0°120.0°
H141C14H14299.2°109.5°
C33N3HN3114.2°120.0°
N3C33O37121.9°120.0°
N3C33C16119.2°120.0°
O37C33C16118.9°120.0°
C33C16C20120.0°120.1°
C33C16C24120.4°120.1°
C20C16C24119.6°119.8°
C16C20C21120.3°119.9°
C16C20H20120.0°120.1°
C16C24C23120.1°119.9°
C16C24H24120.0°120.0°
C21C20H20119.7°120.0°
C20C21C22120.0°120.1°
C20C21H21119.9°120.0°
C22C21H21120.0°119.9°
C21C22C23119.7°120.2°
C21C22O34119.5°119.9°
C23C22O34120.7°120.0°
C22C23C24120.2°120.1°
C22C23H23120.0°119.9°
C22O34C26124.7°106.8°
C24C23H23119.8°119.9°
C23C24H24119.9°120.1°
O34C26C27118.8°119.7°
O34C26N2121.8°119.7°
C27C26N2119.4°120.6°
C26C27N1120.1°120.6°
C26C27H27121.8°119.7°
C26N2C30120.4°119.6°
N1C27H27118.0°119.7°
C27N1C29120.3°119.9°
N1C29C30119.8°119.6°
N1C29C10120.0°121.1°
N2C30C29119.9°119.7°
N2C30C5120.1°121.0°
C29C30C5120.0°119.3°
C30C29C10120.2°119.3°
C30C5C19119.9°119.7°
C30C5H5120.0°120.1°
C29C10C32119.8°119.8°
C29C10H10120.1°120.1°
C32C10H10120.1°120.1°
C10C32C19119.9°121.0°
C10C32H32120.1°119.5°
C19C32H32120.0°119.5°
C32C19C5120.2°120.9°
C32C19H19119.8°119.5°
C5C19H19120.0°119.5°
C19C5H5120.2°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O39C31C17H31180.0°180.0°
O39C31C17C1272.8°120.0°
O39C31C17N4163.8°0.0°
O39C31C17H1746.8°120.0°
C31C17C12N4124.6°120.0°
C31C17C12H17118.2°120.0°
C31C17N4H17118.0°120.0°
C31C17C12C6144.8°175.0°
C31C17C12H12119.6°55.0°
C31C17C12H12289.9°65.0°
C31C17N4C1891.7°84.9°
C31C17N4HN488.3°95.0°
H31C31C17C12107.2°60.0°
H31C31C17N416.2°180.0°
H31C31C17H17133.3°60.0°
C12C17N4H17119.4°120.0°
C17C12C6H121125.3°120.0°
C17C12C6H122125.3°120.0°
C17C12H121H122117.3°120.0°
C17C12C6O3813.0°0.0°
C17C12C6O36167.3°180.0°
C12C17N4C18145.7°155.0°
C12C17N4HN434.3°25.0°
N4C17C12C690.6°65.0°
N4C17C12H121144.2°175.0°
N4C17C12H12234.7°55.0°
C17N4C18HN4180.0°179.9°
C17N4C18O356.5°0.0°
C17N4C18C8173.8°180.0°
H17C17C12C626.6°55.0°
H17C17C12H12198.7°65.0°
H17C17C12H122151.9°175.0°
H17C17N4C1826.3°35.0°
H17C17N4HN4153.7°145.1°
C6C12H121H122117.3°120.0°
C12C6O38O36179.7°180.0°
C12C6O36H36180.0°180.0°
H121C12C6O38112.3°120.0°
H121C12C6O3667.5°60.0°
H122C12C6O38138.3°120.0°
H122C12C6O3642.0°60.0°
O38C6O36H360.3°0.0°
N4C18O35C8179.8°180.0°
N4C18C8C28107.9°60.0°
N4C18C8C11128.4°180.0°
N4C18C8H89.9°60.0°
HN4N4C18O35173.5°180.0°
HN4N4C18C86.2°0.1°
O35C18C8C2871.9°120.0°
O35C18C8C1151.8°0.0°
O35C18C8H8170.3°120.0°
C18C8C28C11123.8°120.0°
C18C8C28H8117.6°120.0°
C18C8C11H8117.7°120.0°
C18C8C28S4198.8°60.0°
C18C8C28C982.0°119.7°
C18C8C11C25161.7°175.0°
C18C8C11H11173.0°55.0°
C18C8C11H11236.5°65.0°
C28C8C11H8117.9°120.1°
C8C28S41C9179.3°179.8°
C8C28S41C7172.6°180.0°
C8C28C9C15172.3°179.8°
C8C28C9H97.7°0.3°
C28C8C11C2573.9°65.0°
C28C8C11H11151.3°175.0°
C28C8C11H112160.8°54.9°
C11C8C28S41137.4°60.0°
C11C8C28C941.8°120.3°
C8C11C25H111125.3°120.1°
C8C11C25H112125.3°120.0°
C8C11H111H112117.2°120.0°
C8C11C25C13166.7°180.0°
C8C11C25H25168.1°59.9°
C8C11C25H25241.4°60.0°
H8C8C28S4118.9°180.0°
H8C8C28C9160.4°0.3°
H8C8C11C2544.0°55.1°
H8C8C11H111169.3°65.0°
H8C8C11H11281.2°175.0°
S41C28C9C157.1°0.5°
S41C28C9H9172.9°179.9°
C28S41C7C154.5°0.0°
C28S41C7H7175.5°180.0°
C9C28S41C76.7°0.3°
C28C9C15H9180.0°179.4°
C28C9C15C73.8°0.6°
C28C9C15H15176.2°179.7°
S41C7C15C91.2°0.3°
S41C7C15H7180.0°180.0°
S41C7C15H15178.8°180.0°
C9C15C7H15180.0°179.7°
C9C15C7H7178.8°179.7°
H9C9C15C7176.2°180.0°
H9C9C15H153.8°0.3°
H15C15C7H71.2°0.0°
C25C11H111H112117.2°119.9°
C11C25C13H251125.3°120.1°
C11C25C13H252125.3°120.0°
C11C25H251H252117.3°119.9°
C11C25C13C14155.6°180.0°
C11C25C13H13130.3°60.0°
C11C25C13H13279.2°60.0°
H111C11C25C1341.4°59.9°
H111C11C25H251166.7°180.0°
H111C11C25H25283.9°60.1°
H112C11C25C1368.1°60.0°
H112C11C25H25157.2°60.0°
H112C11C25H252166.7°180.0°
C13C25H251H252117.3°120.0°
C25C13C14H131125.2°120.0°
C25C13C14H132125.2°119.9°
C25C13H131H132117.5°120.0°
C25C13C14N388.5°180.0°
C25C13C14H14136.8°60.0°
C25C13C14H142146.2°60.1°
H251C25C13C1479.1°59.9°
H251C25C13H131155.6°180.0°
H251C25C13H13246.1°60.0°
H252C25C13C1430.3°60.0°
H252C25C13H13195.0°60.0°
H252C25C13H132155.6°180.0°
C14C13H131H132117.5°120.1°
C13C14N3H141125.3°120.1°
C13C14N3H142125.3°120.0°
C13C14H141H142117.0°120.0°
C13C14N3C33164.3°180.0°
C13C14N3HN315.7°0.0°
H131C13C14N3146.2°60.0°
H131C13C14H14188.5°180.0°
H131C13C14H14221.0°59.9°
H132C13C14N336.7°60.1°
H132C13C14H141162.0°60.0°
H132C13C14H14288.5°180.0°
N3C14H141H142117.0°119.9°
C14N3C33HN3180.0°180.0°
C14N3C33O3726.2°0.1°
C14N3C33C16154.1°180.0°
H141C14N3C3339.1°60.0°
H141C14N3HN3140.9°120.0°
H142C14N3C3370.4°60.0°
H142C14N3HN3109.6°120.0°
N3C33O37C16179.7°179.9°
N3C33C16C20158.1°180.0°
N3C33C16C2421.8°0.2°
HN3N3C33O37153.8°180.0°
HN3N3C33C1625.9°0.0°
O37C33C16C2021.6°0.1°
O37C33C16C24158.5°179.7°
C33C16C20C24179.9°179.7°
C33C16C20C21179.9°180.0°
C33C16C20H200.0°0.0°
C33C16C24C23179.8°179.7°
C33C16C24H240.2°0.2°
C16C20C21H20180.0°180.0°
C16C20C21C220.3°0.0°
C16C20C21H21179.7°180.0°
C20C16C24C230.1°0.6°
C20C16C24H24180.0°180.0°
C24C16C20C210.1°0.3°
C24C16C20H20179.9°179.7°
C16C24C23C220.6°0.6°
C16C24C23H24180.0°179.4°
C16C24C23H23179.5°179.7°
C20C21C22H21180.0°179.9°
C20C21C22C230.8°0.0°
C20C21C22O34179.5°180.0°
H20C20C21C22179.8°180.0°
H20C20C21H210.2°0.0°
C21C22C23O34178.7°180.0°
C21C22C23C240.9°0.3°
C21C22C23H23179.1°180.0°
C21C22O34C26111.3°79.4°
H21C21C22C23179.3°180.0°
H21C21C22O340.5°0.1°
C22C23C24H23180.0°179.7°
C22C23C24H24179.5°180.0°
C23C22O34C2670.0°100.6°
O34C22C23C24179.6°179.7°
O34C22C23H230.4°0.0°
C22O34C26C27154.7°175.6°
C22O34C26N226.0°4.1°
H23C23C24H240.5°0.3°
O34C26C27N2179.3°179.7°
O34C26C27N1179.8°180.0°
O34C26C27H270.2°0.1°
O34C26N2C30179.2°179.8°
C26C27N1H27180.0°179.9°
C26C27N1C290.6°0.1°
C27C26N2C300.1°0.5°
N2C26C27N10.5°0.3°
N2C26C27H27179.5°179.8°
C26N2C30C290.5°0.5°
C26N2C30C5179.5°179.7°
C27N1C29C300.2°0.0°
C27N1C29C10179.2°179.9°
H27C27N1C29179.4°180.0°
N1C29C30N20.4°0.3°
N1C29C30C10179.4°180.0°
N1C29C30C5179.7°180.0°
N1C29C10C32179.7°180.0°
N1C29C10H100.3°0.1°
N2C30C29C5180.0°179.7°
N2C30C29C10179.8°179.7°
N2C30C5C19179.8°179.7°
N2C30C5H50.1°0.3°
C30C29C10C320.3°0.0°
C30C29C10H10179.7°180.0°
C29C30C5C190.2°0.0°
C29C30C5H5179.8°180.0°
C5C30C29C100.3°0.0°
C30C5C19C320.1°0.0°
C30C5C19H5180.0°180.0°
C30C5C19H19179.9°180.0°
C29C10C32H10180.0°180.0°
C29C10C32C190.2°0.0°
C29C10C32H32179.8°180.0°
C10C32C19H32180.0°179.9°
C10C32C19C50.1°0.0°
C10C32C19H19179.9°180.0°
H10C10C32C19179.8°179.9°
H10C10C32H320.2°0.0°
C32C19C5H19180.0°180.0°
C32C19C5H5179.9°180.0°
H32C32C19C5179.9°180.0°
H32C32C19H190.1°0.0°
H19C19C5H50.1°0.0°

222415

PDB entries from 2024-07-10

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