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79M

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.51Å1.50Å
C1O19doub1.21Å1.20Å
C1O20sing1.34Å1.34Å
C2C3sing1.53Å1.52Å
C3C4sing1.53Å1.51Å
C4C5sing1.53Å1.51Å
C5C6sing1.53Å1.52Å
C6C7sing1.51Å1.49Å
C7C8doub1.31Å1.31Å
C8C9sing1.51Å1.49Å
C9C10sing1.53Å1.52Å
C10C11sing1.53Å1.52Å
C11C12sing1.53Å1.52Å
C12C13sing1.53Å1.51Å
C13C14sing1.53Å1.52Å
C14C15sing1.53Å1.51Å
C15C19sing1.53Å1.51Å
O20C21sing1.45Å1.45Å
C21C22sing1.53Å1.51Å
C22O23sing1.43Å1.43Å
C22C24sing1.53Å1.51Å
C24O25sing1.43Å1.42Å
C2H21Csing1.09Å1.10Å
C2H22Csing1.09Å1.10Å
C3H31Csing1.09Å1.10Å
C3H32Csing1.09Å1.10Å
C4H41Csing1.09Å1.10Å
C4H42Csing1.09Å1.10Å
C5H51Csing1.09Å1.10Å
C5H52Csing1.09Å1.10Å
C6H61Csing1.09Å1.10Å
C6H62Csing1.09Å1.10Å
C7H7sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
O23H23sing0.97Å0.95Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
O25H25sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1O19124.8°119.9°
C2C1O20111.5°120.0°
C1C2C3113.0°109.5°
C1C2H21C108.6°109.5°
C1C2H22C108.6°109.5°
O19C1O20123.7°120.0°
C1O20C21117.2°117.0°
C2C3C4113.1°109.5°
C3C2H21C108.5°109.5°
C3C2H22C108.6°109.4°
C2C3H31C108.6°109.5°
C2C3H32C108.5°109.4°
C3C4C5114.0°109.5°
C4C3H31C108.6°109.5°
C4C3H32C108.6°109.5°
C3C4H41C108.3°109.5°
C3C4H42C108.3°109.5°
C4C5C6113.5°109.5°
C5C4H41C108.3°109.5°
C5C4H42C108.3°109.4°
C4C5H51C108.5°109.5°
C4C5H52C108.4°109.4°
C5C6C7113.3°109.5°
C6C5H51C108.5°109.5°
C6C5H52C108.5°109.5°
C5C6H61C108.5°109.5°
C5C6H62C108.5°109.5°
C6C7C8126.1°120.0°
C7C6H61C108.5°109.5°
C7C6H62C108.5°109.4°
C6C7H7116.9°119.9°
C7C8C9126.0°120.0°
C8C7H7117.0°120.1°
C7C8H8117.0°120.0°
C8C9C10114.0°109.5°
C9C8H8117.0°120.0°
C8C9H91108.3°109.4°
C8C9H92108.3°109.5°
C9C10C11112.8°109.4°
C10C9H91108.4°109.4°
C10C9H92108.3°109.5°
C9C10H101108.7°109.4°
C9C10H102108.6°109.5°
C10C11C12113.3°109.4°
C11C10H101108.6°109.5°
C11C10H102108.7°109.5°
C10C11H111108.5°109.5°
C10C11H112108.5°109.5°
C11C12C13114.1°109.4°
C12C11H111108.5°109.5°
C12C11H112108.5°109.5°
C11C12H121108.3°109.5°
C11C12H122108.3°109.5°
C12C13C14114.4°109.5°
C13C12H121108.3°109.5°
C13C12H122108.3°109.5°
C12C13H131108.2°109.5°
C12C13H132108.2°109.5°
C13C14C15114.8°109.5°
C14C13H131108.2°109.4°
C14C13H132108.2°109.5°
C13C14H141108.1°109.5°
C13C14H142108.1°109.5°
C14C15C19112.4°109.5°
C15C14H141108.1°109.4°
C15C14H142108.1°109.5°
C14C15H151108.7°109.4°
C14C15H152108.7°109.4°
C19C15H151108.7°109.5°
C19C15H152108.7°109.5°
C15C19H191109.5°109.5°
C15C19H192109.5°109.5°
C15C19H193109.5°109.4°
O20C21C22106.1°109.5°
O20C21H211110.3°109.4°
O20C21H212110.3°109.5°
C21C22O23109.2°109.5°
C21C22C24112.7°109.5°
C22C21H211110.3°109.5°
C22C21H212110.3°109.5°
C21C22H22108.0°109.5°
O23C22C24109.8°109.5°
O23C22H22109.0°109.5°
C22O23H23109.5°114.0°
C22C24O25111.0°109.5°
C24C22H22108.0°109.4°
C22C24H241109.1°109.5°
C22C24H242109.1°109.5°
O25C24H241109.1°109.5°
O25C24H242109.1°109.4°
C24O25H25109.5°114.0°
H21CC2H22C109.5°109.4°
H31CC3H32C109.5°109.4°
H41CC4H42C109.5°109.4°
H51CC5H52C109.5°109.4°
H61CC6H62C109.5°109.4°
H91C9H92109.5°109.5°
H101C10H102109.5°109.5°
H111C11H112109.5°109.5°
H121C12H122109.5°109.4°
H131C13H132109.5°109.5°
H141C14H142109.4°109.4°
H151C15H152109.5°109.5°
H191C19H192109.5°109.5°
H191C19H193109.5°109.5°
H192C19H193109.5°109.4°
H211C21H212109.5°109.5°
H241C24H242109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1O19O20179.3°180.0°
C1C2C3H21C120.5°120.0°
C1C2C3H22C120.5°120.0°
C1C2C3C485.8°180.0°
C2C1O20C21178.2°180.0°
C1C2H21CH22C118.4°120.0°
C1C2C3H31C34.7°60.0°
C1C2C3H32C153.6°60.0°
O19C1C2C365.4°0.0°
O19C1O20C211.2°0.0°
O19C1C2H21C55.2°120.0°
O19C1C2H22C174.1°120.0°
O20C1C2C3115.3°180.0°
C1O20C21C2297.0°180.0°
O20C1C2H21C124.2°60.0°
O20C1C2H22C5.3°60.0°
C1O20C21H21122.5°60.0°
C1O20C21H212143.6°60.0°
C2C3C4H31C120.5°120.0°
C2C3C4H32C120.5°120.0°
C2C3C4C5165.3°180.0°
C3C2H21CH22C118.4°119.9°
C2C3H31CH32C118.3°119.9°
C2C3C4H41C74.1°60.0°
C2C3C4H42C44.6°60.0°
C3C4C5H41C120.7°120.0°
C3C4C5H42C120.7°120.0°
C3C4C5C6168.5°180.0°
C4C3C2H21C153.6°60.0°
C4C3C2H22C34.7°60.0°
C4C3H31CH32C118.4°120.0°
C3C4H41CH42C117.9°120.0°
C3C4C5H51C70.9°60.0°
C3C4C5H52C47.9°60.0°
C4C5C6H51C120.6°120.0°
C4C5C6H52C120.6°120.0°
C4C5C6C742.8°180.0°
C5C4C3H31C44.7°60.0°
C5C4C3H32C74.2°60.0°
C5C4H41CH42C117.9°119.9°
C4C5H51CH52C118.2°119.9°
C4C5C6H61C163.4°60.0°
C4C5C6H62C77.8°60.0°
C5C6C7H61C120.6°120.0°
C5C6C7H62C120.6°120.0°
C5C6C7C8134.4°126.3°
C6C5C4H41C47.9°60.0°
C6C5C4H42C70.8°60.0°
C6C5H51CH52C118.2°120.0°
C5C6H61CH62C118.2°120.0°
C5C6C7H745.6°53.7°
C6C7C8H7180.0°180.0°
C6C7C8C90.8°7.6°
C7C6C5H51C77.8°60.0°
C7C6C5H52C163.4°60.0°
C7C6H61CH62C118.3°119.9°
C6C7C8H8179.1°172.4°
C7C8C9H8180.0°180.0°
C7C8C9C10133.5°127.6°
C8C7C6H61C13.8°113.6°
C8C7C6H62C105.0°6.3°
C7C8C9H91105.8°112.4°
C7C8C9H9212.8°7.6°
C8C9C10H91120.7°119.9°
C8C9C10H92120.7°120.0°
C8C9C10C11165.5°180.0°
C9C8C7H7179.2°172.4°
C8C9H91H92117.9°120.0°
C8C9C10H10174.0°60.1°
C8C9C10H10245.0°60.0°
C9C10C11H101120.5°119.9°
C9C10C11H102120.5°120.0°
C9C10C11C1260.3°180.0°
C10C9C8H846.5°52.3°
C10C9H91H92117.9°120.0°
C9C10H101H102118.5°120.0°
C9C10C11H11160.3°60.1°
C9C10C11H112179.2°60.0°
C10C11C12H111120.6°120.0°
C10C11C12H112120.6°120.0°
C10C11C12C13178.9°180.0°
C11C10C9H9144.9°60.1°
C11C10C9H9273.8°60.0°
C11C10H101H102118.5°120.0°
C10C11H111H112118.3°120.0°
C10C11C12H12158.2°60.0°
C10C11C12H12260.5°60.0°
C11C12C13H121120.7°120.0°
C11C12C13H122120.7°120.0°
C11C12C13C14172.2°180.0°
C12C11C10H101179.2°60.0°
C12C11C10H10260.2°60.0°
C12C11H111H112118.3°120.0°
C11C12H121H122117.9°120.0°
C11C12C13H13167.1°60.1°
C11C12C13H13251.5°60.0°
C12C13C14H131120.7°120.0°
C12C13C14H132120.7°120.0°
C12C13C14C1566.8°180.0°
C13C12C11H11160.6°60.0°
C13C12C11H11258.3°60.1°
C13C12H121H122117.9°120.1°
C12C13H131H132117.8°120.1°
C12C13C14H141172.4°60.0°
C12C13C14H14254.0°59.9°
C13C14C15H141120.8°120.0°
C13C14C15H142120.8°120.1°
C13C14C15C19172.3°180.0°
C14C13C12H12151.5°60.0°
C14C13C12H12267.1°60.0°
C14C13H131H132117.7°119.9°
C13C14H141H142117.6°120.0°
C13C14C15H15167.2°60.0°
C13C14C15H15251.9°59.9°
C14C15C19H151120.4°120.0°
C14C15C19H152120.4°120.0°
C15C14C13H13153.9°60.0°
C15C14C13H132172.5°59.9°
C15C14H141H142117.6°120.0°
C14C15H151H152118.7°120.0°
C14C15C19H191180.0°60.0°
C14C15C19H19260.0°60.0°
C14C15C19H19360.0°180.0°
C19C15C14H14151.5°60.0°
C19C15C14H14266.9°59.9°
C19C15H151H152118.7°120.1°
C15C19H191H192120.0°120.0°
C15C19H191H193120.0°120.0°
C15C19H192H193120.0°119.9°
O20C21C22H211119.5°120.0°
O20C21C22H212119.5°120.0°
O20C21C22O2352.9°65.0°
O20C21C22C24175.2°175.0°
O20C21H211H212121.5°120.0°
O20C21C22H2265.6°55.0°
C21C22O23C24124.0°120.0°
C21C22O23H22117.8°120.0°
C21C22C24H22119.2°120.0°
C21C22C24O2562.4°175.0°
C22C21H211H212121.6°120.0°
C21C22O23H23180.0°60.0°
C21C22C24H24157.9°55.0°
C21C22C24H242177.4°65.0°
O23C22C24H22118.8°120.0°
O23C22C24O25175.6°64.9°
O23C22C21H211172.3°55.0°
O23C22C21H21266.6°175.0°
O23C22C24H24164.1°175.0°
O23C22C24H24255.4°55.0°
C22C24O25H241120.2°120.0°
C22C24O25H242120.2°120.0°
C24C22C21H21165.3°65.0°
C24C22C21H21255.7°55.0°
C24C22O23H2355.9°60.0°
C22C24H241H242119.3°120.0°
C22C24O25H25180.0°180.0°
O25C24C22H2256.9°55.0°
O25C24H241H242119.3°120.0°
H21CC2C3H31C85.8°180.0°
H21CC2C3H32C33.1°60.1°
H22CC2C3H31C155.2°60.1°
H22CC2C3H32C85.9°180.0°
H31CC3C4H41C165.4°NaN°
H31CC3C4H42C75.9°60.0°
H32CC3C4H41C46.5°60.0°
H32CC3C4H42C165.1°180.0°
H41CC4C5H51C168.4°180.0°
H41CC4C5H52C72.7°60.1°
H42CC4C5H51C49.7°60.1°
H42CC4C5H52C168.6°180.0°
H51CC5C6H61C42.8°180.0°
H51CC5C6H62C161.7°60.0°
H52CC5C6H61C76.0°60.0°
H52CC5C6H62C42.8°180.0°
H61CC6C7H7166.2°66.4°
H62CC6C7H774.9°173.7°
H7C7C8H80.8°7.6°
H8C8C9H9174.2°67.6°
H8C8C9H92167.1°172.4°
H91C9C10H101165.4°180.0°
H91C9C10H10275.6°60.0°
H92C9C10H10146.7°60.0°
H92C9C10H102165.7°180.0°
H101C10C11H11160.2°180.0°
H101C10C11H11258.7°59.9°
H102C10C11H111179.2°60.0°
H102C10C11H11260.3°180.0°
H111C11C12H121178.7°60.0°
H111C11C12H12260.1°179.9°
H112C11C12H12162.4°179.9°
H112C11C12H122179.0°60.0°
H121C12C13H131172.3°180.0°
H121C12C13H13269.2°60.0°
H122C12C13H13153.6°59.9°
H122C12C13H132172.2°NaN°
H131C13C14H14166.9°180.0°
H131C13C14H142174.7°60.0°
H132C13C14H14151.7°60.0°
H132C13C14H14266.7°180.0°
H141C14C15H151172.0°180.0°
H141C14C15H15268.9°60.0°
H142C14C15H15153.6°60.0°
H142C14C15H152172.7°180.0°
H151C15C19H19159.6°60.0°
H151C15C19H192179.6°180.0°
H151C15C19H19360.5°60.1°
H152C15C19H19159.6°180.0°
H152C15C19H19260.4°60.0°
H152C15C19H193179.6°60.0°
H191C19H192H193120.0°120.0°
H211C21C22H2253.9°175.0°
H212C21C22H22175.0°65.0°
H22C22O23H2362.2°180.0°
H22C22C24H241177.1°65.0°
H22C22C24H24263.4°175.0°
H241C24O25H2559.8°60.0°
H242C24O25H2559.8°60.0°

222415

PDB entries from 2024-07-10

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