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A26

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.38ÅAromatic
C1C6sing1.39Å1.38ÅAromatic
C1H11sing1.08Å1.08Å
C2C3sing1.38Å1.41ÅAromatic
C2H21sing1.08Å1.08Å
C3C4doub1.38Å1.38ÅAromatic
C3C11sing1.51Å1.50Å
C4C5sing1.38Å1.36ÅAromatic
C4H41sing1.08Å1.08Å
C5C6doub1.39Å1.42ÅAromatic
C5H51sing1.08Å1.08Å
C6N15sing1.40Å1.35Å
C11F12sing1.40Å1.18Å
C11F13sing1.40Å1.28Å
C11F14sing1.40Å1.07Å
N15C16sing1.35Å1.33Å
N15HN11sing0.97Å1.00Å
C16C17sing1.47Å1.50Å
C16O25doub1.22Å1.24Å
C17C18sing1.43Å1.44Å
C17C19doub1.36Å1.36Å
C18N26trip1.14Å1.15Å
C19O20sing1.34Å1.36Å
C19C21sing1.51Å1.51Å
O20HO20sing0.97Å0.95Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C21H213sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6121.1°119.9°
C2C1H11119.5°120.0°
C1C2C3118.8°120.1°
C1C2H21120.6°119.9°
C6C1H11119.4°120.1°
C1C6C5119.5°119.9°
C1C6N15116.7°120.1°
C3C2H21120.6°120.0°
C2C3C4119.6°120.1°
C2C3C11121.5°119.9°
C4C3C11118.9°120.0°
C3C4C5122.0°120.1°
C3C4H41119.0°119.9°
C3C11F12112.2°109.5°
C3C11F13105.4°109.5°
C3C11F14106.4°109.5°
C5C4H41119.0°120.0°
C4C5C6118.9°119.9°
C4C5H51120.6°120.1°
C6C5H51120.5°120.1°
C5C6N15123.7°120.0°
C6N15C16128.2°120.0°
C6N15HN11115.9°120.0°
F12C11F13109.6°109.4°
F12C11F14123.4°109.5°
F13C11F1497.7°109.5°
C16N15HN11115.9°120.0°
N15C16C17120.2°120.0°
N15C16O25123.8°120.0°
C17C16O25115.8°120.0°
C16C17C18114.7°120.0°
C16C17C19118.9°120.0°
C18C17C19126.3°120.0°
C17C18N26163.7°179.9°
C17C19O20120.8°120.0°
C17C19C21128.0°120.0°
O20C19C21111.0°120.0°
C19O20HO20109.5°117.0°
C19C21H211109.5°109.5°
C19C21H212109.4°109.5°
C19C21H213109.5°109.5°
H211C21H212109.5°109.4°
H211C21H213109.5°109.5°
H212C21H213109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H11180.0°179.7°
C1C2C3H21180.0°180.0°
C1C2C3C40.3°0.0°
C1C2C3C11178.5°180.0°
C2C1C6C50.6°0.1°
C2C1C6N15180.0°180.0°
C6C1C2C31.1°0.0°
C6C1C2H21178.9°180.0°
C1C6C5C40.6°0.1°
C1C6C5N15179.3°180.0°
C1C6C5H51179.3°179.9°
C1C6N15C16158.6°33.3°
C1C6N15HN1121.4°146.7°
H11C1C2C3178.9°179.7°
H11C1C2H211.1°0.3°
H11C1C6C5179.4°179.8°
H11C1C6N150.0°0.2°
C2C3C4C11178.8°180.0°
C2C3C4C51.0°0.0°
C2C3C4H41179.0°180.0°
C2C3C11F12137.7°90.0°
C2C3C11F1318.6°150.0°
C2C3C11F1484.5°30.0°
H21C2C3C4179.7°179.9°
H21C2C3C111.5°0.0°
C3C4C5H41180.0°180.0°
C3C4C5C61.5°0.1°
C3C4C5H51178.5°180.0°
C4C3C11F1241.0°90.0°
C4C3C11F13160.2°30.0°
C4C3C11F1496.8°150.0°
C11C3C4C5179.8°180.0°
C11C3C4H410.2°0.0°
C3C11F12F13116.7°120.0°
C3C11F12F14129.5°120.0°
C3C11F13F14109.4°120.0°
C4C5C6H51180.0°180.0°
C4C5C6N15178.7°179.9°
H41C4C5C6178.5°179.9°
H41C4C5H511.5°0.0°
C5C6N15C1622.1°146.7°
C5C6N15HN11157.9°33.3°
H51C5C6N151.3°0.0°
C6N15C16HN11180.0°180.0°
C6N15C16C17163.5°174.7°
C6N15C16O2510.8°5.3°
F12C11F13F14129.6°120.0°
N15C16C17O25174.8°180.0°
N15C16C17C18175.9°0.0°
N15C16C17C190.4°180.0°
HN11N15C16C1716.4°5.3°
HN11N15C16O25169.2°174.7°
C16C17C18C19175.9°180.0°
C16C17C18N26180.0°116.0°
C16C17C19O202.5°0.0°
C16C17C19C21176.9°180.0°
O25C16C17C181.1°180.0°
O25C16C17C19175.2°0.0°
C18C17C19O20178.3°180.0°
C18C17C19C217.4°0.0°
C19C17C18N264.1°64.0°
C17C19O20C21175.2°180.0°
C17C19O20HO20180.0°180.0°
C17C19C21H211180.0°0.0°
C17C19C21H21260.0°120.0°
C17C19C21H21360.0°120.0°
O20C19C21H2115.2°180.0°
O20C19C21H212125.2°60.0°
O20C19C21H213114.8°60.0°
C21C19O20HO204.7°0.0°
C19C21H211H212120.0°120.0°
C19C21H211H213120.0°120.0°
C19C21H212H213120.0°120.0°
H211C21H212H213120.0°120.0°

217705

PDB entries from 2024-03-27

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