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YFT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.54Å
C1C6sing1.53Å1.57Å
C2N3sing1.47Å1.50Å
N3C4sing1.47Å1.51Å
N3C21sing1.35Å1.40Å
C4C5sing1.53Å1.56Å
C5C6sing1.53Å1.55Å
C6O7sing1.43Å1.39Å
C6C8sing1.53Å1.58Å
C8N9sing1.46Å1.50Å
N9C10sing1.35Å1.41Å
C10C11sing1.48Å1.52Å
C10O12doub1.22Å1.27Å
C11C13doub1.39Å1.42ÅAromatic
C11C15sing1.40Å1.40ÅAromatic
C13C17sing1.40Å1.46ÅAromatic
C14C16sing1.39Å1.37ÅAromatic
C14C15doub1.36Å1.36ÅAromatic
C16C17doub1.41Å1.47ÅAromatic
C16N20sing1.37Å1.39ÅAromatic
C17N18sing1.35Å1.42ÅAromatic
N18N19doub1.29Å1.32ÅAromatic
N19N20sing1.40Å1.38ÅAromatic
C21O23sing1.35Å1.42Å
C21O22doub1.22Å1.25Å
O23C24sing1.45Å1.41Å
C24C25sing1.51Å1.52Å
C25C26doub1.38Å1.41ÅAromatic
C25C30sing1.38Å1.40ÅAromatic
C26C27sing1.38Å1.41ÅAromatic
C27C28doub1.39Å1.43ÅAromatic
C27F31sing1.35Å1.33Å
C28C29sing1.39Å1.40ÅAromatic
C28O32sing1.36Å1.38Å
C29C30doub1.38Å1.41ÅAromatic
O32C33sing1.43Å1.40Å
C33F34sing1.40Å1.30Å
C33F35sing1.40Å1.34Å
C33F36sing1.40Å1.32Å
C13H49sing1.08Å1.08Å
C15H51sing1.08Å1.08Å
C24H53sing1.09Å1.10Å
C24H54sing1.09Å1.10Å
C26H55sing1.08Å1.08Å
C1H38sing1.09Å1.10Å
C1H37sing1.09Å1.10Å
C2H39sing1.09Å1.10Å
C2H40sing1.09Å1.10Å
C4H41sing1.09Å1.10Å
C4H42sing1.09Å1.10Å
C5H43sing1.09Å1.10Å
C5H44sing1.09Å1.10Å
O7H45sing0.97Å0.95Å
C8H47sing1.09Å1.10Å
C8H46sing1.09Å1.10Å
N9H48sing0.97Å1.00Å
C14H50sing1.08Å1.08Å
N20H52sing0.97Å1.00Å
C29H56sing1.08Å1.08Å
C30H57sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6111.1°109.3°
C1C2N3111.3°108.8°
C2C1H38109.0°109.4°
C2C1H37109.0°109.5°
C1C2H39109.0°109.6°
C1C2H40109.0°109.6°
C1C6C5106.0°109.5°
C1C6O7106.8°109.5°
C1C6C8108.6°109.5°
C6C1H38109.1°109.5°
C6C1H37109.0°109.5°
C2N3C4118.3°118.7°
C2N3C21116.6°120.6°
N3C2H39109.0°109.6°
N3C2H40109.0°109.6°
C4N3C21124.6°120.6°
N3C4C5114.3°108.8°
N3C4H41108.3°109.5°
N3C4H42108.2°109.6°
N3C21O23114.4°120.0°
N3C21O22123.4°120.0°
C4C5C6109.4°109.3°
C5C4H41108.2°109.6°
C5C4H42108.3°109.6°
C4C5H43109.5°109.5°
C4C5H44109.5°109.5°
C5C6O7109.5°109.5°
C5C6C8118.1°109.4°
C6C5H43109.5°109.5°
C6C5H44109.5°109.5°
O7C6C8107.4°109.4°
C6O7H45109.5°114.1°
C6C8N9121.2°109.5°
C6C8H47106.5°109.4°
C6C8H46106.5°109.4°
C8N9C10118.8°120.0°
N9C8H47106.5°109.5°
N9C8H46106.5°109.5°
C8N9H48120.6°120.0°
N9C10C11121.2°120.0°
N9C10O12120.3°120.0°
C10N9H48120.6°120.0°
C11C10O12118.6°120.0°
C10C11C13125.9°119.8°
C10C11C15113.2°119.9°
C13C11C15120.9°120.3°
C11C13C17114.3°119.5°
C11C13H49122.9°120.2°
C11C15C14125.3°120.5°
C11C15H51117.3°119.7°
C13C17C16121.7°119.4°
C13C17N18134.1°133.0°
C17C13H49122.8°120.2°
C16C14C15117.9°120.1°
C14C16C17120.0°120.2°
C14C16N20132.3°133.7°
C16C14H50121.0°119.9°
C14C15H51117.4°119.8°
C15C14H50121.1°119.9°
C17C16N20107.8°106.1°
C16C17N18104.3°107.6°
C16N20N19106.4°106.7°
C16N20H52126.8°126.7°
C17N18N19109.3°110.1°
N18N19N20112.2°109.5°
N19N20H52126.8°126.7°
O23C21O22122.1°120.0°
C21O23C24118.6°117.0°
O23C24C25105.1°109.5°
O23C24H53110.6°109.5°
O23C24H54110.6°109.5°
C24C25C26120.4°119.9°
C24C25C30118.8°119.9°
C25C24H53110.6°109.5°
C25C24H54110.5°109.4°
C26C25C30120.9°120.1°
C25C26C27118.2°120.0°
C25C26H55120.9°120.0°
C25C30C29121.6°120.1°
C25C30H57119.2°120.0°
C26C27C28120.2°119.9°
C26C27F31119.6°120.1°
C27C26H55120.9°120.0°
C28C27F31120.2°120.0°
C27C28C29121.3°119.9°
C27C28O32114.3°120.1°
C29C28O32124.4°120.1°
C28C29C30117.9°119.9°
C28C29H56121.0°120.1°
C28O32C33115.1°117.0°
C30C29H56121.1°120.0°
C29C30H57119.2°119.9°
O32C33F34113.1°109.5°
O32C33F35103.8°109.5°
O32C33F36116.4°109.4°
F34C33F35110.8°109.5°
F34C33F36103.3°109.5°
F35C33F36109.6°109.5°
H53C24H54109.5°109.4°
H38C1H37109.5°109.5°
H39C2H40109.4°109.6°
H41C4H42109.5°109.7°
H43C5H44109.5°109.6°
H47C8H46109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H38120.2°119.9°
C2C1C6H37120.2°120.0°
C1C2N3H39120.3°119.8°
C1C2N3H40120.3°119.8°
C1C2N3C440.8°53.6°
C1C2N3C21131.1°126.4°
C2C1C6C565.9°61.4°
C2C1C6O750.8°58.7°
C2C1C6C8166.3°178.6°
C2C1H38H37119.2°120.0°
C1C2H39H40119.1°120.3°
C6C1C2N354.2°54.6°
C1C6C5C462.0°61.4°
C1C6C5O7114.9°120.1°
C1C6C5C8121.9°120.0°
C1C6O7C8116.3°120.0°
C1C6C8N9158.2°180.0°
C6C1H38H37119.3°120.1°
C6C1C2H39174.5°174.5°
C6C1C2H4066.1°65.1°
C1C6C5H4358.0°58.5°
C1C6C5H44178.1°178.7°
C1C6O7H45180.0°180.0°
C1C6C8H4780.2°60.0°
C1C6C8H4636.6°59.9°
C2N3C4C21171.2°180.0°
C2N3C4C539.5°53.6°
C2N3C21O23157.7°180.0°
C2N3C21O2222.1°0.1°
N3C2C1H38174.5°174.6°
N3C2C1H3766.0°65.4°
N3C2H39H40119.2°120.3°
C2N3C4H41160.2°173.4°
C2N3C4H4281.2°66.2°
N3C4C5H41120.7°119.8°
N3C4C5H42120.7°119.8°
N3C4C5C649.9°54.6°
C4N3C21O2330.9°0.0°
C4N3C21O22149.2°179.9°
C4N3C2H39161.1°173.4°
C4N3C2H4079.5°66.2°
N3C4H41H42117.8°120.3°
N3C4C5H4370.1°65.3°
N3C4C5H44169.9°174.6°
C21N3C4C5131.7°126.4°
N3C21O23O22179.9°179.9°
N3C21O23C24178.5°180.0°
C21N3C2H3910.8°6.6°
C21N3C2H40108.6°113.8°
C21N3C4H4111.0°6.6°
C21N3C4H42107.6°113.8°
C4C5C6H43120.0°119.9°
C4C5C6H44120.0°119.9°
C4C5C6O752.9°58.7°
C4C5C6C8176.1°178.6°
C5C4H41H42117.8°120.4°
C4C5H43H44120.0°120.1°
C5C6O7C8129.3°119.9°
C5C6C8N937.6°59.9°
C5C6C1H38173.9°178.7°
C5C6C1H3754.3°58.5°
C6C5C4H41170.6°174.4°
C6C5C4H4270.8°65.2°
C6C5H43H44120.0°120.1°
C5C6O7H4565.6°59.9°
C5C6C8H47159.2°179.9°
C5C6C8H4684.0°60.1°
O7C6C8N986.7°60.0°
O7C6C1H3869.5°61.3°
O7C6C1H37171.0°178.6°
O7C6C5H43172.9°178.6°
O7C6C5H4467.1°61.2°
O7C6C8H4735.0°60.0°
O7C6C8H46151.7°180.0°
C6C8N9H47121.6°120.0°
C6C8N9H46121.6°120.0°
C6C8N9C1077.2°180.0°
C8C6C1H3846.0°58.7°
C8C6C1H3773.5°61.4°
C8C6C5H4363.9°61.5°
C8C6C5H4456.1°58.7°
C8C6O7H4563.7°60.0°
C6C8H47H46114.7°119.9°
C6C8N9H48102.8°0.0°
C8N9C10H48180.0°180.0°
C8N9C10C11177.7°180.0°
C8N9C10O121.0°0.3°
N9C8H47H46114.7°120.0°
N9C10C11O12178.8°179.7°
N9C10C11C136.7°179.7°
N9C10C11C15175.9°0.6°
C10N9C8H47161.2°60.0°
C10N9C8H4644.5°60.0°
C10C11C13C15177.3°179.7°
C10C11C13C17178.6°179.9°
C10C11C15C14179.4°179.9°
C10C11C13H491.4°0.1°
C10C11C15H510.6°0.0°
C11C10N9H482.3°0.0°
O12C10C11C13172.1°0.0°
O12C10C11C155.4°179.8°
O12C10N9H48178.9°179.7°
C11C13C17H49180.0°180.0°
C13C11C15C141.7°0.2°
C11C13C17C160.9°0.0°
C11C13C17N18179.5°180.0°
C13C11C15H51178.3°179.7°
C15C11C13C171.3°0.2°
C11C15C14C161.6°0.1°
C11C15C14H51180.0°179.9°
C15C11C13H49178.7°179.8°
C11C15C14H50178.4°179.7°
C13C17C16C140.9°0.3°
C13C17C16N18179.7°180.0°
C13C17C16N20179.7°180.0°
C13C17N18N19179.7°179.9°
C16C14C15H50180.0°179.6°
C14C16C17N20178.9°179.8°
C14C16C17N18179.5°179.7°
C14C16N20N19179.0°179.7°
C16C14C15H51178.4°180.0°
C14C16N20H521.0°0.2°
C15C14C16C171.1°0.3°
C15C14C16N20179.7°180.0°
C16C17N18N190.7°0.1°
C17C16N20N190.3°0.0°
C16C17C13H49179.1°180.0°
C17C16C14H50178.9°180.0°
C17C16N20H52179.7°179.9°
N20C16C17N180.6°0.0°
C16N20N19N180.1°0.0°
C16N20N19H52180.0°179.9°
N20C16C14H500.3°0.4°
C17N18N19N200.5°0.0°
N18C17C13H490.5°0.0°
N18N19N20H52179.9°179.9°
C21O23C24C25174.9°180.0°
C21O23C24H5365.8°60.0°
C21O23C24H5455.7°60.0°
O22C21O23C241.7°0.1°
O23C24C25H53119.3°120.0°
O23C24C25H54119.3°120.0°
O23C24C25C2655.5°90.0°
O23C24C25C30124.8°90.3°
O23C24H53H54122.1°120.0°
C24C25C26C30179.7°179.7°
C24C25C26C27179.1°180.0°
C24C25C30C29179.6°179.7°
C25C24H53H54122.0°119.9°
C24C25C26H550.9°0.0°
C24C25C30H570.4°0.0°
C25C26C27H55180.0°179.9°
C25C26C27C281.1°0.0°
C25C26C27F31179.6°179.9°
C26C25C30C290.0°0.5°
C26C25C24H53174.8°150.0°
C26C25C24H5463.8°30.0°
C26C25C30H57180.0°179.7°
C30C25C26C270.5°0.3°
C25C30C29C280.2°0.5°
C25C30C29H57180.0°179.7°
C30C25C24H535.5°29.8°
C30C25C24H54115.9°149.7°
C30C25C26H55179.5°179.8°
C25C30C29H56179.8°179.7°
C26C27C28F31179.2°180.0°
C26C27C28C291.3°0.0°
C26C27C28O32179.6°180.0°
C27C28C29O32178.0°180.0°
C27C28C29C300.8°0.2°
C27C28O32C33134.6°180.0°
C28C27C26H55178.9°180.0°
C27C28C29H56179.2°180.0°
F31C27C28C29179.5°180.0°
F31C27C28O321.2°0.0°
F31C27C26H550.4°0.0°
C28C29C30H56180.0°179.8°
C29C28O32C3343.5°0.0°
C28C29C30H57179.8°179.8°
O32C28C29C30178.9°179.8°
C28O32C33F34172.1°60.0°
C28O32C33F3567.8°179.9°
C28O32C33F3652.8°60.1°
O32C28C29H561.1°0.0°
O32C33F34F35116.1°120.0°
O32C33F34F36126.7°120.0°
O32C33F35F36125.0°120.0°
F34C33F35F36113.3°120.0°
H51C15C14H501.6°0.4°
H38C1C2H3965.3°65.5°
H38C1C2H4054.1°54.8°
H37C1C2H3954.3°54.5°
H37C1C2H40173.7°174.9°
H41C4C5H4350.6°54.5°
H41C4C5H4469.4°65.7°
H42C4C5H43169.3°174.9°
H42C4C5H4449.2°54.7°
H47C8N9H4818.8°120.0°
H46C8N9H48135.6°120.0°
H56C29C30H570.2°0.0°

250835

PDB entries from 2026-03-18

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