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AF4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.54Å
C1H30sing1.09Å1.10Å
C1H32sing1.09Å1.10Å
C1H31sing1.09Å1.10Å
C2C3sing1.53Å1.54Å
C2N4sing1.47Å1.47Å
C2H33sing1.09Å1.10Å
C3H34sing1.09Å1.10Å
C3H35sing1.09Å1.10Å
C3H36sing1.09Å1.10Å
N4C5sing1.47Å1.34Å
N4H37sing1.01Å1.00Å
C5N6sing1.47Å1.34Å
C5C7sing1.51Å1.49Å
C5H5sing1.09Å1.10Å
N6H38sing1.01Å1.00Å
N6H39sing1.01Å1.00Å
C7C10sing1.38Å1.39ÅAromatic
C7C8doub1.38Å1.40ÅAromatic
C10C11doub1.38Å1.38ÅAromatic
C10H42sing1.08Å1.08Å
C11C12sing1.39Å1.39ÅAromatic
C11H43sing1.08Å1.08Å
C8C9sing1.38Å1.40ÅAromatic
C8H40sing1.08Å1.08Å
C9C12doub1.39Å1.40ÅAromatic
C9H41sing1.08Å1.08Å
C12C13sing1.48Å1.44ÅAromatic
C13C15doub1.36Å1.37ÅAromatic
C13C14sing1.42Å1.42ÅAromatic
C15O16sing1.34Å1.38ÅAromatic
C15H45sing1.08Å1.08Å
O16C17sing1.35Å1.38ÅAromatic
C14C17doub1.36Å1.37ÅAromatic
C14H44sing1.08Å1.08Å
C17C18sing1.48Å1.45ÅAromatic
C18C21doub1.40Å1.40ÅAromatic
C18C19sing1.40Å1.40ÅAromatic
C21C22sing1.38Å1.39ÅAromatic
C21H48sing1.08Å1.08Å
C22C23doub1.38Å1.40ÅAromatic
C22H49sing1.08Å1.08Å
C19C20doub1.38Å1.40ÅAromatic
C19H46sing1.08Å1.08Å
C20C23sing1.38Å1.40ÅAromatic
C20H47sing1.08Å1.08Å
C23C24sing1.51Å1.49Å
C24N25sing1.47Å1.34Å
C24N26sing1.47Å1.35Å
C24H24sing1.09Å1.10Å
N25H50sing1.01Å1.00Å
N25H51sing1.01Å1.00Å
N26C27sing1.47Å1.47Å
N26H52sing1.01Å1.00Å
C27C29sing1.53Å1.54Å
C27C28sing1.53Å1.54Å
C27H53sing1.09Å1.10Å
C29H57sing1.09Å1.10Å
C29H59sing1.09Å1.10Å
C29H58sing1.09Å1.10Å
C28H54sing1.09Å1.10Å
C28H55sing1.09Å1.10Å
C28H56sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1H30109.5°109.5°
C2C1H32109.5°109.5°
C2C1H31109.4°109.5°
C1C2C3111.1°109.5°
C1C2N4108.8°109.5°
C1C2H33108.7°109.5°
H30C1H32109.5°109.5°
H30C1H31109.5°109.5°
H32C1H31109.5°109.5°
C3C2N4109.2°109.5°
C3C2H33108.3°109.4°
C2C3H34109.4°109.4°
C2C3H35109.5°109.5°
C2C3H36109.5°109.5°
N4C2H33110.7°109.5°
C2N4C5126.2°106.7°
C2N4H37104.2°106.7°
H34C3H35109.5°109.5°
H34C3H36109.5°109.4°
H35C3H36109.4°109.5°
C5N4H37104.2°106.7°
N4C5N6119.7°109.5°
N4C5C7120.7°109.5°
N4C5H584.1°109.5°
N6C5C7119.4°109.5°
N6C5H5101.6°109.4°
C5N6H38109.4°106.8°
C5N6H39109.5°106.7°
C7C5H588.0°109.4°
C5C7C10118.3°119.9°
C5C7C8123.6°119.9°
H38N6H39109.5°106.7°
C10C7C8118.1°120.3°
C7C10C11121.4°120.1°
C7C10H42119.3°119.9°
C7C8C9120.4°120.1°
C7C8H40119.8°120.0°
C11C10H42119.3°119.9°
C10C11C12120.9°119.9°
C10C11H43119.6°120.1°
C12C11H43119.6°120.1°
C11C12C9118.5°119.7°
C11C12C13119.2°120.1°
C9C8H40119.8°120.0°
C8C9C12120.6°119.9°
C8C9H41119.7°120.0°
C12C9H41119.7°120.1°
C9C12C13122.3°120.1°
C12C13C15127.5°126.7°
C12C13C14123.4°126.6°
C15C13C14108.5°106.7°
C13C15O16111.2°108.5°
C13C15H45124.4°125.8°
C13C14C17102.7°106.7°
C13C14H44128.7°126.6°
O16C15H45124.4°125.7°
C15O16C17102.4°109.7°
O16C17C14115.1°108.5°
O16C17C18123.6°125.7°
C17C14H44128.6°126.7°
C14C17C18121.1°125.8°
C17C18C21121.3°120.2°
C17C18C19120.2°120.1°
C21C18C19118.5°119.7°
C18C21C22120.8°119.9°
C18C21H48119.6°120.0°
C18C19C20120.8°119.9°
C18C19H46119.6°120.1°
C22C21H48119.6°120.1°
C21C22C23121.1°120.1°
C21C22H49119.4°119.9°
C23C22H49119.4°119.9°
C22C23C20118.0°120.3°
C22C23C24119.9°119.9°
C20C19H46119.6°120.0°
C19C20C23120.8°120.1°
C19C20H47119.6°120.0°
C23C20H47119.6°119.9°
C20C23C24122.1°119.8°
C23C24N25119.0°109.5°
C23C24N26122.2°109.5°
C23C24H2457.7°109.4°
N25C24N26118.8°109.5°
N25C24H24168.8°109.5°
C24N25H50109.5°106.7°
C24N25H51109.5°106.7°
N26C24H2465.6°109.5°
C24N26C27127.4°106.7°
C24N26H52103.9°106.7°
H50N25H51109.5°106.7°
C27N26H52103.9°106.7°
N26C27C29109.3°109.5°
N26C27C28109.6°109.5°
N26C27H53110.1°109.5°
C29C27C28111.2°109.5°
C29C27H53108.5°109.4°
C27C29H57109.4°109.5°
C27C29H59109.5°109.5°
C27C29H58109.5°109.5°
C28C27H53108.2°109.5°
C27C28H54109.4°109.5°
C27C28H55109.5°109.4°
C27C28H56109.5°109.5°
H57C29H59109.5°109.5°
H57C29H58109.5°109.4°
H59C29H58109.5°109.5°
H54C28H55109.5°109.5°
H54C28H56109.5°109.5°
H55C28H56109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1H30H32120.0°120.0°
C2C1H30H31120.0°120.0°
C2C1H32H31120.0°120.0°
C1C2C3N4120.0°120.0°
C1C2C3H33119.4°120.0°
C1C2N4H33119.4°120.0°
C1C2C3H3482.6°60.0°
C1C2C3H35157.4°180.0°
C1C2C3H3637.4°59.9°
C1C2N4C5132.3°155.0°
C1C2N4H3712.3°41.2°
H30C1H32H31120.0°120.0°
H30C1C2C3161.1°180.0°
H30C1C2N440.8°60.0°
H30C1C2H3379.8°60.0°
H32C1C2C378.9°60.0°
H32C1C2N4160.8°180.0°
H32C1C2H3340.2°60.0°
H31C1C2C341.1°60.0°
H31C1C2N479.2°60.0°
H31C1C2H33160.2°NaN°
C3C2N4H33119.1°120.0°
C2C3H34H35120.0°120.0°
C2C3H34H36120.0°120.0°
C2C3H35H36120.0°120.0°
C3C2N4C5106.3°85.0°
C3C2N4H37133.7°161.2°
N4C2C3H3437.5°60.0°
N4C2C3H3582.6°60.0°
N4C2C3H36157.5°179.9°
C2N4C5H37120.0°113.8°
C2N4C5N628.9°105.0°
C2N4C5C7155.2°135.0°
C2N4C5H571.1°15.0°
H33C2C3H34158.0°NaN°
H33C2C3H3538.0°60.0°
H33C2C3H3682.0°60.1°
H33C2N4C512.9°35.0°
H33C2N4H37107.1°78.8°
H34C3H35H36120.0°120.0°
N4C5N6C7175.9°120.0°
N4C5N6H589.8°120.0°
N4C5C7H581.9°120.0°
N4C5N6H3890.0°173.8°
N4C5N6H39150.0°60.0°
N4C5C7C10165.8°30.0°
N4C5C7C815.5°149.9°
H37N4C5N6148.9°8.8°
H37N4C5C735.2°111.2°
H37N4C5H548.9°128.8°
N6C5C7H5102.2°119.9°
C5N6H38H39120.0°113.8°
N6C5C7C1018.3°150.0°
N6C5C7C8160.4°29.9°
C7C5N6H3885.9°53.7°
C7C5N6H3934.1°60.0°
C5C7C10C8178.8°179.9°
C5C7C10C11176.6°179.7°
C5C7C10H423.4°0.1°
C5C7C8C9174.9°180.0°
C5C7C8H405.1°0.1°
H5C5N6H38179.8°66.2°
H5C5N6H3960.2°180.0°
H5C5C7C1083.9°90.1°
H5C5C7C897.4°90.0°
C7C10C11H42180.0°179.8°
C7C10C11C120.1°0.5°
C7C10C11H43179.9°179.9°
C10C7C8C93.8°0.1°
C10C7C8H40176.2°180.0°
C8C7C10C112.2°0.2°
C8C7C10H42177.8°180.0°
C7C8C9H40180.0°179.9°
C7C8C9C123.2°0.1°
C7C8C9H41176.7°180.0°
C10C11C12H43180.0°179.4°
C10C11C12C90.8°0.5°
C10C11C12C13177.3°179.7°
H42C10C11C12179.9°179.7°
H42C10C11H430.1°0.3°
C11C12C9C80.9°0.2°
C11C12C9C13178.0°179.7°
C11C12C9H41179.1°179.7°
C11C12C13C15164.0°140.3°
C11C12C13C146.7°40.0°
H43C11C12C9179.2°180.0°
H43C11C12C132.7°0.3°
C8C9C12H41180.0°180.0°
C8C9C12C13178.9°180.0°
H40C8C9C12176.7°180.0°
H40C8C9H413.3°0.0°
C9C12C13C1514.0°40.0°
C9C12C13C14175.3°139.8°
H41C9C12C131.0°0.0°
C12C13C15C14171.8°179.8°
C12C13C15O16169.7°180.0°
C12C13C15H4510.3°0.0°
C12C13C14C17171.2°179.8°
C12C13C14H448.8°0.2°
C13C15O16H45180.0°180.0°
C13C15O16C172.2°0.0°
C15C13C14C171.1°0.4°
C15C13C14H44178.9°180.0°
C14C13C15O162.2°0.2°
C14C13C15H45177.9°179.8°
C13C14C17O160.3°0.4°
C13C14C17H44180.0°179.6°
C13C14C17C18175.2°179.9°
C15O16C17C141.5°0.3°
C15O16C17C18176.3°180.0°
H45C15O16C17177.8°180.0°
O16C17C14C18174.9°179.7°
O16C17C14H44179.7°180.0°
O16C17C18C21169.6°40.1°
O16C17C18C1910.8°140.0°
C14C17C18C2115.9°140.3°
C14C17C18C19163.6°39.6°
H44C14C17C184.8°0.3°
C17C18C21C19179.5°179.9°
C17C18C21C22179.0°179.9°
C17C18C21H481.0°0.0°
C17C18C19C20177.3°179.8°
C17C18C19H462.7°0.1°
C18C21C22H48180.0°180.0°
C18C21C22C231.1°0.0°
C18C21C22H49178.9°180.0°
C21C18C19C202.2°0.2°
C21C18C19H46177.8°180.0°
C19C18C21C220.6°0.0°
C19C18C21H48179.5°180.0°
C18C19C20H46180.0°179.8°
C18C19C20C232.2°0.5°
C18C19C20H47177.8°180.0°
C21C22C23H49180.0°180.0°
C21C22C23C201.0°0.2°
C21C22C23C24177.7°180.0°
H48C21C22C23178.9°180.0°
H48C21C22H491.1°0.0°
C22C23C20C190.6°0.5°
C22C23C20C24178.7°179.8°
C22C23C20H47179.4°180.0°
C22C23C24N252.8°62.6°
C22C23C24N26177.6°57.4°
C22C23C24H24164.7°177.4°
H49C22C23C20179.0°179.8°
H49C22C23C242.3°0.0°
C19C20C23H47180.0°179.6°
C19C20C23C24179.3°179.8°
H46C19C20C23177.7°179.8°
H46C19C20H472.3°0.2°
C20C23C24N25178.5°117.1°
C20C23C24N261.1°122.8°
C20C23C24H2414.0°2.8°
H47C20C23C240.7°0.2°
C23C24N25N26179.6°120.0°
C23C24N25H2470.2°119.9°
C23C24N26H2412.0°120.0°
C23C24N25H50130.8°173.8°
C23C24N25H51109.2°60.0°
C23C24N26C27172.0°134.3°
C23C24N26H5268.0°20.5°
N25C24N26H24168.5°120.0°
C24N25H50H51120.0°113.8°
N25C24N26C278.4°105.7°
N25C24N26H52111.6°140.5°
N26C24N25H5048.8°53.8°
N26C24N25H5171.2°60.0°
C24N26C27H52120.0°113.8°
C24N26C27C2978.7°84.9°
C24N26C27C28159.2°155.1°
C24N26C27H5340.3°35.0°
H24C24N25H50159.0°66.2°
H24C24N25H5139.0°179.9°
H24C24N26C27160.1°14.4°
H24C24N26H5279.9°99.4°
N26C27C29C28121.1°120.0°
N26C27C29H53120.1°120.0°
N26C27C28H53120.1°120.0°
N26C27C29H57108.0°60.0°
N26C27C29H5912.0°60.0°
N26C27C29H58132.0°180.0°
N26C27C28H5484.7°60.0°
N26C27C28H55155.3°60.1°
N26C27C28H5635.3°180.0°
H52N26C27C29161.3°161.2°
H52N26C27C2839.2°41.2°
H52N26C27H5379.7°78.8°
C29C27C28H53119.0°120.0°
C27C29H57H59120.0°120.1°
C27C29H57H58120.0°120.0°
C27C29H59H58120.0°120.0°
C29C27C28H54154.4°60.0°
C29C27C28H5534.4°180.0°
C29C27C28H5685.6°60.1°
C28C27C29H5713.1°59.9°
C28C27C29H59133.1°180.0°
C28C27C29H58106.9°60.0°
C27C28H54H55120.0°120.0°
C27C28H54H56120.0°120.0°
C27C28H55H56120.0°119.9°
H53C27C29H57131.9°180.0°
H53C27C29H59108.1°60.0°
H53C27C29H5811.9°60.0°
H53C27C28H5435.4°180.0°
H53C27C28H5584.6°60.0°
H53C27C28H56155.4°59.9°
H57C29H59H58120.0°119.9°
H54C28H55H56120.0°120.0°

223532

PDB entries from 2024-08-07

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