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PX3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.38Å1.36ÅAromatic
C1C3doub1.38Å1.41ÅAromatic
C2C4doub1.38Å1.39ÅAromatic
C3C11sing1.40Å1.40ÅAromatic
C4C14sing1.38Å1.38ÅAromatic
C5C8sing1.39Å1.42ÅAromatic
C5C15doub1.38Å1.41ÅAromatic
C6C9sing1.38Å1.39ÅAromatic
C6C13doub1.38Å1.38ÅAromatic
C7C10doub1.38Å1.39ÅAromatic
C7C13sing1.38Å1.38ÅAromatic
C8C16doub1.38Å1.36ÅAromatic
C9C18doub1.39Å1.38ÅAromatic
C10C18sing1.39Å1.37ÅAromatic
C11C14doub1.40Å1.39ÅAromatic
C11C21sing1.48Å1.47Å
C12C15sing1.40Å1.41ÅAromatic
C12C17doub1.40Å1.40ÅAromatic
C12C22sing1.47Å1.52Å
C13C24sing1.51Å1.53Å
C14C26sing1.51Å1.52Å
C24N32sing1.47Å1.45Å
C15C27sing1.51Å1.50Å
C16C17sing1.39Å1.39ÅAromatic
C16O37sing1.37Å1.35Å
C17O38sing1.36Å1.37Å
C18O39sing1.36Å1.41Å
C19C20doub1.31Å1.35Å
C20C28sing1.51Å1.53Å
C21N32sing1.35Å1.34Å
C21O35doub1.22Å1.24Å
C22O34sing1.35Å1.29Å
C22O36doub1.21Å1.26Å
C23O37sing1.44Å1.45Å
C23O38sing1.44Å1.46Å
C25O39sing1.43Å1.45Å
C26N33sing1.47Å1.53Å
C27N33sing1.47Å1.54Å
C28N33sing1.47Å1.52Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
N32H32sing0.97Å1.00Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C19H191sing1.08Å1.08Å
C19H192sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C28H281sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
O34H34sing0.97Å0.95Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C25H253sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C3120.3°120.2°
C1C2C4119.9°120.2°
C2C1H1119.9°119.9°
C1C2H2120.0°119.9°
C1C3C11120.1°119.8°
C3C1H1119.8°119.9°
C1C3H3119.9°120.1°
C2C4C14120.4°120.2°
C4C2H2120.1°119.9°
C2C4H4119.8°119.9°
C3C11C14118.2°119.7°
C3C11C21118.2°120.1°
C11C3H3119.9°120.1°
C4C14C11121.1°119.9°
C4C14C26117.6°120.1°
C14C4H4119.8°119.9°
C8C5C15120.8°120.4°
C5C8C16117.8°120.4°
C8C5H5119.6°119.8°
C5C8H8121.1°119.8°
C5C15C12120.0°120.0°
C5C15C27116.8°120.0°
C15C5H5119.6°119.8°
C9C6C13123.9°120.0°
C6C9C18116.3°120.0°
C9C6H6118.1°120.0°
C6C9H9121.8°120.0°
C6C13C7117.8°120.1°
C6C13C24122.7°120.0°
C13C6H6118.1°119.9°
C10C7C13120.2°120.0°
C7C10C18120.3°120.0°
C10C7H7119.9°120.0°
C7C10H10119.9°120.0°
C7C13C24119.5°119.9°
C13C7H7119.9°120.0°
C8C16C17122.7°119.9°
C8C16O37126.1°131.5°
C16C8H8121.1°119.8°
C9C18C10121.5°119.9°
C9C18O39123.8°120.0°
C18C9H9121.8°120.1°
C10C18O39114.7°120.1°
C18C10H10119.9°120.0°
C14C11C21123.7°120.2°
C11C14C26121.3°120.1°
C11C21N32114.9°120.0°
C11C21O35125.3°120.0°
C15C12C17118.1°119.6°
C15C12C22123.7°120.2°
C12C15C27123.2°120.0°
C17C12C22118.2°120.1°
C12C17C16120.6°119.7°
C12C17O38128.8°131.6°
C12C22O34115.6°120.0°
C12C22O36118.5°120.0°
C13C24N32110.1°109.5°
C13C24H241109.3°109.5°
C13C24H242109.3°109.5°
C14C26N33114.3°109.5°
C14C26H261108.2°109.5°
C14C26H262108.3°109.5°
C24N32C21126.5°120.0°
N32C24H241109.3°109.4°
N32C24H242109.3°109.4°
C24N32H32116.8°119.9°
C15C27N33105.6°109.5°
C15C27H271110.5°109.4°
C15C27H272110.4°109.5°
C17C16O37111.2°108.6°
C16C17O38110.5°108.7°
C16O37C23104.4°105.4°
C17O38C23103.7°105.5°
C18O39C25112.7°117.0°
C19C20C28122.5°120.0°
C20C19H191120.0°120.0°
C20C19H192120.0°120.0°
C19C20H20118.8°120.0°
C20C28N33108.5°109.5°
C28C20H20118.8°120.0°
C20C28H281109.7°109.4°
C20C28H282109.7°109.4°
N32C21O35119.8°120.0°
C21N32H32116.8°120.0°
O34C22O36125.6°120.0°
C22O34H34109.5°117.0°
O37C23O38108.7°103.7°
O37C23H231109.7°110.6°
O37C23H232109.6°110.6°
O38C23H231109.6°110.6°
O38C23H232109.7°110.5°
O39C25H251109.5°109.5°
O39C25H252109.4°109.5°
O39C25H253109.5°109.5°
C26N33C27113.7°111.1°
C26N33C28107.7°111.0°
N33C26H261108.3°109.4°
N33C26H262108.2°109.5°
C27N33C28120.7°111.0°
N33C27H271110.4°109.5°
N33C27H272110.4°109.5°
N33C28H281109.7°109.5°
N33C28H282109.7°109.5°
H241C24H242109.5°109.5°
H261C26H262109.5°109.4°
H271C27H272109.5°109.4°
H191C19H192120.0°120.0°
H281C28H282109.5°109.5°
H231C23H232109.5°110.6°
H251C25H252109.5°109.5°
H251C25H253109.4°109.4°
H252C25H253109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C3H1180.0°179.6°
C1C2C4H2180.0°179.9°
C2C1C3C110.8°0.1°
C1C2C4C141.0°0.0°
C2C1C3H3179.2°180.0°
C1C2C4H4179.0°179.9°
C3C1C2C41.2°0.1°
C1C3C11H3180.0°180.0°
C1C3C11C140.3°0.0°
C1C3C11C21179.0°180.0°
C3C1C2H2178.8°180.0°
C2C4C14H4180.0°179.9°
C2C4C14C110.5°0.0°
C2C4C14C26178.8°180.0°
C4C2C1H1178.8°179.7°
C3C11C14C40.2°0.0°
C3C11C14C21179.3°179.9°
C3C11C14C26178.4°180.0°
C3C11C21N3246.4°0.0°
C3C11C21O35137.1°180.0°
C11C3C1H1179.2°179.7°
C4C14C11C26178.2°180.0°
C4C14C11C21179.1°180.0°
C4C14C26N3381.5°100.0°
C14C4C2H2179.0°180.0°
C4C14C26H26139.3°20.0°
C4C14C26H262157.8°140.0°
C8C5C15H5180.0°179.8°
C5C8C16H8180.0°179.9°
C8C5C15C120.7°0.0°
C8C5C15C27179.3°180.0°
C5C8C16C172.7°0.1°
C5C8C16O37177.4°180.0°
C15C5C8C161.0°0.1°
C5C15C12C27180.0°180.0°
C5C15C12C170.7°0.0°
C5C15C12C22176.7°180.0°
C5C15C27N33111.8°102.5°
C15C5C8H8179.0°180.0°
C5C15C27H271128.8°17.5°
C5C15C27H2727.6°137.4°
C9C6C13H6180.0°179.7°
C9C6C13C70.1°0.0°
C6C9C18H9180.0°180.0°
C6C9C18C101.4°0.1°
C9C6C13C24179.1°180.0°
C6C9C18O39179.8°180.0°
C6C13C7C100.9°0.0°
C6C13C7C24179.3°180.0°
C13C6C9C180.1°0.0°
C6C13C24N3265.3°90.0°
C13C6C9H9179.8°180.0°
C6C13C7H7179.1°180.0°
C6C13C24H24154.8°150.0°
C6C13C24H242174.6°30.0°
C10C7C13H7180.0°179.9°
C7C10C18C92.4°0.1°
C7C10C18H10180.0°180.0°
C10C7C13C24179.9°180.0°
C7C10C18O39179.0°180.0°
C13C7C10C182.1°0.0°
C7C13C24N32115.5°90.0°
C7C13C6H6179.9°179.7°
C13C7C10H10177.9°179.9°
C7C13C24H241124.4°30.0°
C7C13C24H2424.6°150.0°
C8C16C17C122.7°0.0°
C8C16C17O37179.9°180.0°
C8C16C17O38179.1°180.0°
C8C16O37C23173.3°162.8°
C16C8C5H5179.0°179.7°
C9C18C10O39178.6°179.9°
C9C18O39C2512.0°180.0°
C18C9C6H6179.9°179.7°
C9C18C10H10177.6°179.9°
C10C18O39C25169.4°0.0°
C10C18C9H9178.6°180.0°
C18C10C7H7177.9°179.9°
C14C11C21N32134.3°180.0°
C14C11C21O3542.2°0.0°
C11C14C26N33100.2°80.0°
C14C11C3H3179.7°180.0°
C11C14C4H4179.5°179.9°
C11C14C26H261139.0°160.0°
C11C14C26H26220.5°40.1°
C21C11C14C260.9°0.1°
C11C21N32C24172.3°180.0°
C11C21N32O35176.7°180.0°
C21C11C3H30.9°0.1°
C11C21N32H327.7°0.0°
C15C12C17C22177.6°180.0°
C15C12C17C160.9°0.0°
C15C12C17O38176.5°180.0°
C15C12C22O34146.3°94.7°
C15C12C22O3627.7°85.2°
C12C15C27N3368.2°77.4°
C12C15C5H5179.3°179.7°
C12C15C27H27151.2°162.6°
C12C15C27H272172.4°42.6°
C17C12C15C27179.2°179.9°
C12C17C16O38176.4°180.0°
C12C17C16O37177.4°180.0°
C17C12C22O3431.2°85.2°
C17C12C22O36154.9°94.8°
C12C17O38C23175.9°162.8°
C22C12C15C273.3°0.0°
C22C12C17C16178.5°180.0°
C22C12C17O385.8°0.1°
C12C22O34O36173.5°179.9°
C12C22O34H34173.5°180.0°
C13C24N32H241120.1°120.0°
C13C24N32H242120.1°120.0°
C13C24N32C2187.3°180.0°
C24C13C6H60.9°0.3°
C24C13C7H70.1°0.0°
C13C24H241H242119.7°120.1°
C13C24N32H3292.7°0.0°
C14C26N33H261120.7°120.1°
C14C26N33H262120.7°120.0°
C14C26N33C2767.6°170.0°
C14C26N33C28156.0°66.0°
C26C14C4H41.2°0.0°
C14C26H261H262117.8°120.0°
C24N32C21H32180.0°180.0°
C24N32C21O354.4°0.0°
N32C24H241H242119.7°119.9°
C15C27N33C26176.5°76.2°
C15C27N33H271119.4°119.9°
C15C27N33H272119.4°120.1°
C15C27N33C2846.2°159.9°
C27C15C5H50.7°0.2°
C15C27H271H272121.8°120.0°
C17C16O37C236.6°17.2°
C16C17O38C238.1°17.3°
C17C16C8H8177.3°180.0°
O37C16C17O381.0°0.0°
C16O37C23O3811.5°27.1°
O37C16C8H82.6°0.1°
C16O37C23H231131.4°145.7°
C16O37C23H232108.4°91.5°
C17O38C23O3712.1°27.1°
C17O38C23H231131.9°145.7°
C17O38C23H232107.8°91.5°
O39C18C9H90.1°0.0°
O39C18C10H101.0°0.0°
C18O39C25H251180.0°60.0°
C18O39C25H25260.0°60.0°
C18O39C25H25360.0°180.0°
C19C20C28H20180.0°180.0°
C19C20C28N33124.8°124.7°
C20C19H191H192180.0°180.0°
C19C20C28H2814.9°115.2°
C19C20C28H282115.4°4.7°
C20C28N33C2670.7°163.9°
C20C28N33C2762.1°72.1°
C20C28N33H281119.8°120.0°
C20C28N33H282119.8°120.0°
C28C20C19H1910.0°0.0°
C28C20C19H192180.0°180.0°
C20C28H281H282120.4°119.9°
C21N32C24H241152.7°60.0°
C21N32C24H24232.8°60.0°
O35C21N32H32175.6°180.0°
O36C22O34H340.0°0.0°
O37C23O38H231119.9°118.6°
O37C23O38H232119.9°118.6°
O37C23H231H232120.3°122.8°
O38C23H231H232120.4°122.8°
O39C25H251H252120.0°120.1°
O39C25H251H253120.0°120.0°
O39C25H252H253120.0°120.0°
C26N33C27C28130.3°124.0°
N33C26H261H262117.8°119.9°
C26N33C27H27164.1°43.8°
C26N33C27H27257.1°163.8°
C26N33C28H28149.1°76.1°
C26N33C28H282169.4°43.9°
C27N33C26H261171.7°70.0°
C27N33C26H26253.1°50.0°
N33C27H271H272121.8°120.0°
C27N33C28H281178.0°47.9°
C27N33C28H28257.7°168.0°
C28N33C26H26135.3°54.0°
C28N33C26H26283.3°173.9°
C28N33C27H271165.6°80.2°
C28N33C27H27273.2°39.8°
N33C28C20H2055.3°55.3°
N33C28H281H282120.5°120.1°
H1C1C2H21.2°0.4°
H1C1C3H30.8°0.3°
H2C2C4H41.0°0.0°
H5C5C8H81.0°0.2°
H6C6C9H90.1°0.3°
H7C7C10H102.1°0.1°
H241C24N32H3227.4°120.0°
H242C24N32H32147.2°120.0°
H191C19C20H20179.9°180.0°
H192C19C20H200.0°0.0°
H20C20C28H281175.1°64.8°
H20C20C28H28264.6°175.3°
H251C25H252H253120.0°119.9°

220760

PDB entries from 2024-06-05

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