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XNU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10C09doub1.40Å1.39ÅAromatic
C10C11sing1.38Å1.39ÅAromatic
C13C11doub1.39Å1.39ÅAromatic
C13C34sing1.39Å1.39ÅAromatic
C13O14sing1.36Å1.41Å
C15C16sing1.51Å1.54Å
C15O14sing1.43Å1.40Å
C21C26sing1.53Å1.43Å
C21S20sing1.81Å1.81Å
C22C23sing1.53Å1.35Å
C24C23sing1.53Å1.65Å
C24C25sing1.53Å1.46Å
C26C25sing1.53Å1.60Å
C28C29doub1.39Å1.38ÅAromatic
C28C33sing1.39Å1.39ÅAromatic
C28N27sing1.40Å1.45Å
C01C02sing1.53Å1.53Å
C02C03sing1.51Å1.53Å
C03N05sing1.35Å1.45Å
C03O04doub1.21Å1.19Å
C06C07sing1.47Å1.53Å
C06N05sing1.47Å1.45Å
C07C08trip1.17Å1.19Å
C08C09sing1.43Å1.53Å
C09C35sing1.40Å1.39ÅAromatic
C11F12sing1.35Å1.36Å
C16N17doub1.30Å1.31ÅAromatic
C16N27sing1.37Å1.35ÅAromatic
C19N18doub1.31Å1.31ÅAromatic
C19N27sing1.37Å1.35ÅAromatic
C19S20sing1.76Å1.83Å
C29N30sing1.32Å1.32ÅAromatic
C31C32sing1.38Å1.39ÅAromatic
C31N30doub1.32Å1.32ÅAromatic
C32C33doub1.39Å1.39ÅAromatic
C34C35doub1.38Å1.39ÅAromatic
C35F36sing1.35Å1.36Å
N17N18sing1.29Å1.34ÅAromatic
C10H1sing1.08Å1.08Å
C15H2sing1.09Å1.10Å
C15H3sing1.09Å1.10Å
C21H4sing1.09Å1.10Å
C21H5sing1.09Å1.10Å
C22H6sing1.09Å1.10Å
C22H7sing1.09Å1.10Å
C22H8sing1.09Å1.10Å
C24H9sing1.09Å1.10Å
C24H10sing1.09Å1.10Å
C26H11sing1.09Å1.10Å
C26H12sing1.09Å1.10Å
C01H13sing1.09Å1.10Å
C01H14sing1.09Å1.10Å
C01H15sing1.09Å1.10Å
C02H16sing1.09Å1.10Å
C02H17sing1.09Å1.10Å
C06H18sing1.09Å1.10Å
C06H19sing1.09Å1.10Å
C23H20sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
C25H22sing1.09Å1.10Å
C25H23sing1.09Å1.10Å
C29H24sing1.08Å1.08Å
C31H25sing1.08Å1.08Å
C32H26sing1.08Å1.08Å
C33H27sing1.08Å1.08Å
C34H28sing1.08Å1.08Å
N05H29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C09C10C11120.2°119.9°
C10C09C08119.6°120.1°
C10C09C35119.9°119.8°
C09C10H1119.9°120.0°
C10C11C13120.0°120.1°
C10C11F12119.4°119.9°
C11C10H1119.9°120.0°
C11C13C34119.7°120.1°
C11C13O14120.4°120.0°
C13C11F12120.5°119.9°
C34C13O14119.8°119.9°
C13C34C35120.2°120.1°
C13C34H28119.9°119.9°
C13O14C15113.4°117.0°
C16C15O14110.4°109.4°
C15C16N17125.2°126.3°
C15C16N27126.9°126.4°
C16C15H2109.2°109.5°
C16C15H3109.2°109.4°
O14C15H2109.2°109.5°
O14C15H3109.3°109.5°
C26C21S20107.9°109.5°
C21C26C25117.2°109.5°
C26C21H4109.8°109.4°
C26C21H5109.8°109.5°
C21C26H11107.5°109.5°
C21C26H12107.5°109.4°
C21S20C19110.2°100.0°
S20C21H4109.9°109.5°
S20C21H5109.9°109.5°
C22C23C24113.0°109.5°
C23C22H6109.5°109.4°
C23C22H7109.5°109.5°
C23C22H8109.4°109.5°
C22C23H20108.6°109.5°
C22C23H21108.6°109.5°
C23C24C25110.6°109.5°
C23C24H9109.2°109.5°
C23C24H10109.2°109.5°
C24C23H20108.6°109.5°
C24C23H21108.6°109.5°
C24C25C26115.4°109.5°
C25C24H9109.2°109.5°
C25C24H10109.2°109.5°
C24C25H22108.0°109.5°
C24C25H23108.0°109.5°
C25C26H11107.5°109.5°
C25C26H12107.5°109.5°
C26C25H22108.0°109.4°
C26C25H23108.0°109.5°
C29C28C33119.3°119.1°
C29C28N27120.0°120.4°
C28C29N30120.6°120.7°
C28C29H24119.7°119.7°
C33C28N27120.6°120.5°
C28C33C32118.5°118.3°
C28C33H27120.8°120.8°
C28N27C16127.5°127.2°
C28N27C19125.5°127.1°
C01C02C03112.3°109.5°
C02C01H13109.5°109.5°
C02C01H14109.5°109.5°
C02C01H15109.5°109.5°
C01C02H16108.8°109.5°
C01C02H17108.8°109.5°
C02C03N05120.1°120.0°
C02C03O04119.9°120.0°
C03C02H16108.7°109.5°
C03C02H17108.7°109.4°
N05C03O04120.0°120.0°
C03N05C06119.9°120.0°
C03N05H29120.1°120.0°
C07C06N05110.7°109.5°
C06C07C08179.2°179.9°
C07C06H18109.2°109.6°
C07C06H19109.2°109.5°
N05C06H18109.2°109.4°
N05C06H19109.2°109.4°
C06N05H29120.1°119.9°
C07C08C09179.3°180.0°
C08C09C35120.6°120.1°
C09C35C34120.0°119.9°
C09C35F36120.0°120.1°
N17C16N27107.9°107.3°
C16N17N18108.5°110.1°
C16N27C19107.0°105.7°
N18C19N27108.4°107.0°
N18C19S20126.1°126.5°
C19N18N17108.2°109.9°
N27C19S20125.5°126.5°
C29N30C31121.6°121.8°
N30C29H24119.7°119.6°
C32C31N30121.2°120.9°
C31C32C33118.8°119.2°
C32C31H25119.4°119.5°
C31C32H26120.6°120.4°
N30C31H25119.4°119.5°
C33C32H26120.6°120.4°
C32C33H27120.8°120.8°
C34C35F36120.0°120.1°
C35C34H28119.9°119.9°
H2C15H3109.5°109.6°
H4C21H5109.5°109.5°
H6C22H7109.5°109.5°
H6C22H8109.5°109.5°
H7C22H8109.5°109.4°
H9C24H10109.4°109.4°
H11C26H12109.5°109.4°
H13C01H14109.5°109.5°
H13C01H15109.4°109.5°
H14C01H15109.5°109.5°
H16C02H17109.5°109.4°
H18C06H19109.4°109.5°
H20C23H21109.5°109.4°
H22C25H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C09C10C11H1180.0°179.8°
C09C10C11C130.2°0.1°
C10C09C08C0715.1°15.2°
C10C09C08C35180.0°179.9°
C09C10C11F12179.9°180.0°
C10C09C35C340.0°0.0°
C10C09C35F36180.0°180.0°
C10C11C13F12179.9°179.9°
C10C11C13C340.2°0.1°
C10C11C13O14179.9°180.0°
C11C10C09C08179.9°180.0°
C11C10C09C350.1°0.0°
C11C13C34O14179.9°180.0°
C11C13O14C15162.8°180.0°
C11C13C34C350.1°0.0°
C13C11C10H1179.8°179.7°
C11C13C34H28179.9°180.0°
C34C13O14C1517.0°0.0°
C13C34C35C090.0°0.0°
C34C13C11F12179.9°180.0°
C13C34C35H28180.0°180.0°
C13C34C35F36179.9°180.0°
C13O14C15C16166.9°180.0°
O14C13C11F120.0°0.0°
O14C13C34C35180.0°180.0°
C13O14C15H272.9°60.0°
C13O14C15H346.8°60.1°
O14C13C34H280.0°0.0°
C16C15O14H2120.1°120.0°
C16C15O14H3120.1°119.9°
C15C16N27C280.5°0.0°
C15C16N17N27179.4°179.7°
C15C16N27C19179.6°180.0°
C15C16N17N18179.7°179.9°
C16C15H2H3119.5°120.0°
O14C15C16N17116.8°90.1°
O14C15C16N2763.9°90.3°
O14C15H2H3119.6°120.0°
C26C21S20H4119.7°120.0°
C26C21S20H5119.7°120.0°
C21C26C25C2415.6°180.0°
C21C26C25H11121.1°120.1°
C21C26C25H12121.1°120.0°
C26C21S20C19155.4°180.0°
C26C21H4H5120.7°120.0°
C21C26H11H12116.5°120.0°
C21C26C25H22105.3°60.0°
C21C26C25H23136.5°60.0°
S20C21C26C2581.6°180.0°
C21S20C19N1818.9°0.0°
C21S20C19N27161.0°179.7°
S20C21H4H5120.7°120.0°
S20C21C26H11157.3°60.0°
S20C21C26H1239.5°60.0°
C22C23C24H20120.5°120.0°
C22C23C24H21120.5°120.0°
C22C23C24C2564.1°180.0°
C23C22H6H7120.0°120.0°
C23C22H6H8120.0°120.0°
C23C22H7H8120.0°120.0°
C22C23C24H956.1°60.0°
C22C23C24H10175.8°60.0°
C22C23H20H21118.4°120.0°
C23C24C25H9120.2°120.0°
C23C24C25H10120.2°120.0°
C23C24C25C2633.0°180.0°
C24C23C22H6180.0°60.0°
C24C23C22H760.0°180.0°
C24C23C22H860.0°60.0°
C23C24H9H10119.5°120.0°
C24C23H20H21118.4°120.0°
C23C24C25H22153.9°60.0°
C23C24C25H2387.8°60.0°
C24C25C26H22120.9°120.0°
C24C25C26H23120.9°120.0°
C25C24H9H10119.4°120.0°
C24C25C26H11105.5°60.0°
C24C25C26H12136.7°60.0°
C25C24C23H20175.4°60.0°
C25C24C23H2156.5°60.0°
C24C25H22H23117.3°120.0°
C25C26C21H4158.6°60.0°
C25C26C21H538.2°60.0°
C26C25C24H987.2°60.0°
C26C25C24H10153.2°60.0°
C25C26H11H12116.5°120.0°
C26C25H22H23117.3°120.0°
C29C28C33N27179.4°179.7°
C29C28N27C16125.1°65.0°
C29C28N27C1955.1°114.9°
C28C29N30H24180.0°179.9°
C28C29N30C310.3°0.0°
C29C28C33C320.5°0.0°
C29C28C33H27179.5°180.0°
C33C28N27C1655.5°115.2°
C33C28N27C19124.3°64.8°
C33C28C29N300.4°0.0°
C28C33C32C310.5°0.0°
C28C33C32H27180.0°179.9°
C33C28C29H24179.6°179.9°
C28C33C32H26179.5°180.0°
C28N27C16N17179.9°179.7°
C28N27C16C19179.9°180.0°
C28N27C19N18180.0°179.7°
C28N27C19S200.0°0.1°
N27C28C29N30179.8°179.8°
N27C28C33C32179.9°179.7°
N27C28C29H240.2°0.3°
N27C28C33H270.1°0.2°
C01C02C03H16120.4°120.1°
C01C02C03H17120.4°120.0°
C01C02C03N0513.6°180.0°
C01C02C03O04166.6°0.0°
C02C01H13H14120.0°120.0°
C02C01H13H15120.0°120.0°
C02C01H14H15120.0°120.0°
C01C02H16H17118.8°120.1°
C02C03N05O04179.8°180.0°
C02C03N05C06180.0°180.0°
C03C02C01H13180.0°60.0°
C03C02C01H1460.0°180.0°
C03C02C01H1560.0°60.0°
C03C02H16H17118.7°119.9°
C02C03N05H290.0°0.1°
C03N05C06C07167.1°179.9°
C03N05C06H29180.0°179.9°
N05C03C02H16106.8°59.9°
N05C03C02H17134.1°60.0°
C03N05C06H1872.7°60.0°
C03N05C06H1946.9°60.0°
O04C03N05C060.2°0.0°
O04C03C02H1673.0°120.1°
O04C03C02H1746.1°120.0°
O04C03N05H29179.8°179.9°
C07C06N05H18120.2°120.1°
C07C06N05H19120.2°120.0°
C06C07C08C0954.0°63.9°
C07C06H18H19119.4°120.1°
C07C06N05H2912.9°0.0°
N05C06C07C08107.3°101.0°
N05C06H18H19119.5°119.9°
C07C08C09C35164.9°164.9°
C08C07C06H18132.5°19.0°
C08C07C06H1912.9°139.1°
C08C09C35C34180.0°179.9°
C08C09C35F360.1°0.0°
C08C09C10H10.1°0.2°
C09C35C34F36180.0°180.0°
C35C09C10H1179.9°179.7°
C09C35C34H28180.0°180.0°
F12C11C10H10.1°0.2°
C16N17N18C190.2°0.1°
N17C16N27C190.3°0.4°
N17C16C15H23.3°149.9°
N17C16C15H3123.0°29.9°
C16N27C19N180.1°0.3°
C16N27C19S20179.8°179.9°
N27C16N17N180.3°0.3°
N27C16C15H2176.0°29.7°
N27C16C15H356.3°149.7°
N18C19N27S20180.0°179.8°
N27C19N18N170.1°0.2°
S20C19N18N17180.0°180.0°
C19S20C21H435.7°60.0°
C19S20C21H584.8°60.0°
C29N30C31C320.2°0.0°
C29N30C31H25179.8°180.0°
C32C31N30H25180.0°180.0°
C31C32C33H26180.0°180.0°
C31C32C33H27179.6°180.0°
N30C31C32C330.3°0.0°
C31N30C29H24179.7°179.9°
N30C31C32H26179.6°180.0°
C33C32C31H25179.7°180.0°
F36C35C34H280.1°0.0°
H4C21C26H1137.5°60.0°
H4C21C26H1280.3°180.0°
H5C21C26H1183.0°180.0°
H5C21C26H12159.2°60.0°
H6C22H7H8120.0°120.0°
H6C22C23H2059.5°179.9°
H6C22C23H2159.4°60.0°
H7C22C23H2060.5°59.9°
H7C22C23H21179.4°60.0°
H8C22C23H20179.5°60.1°
H8C22C23H2160.6°180.0°
H9C24C23H2064.4°180.0°
H9C24C23H21176.7°60.0°
H9C24C25H2233.7°180.0°
H9C24C25H23152.0°60.0°
H10C24C23H2055.3°60.1°
H10C24C23H2163.7°180.0°
H10C24C25H2285.9°60.0°
H10C24C25H2332.4°180.0°
H11C26C25H22133.6°60.1°
H11C26C25H2315.3°180.0°
H12C26C25H2215.8°180.0°
H12C26C25H23102.4°60.0°
H13C01H14H15119.9°120.0°
H13C01C02H1659.6°180.0°
H13C01C02H1759.6°60.0°
H14C01C02H1660.4°60.0°
H14C01C02H17179.6°60.0°
H15C01C02H16179.6°60.0°
H15C01C02H1760.4°180.0°
H18C06N05H29107.3°120.1°
H19C06N05H29133.1°120.0°
H25C31C32H260.4°0.0°
H26C32C33H270.5°0.1°

227111

PDB entries from 2024-11-06

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