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SummaryGeometryRelated PDB entries

XI3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O01C02doub1.21Å1.21Å
C02C14sing1.51Å1.58Å
C02N03sing1.35Å1.45Å
C14C36sing1.53Å1.51Å
C14C15sing1.53Å1.56Å
C36C35sing1.53Å1.54Å
N03C04sing1.46Å1.49Å
C04C05sing1.51Å1.58Å
C15N16sing1.47Å1.47Å
C06C05doub1.39Å1.41ÅAromatic
C06C07sing1.37Å1.40ÅAromatic
C35C34sing1.53Å1.56Å
C05C13sing1.36Å1.41ÅAromatic
N16C34sing1.47Å1.49Å
N16C17sing1.38Å1.47Å
N18C17doub1.33Å1.35ÅAromatic
N18C19sing1.32Å1.42ÅAromatic
C07C08doub1.40Å1.40ÅAromatic
C17C33sing1.46Å1.47ÅAromatic
C13C12doub1.41Å1.42ÅAromatic
C19N20doub1.31Å1.34ÅAromatic
C08C12sing1.40Å1.43ÅAromatic
C08S09sing1.76Å1.74ÅAromatic
C12C11sing1.45Å1.48ÅAromatic
C33C32doub1.38Å1.42ÅAromatic
C33C21sing1.47Å1.45ÅAromatic
N20C21sing1.35Å1.40ÅAromatic
C32N23sing1.34Å1.39ÅAromatic
C21N22doub1.31Å1.39ÅAromatic
S09C10sing1.75Å1.74ÅAromatic
C11C10doub1.32Å1.35ÅAromatic
N23N22sing1.40Å1.39ÅAromatic
N23C24sing1.40Å1.51Å
C31C24doub1.39Å1.42ÅAromatic
C31C30sing1.38Å1.41ÅAromatic
C24C25sing1.39Å1.40ÅAromatic
C30C28doub1.38Å1.40ÅAromatic
C25C26doub1.38Å1.43ÅAromatic
C28C26sing1.38Å1.44ÅAromatic
C28C29sing1.51Å1.51Å
C26F27sing1.35Å1.31Å
C04H1sing1.09Å1.10Å
C04H2sing1.09Å1.10Å
C06H3sing1.08Å1.08Å
C07H4sing1.08Å1.08Å
C10H5sing1.08Å1.08Å
C11H6sing1.08Å1.08Å
C13H7sing1.08Å1.08Å
C14H8sing1.09Å1.10Å
C15H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C19H11sing1.08Å1.08Å
C25H12sing1.08Å1.08Å
C29H13sing1.09Å1.10Å
C29H14sing1.09Å1.10Å
C29H15sing1.09Å1.10Å
C30H16sing1.08Å1.08Å
C31H17sing1.08Å1.08Å
C32H18sing1.08Å1.08Å
C34H19sing1.09Å1.10Å
C34H20sing1.09Å1.10Å
C35H21sing1.09Å1.10Å
C35H22sing1.09Å1.10Å
C36H23sing1.09Å1.10Å
C36H24sing1.09Å1.10Å
N03H25sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O01C02C14117.4°120.0°
O01C02N03119.8°120.0°
C14C02N03122.8°120.0°
C02C14C36113.5°109.5°
C02C14C15110.8°109.5°
C02C14H8107.4°109.5°
C02N03C04126.7°120.0°
C02N03H25116.6°120.0°
C36C14C15109.1°109.3°
C14C36C35109.8°109.2°
C36C14H8108.2°109.5°
C14C36H23109.4°109.5°
C14C36H24109.4°109.5°
C14C15N16109.0°109.5°
C15C14H8107.6°109.6°
C14C15H9109.6°109.5°
C14C15H10109.6°109.4°
C36C35C34115.0°109.3°
C36C35H21108.1°109.5°
C36C35H22108.1°109.5°
C35C36H23109.4°109.5°
C35C36H24109.4°109.5°
N03C04C05116.1°109.5°
N03C04H1107.8°109.5°
N03C04H2107.8°109.5°
C04N03H25116.6°120.0°
C04C05C06120.5°119.7°
C04C05C13124.1°119.7°
C05C04H1107.8°109.5°
C05C04H2107.8°109.5°
C15N16C34110.1°111.2°
C15N16C17128.2°111.0°
N16C15H9109.6°109.5°
N16C15H10109.6°109.4°
C05C06C07122.5°120.2°
C06C05C13115.4°120.5°
C05C06H3118.7°119.8°
C06C07C08120.7°120.2°
C07C06H3118.7°119.9°
C06C07H4119.7°120.0°
C35C34N16113.3°109.5°
C35C34H19108.5°109.4°
C35C34H20108.5°109.5°
C34C35H21108.0°109.5°
C34C35H22108.1°109.5°
C05C13C12124.3°120.5°
C05C13H7117.9°119.8°
C34N16C17121.6°111.0°
N16C34H19108.5°109.5°
N16C34H20108.5°109.5°
N16C17N18121.2°121.3°
N16C17C33120.6°121.3°
C17N18C19118.7°122.1°
N18C17C33118.2°117.4°
N18C19N20127.8°124.5°
N18C19H11116.1°117.7°
C07C08C12119.4°119.7°
C07C08S09130.5°130.6°
C08C07H4119.7°119.9°
C17C33C32137.6°136.1°
C17C33C21119.0°117.3°
C13C12C08117.7°118.8°
C13C12C11132.2°129.4°
C12C13H7117.9°119.7°
C19N20C21115.2°121.0°
N20C19H11116.1°117.7°
C12C08S09110.1°109.7°
C08C12C11110.1°111.8°
C08S09C1094.0°92.2°
C12C11C10115.2°114.9°
C12C11H6122.4°122.5°
C32C33C21103.4°106.7°
C33C32N23110.2°107.7°
C33C32H18124.9°126.1°
C33C21N20121.0°117.6°
C33C21N22110.5°106.6°
N20C21N22128.4°135.7°
C32N23N22109.1°109.9°
C32N23C24127.4°125.0°
N23C32H18124.9°126.2°
C21N22N23106.8°109.1°
S09C10C11110.6°111.4°
S09C10H5124.7°124.3°
C11C10H5124.7°124.3°
C10C11H6122.4°122.6°
N22N23C24123.5°125.1°
N23C24C31123.7°120.1°
N23C24C25122.0°120.0°
C24C31C30122.0°120.0°
C31C24C25114.3°119.9°
C24C31H17119.0°120.0°
C31C30C28123.7°120.1°
C31C30H16118.2°119.9°
C30C31H17119.0°120.0°
C24C25C26125.1°119.9°
C24C25H12117.5°120.1°
C30C28C26115.5°120.1°
C30C28C29125.2°119.9°
C28C30H16118.2°120.0°
C25C26C28119.5°120.0°
C25C26F27120.1°120.0°
C26C25H12117.5°120.0°
C26C28C29119.3°120.0°
C28C26F27120.4°120.0°
C28C29H13109.5°109.4°
C28C29H14109.5°109.5°
C28C29H15109.5°109.5°
H1C04H2109.5°109.5°
H9C15H10109.5°109.4°
H13C29H14109.5°109.5°
H13C29H15109.4°109.5°
H14C29H15109.4°109.5°
H19C34H20109.5°109.5°
H21C35H22109.4°109.5°
H23C36H24109.4°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O01C02C14N03178.9°179.7°
O01C02C14C36159.6°120.3°
O01C02C14C1577.2°0.5°
O01C02N03C040.3°0.3°
O01C02C14H840.0°119.7°
O01C02N03H25179.7°179.7°
C02C14C36C15124.1°120.0°
C02C14C36H8119.1°120.1°
C02C14C15H8117.1°120.2°
C02C14C36C3568.2°177.6°
C14C02N03C04179.1°180.0°
C02C14C15N1658.0°179.1°
C02C14C15H961.9°59.0°
C02C14C15H10177.9°60.9°
C02C14C36H23171.8°62.5°
C02C14C36H2451.9°57.7°
C14C02N03H250.9°0.1°
N03C02C14C3621.6°60.0°
N03C02C14C15101.6°179.8°
C02N03C04H25180.0°179.9°
C02N03C04C0589.2°180.0°
C02N03C04H1149.8°60.0°
C02N03C04H231.8°60.0°
N03C02C14H8141.2°60.0°
C36C14C15H8117.2°119.9°
C14C36C35H23120.1°119.9°
C14C36C35H24120.1°119.9°
C36C14C15N1667.7°59.2°
C14C36C35C3444.9°57.6°
C36C14C15H9172.4°60.9°
C36C14C15H1052.2°179.2°
C14C36C35H21165.7°177.6°
C14C36C35H2275.9°62.3°
C14C36H23H24119.8°120.1°
C15C14C36C3556.0°57.6°
C14C15N16H9119.9°120.1°
C14C15N16H10119.9°120.0°
C14C15N16C3464.1°61.8°
C14C15N16C17113.3°174.1°
C14C15H9H10120.2°120.0°
C15C14C36H2364.1°177.5°
C15C14C36H24176.0°62.3°
C36C35C34H21120.8°120.0°
C36C35C34H22120.8°120.0°
C36C35C34N1642.6°59.2°
C35C36C14H8172.7°62.4°
C36C35C34H1978.0°179.2°
C36C35C34H20163.1°60.8°
C36C35H21H22117.5°120.1°
C35C36H23H24119.8°120.2°
N03C04C05H1121.0°120.0°
N03C04C05H2121.0°120.0°
N03C04C05C0674.7°89.8°
N03C04C05C13104.2°90.0°
N03C04H1H2117.0°120.0°
C04C05C06C13178.9°179.8°
C04C05C06C07179.8°180.0°
C04C05C13C12179.6°179.7°
C05C04H1H2117.0°120.0°
C04C05C06H30.2°0.0°
C04C05C13H70.4°0.0°
C05C04N03H2590.8°0.0°
C15N16C34C3551.7°61.8°
C15N16C34C17177.6°124.1°
C15N16C17N1819.2°0.3°
C15N16C17C33159.7°180.0°
N16C15C14H8175.1°60.7°
N16C15H9H10120.2°119.9°
C15N16C34H1968.8°178.3°
C15N16C34H20172.3°58.3°
C05C06C07H3180.0°180.0°
C05C06C07C080.7°0.0°
C06C05C13C120.7°0.5°
C06C05C04H1164.4°30.3°
C06C05C04H246.3°150.2°
C05C06C07H4179.3°180.0°
C06C05C13H7179.2°179.7°
C07C06C05C130.9°0.3°
C06C07C08H4180.0°180.0°
C06C07C08C120.2°0.0°
C06C07C08S09179.8°180.0°
C35C34N16H19120.6°119.9°
C35C34N16H20120.6°120.0°
C35C34N16C17125.9°174.2°
C35C34H19H20118.3°120.0°
C34C35H21H22117.4°120.1°
C34C35C36H2375.2°177.5°
C34C35C36H24165.0°62.2°
C05C13C12H7180.0°179.8°
C05C13C12C080.3°0.5°
C05C13C12C11179.6°179.8°
C13C05C04H116.8°150.0°
C13C05C04H2134.9°30.0°
C13C05C06H3179.1°179.7°
C34N16C17N18163.6°124.5°
C34N16C17C3317.4°55.8°
C34N16C15H9176.0°58.3°
C34N16C15H1055.8°178.2°
N16C34H19H20118.3°120.0°
N16C34C35H21163.4°179.1°
N16C34C35H2278.3°60.8°
N16C17N18C33179.0°179.7°
N16C17N18C19179.8°179.7°
N16C17C33C320.8°0.0°
N16C17C33C21179.8°180.0°
C17N16C15H96.6°65.8°
C17N16C15H10126.8°54.2°
C17N16C34H19113.5°54.2°
C17N16C34H205.3°65.8°
C17N18C19N200.3°0.0°
N18C17C33C32179.7°179.7°
N18C17C33C210.8°0.3°
C17N18C19H11179.7°179.8°
C19N18C17C330.8°0.0°
N18C19N20H11180.0°179.8°
N18C19N20C210.2°0.3°
C07C08C12C130.0°0.2°
C07C08C12S09180.0°180.0°
C07C08C12C11179.9°180.0°
C07C08S09C10179.9°180.0°
C08C07C06H3179.4°180.0°
C17C33C32C21179.5°180.0°
C17C33C21N200.4°0.5°
C17C33C32N23179.7°180.0°
C17C33C21N22179.7°180.0°
C17C33C32H180.4°0.1°
C13C12C08C11180.0°179.8°
C13C12C08S09179.9°179.8°
C13C12C11C10180.0°179.7°
C13C12C11H60.0°0.3°
C19N20C21C330.1°0.5°
C19N20C21N22179.9°179.8°
C12C08S09C100.1°0.0°
C08C12C11C100.0°0.0°
C12C08C07H4179.8°180.0°
C08C12C11H6180.0°180.0°
C08C12C13H7179.7°179.7°
S09C08C12C110.1°0.0°
C08S09C10C110.1°0.0°
S09C08C07H40.3°0.0°
C08S09C10H5179.9°179.9°
C12C11C10S090.1°0.0°
C12C11C10H6180.0°180.0°
C12C11C10H5179.9°179.9°
C11C12C13H70.4°0.0°
C32C33C21N20180.0°179.5°
C33C32N23H18180.0°179.9°
C32C33C21N220.0°0.0°
C33C32N23N220.2°0.0°
C33C32N23C24179.5°179.9°
C33C21N20N22180.0°179.3°
C21C33C32N230.2°0.0°
C33C21N22N230.1°0.0°
C21C33C32H18179.9°180.0°
N20C21N22N23179.9°179.3°
C21N20C19H11179.9°179.9°
C32N23N22C210.2°0.0°
C32N23N22C24179.3°179.9°
C32N23C24C3135.6°0.2°
C32N23C24C25143.5°180.0°
C21N22N23C24179.5°179.9°
S09C10C11H5180.0°179.9°
S09C10C11H6179.9°180.0°
N22N23C24C31145.3°179.7°
N22N23C24C2535.7°0.1°
N22N23C32H18179.8°180.0°
N23C24C31C25179.1°179.8°
N23C24C31C30179.6°179.8°
N23C24C25C26179.6°179.7°
N23C24C25H120.5°0.2°
N23C24C31H170.4°0.3°
C24N23C32H180.5°0.1°
C24C31C30H17180.0°180.0°
C24C31C30C280.3°0.0°
C31C24C25C260.4°0.1°
C31C24C25H12179.6°180.0°
C24C31C30H16179.7°180.0°
C30C31C24C250.5°0.0°
C31C30C28H16180.0°180.0°
C31C30C28C260.0°0.0°
C31C30C28C29179.9°180.0°
C24C25C26H12180.0°180.0°
C24C25C26C280.2°0.1°
C24C25C26F27179.8°180.0°
C25C24C31H17179.5°180.0°
C30C28C26C250.0°0.1°
C30C28C26C29180.0°180.0°
C30C28C26F27180.0°180.0°
C30C28C29H1390.0°90.0°
C30C28C29H14150.0°30.0°
C30C28C29H1530.0°150.0°
C28C30C31H17179.7°180.0°
C25C26C28F27179.9°180.0°
C25C26C28C29180.0°179.9°
C28C26C25H12179.8°180.0°
C26C28C29H1390.0°90.0°
C26C28C29H1430.0°150.0°
C26C28C29H15150.0°29.9°
C26C28C30H16180.0°180.0°
C29C28C26F270.1°0.0°
C28C29H13H14120.0°120.0°
C28C29H13H15120.0°120.0°
C28C29H14H15120.0°120.0°
C29C28C30H160.0°0.0°
F27C26C25H120.2°0.0°
H1C04N03H2530.2°120.0°
H2C04N03H25148.2°120.0°
H3C06C07H40.7°0.1°
H5C10C11H60.1°0.1°
H8C14C15H955.2°179.2°
H8C14C15H1065.0°59.2°
H8C14C36H2352.7°57.6°
H8C14C36H2467.2°177.8°
H13C29H14H15119.9°120.0°
H16C30C31H170.3°0.0°
H19C34C35H2142.9°60.9°
H19C34C35H22161.2°59.2°
H20C34C35H2176.0°59.1°
H20C34C35H2242.3°179.2°
H21C35C36H2345.6°62.5°
H21C35C36H2474.2°57.7°
H22C35C36H23164.0°57.6°
H22C35C36H2444.2°177.8°

222415

PDB entries from 2024-07-10

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