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KI8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.39Å1.42ÅAromatic
C1N3sing1.37Å1.38ÅAromatic
C1S5sing1.76Å1.81ÅAromatic
C2C7sing1.40Å1.45ÅAromatic
C2C8sing1.43Å1.49ÅAromatic
N3N4sing1.40Å1.42ÅAromatic
N3C13sing1.40Å1.40Å
N4C8doub1.30Å1.35ÅAromatic
S5C6sing1.76Å1.77ÅAromatic
C6C9sing1.47Å1.48Å
C6C7doub1.34Å1.36ÅAromatic
C8C20sing1.51Å1.54Å
C9N10sing1.35Å1.37Å
C9O16doub1.22Å1.22Å
N10C14sing1.47Å1.50Å
N10C15sing1.47Å1.51Å
N11C17sing1.47Å1.50Å
N11C12sing1.40Å1.44Å
N11C18sing1.47Å1.47Å
C12C19doub1.39Å1.47ÅAromatic
C12C22sing1.39Å1.44ÅAromatic
C13C23doub1.39Å1.38ÅAromatic
C13C24sing1.39Å1.39ÅAromatic
C14C18sing1.53Å1.51Å
C15C17sing1.53Å1.52Å
C19O21sing1.36Å1.41Å
C19C25sing1.38Å1.42ÅAromatic
O21C26sing1.43Å1.44Å
C22C27doub1.38Å1.42ÅAromatic
C23C29sing1.38Å1.37ÅAromatic
C24C30doub1.38Å1.36ÅAromatic
C25C28doub1.38Å1.42ÅAromatic
C27C28sing1.38Å1.43ÅAromatic
C29C31doub1.38Å1.38ÅAromatic
C30C31sing1.38Å1.38ÅAromatic
C7H1sing1.08Å1.08Å
C15H2sing1.09Å1.10Å
C15H3sing1.09Å1.10Å
C17H4sing1.09Å1.10Å
C17H5sing1.09Å1.10Å
C20H6sing1.09Å1.10Å
C20H7sing1.09Å1.10Å
C20H8sing1.09Å1.10Å
C22H9sing1.08Å1.08Å
C24H10sing1.08Å1.08Å
C26H11sing1.09Å1.10Å
C26H12sing1.09Å1.10Å
C26H13sing1.09Å1.10Å
C28H14sing1.08Å1.08Å
C14H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C18H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C23H19sing1.08Å1.08Å
C25H20sing1.08Å1.08Å
C27H21sing1.08Å1.08Å
C29H22sing1.08Å1.08Å
C30H23sing1.08Å1.08Å
C31H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1N3105.2°107.4°
C2C1S5113.6°109.8°
C1C2C7108.7°113.0°
C1C2C8107.6°106.5°
N3C1S5141.2°142.8°
C1N3N4112.0°108.1°
C1N3C13121.9°126.0°
C1S5C688.6°91.4°
C7C2C8143.6°140.5°
C2C7C6115.9°115.3°
C2C7H1122.0°122.3°
C2C8N4107.7°108.6°
C2C8C20127.8°125.7°
N4N3C13126.0°125.9°
N3N4C8107.4°109.4°
N3C13C23116.5°120.1°
N3C13C24120.8°120.0°
N4C8C20124.5°125.7°
S5C6C9122.2°124.8°
S5C6C7113.1°110.5°
C9C6C7124.1°124.8°
C6C9N10127.6°120.0°
C6C9O16112.3°120.0°
C6C7H1122.0°122.4°
C8C20H6109.5°109.4°
C8C20H7109.5°109.5°
C8C20H8109.5°109.5°
N10C9O16119.6°120.0°
C9N10C14115.4°120.9°
C9N10C15121.4°120.9°
C14N10C15123.2°118.2°
N10C14C18111.2°108.5°
N10C14H15109.0°109.6°
N10C14H16109.0°109.6°
N10C15C17103.8°108.5°
N10C15H2110.9°109.7°
N10C15H3110.9°109.8°
C17N11C12115.2°111.0°
C17N11C18111.2°111.2°
N11C17C15109.5°109.4°
N11C17H4109.5°109.5°
N11C17H5109.5°109.5°
C12N11C18107.3°111.0°
N11C12C19121.7°120.1°
N11C12C22117.6°120.1°
N11C18C14112.0°109.4°
N11C18H17108.8°109.5°
N11C18H18108.9°109.5°
C19C12C22120.6°119.9°
C12C19O21120.0°120.1°
C12C19C25118.7°119.8°
C12C22C27120.0°120.0°
C12C22H9120.0°120.0°
C23C13C24122.7°119.9°
C13C23C29115.7°119.9°
C13C23H19122.2°120.0°
C13C24C30121.2°119.9°
C13C24H10119.4°120.0°
C18C14H15109.1°109.7°
C18C14H16109.1°109.6°
C14C18H17108.8°109.5°
C14C18H18108.8°109.5°
C17C15H2110.9°109.6°
C17C15H3110.9°109.6°
C15C17H4109.4°109.5°
C15C17H5109.5°109.5°
O21C19C25121.2°120.1°
C19O21C26126.4°117.0°
C19C25C28118.8°120.0°
C19C25H20120.6°120.0°
O21C26H11109.5°109.5°
O21C26H12109.4°109.5°
O21C26H13109.5°109.5°
C22C27C28118.0°120.1°
C27C22H9120.0°120.0°
C22C27H21121.0°120.0°
C23C29C31121.4°120.1°
C29C23H19122.2°120.1°
C23C29H22119.3°119.9°
C24C30C31116.4°120.1°
C30C24H10119.4°120.1°
C24C30H23121.8°119.9°
C25C28C27123.8°120.2°
C25C28H14118.1°119.9°
C28C25H20120.6°120.0°
C27C28H14118.1°119.9°
C28C27H21121.0°119.9°
C29C31C30122.6°120.1°
C31C29H22119.3°119.9°
C29C31H24118.7°119.9°
C31C30H23121.8°120.0°
C30C31H24118.7°120.0°
H2C15H3109.5°109.7°
H4C17H5109.5°109.5°
H6C20H7109.4°109.5°
H6C20H8109.5°109.5°
H7C20H8109.5°109.5°
H11C26H12109.5°109.5°
H11C26H13109.5°109.4°
H12C26H13109.5°109.5°
H15C14H16109.4°109.8°
H17C18H18109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1N3S5177.8°180.0°
C1C2C7C8176.8°179.9°
C2C1N3N41.8°0.0°
C2C1N3C13175.3°179.7°
C1C2C8N40.8°0.0°
C2C1S5C62.6°0.0°
C1C2C7C61.8°0.0°
C1C2C8C20178.7°180.0°
C1C2C7H1178.2°180.0°
N3C1C2C7179.6°180.0°
N3C1C2C81.6°0.0°
C1N3N4C13177.0°179.7°
C1N3N4C81.4°0.0°
N3C1S5C6179.7°180.0°
C1N3C13C23167.5°145.2°
C1N3C13C2411.8°34.4°
S5C1C2C71.0°0.0°
S5C1C2C8176.9°180.0°
S5C1N3N4176.0°180.0°
S5C1N3C136.9°0.3°
C1S5C6C9175.2°180.0°
C1S5C6C73.6°0.0°
C7C2C8N4177.6°180.0°
C2C7C6S53.9°0.0°
C2C7C6C9175.3°180.0°
C2C7C6H1180.0°180.0°
C7C2C8C204.5°0.0°
C2C8N4N30.3°0.0°
C2C8N4C20178.0°180.0°
C8C2C7C6178.6°180.0°
C8C2C7H11.4°0.1°
C2C8C20H6177.6°90.0°
C2C8C20H762.4°150.0°
C2C8C20H857.6°30.0°
N3N4C8C20177.7°180.0°
N4N3C13C239.2°35.1°
N4N3C13C24171.5°145.3°
C13N3N4C8175.6°179.7°
N3C13C23C24179.4°179.6°
N3C13C23C29178.7°180.0°
N3C13C24C30179.1°180.0°
N3C13C24H100.9°0.1°
N3C13C23H191.3°0.1°
N4C8C20H60.0°90.0°
N4C8C20H7120.0°30.0°
N4C8C20H8120.0°150.0°
S5C6C9C7170.6°180.0°
S5C6C9N10149.7°28.6°
S5C6C9O1638.4°151.3°
S5C6C7H1176.1°180.0°
C6C9N10O16171.4°180.0°
C6C9N10C14174.0°6.5°
C6C9N10C157.4°173.5°
C9C6C7H14.8°0.0°
C7C6C9N1039.7°151.4°
C7C6C9O16132.2°28.7°
C8C20H6H7120.0°120.0°
C8C20H6H8120.0°120.0°
C8C20H7H8120.0°120.0°
C9N10C14C15178.6°180.0°
C9N10C14C18140.3°128.8°
C9N10C15C17131.4°128.8°
C9N10C15H212.3°111.5°
C9N10C15H3109.5°9.0°
C9N10C14H1599.4°111.5°
C9N10C14H1620.0°9.1°
O16C9N10C142.5°173.6°
O16C9N10C15178.8°6.4°
N10C14C18N1139.5°53.8°
N10C14C18H15120.2°119.7°
N10C14C18H16120.3°119.7°
C14N10C15C1747.1°51.2°
C14N10C15H2166.2°68.5°
C14N10C15H372.0°171.0°
N10C14H15H16119.2°120.5°
N10C14C18H1780.9°66.2°
N10C14C18H18159.9°173.8°
N10C15C17N1158.6°53.9°
C15N10C14C1838.3°51.2°
N10C15C17H2119.1°119.7°
N10C15C17H3119.1°119.9°
N10C15H2H3122.7°120.6°
N10C15C17H4178.6°66.2°
N10C15C17H561.4°173.8°
C15N10C14H1582.0°68.5°
C15N10C14H16158.6°170.9°
C17N11C12C18124.5°124.3°
C17N11C12C1955.2°120.1°
C17N11C12C22126.2°60.1°
C17N11C18C1457.3°63.1°
N11C17C15H4120.0°120.0°
N11C17C15H5120.0°120.0°
N11C17C15H2177.7°65.8°
N11C17C15H360.5°173.7°
N11C17H4H5120.0°120.0°
C17N11C18H1763.1°56.9°
C17N11C18H18177.7°177.0°
N11C12C19C22178.5°179.9°
C12N11C18C14175.8°172.7°
C12N11C17C15168.1°172.7°
N11C12C19O211.9°0.1°
N11C12C19C25179.6°180.0°
N11C12C22C27179.3°180.0°
C12N11C17H448.1°67.2°
C12N11C17H571.9°52.8°
N11C12C22H90.7°0.1°
C12N11C18H1763.8°67.3°
C12N11C18H1855.5°52.8°
C18N11C12C19179.7°115.6°
C18N11C12C221.7°64.2°
N11C18C14H17120.4°120.0°
N11C18C14H18120.4°120.0°
C18N11C17C1569.5°63.1°
C18N11C17H4170.5°56.9°
C18N11C17H550.5°177.0°
N11C18C14H1580.8°65.9°
N11C18C14H16159.8°173.5°
N11C18H17H18118.9°120.1°
C12C19O21C25177.6°179.9°
C12C19O21C26144.3°179.9°
C19C12C22C270.7°0.1°
C12C19C25C281.6°0.2°
C19C12C22H9179.3°179.8°
C12C19C25H20178.5°180.0°
C22C12C19O21179.5°180.0°
C22C12C19C251.8°0.1°
C12C22C27H9180.0°179.9°
C12C22C27C280.6°0.1°
C12C22C27H21179.4°179.8°
C13C23C29H19180.0°179.9°
C23C13C24C300.2°0.4°
C13C23C29C310.6°0.1°
C23C13C24H10179.8°179.7°
C13C23C29H22179.4°179.9°
C24C13C23C290.7°0.4°
C13C24C30H10180.0°179.9°
C13C24C30C310.4°0.1°
C24C13C23H19179.3°179.7°
C13C24C30H23179.6°180.0°
C18C14H15H16119.2°120.5°
C14C18H17H18118.8°120.0°
C17C15H2H3122.6°120.4°
C15C17H4H5120.0°120.0°
O21C19C25C28179.2°179.9°
C19O21C26H11180.0°60.0°
C19O21C26H1260.0°60.0°
C19O21C26H1360.0°179.9°
O21C19C25H200.8°0.1°
C25C19O21C2638.1°0.0°
C19C25C28H20180.0°179.8°
C19C25C28C270.2°0.2°
C19C25C28H14179.7°180.0°
O21C26H11H12120.0°120.0°
O21C26H11H13120.0°119.9°
O21C26H12H13120.0°120.0°
C22C27C28C250.9°0.2°
C22C27C28H21180.0°179.7°
C22C27C28H14179.1°180.0°
C23C29C31H22180.0°179.9°
C23C29C31C300.0°0.2°
C23C29C31H24180.0°180.0°
C24C30C31C290.5°0.2°
C24C30C31H23180.0°179.9°
C24C30C31H24179.5°180.0°
C25C28C27H14180.0°179.8°
C25C28C27H21179.1°179.8°
C28C27C22H9179.4°179.7°
C27C28C25H20179.8°180.0°
C29C31C30H24180.0°179.8°
C31C29C23H19179.4°180.0°
C29C31C30H23179.5°179.8°
C31C30C24H10179.6°180.0°
C30C31C29H22180.0°179.8°
H2C15C17H462.3°174.1°
H2C15C17H557.7°54.1°
H3C15C17H459.5°53.7°
H3C15C17H5179.5°66.3°
H6C20H7H8120.0°120.0°
H9C22C27H210.6°0.1°
H10C24C30H230.4°0.1°
H11C26H12H13120.0°120.0°
H14C28C25H200.2°0.2°
H14C28C27H210.9°0.4°
H15C14C18H17158.9°174.1°
H15C14C18H1839.6°54.1°
H16C14C18H1739.4°53.5°
H16C14C18H1879.9°66.5°
H19C23C29H220.6°0.0°
H22C29C31H240.0°0.1°
H23C30C31H240.5°0.1°

224931

PDB entries from 2024-09-11

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