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SummaryGeometryRelated PDB entries

LIF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
F1C2sing1.40Å1.31Å
C2F3sing1.40Å1.30Å
C2F4sing1.40Å1.29Å
C2C5sing1.51Å1.51Å
C5C6doub1.38Å1.40ÅAromatic
C5C10sing1.38Å1.38ÅAromatic
C6C7sing1.39Å1.42ÅAromatic
C6H6sing1.08Å1.10Å
C10C9doub1.38Å1.40ÅAromatic
C10H10sing1.08Å1.10Å
C9C8sing1.38Å1.38ÅAromatic
C9H9sing1.08Å1.10Å
C8F11sing1.35Å1.35Å
C8C7doub1.39Å1.38ÅAromatic
C7N12sing1.40Å1.38Å
N12C13sing1.35Å1.34Å
N12H12sing0.97Å1.02Å
C13O14doub1.22Å1.23Å
C13N15sing1.35Å1.36Å
N15C16sing1.40Å1.37Å
N15H15sing0.97Å1.02Å
C16C17doub1.39Å1.39ÅAromatic
C16C21sing1.39Å1.39ÅAromatic
C17C18sing1.38Å1.39ÅAromatic
C17H17sing1.08Å1.10Å
C18C19doub1.40Å1.39ÅAromatic
C18H18sing1.08Å1.10Å
C19C20sing1.40Å1.39ÅAromatic
C19C22sing1.48Å1.48ÅAromatic
C20C21doub1.38Å1.37ÅAromatic
C20H20sing1.08Å1.10Å
C21H21sing1.08Å1.10Å
C22C23doub1.37Å1.36ÅAromatic
C22C30sing1.47Å1.48ÅAromatic
C23C32sing1.47Å1.50ÅAromatic
C23O24sing1.35Å1.44ÅAromatic
C32C33doub1.40Å1.37ÅAromatic
C32C37sing1.40Å1.39ÅAromatic
C33C34sing1.38Å1.40ÅAromatic
C33H33sing1.08Å1.10Å
C34C35doub1.39Å1.39ÅAromatic
C34H34sing1.08Å1.10Å
C35C36sing1.39Å1.38ÅAromatic
C35O38sing1.36Å1.37Å
C36C37doub1.38Å1.38ÅAromatic
C36H36sing1.08Å1.10Å
C37H37sing1.08Å1.10Å
O38C39sing1.43Å1.43Å
C39H391sing1.09Å1.11Å
C39H392sing1.09Å1.12Å
C39H393sing1.09Å1.12Å
O24C25sing1.34Å1.28ÅAromatic
C25N26doub1.33Å1.33ÅAromatic
C25C30sing1.41Å1.39ÅAromatic
N26C27sing1.32Å1.36ÅAromatic
C30C29doub1.40Å1.39ÅAromatic
C29N31sing1.38Å1.35Å
C29N28sing1.33Å1.35ÅAromatic
N31H311sing0.97Å1.02Å
N31H312sing0.97Å1.02Å
N28C27doub1.32Å1.34ÅAromatic
C27H27sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
F1C2F3107.9°109.5°
F1C2F4108.8°109.5°
F1C2C5110.4°109.5°
F3C2F4108.8°109.5°
F3C2C5110.5°109.4°
F4C2C5110.3°109.4°
C2C5C6120.2°119.9°
C2C5C10119.3°120.0°
C6C5C10120.5°120.1°
C5C6C7119.9°120.0°
C5C6H6119.2°120.0°
C5C10C9120.2°120.1°
C5C10H10119.2°119.9°
C7C6H6120.9°120.0°
C6C7C8118.0°119.8°
C6C7N12125.0°120.1°
C9C10H10120.6°119.9°
C10C9C8118.9°120.1°
C10C9H9121.2°120.0°
C8C9H9119.9°120.0°
C9C8F11119.5°120.1°
C9C8C7122.5°119.9°
F11C8C7118.0°120.0°
C8C7N12116.8°120.1°
C7N12C13126.9°120.0°
C7N12H12106.1°120.0°
C13N12H12106.1°120.0°
N12C13O14120.4°120.0°
N12C13N15118.0°120.0°
O14C13N15121.6°120.0°
C13N15C16127.5°120.0°
C13N15H15116.0°120.0°
C16N15H15116.6°120.0°
N15C16C17126.4°119.9°
N15C16C21118.1°120.0°
C17C16C21115.5°120.1°
C16C17C18121.4°120.1°
C16C17H17119.3°120.0°
C16C21C20124.3°120.1°
C16C21H21118.6°120.0°
C18C17H17119.3°119.9°
C17C18C19121.2°119.9°
C17C18H18119.3°120.1°
C19C18H18119.5°120.0°
C18C19C20118.1°119.9°
C18C19C22117.1°120.0°
C20C19C22124.8°120.1°
C19C20C21119.4°119.9°
C19C20H20120.8°120.0°
C19C22C23125.5°127.1°
C19C22C30130.1°127.2°
C21C20H20119.8°120.1°
C20C21H21117.1°119.9°
C23C22C30104.0°105.7°
C22C23C32132.7°125.3°
C22C23O24110.5°109.5°
C22C30C25105.8°105.9°
C22C30C29133.6°135.3°
C32C23O24116.7°125.3°
C23C32C33124.3°120.1°
C23C32C37114.9°120.1°
C23O24C25106.6°111.3°
C33C32C37120.8°119.8°
C32C33C34120.0°119.9°
C32C33H33119.2°120.1°
C32C37C36119.7°119.9°
C32C37H37120.5°120.1°
C34C33H33120.8°120.0°
C33C34C35118.8°120.1°
C33C34H34120.6°119.9°
C35C34H34120.5°119.9°
C34C35C36120.6°120.2°
C34C35O38118.0°119.9°
C36C35O38121.3°119.9°
C35C36C37120.0°120.1°
C35C36H36120.2°119.9°
C35O38C39122.0°106.8°
C37C36H36119.8°120.0°
C36C37H37119.8°120.0°
O38C39H391122.1°109.4°
O38C39H392107.7°109.4°
O38C39H393107.7°109.5°
H391C39H392107.7°109.5°
H391C39H393107.8°109.5°
H392C39H393102.0°109.5°
O24C25N26125.4°133.9°
O24C25C30113.1°107.7°
N26C25C30121.6°118.4°
C25N26C27117.6°120.8°
C25C30C29120.6°118.9°
N26C27N28122.0°122.7°
N26C27H27119.6°118.6°
C30C29N31123.4°120.8°
C30C29N28115.7°118.3°
N31C29N28120.9°120.9°
C29N31H311123.4°120.0°
C29N31H312107.3°120.0°
C29N28C27122.6°120.9°
H311N31H312107.3°120.0°
N28C27H27118.5°118.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
F1C2F3F4117.9°120.0°
F1C2F3C5120.9°120.0°
F1C2F4C5121.3°120.0°
F1C2C5C677.8°30.0°
F1C2C5C10101.4°150.0°
F3C2F4C5121.4°119.9°
F3C2C5C6162.9°90.0°
F3C2C5C1018.0°90.0°
F4C2C5C642.5°150.0°
F4C2C5C10138.4°30.0°
C2C5C6C10179.1°180.0°
C2C5C6C7178.6°180.0°
C2C5C6H61.4°0.0°
C2C5C10C9178.8°180.0°
C2C5C10H101.2°0.0°
C5C6C7H6180.0°180.0°
C6C5C10C90.3°0.0°
C6C5C10H10179.7°180.0°
C5C6C7C80.4°0.2°
C5C6C7N12174.3°180.0°
C10C5C6C70.5°0.1°
C10C5C6H6179.5°180.0°
C5C10C9H10180.0°180.0°
C5C10C9C80.0°0.3°
C5C10C9H9179.9°180.0°
C6C7C8C90.1°0.5°
C6C7C8F11180.0°179.9°
C6C7C8N12175.1°179.8°
C6C7N12C1321.5°21.3°
C6C7N12H12103.8°158.8°
H6C6C7C8179.6°179.8°
H6C6C7N125.7°0.0°
C10C9C8H9180.0°179.7°
C10C9C8F11179.8°180.0°
C10C9C8C70.1°0.5°
H10C10C9C8180.0°179.7°
H10C10C9H90.0°0.0°
C9C8F11C7179.9°179.4°
C9C8C7N12175.0°179.7°
H9C9C8F110.2°0.3°
H9C9C8C7179.8°179.7°
F11C8C7N124.9°0.2°
C8C7N12C13153.2°158.5°
C8C7N12H1281.5°21.4°
C7N12C13H12125.3°179.9°
C7N12C13O143.6°6.5°
C7N12C13N15179.6°173.4°
N12C13O14N15175.9°180.0°
N12C13N15C16169.8°175.7°
N12C13N15H1510.1°4.4°
H12N12C13O14128.9°173.3°
H12N12C13N1555.1°6.7°
O14C13N15C166.2°4.3°
O14C13N15H15173.9°175.6°
C13N15C16H15180.0°179.9°
C13N15C16C1714.8°143.7°
C13N15C16C21162.9°36.3°
N15C16C17C21177.8°180.0°
N15C16C17C18178.0°180.0°
N15C16C17H172.0°0.1°
N15C16C21C20178.7°179.7°
N15C16C21H211.4°0.0°
H15N15C16C17165.2°36.2°
H15N15C16C2117.1°143.8°
C16C17C18H17180.0°179.9°
C16C17C18C190.6°0.0°
C16C17C18H18179.4°180.0°
C17C16C21C200.7°0.2°
C17C16C21H21179.3°180.0°
C21C16C17C180.2°0.0°
C21C16C17H17179.8°180.0°
C16C21C20C191.6°0.5°
C16C21C20H21179.9°179.8°
C16C21C20H20178.3°180.0°
C17C18C19H18180.0°180.0°
C17C18C19C201.5°0.2°
C17C18C19C22176.1°180.0°
H17C17C18C19179.4°180.0°
H17C17C18H180.6°0.1°
C18C19C20C22177.3°179.7°
C18C19C20C211.9°0.5°
C18C19C20H20178.0°180.0°
C18C19C22C23115.6°70.0°
C18C19C22C3056.0°110.2°
H18C18C19C20178.6°179.7°
H18C18C19C223.9°0.0°
C19C20C21H20180.0°179.5°
C19C20C21H21178.4°179.8°
C20C19C22C2361.7°109.7°
C20C19C22C30126.7°70.1°
C22C19C20C21175.4°179.8°
C22C19C20H204.7°0.2°
C19C22C23C30173.4°179.9°
C19C22C23C327.2°0.1°
C19C22C23O24176.2°179.7°
C19C22C30C25175.2°179.8°
C19C22C30C297.8°0.0°
H20C20C21H211.6°0.2°
C22C23C32O24176.4°179.6°
C22C23C32C3324.0°133.7°
C22C23C32C37154.9°46.3°
C22C23O24C252.5°0.3°
C23C22C30C252.3°0.4°
C23C22C30C29179.3°179.9°
C30C22C23C32179.4°179.9°
C30C22C23O242.8°0.4°
C22C30C25O240.9°0.2°
C22C30C25N26178.1°179.8°
C22C30C25C29177.5°179.8°
C22C30C29N312.6°0.3°
C22C30C29N28178.5°179.7°
C23C32C33C37178.8°180.0°
C23C32C33C34179.6°180.0°
C23C32C33H330.3°0.0°
C23C32C37C36179.6°179.8°
C23C32C37H370.4°0.0°
C32C23O24C25179.6°180.0°
O24C23C32C33159.6°45.8°
O24C23C32C3721.5°134.2°
C23O24C25N26179.8°180.0°
C23O24C25C300.9°0.1°
C32C33C34H33179.9°180.0°
C32C33C34C350.1°0.0°
C32C33C34H34180.0°180.0°
C33C32C37C360.6°0.2°
C33C32C37H37179.4°180.0°
C37C32C33C340.8°0.0°
C37C32C33H33179.2°180.0°
C32C37C36C350.3°0.5°
C32C37C36H37180.0°179.8°
C32C37C36H36179.7°180.0°
C33C34C35H34180.0°180.0°
C33C34C35C360.8°0.3°
C33C34C35O38179.5°180.0°
H33C33C34C35179.9°180.0°
H33C33C34H340.1°0.0°
C34C35C36O38179.7°179.7°
C34C35C36C371.0°0.5°
C34C35C36H36179.0°179.9°
C34C35O38C39169.2°180.0°
H34C34C35C36179.2°179.7°
H34C34C35O380.5°0.0°
C35C36C37H36180.0°179.6°
C35C36C37H37179.8°179.8°
C36C35O38C3911.1°0.2°
O38C35C36C37179.4°179.8°
O38C35C36H360.6°0.2°
C35O38C39H391180.0°60.0°
C35O38C39H39254.7°60.0°
C35O38C39H39354.7°180.0°
H36C36C37H370.2°0.2°
O38C39H391H392125.3°120.0°
O38C39H391H393125.3°120.0°
O38C39H392H393113.2°120.0°
H391C39H392H393113.3°120.1°
O24C25N26C30178.8°180.0°
O24C25N26C27179.5°180.0°
O24C25C30C29178.3°180.0°
N26C25C30C290.6°0.0°
C25N26C27N280.7°0.0°
C25N26C27H27179.3°180.0°
C30C25N26C270.7°0.0°
C25C30C29N31179.2°180.0°
C25C30C29N281.9°0.0°
N26C27N28C290.7°0.0°
N26C27N28H27180.0°179.9°
C30C29N31N28178.9°180.0°
C30C29N31H311180.0°180.0°
C30C29N31H31254.7°0.0°
C30C29N28C271.9°0.0°
C29N31H311H312125.3°180.0°
N31C29N28C27179.1°180.0°
N28C29N31H3111.2°0.0°
N28C29N31H312124.2°180.0°
C29N28C27H27179.3°180.0°

223790

PDB entries from 2024-08-14

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