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SummaryGeometryRelated PDB entries

DI1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C01C02sing1.53Å1.51Å
C02N03sing1.47Å1.31Å
N03C04sing1.47Å1.37Å
N03C08sing1.47Å1.39Å
C04C05sing1.53Å1.54Å
C05N06sing1.47Å1.39Å
N06C07sing1.47Å1.36Å
N06C09sing1.47Å1.34Å
C07C08sing1.53Å1.51Å
C09C10sing1.51Å1.53Å
C10C11sing1.38Å1.41ÅAromatic
C10C15doub1.38Å1.43ÅAromatic
C11C12doub1.38Å1.41ÅAromatic
C12C13sing1.40Å1.42ÅAromatic
C13C14doub1.40Å1.38ÅAromatic
C13C20sing1.48Å1.54Å
C14C15sing1.38Å1.40ÅAromatic
C15C16sing1.51Å1.56Å
C16F17sing1.40Å1.35Å
C16F18sing1.40Å1.36Å
C16F19sing1.40Å1.33Å
C20N21sing1.35Å1.42Å
C20O40doub1.22Å1.22Å
N21C22sing1.40Å1.47Å
C22C23sing1.39Å1.42ÅAromatic
C22C28doub1.39Å1.42ÅAromatic
C23C24doub1.38Å1.36ÅAromatic
C24C25sing1.38Å1.41ÅAromatic
C25C26sing1.51Å1.53Å
C25C27doub1.39Å1.45ÅAromatic
C27C28sing1.39Å1.37ÅAromatic
C27O29sing1.36Å1.47Å
O29C30sing1.36Å1.43Å
C30C31sing1.39Å1.40ÅAromatic
C30C39doub1.39Å1.45ÅAromatic
C31C32doub1.38Å1.35ÅAromatic
C32C33sing1.39Å1.38ÅAromatic
C33C34doub1.39Å1.40ÅAromatic
C33N37sing1.40Å1.47Å
C34C35sing1.51Å1.49Å
C34C39sing1.38Å1.47ÅAromatic
C35C36sing1.51Å1.48Å
C36N37sing1.34Å1.38Å
C36O38doub1.21Å1.22Å
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C02H021sing1.09Å1.10Å
C02H022sing1.09Å1.10Å
C04H041sing1.09Å1.10Å
C04H042sing1.09Å1.10Å
C08H081sing1.09Å1.10Å
C08H082sing1.09Å1.10Å
C05H051sing1.09Å1.10Å
C05H052sing1.09Å1.10Å
C07H071sing1.09Å1.10Å
C07H072sing1.09Å1.10Å
C09H091sing1.09Å1.10Å
C09H092sing1.09Å1.10Å
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
N21H21sing0.97Å1.00Å
C23H23sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
C26H263sing1.09Å1.10Å
C31H31sing1.08Å1.08Å
C39H39sing1.08Å1.08Å
C32H32sing1.08Å1.08Å
N37H37sing0.97Å1.00Å
C35H351sing1.09Å1.10Å
C35H352sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C01C02N03118.4°109.5°
C02C01H011109.5°109.5°
C02C01H012109.5°109.4°
C02C01H013109.5°109.5°
C01C02H021107.2°109.4°
C01C02H022107.2°109.5°
C02N03C04115.9°111.0°
C02N03C08107.7°111.0°
N03C02H021107.2°109.5°
N03C02H022107.2°109.5°
C04N03C08110.9°110.9°
N03C04C05112.0°109.4°
N03C04H041108.9°109.5°
N03C04H042108.8°109.5°
N03C08C07114.3°109.3°
N03C08H081108.3°109.5°
N03C08H082108.2°109.5°
C04C05N06114.5°109.4°
C05C04H041108.8°109.5°
C05C04H042108.8°109.5°
C04C05H051108.2°109.5°
C04C05H052108.2°109.5°
C05N06C07112.3°110.8°
C05N06C09112.5°111.0°
N06C05H051108.2°109.5°
N06C05H052108.2°109.5°
C07N06C09113.5°111.0°
N06C07C08110.2°109.4°
N06C07H071109.3°109.5°
N06C07H072109.3°109.5°
N06C09C10112.6°109.4°
N06C09H091108.7°109.5°
N06C09H092108.7°109.5°
C07C08H081108.2°109.5°
C07C08H082108.3°109.5°
C08C07H071109.3°109.5°
C08C07H072109.3°109.5°
C09C10C11118.9°119.8°
C09C10C15122.0°119.9°
C10C09H091108.7°109.4°
C10C09H092108.7°109.5°
C11C10C15119.1°120.3°
C10C11C12119.7°120.1°
C10C11H11120.1°119.9°
C10C15C14121.0°120.2°
C10C15C16123.9°119.9°
C11C12C13119.8°119.9°
C12C11H11120.1°119.9°
C11C12H12120.1°120.0°
C12C13C14121.1°119.7°
C12C13C20122.6°120.2°
C13C12H12120.1°120.1°
C14C13C20116.2°120.2°
C13C14C15119.2°119.8°
C13C14H14120.4°120.0°
C13C20N21118.1°120.0°
C13C20O40117.6°120.0°
C14C15C16115.1°119.9°
C15C14H14120.4°120.1°
C15C16F17110.2°109.5°
C15C16F18111.0°109.5°
C15C16F19107.6°109.5°
F17C16F18111.5°109.4°
F17C16F19109.7°109.5°
F18C16F19106.7°109.5°
N21C20O40124.3°120.0°
C20N21C22123.6°120.0°
C20N21H21118.2°120.0°
N21C22C23115.2°120.0°
N21C22C28123.2°120.0°
C22N21H21118.2°120.0°
C23C22C28121.6°119.9°
C22C23C24119.3°120.1°
C22C23H23120.4°120.0°
C22C28C27120.2°119.8°
C22C28H28119.9°120.1°
C23C24C25119.7°120.1°
C24C23H23120.3°120.0°
C23C24H24120.2°119.9°
C24C25C26115.2°119.9°
C24C25C27121.9°120.1°
C25C24H24120.2°120.0°
C26C25C27122.9°120.0°
C25C26H261109.5°109.5°
C25C26H262109.5°109.4°
C25C26H263109.5°109.5°
C25C27C28117.3°120.0°
C25C27O29124.2°120.1°
C28C27O29118.5°120.0°
C27C28H28119.9°120.1°
C27O29C30113.8°118.0°
O29C30C31108.9°120.2°
O29C30C39130.9°120.1°
C31C30C39120.2°119.7°
C30C31C32121.9°120.3°
C30C31H31119.1°119.8°
C30C39C34116.1°119.9°
C30C39H39122.0°120.1°
C31C32C33120.4°120.2°
C32C31H31119.1°119.8°
C31C32H32119.8°119.9°
C32C33C34122.5°119.0°
C32C33N37122.4°130.7°
C33C32H32119.8°119.9°
C34C33N37115.0°110.2°
C33C34C35101.8°106.3°
C33C34C39118.8°120.9°
C33N37C36105.0°112.2°
C33N37H37127.5°123.9°
C35C34C39139.4°132.8°
C34C35C36108.9°104.1°
C34C35H351109.6°110.5°
C34C35H352109.6°110.4°
C34C39H39121.9°120.0°
C35C36N37109.3°107.1°
C35C36O38132.4°126.5°
C36C35H351109.6°110.5°
C36C35H352109.6°110.5°
N37C36O38118.3°126.4°
C36N37H37127.5°123.9°
H011C01H012109.4°109.4°
H011C01H013109.5°109.5°
H012C01H013109.4°109.5°
H021C02H022109.5°109.4°
H041C04H042109.5°109.5°
H081C08H082109.4°109.5°
H051C05H052109.5°109.5°
H071C07H072109.5°109.5°
H091C09H092109.5°109.5°
H261C26H262109.5°109.4°
H261C26H263109.5°109.4°
H262C26H263109.5°109.5°
H351C35H352109.4°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C01C02N03H021121.3°120.0°
C01C02N03H022121.3°120.0°
C01C02N03C0447.5°170.0°
C01C02N03C08172.3°66.2°
C02C01H011H012120.0°119.9°
C02C01H011H013120.0°120.0°
C02C01H012H013120.0°120.0°
C01C02H021H022115.9°120.0°
C02N03C04C08123.1°123.9°
C02N03C04C05172.1°176.8°
C02N03C08C07177.4°176.8°
N03C02C01H011180.0°60.1°
N03C02C01H01260.0°180.0°
N03C02C01H01360.0°60.0°
N03C02H021H022116.0°120.0°
C02N03C04H04151.7°63.2°
C02N03C04H04267.5°56.8°
C02N03C08H08156.7°56.8°
C02N03C08H08261.9°63.3°
N03C04C05H041120.4°119.9°
N03C04C05H042120.4°120.0°
N03C04C05N0648.3°58.4°
C04N03C08C0754.9°59.3°
C04N03C02H021168.8°70.0°
C04N03C02H02273.7°49.9°
N03C04H041H042118.8°120.0°
C04N03C08H081175.6°179.3°
C04N03C08H08265.9°60.7°
N03C04C05H051169.1°178.4°
N03C04C05H05272.4°61.6°
C08N03C04C0549.0°59.3°
N03C08C07N0656.6°58.4°
N03C08C07H081120.7°120.0°
N03C08C07H082120.7°120.0°
C08N03C02H02166.5°53.8°
C08N03C02H02251.0°173.8°
C08N03C04H04171.3°60.7°
C08N03C04H042169.4°179.3°
N03C08H081H082117.8°120.1°
N03C08C07H071176.7°178.3°
N03C08C07H07263.5°61.6°
C04C05N06H051120.7°120.0°
C04C05N06H052120.7°120.0°
C04C05N06C0750.5°59.3°
C04C05N06C09179.9°176.8°
C05C04H041H042118.8°120.1°
C04C05H051H052117.7°120.0°
C05N06C07C09129.0°123.8°
C05N06C07C0852.7°59.4°
C05N06C09C10165.2°170.0°
N06C05C04H04172.1°61.5°
N06C05C04H042168.7°178.4°
N06C05H051H052117.7°120.1°
C05N06C07H071172.9°179.3°
C05N06C07H07267.4°60.6°
C05N06C09H09144.7°50.0°
C05N06C09H09274.4°70.0°
N06C07C08H071120.1°119.9°
N06C07C08H072120.1°120.0°
C07N06C09C1065.9°66.3°
N06C07C08H081177.3°178.4°
N06C07C08H08264.1°61.5°
C07N06C05H051171.3°179.3°
C07N06C05H05270.2°60.6°
N06C07H071H072119.7°120.1°
C07N06C09H091173.6°173.8°
C07N06C09H09254.6°53.7°
C09N06C07C08178.2°176.8°
N06C09C10H091120.5°120.0°
N06C09C10H092120.4°120.0°
N06C09C10C1141.4°100.0°
N06C09C10C15137.1°79.7°
C09N06C05H05159.2°56.9°
C09N06C05H05259.3°63.2°
C09N06C07H07158.1°56.9°
C09N06C07H07261.7°63.2°
N06C09H091H092118.6°120.1°
C07C08H081H082117.8°120.0°
C08C07H071H072119.7°120.1°
C09C10C11C15178.5°179.8°
C09C10C11C12178.4°180.0°
C09C10C15C14178.5°179.7°
C09C10C15C160.2°0.1°
C10C09H091H092118.6°120.0°
C09C10C11H111.5°0.0°
C10C11C12H11180.0°180.0°
C10C11C12C130.3°0.0°
C11C10C15C140.0°0.5°
C11C10C15C16178.3°179.7°
C11C10C09H09179.1°140.0°
C11C10C09H092161.8°20.0°
C10C11C12H12179.7°180.0°
C15C10C11C120.1°0.3°
C10C15C14C130.1°0.5°
C10C15C14C16178.4°179.8°
C10C15C16F1754.4°180.0°
C10C15C16F18178.4°60.0°
C10C15C16F1965.2°60.0°
C15C10C09H091102.4°40.3°
C15C10C09H09216.7°160.2°
C15C10C11H11179.9°179.8°
C10C15C14H14179.9°179.7°
C11C12C13H12180.0°180.0°
C11C12C13C140.4°0.0°
C11C12C13C20179.7°180.0°
C12C13C14C20179.3°180.0°
C12C13C14C150.3°0.2°
C12C13C20N2129.1°0.0°
C12C13C20O40148.8°180.0°
C13C12C11H11179.7°180.0°
C12C13C14H14179.7°180.0°
C13C14C15H14180.0°179.8°
C13C14C15C16178.5°179.7°
C14C13C20N21151.7°180.0°
C14C13C20O4030.5°0.0°
C14C13C12H12179.6°180.0°
C20C13C14C15179.6°179.8°
C13C20N21O40177.7°180.0°
C13C20N21C22179.6°176.0°
C20C13C12H120.4°0.0°
C20C13C14H140.4°0.0°
C13C20N21H210.3°4.0°
C14C15C16F17127.3°0.3°
C14C15C16F183.3°120.2°
C14C15C16F19113.1°119.8°
C15C16F17F18123.7°120.0°
C15C16F17F19118.3°120.0°
C15C16F18F19117.0°120.0°
C16C15C14H141.5°0.1°
F17C16F18F19119.7°120.0°
C20N21C22H21180.0°180.0°
C20N21C22C23140.1°35.2°
C20N21C22C2841.8°145.0°
O40C20N21C222.6°4.0°
O40C20N21H21177.4°176.0°
N21C22C23C28178.2°179.8°
N21C22C23C24179.0°180.0°
N21C22C28C27179.3°179.7°
N21C22C23H231.0°0.0°
N21C22C28H280.7°0.0°
C22C23C24H23180.0°180.0°
C22C23C24C250.5°0.1°
C23C22C28C271.2°0.5°
C23C22N21H2139.9°144.8°
C23C22C28H28178.8°179.8°
C22C23C24H24179.5°180.0°
C28C22C23C240.9°0.2°
C22C28C27C250.3°0.5°
C22C28C27H28180.0°179.7°
C22C28C27O29179.8°179.7°
C28C22N21H21138.3°35.0°
C28C22C23H23179.2°179.8°
C23C24C25H24180.0°179.9°
C23C24C25C26179.1°180.0°
C23C24C25C271.4°0.1°
C24C25C26C27179.5°179.9°
C24C25C27C281.1°0.2°
C24C25C27O29178.5°180.0°
C25C24C23H23179.5°179.9°
C24C25C26H26190.2°90.0°
C24C25C26H262149.8°150.0°
C24C25C26H26329.8°30.0°
C26C25C27C28179.5°179.7°
C26C25C27O291.0°0.0°
C26C25C24H240.9°0.1°
C25C26H261H262120.0°120.0°
C25C26H261H263120.0°120.0°
C25C26H262H263120.0°120.0°
C25C27C28O29179.5°179.7°
C25C27O29C3072.9°174.3°
C25C27C28H28179.7°179.8°
C27C25C24H24178.6°180.0°
C27C25C26H26190.3°90.0°
C27C25C26H26229.7°30.0°
C27C25C26H263149.7°150.0°
C28C27O29C30107.6°5.9°
C27O29C30C3112.6°66.8°
C27O29C30C39169.5°113.5°
O29C27C28H280.2°0.0°
O29C30C31C39178.2°179.7°
O29C30C31C32179.2°180.0°
O29C30C39C34178.6°179.7°
O29C30C31H310.8°0.1°
O29C30C39H391.4°0.0°
C30C31C32H31180.0°179.9°
C30C31C32C330.1°0.1°
C31C30C39C340.9°0.6°
C31C30C39H39179.1°179.7°
C30C31C32H32179.9°180.0°
C39C30C31C321.0°0.4°
C30C39C34C330.2°0.6°
C30C39C34C35178.6°179.8°
C30C39C34H39180.0°179.7°
C39C30C31H31179.0°179.7°
C31C32C33H32180.0°179.9°
C31C32C33C341.0°0.0°
C31C32C33N37179.9°180.0°
C32C33C34N37179.2°180.0°
C32C33C34C35179.9°180.0°
C32C33C34C391.1°0.3°
C32C33N37C36179.3°180.0°
C33C32C31H31179.9°180.0°
C32C33N37H370.8°0.1°
C33C34C35C39178.6°179.6°
C33C34C35C361.1°0.0°
C34C33N37C360.1°0.0°
C33C34C39H39179.8°179.8°
C34C33C32H32179.0°180.0°
C34C33N37H37179.9°179.9°
C33C34C35H351121.0°118.7°
C33C34C35H352118.9°118.7°
N37C33C34C350.7°0.0°
N37C33C34C39179.7°179.7°
C33N37C36C350.7°0.0°
C33N37C36H37180.0°179.9°
C33N37C36O38179.4°180.0°
N37C33C32H320.1°0.0°
C34C35C36H351119.9°118.7°
C34C35C36H352119.9°118.6°
C34C35C36N371.1°0.0°
C34C35C36O38179.7°180.0°
C35C34C39H391.4°0.2°
C34C35H351H352120.3°122.6°
C39C34C35C36179.7°179.7°
C39C34C35H35160.4°61.0°
C39C34C35H35259.8°61.7°
C35C36N37O38178.8°179.9°
C35C36N37H37179.3°180.0°
C36C35H351H352120.3°122.7°
N37C36C35H351121.1°118.7°
N37C36C35H352118.8°118.7°
O38C36N37H370.6°0.1°
O38C36C35H35160.4°61.3°
O38C36C35H35259.7°61.4°
H011C01H012H013120.0°120.0°
H011C01C02H02158.7°180.0°
H011C01C02H02258.8°60.0°
H012C01C02H02161.3°60.0°
H012C01C02H022178.7°59.9°
H013C01C02H021178.7°60.0°
H013C01C02H02261.3°179.9°
H041C04C05H05148.7°58.4°
H041C04C05H052167.2°178.5°
H042C04C05H05170.6°61.7°
H042C04C05H05248.0°58.4°
H081C08C07H07162.6°61.7°
H081C08C07H07257.2°58.4°
H082C08C07H07156.0°58.4°
H082C08C07H072175.8°178.4°
H11C11C12H120.3°0.0°
H23C23C24H240.5°0.0°
H261C26H262H263120.0°120.0°
H31C31C32H320.1°0.1°

246905

PDB entries from 2025-12-31

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