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373

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C6sing1.40Å1.45ÅAromatic
C1C14sing1.46Å1.46ÅAromatic
C1C2doub1.40Å1.45ÅAromatic
C2C3sing1.40Å1.46ÅAromatic
C2H2sing1.09Å1.08Å
C3C4doub1.40Å1.46ÅAromatic
C3H3sing1.09Å1.08Å
C4C5sing1.39Å1.45ÅAromatic
C4H4sing1.09Å1.08Å
C5C6doub1.40Å1.44ÅAromatic
C5H5sing1.09Å1.08Å
C6N11sing1.40Å1.37ÅAromatic
N11C12sing1.38Å1.35ÅAromatic
N11HN11sing1.02Å1.00Å
C12O1doub1.23Å1.23Å
C12C13sing1.51Å1.50ÅAromatic
C13C16sing1.44Å1.49ÅAromatic
C13C14doub1.34Å1.35ÅAromatic
C14H14sing1.09Å1.08Å
C16N17sing1.37Å1.41ÅAromatic
C16C20doub1.38Å1.42ÅAromatic
N17C18sing1.38Å1.38ÅAromatic
N17HN17sing1.01Å1.00Å
C18C24sing1.40Å1.45ÅAromatic
C18C19doub1.40Å1.46ÅAromatic
C19C27sing1.41Å1.44ÅAromatic
C19C20sing1.42Å1.40ÅAromatic
C20H20sing1.08Å1.08Å
C24C25doub1.40Å1.47ÅAromatic
C24H24sing1.08Å1.08Å
C25C26sing1.39Å1.48ÅAromatic
C25H25sing1.09Å1.08Å
C26C31sing1.50Å1.51Å
C26C27doub1.40Å1.46ÅAromatic
C27H27sing1.09Å1.08Å
C31N32sing1.46Å1.48Å
C31H311sing1.10Å1.10Å
C31H312sing1.10Å1.10Å
N32C35sing1.47Å1.48Å
N32C39sing1.47Å1.49Å
C35C36sing1.53Å1.52Å
C35H351sing1.10Å1.10Å
C35H352sing1.10Å1.10Å
C36C37sing1.53Å1.52Å
C36H361sing1.10Å1.10Å
C36H362sing1.10Å1.10Å
C37C48sing1.53Å1.55Å
C37C38sing1.53Å1.54Å
C37H37sing1.10Å1.10Å
C38C39sing1.53Å1.53Å
C38H381sing1.10Å1.10Å
C38H382sing1.10Å1.10Å
C39H391sing1.10Å1.10Å
C39H392sing1.10Å1.10Å
C48N50sing1.42Å1.48Å
C48H481sing1.08Å1.10Å
C48H482sing1.08Å1.10Å
N50H501sing1.01Å1.00Å
N50H502sing1.02Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C1C14120.2°118.9°
C6C1C2121.0°119.4°
C1C6C5122.3°120.8°
C1C6N11118.3°119.3°
C14C1C2118.7°121.7°
C1C14C13119.9°122.0°
C1C14H14120.1°117.3°
C1C2C3117.2°120.0°
C1C2H2121.4°120.9°
C3C2H2121.4°119.1°
C2C3C4121.2°120.2°
C2C3H3119.4°119.9°
C4C3H3119.4°119.9°
C3C4C5121.3°120.1°
C3C4H4119.4°120.0°
C5C4H4119.3°120.0°
C4C5C6116.9°119.5°
C4C5H5121.5°119.5°
C6C5H5121.6°120.9°
C5C6N11119.3°119.9°
C6N11C12122.6°123.8°
C6N11HN11118.7°117.9°
C12N11HN11118.7°118.4°
N11C12O1122.1°122.1°
N11C12C13120.9°116.9°
O1C12C13117.0°121.0°
C12C13C16119.8°118.5°
C12C13C14118.1°119.1°
C16C13C14122.1°122.3°
C13C16N17126.2°118.1°
C13C16C20126.2°133.9°
C13C14H14120.1°120.7°
N17C16C20107.5°108.0°
C16N17C18109.1°110.1°
C16N17HN17125.5°125.5°
C16C20C19109.1°107.7°
C16C20H20125.4°125.7°
C18N17HN17125.5°124.4°
N17C18C24129.1°130.2°
N17C18C19108.0°107.1°
C24C18C19122.9°122.7°
C18C24C25118.4°117.5°
C18C24H24120.8°121.5°
C18C19C27119.3°118.7°
C18C19C20106.1°107.1°
C27C19C20134.5°134.2°
C19C27C26118.6°118.9°
C19C27H27120.7°120.3°
C19C20H20125.4°126.6°
C25C24H24120.8°121.0°
C24C25C26118.1°120.7°
C24C25H25121.0°118.8°
C26C25H25121.0°120.5°
C25C26C31121.4°119.4°
C25C26C27122.7°121.5°
C31C26C27115.8°119.1°
C26C31N32108.0°112.0°
C26C31H311110.0°110.6°
C26C31H312110.3°111.0°
C26C27H27120.7°120.9°
N32C31H311110.0°107.9°
N32C31H312110.3°107.8°
C31N32C35108.0°110.5°
C31N32C39116.7°110.5°
H311C31H312108.3°107.3°
C35N32C39109.1°111.2°
N32C35C36107.2°111.1°
N32C35H351110.3°109.5°
N32C35H352110.7°110.7°
N32C39C38108.1°111.1°
N32C39H391109.9°110.7°
N32C39H392110.2°109.6°
C36C35H351110.2°108.3°
C36C35H352110.8°109.7°
C35C36C37111.0°111.3°
C35C36H361109.0°109.4°
C35C36H362108.6°109.5°
H351C35H352107.7°107.3°
C37C36H361109.0°109.8°
C37C36H362108.6°109.8°
C36C37C48108.6°111.1°
C36C37C38109.2°109.7°
C36C37H37110.8°108.6°
H361C36H362110.7°106.9°
C48C37C38111.1°111.1°
C48C37H37108.9°107.7°
C37C48N50109.3°109.8°
C37C48H481109.5°108.7°
C37C48H482109.6°109.0°
C38C37H37108.3°108.6°
C37C38C39109.7°111.3°
C37C38H381109.4°109.9°
C37C38H382109.3°109.9°
C39C38H381109.4°109.4°
C39C38H382109.4°109.4°
C38C39H391110.0°109.7°
C38C39H392110.3°108.3°
H381C38H382109.7°106.8°
H391C39H392108.4°107.3°
N50C48H481109.5°109.4°
N50C48H482109.6°109.3°
C48N50H501109.5°119.9°
C48N50H502109.5°119.9°
H481C48H482109.3°110.6°
H501N50H502109.4°118.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C1C14C2177.1°179.8°
C6C1C2C31.1°0.0°
C6C1C2H2178.9°179.9°
C1C6C5C40.4°0.0°
C1C6C5N11175.5°179.9°
C1C6C5H5179.6°180.0°
C1C6N11C120.5°0.1°
C1C6N11HN11179.5°179.7°
C6C1C14C132.2°0.1°
C6C1C14H14177.8°179.6°
C14C1C2C3176.1°179.8°
C14C1C2H24.0°0.1°
C14C1C6C5175.6°179.8°
C14C1C6N110.1°0.3°
C1C14C13C123.4°0.5°
C1C14C13C16175.1°179.6°
C1C14C13H14180.0°179.6°
C1C2C3H2180.0°179.9°
C1C2C3C41.2°0.0°
C1C2C3H3178.8°180.0°
C2C1C6C51.5°0.0°
C2C1C6N11177.0°179.9°
C2C1C14C13175.0°179.9°
C2C1C14H145.0°0.3°
C2C3C4H3180.0°180.0°
C2C3C4C53.1°0.1°
C2C3C4H4176.9°179.9°
H2C2C3C4178.9°179.9°
H2C2C3H31.1°0.1°
C3C4C5H4180.0°179.9°
C3C4C5C62.6°0.1°
C3C4C5H5177.4°179.9°
H3C3C4C5176.9°180.0°
H3C3C4H43.1°0.1°
C4C5C6H5180.0°180.0°
C4C5C6N11175.1°179.9°
H4C4C5C6177.3°180.0°
H4C4C5H52.7°0.1°
C5C6N11C12175.2°179.8°
C5C6N11HN114.8°0.2°
H5C5C6N114.9°0.1°
C6N11C12HN11180.0°179.6°
C6N11C12O1179.3°179.0°
C6N11C12C130.8°0.7°
N11C12O1C13179.9°179.6°
N11C12C13C16175.7°179.3°
N11C12C13C142.8°0.8°
HN11N11C12O10.7°0.6°
HN11N11C12C13179.2°179.8°
O1C12C13C164.2°1.1°
O1C12C13C14177.3°178.8°
C12C13C16C14178.5°179.9°
C12C13C14H14176.6°179.9°
C12C13C16N175.1°149.9°
C12C13C16C20177.2°30.1°
C16C13C14H144.9°0.0°
C13C16N17C20178.0°180.0°
C13C16N17C18179.6°180.0°
C13C16N17HN170.4°0.0°
C13C16C20C19178.7°180.0°
C13C16C20H201.3°0.0°
C14C13C16N17173.3°30.0°
C14C13C16C204.3°150.0°
C16N17C18HN17180.0°180.0°
C16N17C18C24178.5°180.0°
C16N17C18C190.8°0.0°
N17C16C20C193.2°0.0°
N17C16C20H20176.7°179.9°
C20C16N17C182.4°0.0°
C20C16N17HN17177.6°180.0°
C16C20C19C182.7°0.0°
C16C20C19C27178.3°180.0°
C16C20C19H20180.0°179.9°
N17C18C24C19179.2°179.9°
N17C18C19C27179.6°180.0°
N17C18C19C201.2°0.0°
N17C18C24C25179.2°179.9°
N17C18C24H240.7°0.0°
HN17N17C18C241.5°0.0°
HN17N17C18C19179.3°180.0°
C24C18C19C270.3°0.0°
C24C18C19C20179.4°180.0°
C18C24C25H24180.0°180.0°
C18C24C25C260.0°0.0°
C18C24C25H25180.0°180.0°
C18C19C27C20178.9°180.0°
C18C19C20H20177.3°179.9°
C19C18C24C250.1°0.0°
C19C18C24H24179.9°180.0°
C18C19C27C260.4°0.0°
C18C19C27H27179.6°180.0°
C27C19C20H201.7°0.1°
C19C27C26C250.4°0.0°
C19C27C26C31175.3°180.0°
C19C27C26H27180.0°180.0°
C20C19C27C26179.3°180.0°
C20C19C27H270.7°0.0°
C24C25C26H25180.0°180.0°
C24C25C26C31175.3°180.0°
C24C25C26C270.2°0.0°
H24C24C25C26180.0°180.0°
H24C24C25H250.0°0.0°
C25C26C31C27175.8°180.0°
C25C26C27H27179.6°180.0°
C25C26C31N3282.4°135.0°
C25C26C31H311157.6°104.5°
C25C26C31H31238.2°14.4°
H25C25C26C314.7°0.0°
H25C25C26C27179.8°180.0°
C31C26C27H274.7°0.0°
C26C31N32H311120.0°122.0°
C26C31N32H312120.6°122.4°
C26C31H311H312120.6°121.2°
C26C31N32C35117.4°60.0°
C26C31N32C39119.3°176.6°
C27C26C31N3293.4°45.0°
C27C26C31H31126.6°75.5°
C27C26C31H312145.9°165.6°
N32C31H311H312120.6°115.9°
C31N32C35C39127.8°123.0°
C31N32C35C36165.8°177.8°
C31N32C35H35174.2°58.2°
C31N32C35H35244.9°60.0°
C31N32C39C38170.8°177.8°
C31N32C39H39150.7°60.0°
C31N32C39H39268.7°58.2°
H311C31N32C35122.6°178.0°
H311C31N32C390.7°54.5°
H312C31N32C353.2°62.4°
H312C31N32C39120.1°61.0°
N32C35C36H351120.0°120.3°
N32C35C36H352120.9°122.8°
N32C35H351H352120.9°120.2°
N32C35C36C3761.4°56.3°
N32C35C36H361178.6°177.9°
N32C35C36H36257.9°65.3°
C35N32C39C3866.5°59.1°
C35N32C39H391173.5°63.0°
C35N32C39H39254.1°178.8°
C39N32C35C3666.4°59.2°
C39N32C35H35153.6°178.8°
C39N32C35H352172.7°63.1°
N32C39C38C3759.7°56.3°
N32C39C38H391120.0°122.8°
N32C39C38H392120.5°120.4°
N32C39C38H38160.3°65.4°
N32C39C38H382179.6°177.9°
N32C39H391H392120.5°119.5°
C36C35H351H352120.9°118.4°
C35C36C37H361120.0°121.4°
C35C36C37H362119.4°121.4°
C35C36H361H362119.4°118.4°
C35C36C37C48177.2°175.9°
C35C36C37C3855.9°52.7°
C35C36C37H3763.3°65.8°
H351C35C36C3758.6°176.6°
H351C35C36H36161.4°61.8°
H351C35C36H362177.9°55.0°
H352C35C36C37177.7°66.6°
H352C35C36H36157.7°55.0°
H352C35C36H36263.0°171.9°
C37C36H361H362119.4°119.1°
C36C37C48C38120.1°122.4°
C36C37C48H37120.8°118.8°
C36C37C38H37120.7°118.5°
C36C37C38C3954.7°52.7°
C36C37C38H38165.3°68.7°
C36C37C38H382174.6°174.1°
C36C37C48N5057.4°60.4°
C36C37C48H48162.6°180.0°
C36C37C48H482177.5°59.4°
H361C36C37C4862.8°62.7°
H361C36C37C38175.9°174.1°
H361C36C37H3756.7°55.6°
H362C36C37C4857.8°54.5°
H362C36C37C3863.5°68.7°
H362C36C37H37177.3°172.8°
C48C37C38H37119.5°118.3°
C48C37C38C39174.4°175.9°
C48C37C38H38154.4°54.5°
C48C37C38H38265.7°62.7°
C37C48N50H481120.0°119.3°
C37C48N50H482120.1°119.6°
C37C48H481H482120.1°119.6°
C37C48N50H501152.0°84.2°
C37C48N50H50232.0°82.4°
C37C38C39H381120.0°121.7°
C37C38C39H382119.9°121.6°
C37C38H381H382119.9°119.1°
C37C38C39H391179.7°66.5°
C37C38C39H39260.8°176.7°
C38C37C48N50177.5°177.2°
C38C37C48H48157.5°57.5°
C38C37C48H48262.4°63.1°
H37C37C38C3966.1°65.8°
H37C37C38H381173.9°172.8°
H37C37C38H38253.8°55.6°
H37C37C48N5063.4°58.4°
H37C37C48H481176.6°61.2°
H37C37C48H48256.7°178.2°
C39C38H381H382119.9°118.3°
C38C39H391H392120.6°117.5°
H381C38C39H39159.7°171.8°
H381C38C39H392179.2°55.0°
H382C38C39H39160.4°55.1°
H382C38C39H39259.1°61.7°
N50C48H481H482120.1°120.4°
C48N50H501H502120.0°166.7°
H481C48N50H50132.0°156.6°
H481C48N50H50288.0°36.8°
H482C48N50H50187.9°35.4°
H482C48N50H502152.1°158.0°

222415

PDB entries from 2024-07-10

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