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O58

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6C1doub1.39Å1.42ÅAromatic
C2C1sing1.38Å1.40ÅAromatic
C1H1sing1.08Å1.08Å
C3C2doub1.38Å1.40ÅAromatic
C2H2sing1.08Å1.08Å
C4C3sing1.38Å1.40ÅAromatic
CL12C3sing1.74Å1.72Å
C4C5doub1.38Å1.41ÅAromatic
C4H4sing1.08Å1.08Å
C13C5sing1.51Å1.50Å
C5C6sing1.39Å1.42ÅAromatic
C6N7sing1.40Å1.45Å
C8N7sing1.35Å1.38ÅAromatic
N7N11sing1.41Å1.36ÅAromatic
C8N9doub1.31Å1.31ÅAromatic
C8H8sing1.08Å1.08Å
N9N10sing1.28Å1.36ÅAromatic
N10N11doub1.29Å1.32ÅAromatic
C13C14sing1.53Å1.52Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C15C14sing1.51Å1.50Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
N16C15sing1.35Å1.38Å
C15O17doub1.21Å1.22Å
C18N16sing1.47Å1.48Å
N16HN16sing0.97Å1.00Å
C28C18sing1.53Å1.55Å
C18C19sing1.51Å1.54Å
C18H18sing1.09Å1.10Å
O20C19doub1.21Å1.24Å
C19N21sing1.35Å1.38Å
N21C22sing1.40Å1.41Å
N21HN21sing0.97Å1.00Å
C22C27doub1.39Å1.40ÅAromatic
C22C23sing1.39Å1.39ÅAromatic
C23C24doub1.38Å1.40ÅAromatic
C23H23sing1.08Å1.08Å
C24C25sing1.38Å1.39ÅAromatic
C24H24sing1.08Å1.08Å
C26C25doub1.38Å1.40ÅAromatic
C25C35sing1.51Å1.51Å
C27C26sing1.38Å1.41ÅAromatic
C26H26sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
C29C28sing1.51Å1.52Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C34C29doub1.38Å1.40ÅAromatic
C29C30sing1.38Å1.41ÅAromatic
C31C30doub1.38Å1.40ÅAromatic
C30H30sing1.08Å1.08Å
C32C31sing1.38Å1.40ÅAromatic
C31H31sing1.08Å1.08Å
C33C32doub1.38Å1.39ÅAromatic
C32H32sing1.08Å1.08Å
C33C34sing1.38Å1.41ÅAromatic
C33H33sing1.08Å1.08Å
C34H34sing1.08Å1.08Å
C36C35sing1.51Å1.51Å
C35H35sing1.09Å1.10Å
C35H35Asing1.09Å1.10Å
O38C36doub1.21Å1.22Å
C36O37sing1.34Å1.35Å
O37HO37sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C1C2121.4°119.9°
C6C1H1119.3°120.1°
C1C6C5117.8°119.9°
C1C6N7120.6°120.0°
C2C1H1119.3°120.0°
C1C2C3119.8°120.0°
C1C2H2120.1°120.0°
C3C2H2120.1°119.9°
C2C3C4119.9°120.1°
C2C3CL12121.4°120.0°
C4C3CL12118.7°119.9°
C3C4C5121.2°120.0°
C3C4H4119.4°120.0°
C5C4H4119.4°120.0°
C4C5C13114.4°120.0°
C4C5C6119.8°119.9°
C13C5C6125.8°120.0°
C5C13C14110.8°109.5°
C5C13H13109.0°109.5°
C5C13H13A109.1°109.4°
C5C6N7121.5°120.1°
C6N7C8128.9°127.4°
C6N7N11125.6°127.3°
C8N7N11105.4°105.3°
N7C8N9110.5°107.3°
N7C8H8124.8°126.4°
N7N11N10107.9°106.6°
N9C8H8124.8°126.3°
C8N9N10105.6°110.6°
N9N10N11110.5°110.2°
C14C13H13109.0°109.5°
C14C13H13A109.0°109.5°
C13C14C15111.1°109.5°
C13C14H14108.9°109.5°
C13C14H14A108.9°109.4°
H13C13H13A109.9°109.5°
C15C14H14108.9°109.5°
C15C14H14A108.9°109.5°
C14C15N16117.4°120.0°
C14C15O17120.5°120.0°
H14C14H14A110.0°109.5°
N16C15O17122.2°120.0°
C15N16C18118.1°120.0°
C15N16HN16120.9°120.0°
C18N16HN16121.0°120.0°
N16C18C28116.7°109.5°
N16C18C19107.2°109.5°
N16C18H18105.6°109.4°
C28C18C19107.9°109.5°
C28C18H18104.9°109.5°
C18C28C29114.5°109.5°
C18C28H28107.9°109.4°
C18C28H28A107.8°109.5°
C19C18H18114.8°109.5°
C18C19O20119.8°120.0°
C18C19N21110.7°120.0°
O20C19N21129.5°120.0°
C19N21C22132.6°120.0°
C19N21HN21113.7°120.0°
C22N21HN21113.7°120.0°
N21C22C27120.0°120.1°
N21C22C23121.5°120.0°
C27C22C23118.5°119.9°
C22C27C26120.1°119.9°
C22C27H27120.0°120.1°
C22C23C24121.5°119.9°
C22C23H23119.3°120.1°
C24C23H23119.2°120.1°
C23C24C25120.4°120.1°
C23C24H24119.8°119.9°
C25C24H24119.8°120.0°
C24C25C26118.3°120.2°
C24C25C35120.2°119.9°
C26C25C35121.5°119.9°
C25C26C27121.2°120.0°
C25C26H26119.4°120.0°
C25C35C36116.0°109.5°
C25C35H35107.3°109.5°
C25C35H35A107.4°109.4°
C27C26H26119.4°120.0°
C26C27H27120.0°120.0°
C29C28H28107.8°109.5°
C29C28H28A107.9°109.5°
C28C29C34120.3°120.0°
C28C29C30122.0°120.0°
H28C28H28A111.1°109.5°
C34C29C30117.8°120.0°
C29C34C33121.7°120.0°
C29C34H34119.1°120.0°
C29C30C31120.8°120.0°
C29C30H30119.6°120.0°
C31C30H30119.6°120.0°
C30C31C32120.3°120.0°
C30C31H31119.9°120.0°
C32C31H31119.8°120.0°
C31C32C33119.9°120.0°
C31C32H32120.1°120.0°
C33C32H32120.1°120.1°
C32C33C34119.5°120.1°
C32C33H33120.3°119.9°
C34C33H33120.2°120.0°
C33C34H34119.2°120.0°
C36C35H35107.4°109.5°
C36C35H35A107.3°109.5°
C35C36O38128.9°120.0°
C35C36O37110.6°120.0°
H35C35H35A111.5°109.4°
O38C36O37120.5°120.0°
C36O37HO37109.5°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C1C2H1180.0°179.7°
C6C1C2C30.6°0.3°
C6C1C2H2179.4°179.8°
C1C6C5C40.6°0.6°
C1C6C5C13179.3°179.7°
C1C6C5N7177.6°179.4°
C1C6N7C847.9°4.6°
C1C6N7N11135.4°175.6°
C1C2C3H2180.0°179.9°
C1C2C3C41.4°0.1°
C1C2C3CL12179.8°180.0°
C2C1C6C50.4°0.6°
C2C1C6N7178.0°180.0°
H1C1C2C3179.4°179.9°
H1C1C2H20.6°0.0°
H1C1C6C5179.6°179.7°
H1C1C6N72.0°0.2°
C2C3C4CL12178.4°180.0°
C2C3C4C51.2°0.0°
C2C3C4H4178.8°180.0°
H2C2C3C4178.6°180.0°
H2C2C3CL120.2°0.1°
C3C4C5H4180.0°180.0°
C3C4C5C13179.9°179.9°
C3C4C5C60.2°0.3°
CL12C3C4C5179.7°180.0°
CL12C3C4H40.4°0.0°
C4C5C13C6179.9°179.8°
C4C5C6N7178.2°180.0°
C4C5C13C1494.0°102.5°
C4C5C13H1326.0°17.5°
C4C5C13H13A146.0°137.5°
H4C4C5C130.1°0.0°
H4C4C5C6179.8°179.7°
C13C5C6N71.7°0.2°
C5C13C14H13120.0°120.0°
C5C13C14H13A120.0°119.9°
C5C13H13H13A119.5°119.9°
C5C13C14C15171.0°176.3°
C5C13C14H1469.0°63.7°
C5C13C14H14A51.0°56.3°
C5C6N7C8129.6°174.8°
C5C6N7N1147.0°4.9°
C6C5C13C1486.1°77.7°
C6C5C13H13153.9°162.2°
C6C5C13H13A33.9°42.3°
C6N7C8N11177.2°179.8°
C6N7C8N9178.9°180.0°
C6N7C8H81.1°0.1°
C6N7N11N10179.0°179.8°
N7C8N9H8180.0°179.9°
N7C8N9N101.1°0.1°
C8N7N11N101.7°0.4°
N11N7C8N91.7°0.2°
N11N7C8H8178.3°179.7°
N7N11N10N91.1°0.4°
C8N9N10N110.0°0.3°
H8C8N9N10178.9°180.0°
C14C13H13H13A119.5°120.0°
C13C14C15H14120.0°120.0°
C13C14C15H14A120.0°120.0°
C13C14H14H14A119.4°120.0°
C13C14C15N1638.5°173.3°
C13C14C15O17141.1°6.7°
H13C13C14C1551.0°56.3°
H13C13C14H14171.0°176.2°
H13C13C14H14A69.0°63.8°
H13AC13C14C1569.0°63.8°
H13AC13C14H1451.0°56.2°
H13AC13C14H14A171.0°176.2°
C15C14H14H14A119.3°120.1°
C14C15N16O17179.6°180.0°
C14C15N16C18179.3°175.1°
C14C15N16HN160.7°4.9°
H14C14C15N1681.5°53.3°
H14C14C15O1798.9°126.7°
H14AC14C15N16158.5°66.7°
H14AC14C15O1721.1°113.2°
C15N16C18HN16180.0°180.0°
C15N16C18C28150.5°89.0°
C15N16C18C1988.5°151.0°
C15N16C18H1834.4°31.0°
O17C15N16C180.3°4.9°
O17C15N16HN16179.7°175.1°
N16C18C28C19120.7°120.0°
N16C18C28H18116.4°120.0°
N16C18C19H18117.0°119.9°
N16C18C19O2064.6°0.0°
N16C18C19N21116.2°180.0°
N16C18C28C29179.0°66.4°
N16C18C28H2861.1°53.6°
N16C18C28H28A58.9°173.6°
HN16N16C18C2829.5°91.0°
HN16N16C18C1991.5°29.1°
HN16N16C18H18145.6°149.0°
C28C18C19H18116.6°120.0°
C28C18C19O2061.9°120.0°
C28C18C19N21117.3°60.0°
C18C28C29H28120.0°120.0°
C18C28C29H28A120.0°120.0°
C18C28H28H28A117.9°120.0°
C18C28C29C34134.0°84.1°
C18C28C29C3046.5°96.3°
C18C19O20N21179.1°180.0°
C18C19N21C22179.2°175.4°
C18C19N21HN210.7°4.6°
C19C18C28C2958.2°173.6°
C19C18C28H28178.2°66.4°
C19C18C28H28A61.8°53.6°
H18C18C19O20178.5°120.0°
H18C18C19N210.8°60.1°
H18C18C28C2964.6°53.6°
H18C18C28H2855.4°173.6°
H18C18C28H28A175.4°66.5°
O20C19N21C220.1°4.6°
O20C19N21HN21179.9°175.3°
C19N21C22HN21180.0°180.0°
C19N21C22C2715.9°34.2°
C19N21C22C23164.3°145.4°
N21C22C27C23179.7°179.7°
N21C22C23C24179.2°180.0°
N21C22C23H230.8°0.1°
N21C22C27C26179.8°179.7°
N21C22C27H270.2°0.0°
HN21N21C22C27164.1°145.8°
HN21N21C22C2315.7°34.6°
C27C22C23C240.5°0.3°
C27C22C23H23179.5°179.8°
C22C27C26C250.1°0.6°
C22C27C26H27180.0°179.7°
C22C27C26H26179.9°179.7°
C22C23C24H23180.0°179.9°
C22C23C24C251.0°0.1°
C22C23C24H24179.0°180.0°
C23C22C27C260.1°0.6°
C23C22C27H27180.0°179.7°
C23C24C25H24180.0°179.9°
C23C24C25C260.9°0.1°
C23C24C25C35179.7°180.0°
H23C23C24C25179.0°180.0°
H23C23C24H241.0°0.1°
C24C25C26C35179.4°179.9°
C24C25C26C270.3°0.4°
C24C25C26H26179.6°179.9°
C24C25C35C36130.0°90.0°
C24C25C35H35110.0°149.9°
C24C25C35H35A10.0°30.0°
H24C24C25C26179.1°180.0°
H24C24C25C350.3°0.1°
C25C26C27H26180.0°179.7°
C25C26C27H27179.9°179.7°
C26C25C35C3650.6°90.1°
C26C25C35H3569.3°30.0°
C26C25C35H35A170.6°149.9°
C35C25C26C27179.7°179.7°
C35C25C26H260.3°0.0°
C25C35C36H35120.0°120.1°
C25C35C36H35A120.0°120.0°
C25C35H35H35A117.3°119.9°
C25C35C36O3865.5°0.1°
C25C35C36O37115.0°180.0°
H26C26C27H270.1°0.0°
C29C28H28H28A118.0°120.1°
C28C29C34C30179.6°179.7°
C28C29C30C31179.8°180.0°
C28C29C30H300.2°0.1°
C28C29C34C33179.6°179.7°
C28C29C34H340.4°0.3°
H28C28C29C34106.0°156.0°
H28C28C29C3073.5°23.7°
H28AC28C29C3414.0°36.0°
H28AC28C29C30166.5°143.7°
C34C29C30C310.6°0.4°
C34C29C30H30179.4°179.7°
C29C34C33C320.1°0.6°
C29C34C33H34180.0°179.4°
C29C34C33H33179.9°179.6°
C29C30C31H30180.0°179.9°
C29C30C31C321.1°0.1°
C29C30C31H31178.9°180.0°
C30C29C34C330.0°0.6°
C30C29C34H34180.0°180.0°
C30C31C32H31180.0°179.9°
C30C31C32C330.9°0.1°
C30C31C32H32179.1°180.0°
H30C30C31C32179.0°180.0°
H30C30C31H311.1°0.1°
C31C32C33H32180.0°180.0°
C31C32C33C340.3°0.3°
C31C32C33H33179.7°179.9°
H31C31C32C33179.1°180.0°
H31C31C32H320.9°0.0°
C32C33C34H33180.0°179.8°
C32C33C34H34179.9°180.0°
H32C32C33C34179.7°179.7°
H32C32C33H330.3°0.1°
H33C33C34H340.1°0.2°
C36C35H35H35A117.3°120.0°
C35C36O38O37179.4°179.9°
C35C36O37HO37179.5°180.0°
H35C35C36O38174.5°120.0°
H35C35C36O375.0°59.9°
H35AC35C36O3854.5°120.0°
H35AC35C36O37125.0°60.0°
O38C36O37HO370.0°0.1°

222415

PDB entries from 2024-07-10

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