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HWG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.40ÅAromatic
C1C6sing1.38Å1.38ÅAromatic
C1C26sing1.51Å1.48Å
C2C3sing1.40Å1.47ÅAromatic
C2H2sing1.08Å1.10Å
C3C4doub1.40Å1.45ÅAromatic
C3C38sing1.48Å1.58Å
C4C5sing1.38Å1.44ÅAromatic
C4H4sing1.08Å1.10Å
C5C6doub1.38Å1.42ÅAromatic
C5C30sing1.51Å1.49Å
C6H6sing1.08Å1.10Å
C7C8doub1.37Å1.40ÅAromatic
C7C12sing1.40Å1.42ÅAromatic
C7H7sing1.08Å1.10Å
C8C9sing1.40Å1.41ÅAromatic
C8H8sing1.08Å1.10Å
C9C10doub1.39Å1.52ÅAromatic
C9O13sing1.36Å1.39Å
C10C11sing1.39Å1.41ÅAromatic
C10O16sing1.36Å1.41Å
C11C12doub1.39Å1.56ÅAromatic
C11C34sing1.51Å1.48Å
C12C39sing1.48Å1.47Å
O13C14sing1.42Å1.43Å
C14C15sing1.53Å1.54Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.12Å
C15O16sing1.42Å1.42Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.12Å
C26H261sing1.09Å1.12Å
C26H262sing1.09Å1.11Å
C26H263sing1.09Å1.12Å
C30H301sing1.09Å1.12Å
C30H302sing1.09Å1.11Å
C30H303sing1.09Å1.12Å
C34H341sing1.09Å1.12Å
C34H342sing1.09Å1.11Å
C34H343sing1.09Å1.11Å
C38N40sing1.35Å1.44Å
C38O42doub1.22Å1.21Å
C39N41sing1.35Å1.39Å
C39O43doub1.22Å1.22Å
N40N41sing1.40Å1.36Å
N40C45sing1.46Å1.57Å
N41H41sing0.97Å1.02Å
C45C46sing1.53Å1.54Å
C45C50sing1.53Å1.54Å
C45C54sing1.53Å1.52Å
C46H461sing1.09Å1.11Å
C46H462sing1.09Å1.12Å
C46H463sing1.09Å1.11Å
C50H501sing1.09Å1.11Å
C50H502sing1.09Å1.12Å
C50H503sing1.09Å1.12Å
C54H541sing1.09Å1.11Å
C54H542sing1.09Å1.12Å
C54H543sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6118.7°120.2°
C2C1C26121.4°119.9°
C1C2C3122.7°119.8°
C1C2H2116.2°120.1°
C6C1C26119.8°120.0°
C1C6C5122.6°120.3°
C1C6H6117.3°119.8°
C1C26H261108.0°109.5°
C1C26H262121.4°109.5°
C1C26H263108.0°109.4°
C3C2H2121.1°120.1°
C2C3C4116.3°119.7°
C2C3C38122.3°120.1°
C4C3C38121.4°120.2°
C3C4C5120.1°119.8°
C3C4H4120.3°120.1°
C3C38N40117.8°120.0°
C3C38O42120.7°120.0°
C5C4H4119.5°120.1°
C4C5C6119.5°120.1°
C4C5C30120.3°119.9°
C6C5C30120.2°120.0°
C5C6H6120.1°119.8°
C5C30H301108.3°109.5°
C5C30H302120.3°109.5°
C5C30H303108.3°109.5°
C8C7C12121.0°119.7°
C8C7H7118.8°120.2°
C7C8C9121.1°120.8°
C7C8H8118.9°119.6°
C12C7H7120.2°120.1°
C7C12C11119.5°119.6°
C7C12C39116.6°120.3°
C9C8H8120.0°119.6°
C8C9C10122.2°119.7°
C8C9O13120.8°116.5°
C10C9O13117.0°123.8°
C9C10C11116.6°119.7°
C9C10O16118.5°123.7°
C9O13C14120.7°108.9°
C11C10O16124.8°116.6°
C10C11C12119.7°120.5°
C10C11C34117.4°119.7°
C10O16C15112.6°108.9°
C12C11C34122.9°119.7°
C11C12C39123.8°120.2°
C11C34H341109.3°109.4°
C11C34H342117.4°109.5°
C11C34H343109.3°109.5°
C12C39N41122.0°120.0°
C12C39O43118.3°120.0°
O13C14C15115.5°108.1°
O13C14H141110.0°109.7°
O13C14H142110.0°109.7°
C15C14H141110.0°109.7°
C15C14H142110.0°109.7°
C14C15O16112.3°108.2°
C14C15H151111.2°109.7°
C14C15H152111.2°109.8°
H141C14H142100.2°109.7°
O16C15H151111.2°109.7°
O16C15H152111.2°109.7°
H151C15H15299.2°109.7°
H261C26H262107.9°109.5°
H261C26H263101.9°109.5°
H262C26H263107.9°109.4°
H301C30H302108.3°109.4°
H301C30H303101.6°109.5°
H302C30H303108.3°109.4°
H341C34H342109.4°109.5°
H341C34H343100.8°109.4°
H342C34H343109.3°109.5°
N40C38O42121.0°119.9°
C38N40N41114.9°120.0°
C38N40C45119.8°120.0°
N41C39O43119.3°120.0°
C39N41N40121.4°120.1°
C39N41H41120.5°120.0°
N41N40C45125.1°120.0°
N40N41H41118.1°119.9°
N40C45C46114.6°109.5°
N40C45C50109.3°109.5°
N40C45C54112.3°109.5°
C46C45C50106.0°109.4°
C46C45C54104.6°109.4°
C45C46H461110.3°109.5°
C45C46H462114.6°109.5°
C45C46H463110.3°109.5°
C50C45C54109.8°109.5°
C45C50H501112.3°109.5°
C45C50H502109.3°109.5°
C45C50H503112.3°109.5°
C45C54H541111.2°109.5°
C45C54H542112.3°109.4°
C45C54H543111.1°109.5°
H461C46H462110.4°109.4°
H461C46H46399.9°109.5°
H462C46H463110.4°109.4°
H501C50H502112.2°109.4°
H501C50H50398.2°109.5°
H502C50H503112.3°109.5°
H541C54H542111.1°109.5°
H541C54H54399.2°109.5°
H542C54H543111.2°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6C26179.6°179.7°
C1C2C3H2180.0°179.6°
C1C2C3C40.7°0.5°
C1C2C3C38178.4°179.8°
C2C1C6C50.5°0.3°
C2C1C6H6179.5°179.8°
C2C1C26H26154.7°90.3°
C2C1C26H262180.0°29.8°
C2C1C26H26354.7°149.7°
C6C1C2C30.0°0.5°
C6C1C2H2180.0°179.9°
C1C6C5C40.1°0.1°
C1C6C5H6180.0°179.9°
C1C6C5C30179.5°180.0°
C6C1C26H261125.7°90.0°
C6C1C26H2620.4°149.9°
C6C1C26H263124.9°30.0°
C26C1C2C3179.6°179.8°
C26C1C2H20.4°0.2°
C26C1C6C5179.2°180.0°
C26C1C6H60.8°0.1°
C1C26H261H262132.9°120.1°
C1C26H261H263113.6°119.9°
C1C26H262H263125.3°119.9°
C2C3C4C38177.8°179.7°
C2C3C4C51.0°0.3°
C2C3C4H4179.0°179.8°
C2C3C38N40100.4°8.9°
C2C3C38O4271.0°171.2°
H2C2C3C4179.3°179.9°
H2C2C3C381.6°0.2°
C3C4C5H4180.0°179.9°
C3C4C5C60.6°0.1°
C3C4C5C30179.7°180.0°
C4C3C38N4077.2°171.4°
C4C3C38O42111.4°8.5°
C38C3C4C5178.8°180.0°
C38C3C4H41.2°0.1°
C3C38N40O42171.4°179.9°
C3C38N40N418.5°16.7°
C3C38N40C45166.1°163.3°
C4C5C6C30179.7°180.0°
C4C5C6H6179.9°180.0°
C4C5C30H30154.8°89.9°
C4C5C30H302180.0°30.1°
C4C5C30H30354.7°150.0°
H4C4C5C6179.4°180.0°
H4C4C5C300.3°0.0°
C6C5C30H301124.9°90.0°
C6C5C30H3020.4°150.0°
C6C5C30H303125.6°30.0°
C30C5C6H60.5°0.0°
C5C30H301H302132.0°120.0°
C5C30H301H303114.0°120.0°
C5C30H302H303125.2°120.0°
C8C7C12H7180.0°180.0°
C7C8C9H8180.0°179.9°
C7C8C9C100.4°0.2°
C7C8C9O13179.7°179.5°
C8C7C12C110.1°0.3°
C8C7C12C39176.4°179.9°
C12C7C8C90.5°0.0°
C12C7C8H8179.5°179.9°
C7C12C11C100.3°0.5°
C7C12C11C39176.0°179.7°
C7C12C11C34179.1°179.8°
C7C12C39N4140.8°1.3°
C7C12C39O43131.9°178.7°
H7C7C8C9179.6°180.0°
H7C7C8H80.5°0.1°
H7C7C12C11179.9°179.6°
H7C7C12C393.6°0.1°
C8C9C10O13179.2°179.7°
C8C9C10C110.0°0.1°
C8C9C10O16179.7°179.6°
C8C9O13C14162.7°161.5°
H8C8C9C10179.5°179.8°
H8C8C9O130.3°0.4°
C9C10C11O16179.7°179.7°
C9C10C11C120.3°0.3°
C9C10C11C34179.2°180.0°
C10C9O13C1418.1°18.8°
C9C10O16C1536.5°18.6°
O13C9C10C11179.3°179.6°
O13C9C10O161.0°0.7°
C9O13C14C151.9°51.3°
C9O13C14H141123.4°68.4°
C9O13C14H142127.1°170.9°
C10C11C12C34178.8°179.7°
C10C11C12C39175.7°179.8°
C11C10O16C15143.1°161.8°
C10C11C34H34154.7°97.8°
C10C11C34H342180.0°142.3°
C10C11C34H34354.7°22.2°
O16C10C11C12179.4°180.0°
O16C10C11C340.5°0.4°
C10O16C15C1455.9°51.0°
C10O16C15H151178.9°170.7°
C10O16C15H15269.4°68.7°
C12C11C34H341126.4°82.6°
C12C11C34H3421.2°37.4°
C12C11C34H343124.1°157.5°
C11C12C39N41143.1°178.9°
C11C12C39O4344.1°1.1°
C34C11C12C393.1°0.1°
C11C34H341H342129.8°120.0°
C11C34H341H343115.1°119.9°
C11C34H342H343125.2°120.1°
C12C39N41O43172.7°180.0°
C12C39N41N40170.7°180.0°
C12C39N41H419.4°0.0°
O13C14C15H141125.3°119.7°
O13C14C15H142125.3°119.7°
O13C14H141H142115.8°120.7°
O13C14C15O1639.5°71.9°
O13C14C15H151164.8°168.4°
O13C14C15H15285.7°47.8°
C15C14H141H142115.8°120.7°
C14C15O16H151125.2°119.7°
C14C15O16H152125.3°119.7°
C14C15H151H152117.0°120.7°
H141C14C15O1685.7°47.7°
H141C14C15H15139.5°71.9°
H141C14C15H152149.0°167.4°
H142C14C15O16164.8°168.4°
H142C14C15H15169.9°48.7°
H142C14C15H15239.5°71.9°
O16C15H151H152117.1°120.6°
H261C26H262H263109.4°120.0°
H301C30H302H303109.5°120.0°
H341C34H342H343109.5°120.0°
C38N40N41C3994.6°55.0°
C38N40N41C45174.2°180.0°
C38N40N41H4185.4°125.0°
C38N40C45C46178.2°174.7°
C38N40C45C5059.4°65.3°
C38N40C45C5462.7°54.7°
O42C38N40N41179.9°163.2°
O42C38N40C455.3°16.8°
C39N41N40H41180.0°180.0°
C39N41N40C4579.6°125.0°
O43C39N41N402.0°0.0°
O43C39N41H41178.0°180.0°
N41N40C45C464.2°5.3°
N41N40C45C50114.6°114.7°
N41N40C45C54123.4°125.3°
C45N40N41H41100.4°55.0°
N40C45C46C50120.6°120.1°
N40C45C46C54123.4°120.0°
N40C45C50C54123.6°120.1°
N40C45C46H46154.7°60.0°
N40C45C46H462180.0°60.0°
N40C45C46H46354.7°180.0°
N40C45C50H50154.8°60.0°
N40C45C50H502180.0°180.0°
N40C45C50H50354.7°60.0°
N40C45C54H54154.8°176.6°
N40C45C54H542180.0°63.4°
N40C45C54H54354.7°56.6°
C46C45C50C54112.4°119.9°
C45C46H461H462127.7°120.0°
C45C46H461H463116.1°120.1°
C45C46H462H463125.3°120.0°
C46C45C50H50169.2°180.0°
C46C45C50H50256.0°60.0°
C46C45C50H503178.7°60.0°
C46C45C54H541179.6°56.6°
C46C45C54H54255.1°176.6°
C46C45C54H54370.1°63.4°
C50C45C46H461175.3°180.0°
C50C45C46H46259.4°60.0°
C50C45C46H46365.9°59.9°
C45C50H501H502123.6°120.0°
C45C50H501H503118.2°120.0°
C45C50H502H503125.3°120.0°
C50C45C54H54167.1°63.3°
C50C45C54H54258.2°56.7°
C50C45C54H543176.6°176.6°
C54C45C46H46168.7°60.0°
C54C45C46H46256.6°180.0°
C54C45C46H463178.1°60.0°
C54C45C50H501178.4°60.1°
C54C45C50H50256.4°59.9°
C54C45C50H50368.9°179.9°
C45C54H541H542125.9°120.0°
C45C54H541H543117.0°120.0°
C45C54H542H543125.2°120.0°
H461C46H462H463109.4°119.9°
H501C50H502H503109.5°120.0°
H541C54H542H543109.5°120.0°

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PDB entries from 2024-07-10

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