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SummaryGeometryRelated PDB entries

D71

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C1C2sing1.39Å1.35ÅAromatic
C1H1sing1.08Å1.08Å
C2C16sing1.47Å1.46Å
C3C2doub1.41Å1.48ÅAromatic
C3N13sing1.39Å1.43Å
C5C6sing1.39Å1.36ÅAromatic
C5N4doub1.32Å1.41ÅAromatic
C5H5sing1.08Å1.08Å
C6C1doub1.38Å1.48ÅAromatic
C6H6sing1.08Å1.08Å
C14N15sing1.34Å1.44Å
C14O52doub1.21Å1.24Å
N54O56doub1.22Å1.36Å
O58N54sing1.22Å1.34Å
C40N54sing1.48Å1.40Å
C40C39sing1.38Å1.36ÅAromatic
C39H39sing1.08Å1.08Å
C41C40doub1.38Å1.48ÅAromatic
C41H41sing1.08Å1.08Å
C42C41sing1.38Å1.34ÅAromatic
C42C43doub1.38Å1.47ÅAromatic
C42H42sing1.08Å1.08Å
C43C22sing1.39Å1.36ÅAromatic
C43H43sing1.08Å1.08Å
C22C39doub1.39Å1.47ÅAromatic
C22N13sing1.40Å1.47Å
N13C14sing1.34Å1.45Å
N4C3sing1.32Å1.32ÅAromatic
N15C24sing1.47Å1.50Å
C16N15sing1.35Å1.42Å
C16O50doub1.22Å1.26Å
C24C26sing1.51Å1.51Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C26C32sing1.39Å1.36ÅAromatic
C32C31doub1.38Å1.48ÅAromatic
C32H32sing1.08Å1.08Å
C31H31sing1.08Å1.08Å
N30C31sing1.32Å1.30ÅAromatic
C29N30doub1.32Å1.42ÅAromatic
C29H29sing1.08Å1.08Å
C28C26doub1.39Å1.49ÅAromatic
C28C29sing1.38Å1.34ÅAromatic
C28H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C2C1H1119.9°121.1°
C1C2C16121.7°122.0°
C1C2C3118.2°119.5°
C2C1C6120.1°117.9°
H1C1C6120.0°121.1°
C16C2C3120.1°118.5°
C2C16N15120.3°118.2°
C2C16O50119.2°120.9°
C2C3N13118.2°118.5°
C2C3N4120.9°120.1°
C3N13C22121.8°119.6°
C3N13C14120.6°120.8°
N13C3N4120.9°121.5°
C6C5N4120.5°121.5°
C6C5H5119.7°119.2°
C5C6C1118.9°119.5°
C5C6H6120.5°120.3°
N4C5H5119.8°119.3°
C5N4C3121.5°121.6°
C1C6H6120.6°120.3°
N15C14O52119.7°118.6°
N15C14N13121.3°122.9°
C14N15C24119.2°119.4°
C14N15C16119.4°121.1°
O52C14N13119.0°118.5°
O56N54O58119.7°120.0°
O56N54C40119.2°120.0°
O58N54C40118.2°120.0°
N54C40C39121.0°120.0°
N54C40C41119.5°120.0°
C40C39H39120.2°120.0°
C39C40C41119.4°120.0°
C40C39C22119.6°120.0°
H39C39C22120.2°120.0°
C40C41H41119.5°119.9°
C40C41C42121.0°120.2°
H41C41C42119.5°119.9°
C41C42C43119.6°120.0°
C41C42H42120.2°120.0°
C43C42H42120.2°120.0°
C42C43C22120.1°120.0°
C42C43H43119.9°120.0°
C22C43H43120.0°120.0°
C43C22C39120.2°119.8°
C43C22N13118.4°120.1°
C39C22N13121.4°120.1°
C22N13C14117.5°119.6°
C24N15C16121.3°119.5°
N15C24C26111.5°109.5°
N15C24H24108.8°109.4°
N15C24H24A108.4°109.5°
N15C16O50120.4°120.9°
C26C24H24108.8°109.5°
C26C24H24A108.3°109.5°
C24C26C32123.8°120.8°
C24C26C28116.0°120.8°
H24C24H24A111.0°109.5°
C26C32C31118.4°119.2°
C26C32H32120.8°120.4°
C32C26C28120.1°118.4°
C31C32H32120.8°120.4°
C32C31H31120.2°119.6°
C32C31N30119.5°120.7°
H31C31N30120.3°119.7°
C31N30C29123.0°121.7°
N30C29H29119.8°119.6°
N30C29C28120.4°120.8°
H29C29C28119.8°119.6°
C26C28C29118.6°119.2°
C26C28H28120.7°120.4°
C29C28H28120.7°120.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C2C1H1C6180.0°179.7°
C1C2C16C3179.9°180.0°
C1C2C3N13179.8°180.0°
C2C1C6C50.4°0.0°
C2C1C6H6179.6°179.5°
C1C2C3N40.6°0.0°
C1C2C16N15179.6°180.0°
C1C2C16O501.3°0.0°
H1C1C2C160.2°0.0°
H1C1C2C3179.6°180.0°
H1C1C6C5179.6°179.7°
H1C1C6H60.4°0.2°
C16C2C3N130.1°0.0°
C16C2C1C6179.7°179.7°
C2C16N15C141.1°0.0°
C16C2C3N4179.6°180.0°
C2C16N15C24179.7°180.0°
C2C16N15O50178.3°180.0°
C2C3N13N4179.7°180.0°
C2C3N4C50.7°0.5°
C3C2C1C60.4°0.3°
C2C3N13C22178.8°180.0°
C2C3N13C140.2°0.0°
C3C2C16N150.5°0.0°
C3C2C16O50178.9°180.0°
N13C3N4C5179.6°179.5°
C3N13C14N150.4°0.0°
C3N13C14O52179.9°180.0°
C3N13C22C4364.0°89.8°
C3N13C22C39117.7°89.8°
C3N13C22C14179.0°180.0°
C6C5N4H5180.0°179.5°
C5C6C1H6180.0°179.5°
C6C5N4C30.7°0.8°
N4C5C6C10.5°0.5°
N4C5C6H6179.5°180.0°
H5C5C6C1179.5°180.0°
H5C5C6H60.5°0.5°
H5C5N4C3179.3°179.7°
N15C14O52N13179.7°180.0°
N15C14N13C22179.4°180.0°
C14N15C24C16179.2°180.0°
C14N15C16O50179.4°180.0°
C14N15C24C2664.8°90.0°
C14N15C24H24175.2°150.0°
C14N15C24H24A54.4°30.0°
O52C14N13C220.9°0.1°
O52C14N15C240.1°0.1°
O52C14N15C16179.3°180.0°
O56N54O58C40160.4°179.9°
O56N54C40C3918.4°0.1°
O56N54C40C41165.4°179.7°
O58N54C40C39178.9°180.0°
O58N54C40C414.9°0.2°
N54C40C39C41176.3°179.8°
N54C40C39H392.6°0.1°
N54C40C41H412.9°0.0°
N54C40C41C42177.1°180.0°
N54C40C39C22177.4°180.0°
C40C39H39C22180.0°179.9°
C39C40C41H41179.2°179.7°
C39C40C41C420.8°0.2°
C40C39C22C431.3°0.1°
C40C39C22N13179.6°179.7°
H39C39C40C41178.8°179.7°
H39C39C22C43178.6°180.0°
H39C39C22N130.4°0.3°
C40C41H41C42180.0°179.9°
C40C41C42C430.5°0.0°
C40C41C42H42179.5°180.0°
C41C40C39C221.2°0.2°
H41C41C42C43179.5°180.0°
H41C41C42H420.5°0.0°
C41C42C43H42180.0°180.0°
C41C42C43C220.7°0.3°
C41C42C43H43179.3°180.0°
C42C43C22H43180.0°179.7°
C42C43C22C391.0°0.3°
C42C43C22N13179.3°180.0°
H42C42C43C22179.3°179.7°
H42C42C43H430.7°0.0°
C43C22C39N13178.2°179.7°
C43C22N13C14115.0°90.2°
H43C43C22C39178.9°180.0°
H43C43C22N130.6°0.3°
C39C22N13C1463.3°90.2°
C22N13C3N41.5°0.0°
C14N13C3N4179.5°180.0°
N13C14N15C24179.8°180.0°
N13C14N15C161.0°0.0°
C24N15C16O501.4°0.1°
N15C24C26H24120.0°120.0°
N15C24C26H24A119.2°120.0°
N15C24H24H24A119.2°120.0°
N15C24C26C3297.4°90.0°
N15C24C26C2880.1°90.3°
C16N15C24C26114.5°90.0°
C16N15C24H245.6°30.0°
C16N15C24H24A126.4°149.9°
C26C24H24H24A119.2°120.0°
C24C26C32C28177.4°179.7°
C24C26C32C31178.1°180.0°
C24C26C32H321.9°0.0°
C24C26C28C29178.7°179.8°
C24C26C28H281.3°0.1°
H24C24C26C32142.6°30.0°
H24C24C26C2840.0°149.7°
H24AC24C26C3221.8°150.0°
H24AC24C26C28160.8°29.7°
C26C32C31H32180.0°180.0°
C26C32C31H31179.5°180.0°
C26C32C31N300.4°0.1°
C32C26C28C291.2°0.5°
C32C26C28H28178.8°179.8°
C32C31H31N30180.0°179.9°
C32C31N30C290.6°0.1°
C31C32C26C280.7°0.3°
H32C32C31H310.5°0.0°
H32C32C31N30179.5°179.9°
H32C32C26C28179.3°179.7°
H31C31N30C29179.3°180.0°
C31N30C29H29178.9°179.9°
C31N30C29C281.1°0.2°
N30C29H29C28180.0°179.9°
N30C29C28C261.3°0.5°
N30C29C28H28178.7°179.8°
H29C29C28C26178.7°179.6°
H29C29C28H281.3°0.1°
C26C28C29H28180.0°179.7°

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