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SummaryGeometryRelated PDB entries

FR7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C1N2sing1.35Å1.47ÅAromatic
C1C5doub1.36Å1.34ÅAromatic
C1H1sing1.08Å1.10Å
N2C3sing1.36Å1.31ÅAromatic
N2C13sing1.47Å1.46Å
C3N4doub1.30Å1.33ÅAromatic
C3H3sing1.08Å1.10Å
N4C5sing1.36Å1.45ÅAromatic
C5C8sing1.47Å1.51Å
C8O9doub1.22Å1.17Å
C8N10sing1.35Å1.31Å
N10H101sing0.97Å1.02Å
N10H102sing0.97Å1.02Å
C13C14sing1.53Å1.59Å
C13C18sing1.53Å1.57Å
C13H13sing1.09Å1.12Å
C14O15sing1.43Å1.46Å
C14C9sing1.53Å1.55Å
C14H14sing1.09Å1.12Å
O15HOsing0.97Å0.95Å
C18C2sing1.53Å1.58Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.12Å
C2C22sing1.51Å1.49Å
C2H21sing1.09Å1.11Å
C2H22sing1.09Å1.12Å
C22C25doub1.38Å1.39ÅAromatic
C22C29sing1.38Å1.37ÅAromatic
C25C26sing1.38Å1.41ÅAromatic
C25H25sing1.08Å1.10Å
C26C27doub1.38Å1.40ÅAromatic
C26H26sing1.08Å1.10Å
C27C28sing1.38Å1.38ÅAromatic
C27H27sing1.08Å1.10Å
C28C29doub1.38Å1.40ÅAromatic
C28CL1sing1.74Å1.75Å
C29CL2sing1.74Å1.70Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.11Å
C9H93sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
N2C1C5109.2°106.9°
N2C1H1129.1°126.6°
C1N2C3103.4°107.7°
C1N2C13124.1°126.2°
C5C1H1121.8°126.5°
C1C5N4106.1°107.5°
C1C5C8125.9°126.2°
C3N2C13128.0°126.1°
N2C3N4115.0°109.0°
N2C3H3122.0°125.5°
N2C13C14109.3°109.5°
N2C13C18112.6°109.5°
N2C13H13108.3°109.4°
N4C3H3123.0°125.5°
C3N4C5105.9°108.8°
N4C5C8127.9°126.2°
C5C8O9112.1°120.0°
C5C8N10124.5°120.0°
O9C8N10123.3°120.0°
C8N10H101124.5°120.0°
C8N10H102123.3°120.0°
H101N10H102112.1°120.0°
C14C13C18112.0°109.5°
C14C13H13109.0°109.5°
C13C14O15124.3°109.5°
C13C14C9115.5°109.5°
C13C14H1490.4°109.5°
C18C13H13105.4°109.5°
C13C18C2119.0°109.5°
C13C18H181108.8°109.5°
C13C18H182108.8°109.5°
O15C14C997.3°109.5°
O15C14H14110.8°109.4°
C14O15HO124.3°106.8°
C9C14H14120.5°109.4°
C14C9H91110.0°109.4°
C14C9H92115.5°109.5°
C14C9H93110.0°109.5°
C2C18H181108.8°109.5°
C2C18H182108.8°109.5°
C18C2C22112.0°109.5°
C18C2H21111.3°109.5°
C18C2H22111.3°109.5°
H181C18H182101.3°109.5°
C22C2H21111.3°109.5°
C22C2H22111.3°109.5°
C2C22C25119.8°120.0°
C2C22C29123.7°120.0°
H21C2H2299.1°109.5°
C25C22C29116.4°120.0°
C22C25C26122.1°120.0°
C22C25H25118.2°119.9°
C22C29C28121.7°120.0°
C22C29CL2118.7°120.0°
C26C25H25119.7°120.1°
C25C26C27120.2°120.0°
C25C26H26120.4°119.9°
C27C26H26119.4°120.1°
C26C27C28116.7°120.1°
C26C27H27122.2°119.9°
C28C27H27121.1°120.0°
C27C28C29122.2°120.0°
C27C28CL1117.2°120.0°
C29C28CL1120.5°120.0°
C28C29CL2119.6°120.0°
H91C9H92110.0°109.5°
H91C9H93100.2°109.5°
H92C9H93110.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
N2C1C5H1180.0°179.5°
C1N2C3C13156.7°179.6°
C1N2C3N45.9°0.3°
C1N2C3H3174.1°179.8°
N2C1C5N44.1°0.5°
N2C1C5C8175.1°179.8°
C1N2C13C1490.2°119.6°
C1N2C13C1834.9°120.3°
C1N2C13H13151.1°0.3°
C5C1N2C36.1°0.5°
C5C1N2C13164.0°179.9°
C1C5N4C30.6°0.3°
C1C5N4C8179.2°179.7°
C1C5C8O919.0°0.4°
C1C5C8N10162.0°179.7°
H1C1N2C3173.9°180.0°
H1C1N2C1316.0°0.3°
H1C1C5N4175.9°180.0°
H1C1C5C84.9°0.3°
N2C3N4H3180.0°179.9°
N2C3N4C53.6°0.0°
C3N2C13C14117.5°59.9°
C3N2C13C18117.4°60.1°
C3N2C13H131.2°179.9°
C13N2C3N4162.6°180.0°
C13N2C3H317.4°0.1°
N2C13C14C18125.5°120.0°
N2C13C14H13118.2°120.0°
N2C13C18H13117.9°119.9°
N2C13C14O1554.1°177.8°
N2C13C14C965.7°62.2°
N2C13C14H14169.9°57.8°
N2C13C18C248.0°65.4°
N2C13C18H18177.2°174.7°
N2C13C18H182173.3°54.6°
C3N4C5C8178.6°180.0°
H3C3N4C5176.4°179.9°
N4C5C8O9161.9°180.0°
N4C5C8N1017.1°0.0°
C5C8O9N10179.0°179.9°
C5C8N10H101180.0°0.1°
C5C8N10H1021.1°180.0°
O9C8N10H1011.1°180.0°
O9C8N10H102180.0°0.1°
C8N10H101H102179.1°179.9°
C14C13C18H13118.4°120.0°
C13C14O15C9127.8°120.0°
C13C14O15H14105.6°120.0°
C13C14C9H14106.9°120.0°
C13C14O15HO180.0°60.1°
C14C13C18C2171.7°174.6°
C14C13C18H18146.4°54.6°
C14C13C18H18263.0°65.4°
C13C14C9H9154.7°60.0°
C13C14C9H92180.0°60.0°
C13C14C9H9354.7°180.0°
C18C13C14O15179.6°57.7°
C18C13C14C959.8°177.8°
C18C13C14H1464.6°62.2°
C13C18C2H181125.3°120.0°
C13C18C2H182125.3°120.0°
C13C18H181H182114.5°120.0°
C13C18C2C22179.3°176.2°
C13C18C2H2155.5°56.2°
C13C18C2H2254.0°63.8°
H13C13C14O1564.1°62.3°
H13C13C14C9176.1°57.7°
H13C13C14H1451.6°177.7°
H13C13C18C269.9°54.6°
H13C13C18H181164.9°65.4°
H13C13C18H18255.4°174.6°
O15C14C9H14119.4°119.9°
O15C14C9H91171.6°60.0°
O15C14C9H9246.3°180.0°
O15C14C9H9378.9°60.0°
C9C14O15HO52.2°60.0°
C14C9H91H92128.4°120.0°
C14C9H91H93115.8°120.0°
C14C9H92H93125.3°120.0°
H14C14O15HO74.4°179.9°
H14C14C9H9152.1°180.0°
H14C14C9H9273.1°60.0°
H14C14C9H93161.6°60.0°
C2C18H181H182114.5°120.0°
C18C2C22H21125.2°120.0°
C18C2C22H22125.3°120.0°
C18C2H21H22117.2°120.0°
C18C2C22C2586.1°100.0°
C18C2C22C2989.4°80.3°
H181C18C2C2254.0°63.8°
H181C18C2H21179.3°176.2°
H181C18C2H2271.2°56.2°
H182C18C2C2255.4°56.2°
H182C18C2H2169.8°63.8°
H182C18C2H22179.3°176.2°
C22C2H21H22117.2°120.0°
C2C22C25C29175.8°179.7°
C2C22C25C26167.8°180.0°
C2C22C25H2512.2°0.0°
C2C22C29C28168.9°179.7°
C2C22C29CL212.9°0.2°
H21C2C22C2539.2°20.0°
H21C2C22C29145.3°159.7°
H22C2C22C25148.6°140.0°
H22C2C22C2935.9°39.7°
C22C25C26H25180.0°180.0°
C22C25C26C272.3°0.0°
C22C25C26H26177.7°180.0°
C25C22C29C286.7°0.6°
C25C22C29CL2171.5°179.9°
C29C22C25C268.0°0.3°
C29C22C25H25172.0°179.7°
C22C29C28C270.3°0.6°
C22C29C28CL2178.2°179.5°
C22C29C28CL1176.3°179.7°
C25C26C27H26180.0°180.0°
C25C26C27C284.8°0.0°
C25C26C27H27175.2°179.9°
H25C25C26C27177.7°180.0°
H25C25C26H262.3°0.0°
C26C27C28H27180.0°179.9°
C26C27C28C296.2°0.3°
C26C27C28CL1170.6°180.0°
H26C26C27C28175.2°180.0°
H26C26C27H274.8°0.1°
C27C28C29CL1176.6°179.7°
C27C28C29CL2178.5°179.9°
H27C27C28C29173.8°179.8°
H27C27C28CL19.5°0.1°
CL1C28C29CL21.9°0.2°
H91C9H92H93109.5°120.0°

218500

PDB entries from 2024-04-17

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