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SummaryGeometryRelated PDB entries

A1I8H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C04N03sing1.32Å1.36ÅAromatic
C04C05doub1.38Å1.42ÅAromatic
N03C02doub1.33Å1.37ÅAromatic
CL13C05sing1.74Å1.79Å
C05C06sing1.40Å1.42ÅAromatic
C02N01sing1.39Å1.45Å
C02C07sing1.39Å1.41ÅAromatic
C06C07doub1.40Å1.42ÅAromatic
C06C08sing1.48Å1.46Å
C08C09doub1.37Å1.43ÅAromatic
C08N12sing1.36Å1.41ÅAromatic
C09C10sing1.40Å1.44ÅAromatic
N12N11sing1.40Å1.38ÅAromatic
C10N11doub1.31Å1.37ÅAromatic
C10H101sing1.08Å1.08Å
N12H121sing0.97Å1.00Å
C04H041sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C09H091sing1.08Å1.08Å
N01H012sing0.97Å1.00Å
N01H011sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
N03C04C05122.3°120.9°
C04N03C02120.7°122.0°
N03C04H041118.8°119.5°
C04C05CL13119.5°120.4°
C04C05C06118.6°119.1°
C05C04H041118.9°119.5°
N03C02N01121.9°119.6°
N03C02C07119.2°120.7°
CL13C05C06121.9°120.5°
C05C06C07117.6°118.3°
C05C06C08123.9°120.8°
N01C02C07118.9°119.7°
C02N01H012109.5°120.0°
C02N01H011109.5°120.0°
C02C07C06121.5°119.0°
C02C07H071119.3°120.5°
C07C06C08118.5°120.9°
C06C07H071119.2°120.6°
C06C08C09129.0°126.3°
C06C08N12127.0°126.3°
C09C08N12104.0°107.3°
C08C09C10107.7°107.8°
C08C09H091126.2°126.1°
C08N12N11112.6°107.7°
C08N12H121123.7°126.1°
C09C10N11109.1°108.6°
C09C10H101125.4°125.6°
C10C09H091126.2°126.1°
N12N11C10106.6°108.5°
N11N12H121123.7°126.2°
N11C10H101125.5°125.7°
H012N01H011109.5°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
N03C04C05H041180.0°180.0°
N03C04C05CL13179.5°180.0°
N03C04C05C061.5°0.3°
C04N03C02N01179.8°179.9°
C04N03C02C071.2°0.2°
C05C04N03C021.2°0.1°
C04C05CL13C06179.0°179.7°
C04C05C06C071.7°0.3°
C04C05C06C08180.0°180.0°
N03C02N01C07179.0°179.8°
N03C02C07C061.6°0.2°
C02N03C04H041178.8°180.0°
N03C02C07H071178.4°179.7°
N03C02N01H0120.0°179.8°
N03C02N01H011120.0°0.3°
CL13C05C06C07179.3°180.0°
CL13C05C06C081.0°0.2°
CL13C05C04H0410.5°0.0°
C05C06C07C021.8°0.0°
C05C06C07C08178.4°179.8°
C05C06C08C09148.5°40.1°
C05C06C08N1234.5°139.7°
C06C05C04H041178.5°179.8°
C05C06C07H071178.2°179.9°
N01C02C07C06179.4°179.9°
N01C02C07H0710.6°0.1°
C02N01H012H011120.0°179.9°
C02C07C06H071180.0°179.9°
C02C07C06C08179.8°179.8°
C07C02N01H012178.9°0.0°
C07C02N01H01158.9°179.9°
C07C06C08C0933.2°139.7°
C07C06C08N12143.8°40.5°
C06C08C09N12177.5°179.8°
C06C08C09C10177.8°180.0°
C06C08N12N11178.4°179.8°
C06C08N12H1211.6°0.1°
C08C06C07H0710.2°0.3°
C06C08C09H0912.3°0.1°
C08C09C10H091180.0°179.9°
C09C08N12N110.9°0.4°
C08C09C10N110.3°0.0°
C08C09C10H101179.6°179.7°
C09C08N12H121179.1°179.9°
N12C08C09C100.3°0.2°
C08N12N11H121180.0°179.7°
C08N12N11C101.1°0.4°
N12C08C09H091179.7°179.7°
C09C10N11N120.9°0.3°
C09C10N11H101180.0°179.7°
N12N11C10H101179.1°180.0°
C10N11N12H121178.9°179.9°
N11C10C09H091179.6°180.0°
H101C10C09H0910.4°0.3°

250835

PDB entries from 2026-03-18

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