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SummaryGeometryRelated PDB entries

A1I3N

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O12C03sing1.36Å1.34Å
C02C03doub1.39Å1.39ÅAromatic
C02C01sing1.38Å1.41ÅAromatic
C03C04sing1.39Å1.40ÅAromatic
C01C06doub1.40Å1.37ÅAromatic
C04C05doub1.38Å1.40ÅAromatic
C06C05sing1.40Å1.39ÅAromatic
C06C07sing1.48Å1.52Å
C07N11doub1.31Å1.21ÅAromatic
C07N08sing1.36Å1.41ÅAromatic
N11C10sing1.34Å1.38ÅAromatic
N08C09sing1.37Å1.29ÅAromatic
C10C09doub1.35Å1.26ÅAromatic
C10H1sing1.08Å1.08Å
C01H2sing1.08Å1.08Å
C02H3sing1.08Å1.08Å
C04H4sing1.08Å1.08Å
C05H5sing1.08Å1.08Å
N08H6sing0.97Å1.00Å
C09H7sing1.08Å1.08Å
O12H9sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O12C03C02119.9°119.9°
O12C03C04121.9°119.9°
C03O12H9109.5°114.0°
C03C02C01119.0°120.1°
C02C03C04118.2°120.2°
C03C02H3120.5°119.9°
C02C01C06122.4°119.9°
C02C01H2118.8°120.1°
C01C02H3120.5°120.0°
C03C04C05122.3°120.1°
C03C04H4118.8°120.0°
C01C06C05118.7°119.8°
C01C06C07121.5°120.1°
C06C01H2118.8°120.0°
C04C05C06119.3°119.9°
C05C04H4118.8°119.9°
C04C05H5120.3°120.0°
C05C06C07119.8°120.1°
C06C05H5120.3°120.0°
C06C07N11127.8°125.9°
C06C07N08125.6°125.8°
N11C07N08106.5°108.3°
C07N11C10108.7°109.3°
C07N08C09108.2°107.0°
C07N08H6125.9°126.5°
N11C10C09109.2°108.4°
N11C10H1125.4°125.8°
N08C09C10107.3°107.0°
C09N08H6125.9°126.5°
N08C09H7126.3°126.5°
C09C10H1125.4°125.8°
C10C09H7126.3°126.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O12C03C02C04178.8°179.9°
O12C03C02C01178.5°179.9°
O12C03C04C05179.5°180.0°
O12C03C02H31.5°0.0°
O12C03C04H40.6°0.0°
C03C02C01H3180.0°180.0°
C03C02C01C060.4°0.0°
C02C03C04C050.7°0.0°
C03C02C01H2179.7°179.7°
C02C03C04H4179.3°179.9°
C02C03O12H9180.0°90.0°
C01C02C03C040.3°0.0°
C02C01C06H2180.0°179.7°
C02C01C06C051.9°0.0°
C02C01C06C07178.9°179.7°
C03C04C05H4180.0°180.0°
C03C04C05C062.3°0.0°
C04C03C02H3179.7°180.0°
C03C04C05H5177.8°180.0°
C04C03O12H91.2°90.0°
C01C06C05C042.8°0.0°
C01C06C05C07177.0°179.8°
C01C06C07N1137.9°0.0°
C01C06C07N08142.9°179.7°
C06C01C02H3179.6°180.0°
C01C06C05H5177.2°179.9°
C04C05C06H5180.0°179.9°
C04C05C06C07179.8°179.8°
C05C06C07N11145.1°179.8°
C05C06C07N0834.1°0.1°
C05C06C01H2178.1°179.7°
C06C05C04H4177.8°179.9°
C06C07N11N08179.3°179.8°
C06C07N11C10178.1°180.0°
C06C07N08C09177.2°179.9°
C07C06C01H21.1°0.0°
C07C06C05H50.2°0.3°
C06C07N08H62.8°0.0°
N11C07N08C092.1°0.4°
C07N11C10C090.0°0.0°
C07N11C10H1180.0°179.8°
N11C07N08H6177.9°179.8°
N08C07N11C101.2°0.2°
C07N08C09H6180.0°179.9°
C07N08C09C102.1°0.4°
C07N08C09H7177.9°179.6°
N11C10C09N081.4°0.2°
N11C10C09H1180.0°179.8°
N11C10C09H7178.6°179.7°
N08C09C10H7180.0°180.0°
N08C09C10H1178.6°180.0°
C10C09N08H6177.9°179.8°
H1C10C09H71.4°0.1°
H2C01C02H30.4°0.3°
H4C04C05H52.2°0.0°
H6N08C09H72.1°0.3°

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PDB entries from 2026-01-21

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