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Y0H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C1sing1.39Å1.45Å
C1C2doub1.36Å1.42ÅAromatic
C1Nsing1.36Å1.33ÅAromatic
C2C3sing1.41Å1.41ÅAromatic
NCsing1.46Å1.46Å
NN2sing1.40Å1.32ÅAromatic
C3N2doub1.32Å1.32ÅAromatic
C3C4sing1.48Å1.52Å
C4C7doub1.39Å1.39ÅAromatic
C4C5sing1.39Å1.38ÅAromatic
C7C8sing1.38Å1.39ÅAromatic
C5C6doub1.38Å1.37ÅAromatic
C8C9doub1.38Å1.38ÅAromatic
C6C9sing1.38Å1.38ÅAromatic
C9CLsing1.74Å1.78Å
N1H1sing0.97Å1.00Å
N1H2sing0.97Å1.00Å
C5H3sing1.08Å1.08Å
C6H4sing1.08Å1.08Å
C7H5sing1.08Å1.08Å
C8H6sing1.08Å1.08Å
CH7sing1.09Å1.10Å
CH8sing1.09Å1.10Å
CH9sing1.09Å1.10Å
C2H10sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C1C2124.2°126.2°
N1C1N127.9°126.2°
C1N1H1109.5°120.0°
C1N1H2109.5°120.0°
C2C1N107.9°107.7°
C1C2C3104.0°107.8°
C1C2H10128.0°126.1°
C1NC127.7°126.0°
C1NN2109.4°108.0°
C2C3N2108.1°108.2°
C2C3C4128.2°126.0°
C3C2H10128.0°126.1°
CNN2122.9°126.0°
NCH7109.5°109.5°
NCH8109.4°109.5°
NCH9109.5°109.5°
NN2C3110.6°108.3°
N2C3C4123.7°125.9°
C3C4C7122.2°120.2°
C3C4C5116.7°120.1°
C7C4C5121.0°119.8°
C4C7C8119.5°119.9°
C4C7H5120.2°120.0°
C4C5C6119.1°119.9°
C4C5H3120.4°120.1°
C7C8C9118.8°120.1°
C8C7H5120.3°120.0°
C7C8H6120.6°120.0°
C5C6C9120.1°120.1°
C6C5H3120.5°120.1°
C5C6H4119.9°119.9°
C8C9C6121.4°120.2°
C8C9CL120.6°119.9°
C9C8H6120.6°119.9°
C6C9CL118.0°119.9°
C9C6H4119.9°119.9°
H1N1H2109.5°120.0°
H7CH8109.5°109.5°
H7CH9109.5°109.5°
H8CH9109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C1C2N179.7°180.0°
N1C1C2C3179.9°180.0°
N1C1NC0.6°0.0°
N1C1NN2179.6°179.8°
C1N1H1H2120.0°179.7°
N1C1C2H100.1°0.0°
C1C2C3H10180.0°180.0°
C2C1NC179.7°180.0°
C2C1NN20.1°0.2°
C1C2C3N20.3°0.3°
C1C2C3C4179.2°180.0°
C2C1N1H1180.0°0.1°
C2C1N1H260.0°179.7°
NC1C2C30.1°0.0°
C1NCN2179.8°179.7°
C1NN2C30.4°0.4°
NC1N1H10.3°179.9°
NC1N1H2120.3°0.3°
C1NCH7179.8°89.8°
C1NCH859.8°30.3°
C1NCH960.2°150.2°
NC1C2H10179.9°180.0°
C2C3N2N0.4°0.4°
C2C3N2C4179.0°179.7°
C2C3C4C771.0°180.0°
C2C3C4C5111.3°0.2°
CNN2C3179.5°179.8°
NCH7H8120.0°120.0°
NCH7H9120.0°120.0°
NCH8H9120.0°120.0°
NN2C3C4179.4°179.9°
N2NCH70.0°90.0°
N2NCH8120.0°150.0°
N2NCH9120.0°30.0°
N2C3C4C7110.2°0.4°
N2C3C4C567.4°179.4°
N2C3C2H10179.6°179.7°
C3C4C7C5177.5°179.8°
C3C4C7C8178.6°179.8°
C3C4C5C6178.2°179.8°
C3C4C5H31.8°0.2°
C3C4C7H51.4°0.2°
C4C3C2H100.7°0.0°
C4C7C8H5180.0°179.9°
C7C4C5C60.5°0.0°
C4C7C8C90.9°0.0°
C7C4C5H3179.5°180.0°
C4C7C8H6179.1°180.0°
C5C4C7C81.1°0.0°
C4C5C6H3180.0°180.0°
C4C5C6C90.2°0.0°
C4C5C6H4179.9°180.0°
C5C4C7H5178.9°180.0°
C7C8C9H6180.0°180.0°
C7C8C9C60.2°0.0°
C7C8C9CL179.6°180.0°
C5C6C9C80.3°0.0°
C5C6C9H4180.0°180.0°
C5C6C9CL179.1°180.0°
C8C9C6CL179.4°180.0°
C8C9C6H4179.7°180.0°
C9C8C7H5179.1°180.0°
C9C6C5H3179.9°180.0°
C6C9C8H6179.8°180.0°
CLC9C6H40.9°0.0°
CLC9C8H60.4°0.0°
H3C5C6H40.1°0.0°
H5C7C8H60.9°0.0°
H7CH8H9120.0°120.0°

226707

PDB entries from 2024-10-30

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