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A1CYA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C2sing1.43Å1.42Å
C1C2sing1.53Å1.51Å
C2C3sing1.51Å1.52Å
C3N1sing1.34Å1.33Å
C3O2doub1.21Å1.23Å
N1C4doub1.31Å1.46Å
C4C5sing1.47Å1.51Å
C5N2doub1.33Å1.34ÅAromatic
C5C6sing1.40Å1.38ÅAromatic
N2C9sing1.31Å1.34ÅAromatic
C6C7doub1.39Å1.39ÅAromatic
C9C8doub1.39Å1.37ÅAromatic
C7C8sing1.39Å1.37ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
O1H5sing0.97Å0.95Å
C4H6sing1.08Å1.08Å
C6H7sing1.08Å1.08Å
C7H8sing1.08Å1.08Å
C8H9sing1.08Å1.08Å
C9H10sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C2C1110.1°109.4°
O1C2C3112.0°109.5°
O1C2H4109.8°109.4°
C2O1H5109.5°114.0°
C1C2C3108.0°109.5°
C2C1H1109.5°109.5°
C2C1H2109.5°109.5°
C2C1H3109.5°109.4°
C1C2H4108.5°109.5°
C2C3N1119.2°120.0°
C2C3O2117.6°120.0°
C3C2H4108.4°109.5°
N1C3O2123.2°120.0°
C3N1C4123.9°120.0°
N1C4C5116.7°120.0°
N1C4H6121.6°120.0°
C4C5N2116.3°119.8°
C4C5C6121.9°119.7°
C5C4H6121.6°120.0°
N2C5C6121.8°120.5°
C5N2C9118.0°121.6°
C5C6C7119.2°119.0°
C5C6H7120.4°120.5°
N2C9C8123.5°120.9°
N2C9H10118.2°119.6°
C6C7C8119.3°118.5°
C7C6H7120.4°120.5°
C6C7H8120.3°120.7°
C9C8C7118.1°119.4°
C9C8H9121.0°120.3°
C8C9H10118.2°119.5°
C8C7H8120.3°120.8°
C7C8H9120.9°120.3°
H1C1H2109.5°109.5°
H1C1H3109.5°109.5°
H2C1H3109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C2C1C3122.5°120.0°
O1C2C1H4120.2°119.9°
O1C2C3H4121.3°120.0°
O1C2C3N112.1°175.0°
O1C2C3O2166.8°5.0°
O1C2C1H1180.0°60.1°
O1C2C1H260.0°60.0°
O1C2C1H360.0°180.0°
C1C2C3H4117.4°120.0°
C1C2C3N1133.5°65.0°
C1C2C3O245.5°115.0°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°119.9°
C2C1H2H3120.0°120.0°
C1C2O1H5180.0°60.0°
C2C3N1O2178.9°180.0°
C2C3N1C4169.9°80.9°
C3C2C1H157.5°59.9°
C3C2C1H262.5°180.0°
C3C2C1H3177.5°60.0°
C3C2O1H559.9°180.0°
C3N1C4C50.5°5.6°
N1C3C2H4109.2°55.0°
C3N1C4H6179.6°174.4°
O2C3N1C411.2°99.1°
O2C3C2H471.9°125.0°
N1C4C5H6180.0°179.9°
N1C4C5N275.6°5.3°
N1C4C5C6104.7°174.4°
C4C5N2C6179.7°179.7°
C4C5N2C9179.7°179.7°
C4C5C6C7179.8°180.0°
C4C5C6H70.3°0.0°
N2C5C6C70.6°0.3°
C5N2C9C81.0°0.5°
N2C5C4H6104.4°174.6°
N2C5C6H7179.4°179.7°
C5N2C9H10179.0°179.7°
C6C5N2C90.6°0.6°
C5C6C7H7180.0°180.0°
C5C6C7C81.0°0.1°
C6C5C4H675.3°5.7°
C5C6C7H8179.0°180.0°
N2C9C8H10180.0°179.7°
N2C9C8C72.5°0.3°
N2C9C8H9177.5°179.8°
C6C7C8C92.5°0.0°
C6C7C8H8180.0°180.0°
C6C7C8H9177.5°180.0°
C9C8C7H9180.0°179.9°
C9C8C7H8177.6°180.0°
C8C7C6H7179.0°180.0°
C7C8C9H10177.4°180.0°
H1C1H2H3120.0°120.0°
H1C1C2H459.8°180.0°
H2C1C2H4179.9°60.0°
H3C1C2H460.2°60.1°
H4C2O1H560.6°60.0°
H7C6C7H81.0°0.0°
H8C7C8H92.5°0.1°
H9C8C9H102.6°0.0°

248636

PDB entries from 2026-02-04

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