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BDQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N1sing1.47Å1.46Å
C1C3sing1.51Å1.53Å
C1C4sing1.53Å1.54Å
C1C5sing1.53Å1.52Å
N1C2sing1.37Å1.35Å
O1C3doub1.21Å1.23Å
C2N2sing1.37Å1.35Å
C2N3doub1.30Å1.33Å
N2C3sing1.35Å1.35Å
N2C9sing1.47Å1.46Å
O2C22doub1.22Å1.23Å
N4C16sing1.47Å1.46Å
N4C22sing1.35Å1.35Å
C5C6sing1.53Å1.53Å
N5C17sing1.40Å1.36Å
N5C22sing1.35Å1.35Å
C6C7sing1.53Å1.53Å
C6C8sing1.53Å1.53Å
N6C24trip1.14Å1.16Å
C9C10sing1.51Å1.51Å
C10C11doub1.38Å1.43ÅAromatic
C10C15sing1.38Å1.42ÅAromatic
C11C12sing1.38Å1.42ÅAromatic
C12C13doub1.38Å1.42ÅAromatic
C13C14sing1.38Å1.43ÅAromatic
C13C16sing1.51Å1.52Å
C14C15doub1.38Å1.42ÅAromatic
C17C18doub1.39Å1.43ÅAromatic
C17C19sing1.39Å1.43ÅAromatic
C18C20sing1.38Å1.43ÅAromatic
C19C21doub1.38Å1.43ÅAromatic
C20C23doub1.40Å1.43ÅAromatic
C21C23sing1.40Å1.43ÅAromatic
C23C24sing1.43Å1.44Å
N1HN1sing0.97Å1.00Å
N3HN3sing0.97Å1.00Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C4H4Bsing1.09Å1.10Å
N4HN4sing0.97Å1.00Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
N5HN5sing0.97Å1.00Å
C6H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C7H7Bsing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C8H8Bsing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C1C3102.9°104.4°
N1C1C4111.5°110.5°
N1C1C5110.8°110.5°
C1N1C2106.7°106.6°
C1N1HN1126.6°126.7°
C3C1C4107.1°110.5°
C3C1C5110.1°110.4°
C1C3O1124.8°126.8°
C1C3N2107.6°106.5°
C4C1C5113.8°110.5°
C1C4H4109.5°109.5°
C1C4H4A109.4°109.4°
C1C4H4B109.5°109.5°
C1C5C6111.6°109.5°
C1C5H5108.7°109.5°
C1C5H5A108.7°109.5°
N1C2N2113.9°111.2°
N1C2N3123.6°124.4°
C2N1HN1126.7°126.7°
O1C3N2127.6°126.7°
N2C2N3122.4°124.4°
C2N2C3108.8°111.3°
C2N2C9125.8°124.4°
C2N3HN3112.0°120.0°
C3N2C9125.3°124.4°
N2C9C10110.4°109.5°
N2C9H9109.2°109.4°
N2C9H9A109.2°109.4°
O2C22N4122.7°120.0°
O2C22N5123.2°120.0°
C16N4C22118.9°120.0°
N4C16C13112.6°109.5°
C16N4HN4120.6°120.0°
N4C16H16108.4°109.5°
N4C16H16A108.4°109.5°
N4C22N5114.1°120.0°
C22N4HN4120.5°120.0°
C5C6C7111.1°109.5°
C5C6C8111.2°109.5°
C6C5H5108.8°109.5°
C6C5H5A108.8°109.5°
C5C6H6108.4°109.5°
C17N5C22121.8°120.0°
N5C17C18120.2°119.9°
N5C17C19119.9°119.9°
C17N5HN5119.1°120.0°
C22N5HN5119.1°120.0°
C7C6C8112.8°109.4°
C7C6H6106.6°109.4°
C6C7H7109.5°109.5°
C6C7H7A109.4°109.4°
C6C7H7B109.5°109.4°
C8C6H6106.5°109.5°
C6C8H8109.5°109.4°
C6C8H8A109.5°109.5°
C6C8H8B109.5°109.5°
N6C24C23179.8°180.0°
C9C10C11120.1°120.0°
C9C10C15120.0°120.0°
C10C9H9109.2°109.5°
C10C9H9A109.2°109.5°
C11C10C15119.9°120.0°
C10C11C12120.0°120.0°
C10C11H11120.0°120.0°
C10C15C14120.1°120.0°
C10C15H15120.0°120.0°
C11C12C13120.3°120.0°
C12C11H11120.0°120.0°
C11C12H12119.9°119.9°
C12C13C14119.7°120.0°
C12C13C16119.8°120.0°
C13C12H12119.9°120.0°
C14C13C16120.5°120.0°
C13C14C15120.1°120.0°
C13C14H14119.9°120.0°
C13C16H16108.5°109.4°
C13C16H16A108.5°109.4°
C15C14H14119.9°120.0°
C14C15H15120.0°120.0°
C18C17C19119.9°120.2°
C17C18C20120.2°120.1°
C17C18H18119.9°120.0°
C17C19C21119.9°120.1°
C17C19H19120.0°120.0°
C18C20C23119.9°120.0°
C20C18H18119.9°119.9°
C18C20H20120.0°120.1°
C19C21C23120.1°119.9°
C21C19H19120.1°120.0°
C19C21H21119.9°120.0°
C20C23C21120.0°119.8°
C20C23C24119.9°120.1°
C23C20H20120.1°120.0°
C21C23C24120.1°120.1°
C23C21H21120.0°120.1°
H4C4H4A109.5°109.5°
H4C4H4B109.5°109.5°
H4AC4H4B109.5°109.5°
H5C5H5A110.2°109.4°
H7C7H7A109.5°109.5°
H7C7H7B109.5°109.5°
H7AC7H7B109.5°109.4°
H8C8H8A109.4°109.4°
H8C8H8B109.4°109.5°
H8AC8H8B109.5°109.5°
H9C9H9A109.7°109.5°
H16C16H16A110.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C1C3C4117.6°118.7°
N1C1C3C5118.2°118.7°
N1C1C4C5126.2°122.5°
C1N1C2HN1180.0°180.0°
N1C1C3O1179.9°180.0°
C1N1C2N20.2°0.0°
C1N1C2N3180.0°180.0°
N1C1C3N20.2°0.0°
N1C1C5C633.4°63.1°
N1C1C4H4180.0°58.4°
N1C1C4H4A60.0°178.3°
N1C1C4H4B60.0°61.7°
N1C1C5H586.6°56.9°
N1C1C5H5A153.4°176.9°
C3C1C4C5121.9°122.5°
C3C1N1C20.0°0.0°
C1C3O1N2179.7°179.9°
C1C3N2C20.3°0.1°
C1C3N2C9176.6°180.0°
C3C1C5C679.8°51.8°
C3C1N1HN1180.0°180.0°
C3C1C4H468.1°56.6°
C3C1C4H4A171.9°63.4°
C3C1C4H4B51.9°176.6°
C3C1C5H5160.2°171.9°
C3C1C5H5A40.2°68.2°
C4C1N1C2114.5°118.7°
C4C1C3O162.3°61.2°
C4C1C3N2117.5°118.7°
C4C1C5C6160.0°174.3°
C4C1N1HN165.5°61.3°
C1C4H4H4A120.0°119.9°
C1C4H4H4B120.0°120.0°
C1C4H4AH4B120.0°120.0°
C4C1C5H539.9°65.6°
C4C1C5H5A80.0°54.3°
C5C1N1C2117.7°118.7°
C5C1C3O161.9°61.3°
C5C1C3N2118.4°118.8°
C1C5C6H5120.0°120.0°
C1C5C6H5A120.0°120.0°
C1C5C6C7125.0°68.1°
C1C5C6C8108.5°171.9°
C5C1N1HN162.3°61.3°
C5C1C4H453.8°179.1°
C5C1C4H4A66.2°59.1°
C5C1C4H4B173.8°60.9°
C1C5H5H5A119.1°120.0°
C1C5C6H68.2°51.9°
N1C2N2N3179.8°180.0°
N1C2N2C30.3°0.1°
N1C2N2C9176.5°180.0°
N1C2N3HN3179.7°180.0°
O1C3N2C2179.9°180.0°
O1C3N2C93.2°0.1°
C2N2C3C9176.9°179.9°
C2N2C9C1094.1°90.0°
N2C2N1HN1179.8°180.0°
N2C2N3HN30.0°0.0°
C2N2C9H925.9°150.0°
C2N2C9H9A145.9°30.0°
N3C2N2C3179.9°180.0°
N3C2N2C93.3°0.1°
N3C2N1HN10.0°0.0°
C3N2C9C1082.2°89.9°
C3N2C9H9157.8°30.1°
C3N2C9H9A37.8°150.1°
N2C9C10H9120.0°120.0°
N2C9C10H9A120.0°120.0°
N2C9C10C1189.0°90.0°
N2C9C10C1590.7°90.3°
N2C9H9H9A119.6°119.9°
O2C22N4C160.0°0.0°
O2C22N4N5179.9°180.0°
O2C22N5C170.1°3.8°
O2C22N4HN4179.9°180.0°
O2C22N5HN5179.9°176.2°
C16N4C22HN4180.0°180.0°
C16N4C22N5179.9°180.0°
N4C16C13C12165.9°90.0°
N4C16C13C1414.1°90.0°
N4C16C13H16120.0°120.0°
N4C16C13H16A120.0°120.0°
N4C16H16H16A118.7°120.1°
N4C22N5C17180.0°176.2°
C22N4C16C1370.9°180.0°
N4C22N5HN50.0°3.7°
C22N4C16H16169.1°60.0°
C22N4C16H16A49.1°60.0°
C5C6C7C8125.6°120.0°
C5C6C7H6117.9°120.0°
C5C6C8H6117.9°120.1°
C6C5H5H5A119.1°120.0°
C5C6C7H7180.0°170.3°
C5C6C7H7A60.0°69.7°
C5C6C7H7B60.0°50.2°
C5C6C8H8180.0°60.0°
C5C6C8H8A60.0°180.0°
C5C6C8H8B60.0°60.0°
C17N5C22HN5180.0°179.9°
N5C17C18C19179.8°179.7°
N5C17C18C20179.9°180.0°
N5C17C19C21180.0°180.0°
N5C17C18H180.1°0.1°
N5C17C19H190.0°0.0°
C22N5C17C1862.9°141.9°
C22N5C17C19117.3°38.4°
N5C22N4HN40.0°0.0°
C7C6C8H6116.6°119.9°
C7C6C5H5115.0°51.9°
C7C6C5H5A5.0°171.9°
C6C7H7H7A120.0°120.0°
C6C7H7H7B120.0°120.0°
C6C7H7AH7B120.0°119.9°
C7C6C8H854.5°180.0°
C7C6C8H8A174.4°60.0°
C7C6C8H8B65.5°60.0°
C8C6C5H511.5°68.0°
C8C6C5H5A131.5°51.9°
C8C6C7H754.4°50.2°
C8C6C7H7A65.6°170.3°
C8C6C7H7B174.4°69.8°
C6C8H8H8A120.0°120.0°
C6C8H8H8B120.0°120.0°
C6C8H8AH8B120.0°120.0°
N6C24C23C205.7°159.7°
N6C24C23C21174.3°20.6°
C9C10C11C15179.7°179.7°
C9C10C11C12179.8°180.0°
C9C10C15C14179.8°179.8°
C10C9H9H9A119.6°120.0°
C9C10C11H110.2°0.0°
C9C10C15H150.1°0.1°
C10C11C12H11180.0°180.0°
C10C11C12C130.1°0.0°
C11C10C15C140.1°0.5°
C11C10C9H931.0°30.0°
C11C10C9H9A151.0°150.0°
C10C11C12H12179.9°179.9°
C11C10C15H15179.9°179.7°
C15C10C11C120.0°0.3°
C10C15C14C130.1°0.4°
C10C15C14H15180.0°179.9°
C15C10C9H9149.2°149.7°
C15C10C9H9A29.3°29.7°
C15C10C11H11180.0°179.8°
C10C15C14H14179.9°179.7°
C11C12C13H12180.0°179.9°
C11C12C13C140.1°0.1°
C11C12C13C16179.9°180.0°
C12C13C14C16180.0°179.9°
C12C13C14C150.0°0.1°
C13C12C11H11179.9°180.0°
C12C13C14H14180.0°180.0°
C12C13C16H1674.1°30.1°
C12C13C16H16A45.9°150.1°
C13C14C15H14180.0°179.9°
C14C13C12H12179.9°180.0°
C13C14C15H15179.9°179.8°
C14C13C16H16105.9°150.0°
C14C13C16H16A134.1°30.0°
C16C13C14C15180.0°179.8°
C13C16N4HN4109.1°0.0°
C16C13C12H120.1°0.1°
C16C13C14H140.0°0.1°
C13C16H16H16A118.7°119.9°
C17C18C20H18180.0°179.9°
C18C17C19C210.2°0.3°
C17C18C20C230.0°0.0°
C18C17N5HN5117.1°38.1°
C18C17C19H19179.8°179.7°
C17C18C20H20180.0°180.0°
C19C17C18C200.1°0.3°
C17C19C21H19180.0°180.0°
C17C19C21C230.1°0.0°
C19C17N5HN562.8°141.6°
C19C17C18H18179.9°179.8°
C17C19C21H21179.9°180.0°
C18C20C23H20180.0°180.0°
C18C20C23C210.0°0.3°
C18C20C23C24180.0°180.0°
C19C21C23C200.1°0.3°
C19C21C23H21180.0°180.0°
C19C21C23C24180.0°180.0°
C20C23C21C24180.0°179.7°
C23C20C18H18180.0°180.0°
C20C23C21H21180.0°179.7°
C23C21C19H19179.8°180.0°
C21C23C20H20180.0°179.7°
C24C23C20H200.0°0.0°
C24C23C21H210.0°0.0°
H4C4H4AH4B120.0°120.1°
HN4N4C16H1610.9°120.0°
HN4N4C16H16A130.9°119.9°
H5C5C6H6128.2°171.9°
H5AC5C6H6111.8°68.1°
H6C6C7H762.2°69.7°
H6C6C7H7A177.9°50.3°
H6C6C7H7B57.9°170.2°
H6C6C8H862.1°60.0°
H6C6C8H8A57.8°59.9°
H6C6C8H8B177.9°180.0°
H7C7H7AH7B120.0°120.1°
H8C8H8AH8B120.0°120.0°
H11C11C12H120.1°0.0°
H14C14C15H150.1°0.2°
H18C18C20H200.0°0.1°
H19C19C21H210.1°0.0°

224201

PDB entries from 2024-08-28

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