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SS5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.38Å1.42ÅAromatic
C2C3doub1.38Å1.41ÅAromatic
C3C4sing1.38Å1.43ÅAromatic
C4C5doub1.39Å1.44ÅAromatic
C1C6doub1.38Å1.42ÅAromatic
C5C6sing1.39Å1.41ÅAromatic
C1C7sing1.51Å1.50Å
C5O8sing1.36Å1.42Å
C7C9sing1.53Å1.52Å
C9C10sing1.53Å1.53Å
C10O11sing1.43Å1.42Å
C9N12sing1.47Å1.46Å
O11C13sing1.36Å1.41Å
C13C14sing1.39Å1.43ÅAromatic
C14N15doub1.32Å1.35ÅAromatic
N15C16sing1.32Å1.36ÅAromatic
C16C17doub1.39Å1.42ÅAromatic
C13C18doub1.39Å1.41ÅAromatic
C17C18sing1.40Å1.41ÅAromatic
C19C20doub1.36Å1.42ÅAromatic
C20C21sing1.39Å1.39ÅAromatic
C21C22doub1.41Å1.45ÅAromatic
C22C23sing1.40Å1.40ÅAromatic
C17C24sing1.48Å1.52ÅAromatic
C19C24sing1.40Å1.43ÅAromatic
C23C24doub1.39Å1.44ÅAromatic
C21N25sing1.37Å1.36ÅAromatic
N25N26sing1.40Å1.34ÅAromatic
C22C27sing1.46Å1.46ÅAromatic
N26C27doub1.30Å1.33ÅAromatic
C27C28sing1.51Å1.51Å
O8C29sing1.43Å1.42Å
C29C30sing1.53Å1.55Å
C30C31sing1.53Å1.55Å
C31C32sing1.53Å1.55Å
C32C33sing1.53Å1.55Å
C33C34sing1.53Å1.54Å
C30C35sing1.53Å1.56Å
C34C35sing1.53Å1.54Å
C2H2sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7H7C1sing1.09Å1.10Å
C7H7C2sing1.09Å1.10Å
C3H3sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C9H9sing1.09Å1.10Å
C29H291sing1.09Å1.10Å
C29H292sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
N12H121sing1.01Å1.00Å
N12H122sing1.01Å1.00Å
C14H14sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
N25H25sing0.97Å1.00Å
C23H23sing1.08Å1.08Å
C28H281sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C28H283sing1.09Å1.10Å
C30H30sing1.09Å1.10Å
C31H311sing1.09Å1.10Å
C31H312sing1.09Å1.10Å
C35H351sing1.09Å1.10Å
C35H352sing1.09Å1.10Å
C32H321sing1.09Å1.10Å
C32H322sing1.09Å1.10Å
C33H331sing1.09Å1.10Å
C33H332sing1.09Å1.10Å
C34H341sing1.09Å1.10Å
C34H342sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3120.0°120.1°
C2C1C6119.2°120.1°
C2C1C7123.0°120.0°
C1C2H2119.9°119.9°
C2C3C4120.2°120.0°
C3C2H2120.0°119.9°
C2C3H3119.9°120.0°
C3C4C5120.3°120.0°
C4C3H3119.9°120.0°
C3C4H4119.8°120.0°
C4C5C6117.8°119.9°
C4C5O8127.3°120.1°
C5C4H4119.9°120.0°
C1C6C5122.5°119.9°
C6C1C7117.8°119.9°
C1C6H6118.8°120.1°
C6C5O8114.9°120.0°
C5C6H6118.8°120.0°
C1C7C9115.3°109.5°
C1C7H7C1107.6°109.5°
C1C7H7C2106.2°109.5°
C5O8C29118.7°117.0°
C7C9C10108.9°109.5°
C7C9N12110.2°109.5°
C9C7H7C1107.6°109.5°
C9C7H7C2106.3°109.4°
C7C9H9108.9°109.4°
C9C10O11110.3°109.4°
C10C9N12108.0°109.5°
C10C9H9111.1°109.4°
C9C10H101109.2°109.5°
C9C10H102108.9°109.4°
C10O11C13117.0°117.0°
O11C10H101109.2°109.5°
O11C10H102109.0°109.5°
N12C9H9109.8°109.5°
C9N12H121109.5°111.0°
C9N12H122109.5°111.0°
O11C13C14125.7°120.4°
O11C13C18117.4°120.5°
C13C14N15121.9°121.0°
C14C13C18116.9°119.1°
C13C14H14119.0°119.5°
C14N15C16120.0°121.9°
N15C14H14119.0°119.6°
N15C16C17122.8°120.7°
N15C16H16118.6°119.6°
C16C17C18116.3°119.0°
C16C17C24122.0°120.5°
C17C16H16118.6°119.7°
C13C18C17122.0°118.3°
C13C18H18119.0°120.8°
C18C17C24121.7°120.5°
C17C18H18119.0°120.9°
C19C20C21119.7°120.2°
C20C19C24122.1°120.7°
C20C19H19118.9°119.6°
C19C20H20120.1°119.9°
C20C21C22120.4°119.7°
C20C21N25135.8°133.6°
C21C20H20120.1°119.9°
C21C22C23119.2°119.7°
C22C21N25103.8°106.7°
C21C22C27107.0°106.3°
C22C23C24121.3°119.5°
C23C22C27133.8°133.9°
C22C23H23119.3°120.2°
C17C24C19120.6°119.9°
C17C24C23122.2°119.9°
C19C24C23117.2°120.2°
C24C19H19119.0°119.7°
C24C23H23119.3°120.3°
C21N25N26112.3°109.1°
C21N25H25123.9°125.5°
N25N26C27111.3°110.1°
N26N25H25123.8°125.4°
C22C27N26105.5°107.8°
C22C27C28130.5°126.1°
N26C27C28124.0°126.1°
C27C28H281109.5°109.5°
C27C28H282109.5°109.4°
C27C28H283109.4°109.5°
O8C29C30113.5°109.5°
O8C29H291108.2°109.5°
O8C29H292107.3°109.5°
C29C30C31112.0°109.5°
C29C30C35111.8°109.4°
C30C29H291108.1°109.4°
C30C29H292107.2°109.5°
C29C30H30106.3°109.5°
C30C31C32111.8°109.5°
C31C30C35110.1°109.5°
C31C30H30108.1°109.5°
C30C31H311108.7°109.4°
C30C31H312108.2°109.5°
C31C32C33112.1°109.5°
C32C31H311108.7°109.4°
C32C31H312108.2°109.4°
C31C32H321108.6°109.4°
C31C32H322108.0°109.5°
C32C33C34112.6°109.5°
C33C32H321108.6°109.5°
C33C32H322108.0°109.5°
C32C33H331108.4°109.5°
C32C33H332107.7°109.5°
C33C34C35111.8°109.4°
C34C33H331108.4°109.5°
C34C33H332107.8°109.5°
C33C34H341108.7°109.5°
C33C34H342108.2°109.4°
C30C35C34112.5°109.5°
C35C30H30108.3°109.5°
C30C35H351108.5°109.5°
C30C35H352107.8°109.5°
C34C35H351108.5°109.5°
C34C35H352107.8°109.4°
C35C34H341108.7°109.5°
C35C34H342108.2°109.5°
H7C1C7H7C2114.1°109.5°
H291C29H292112.6°109.4°
H101C10H102110.2°109.5°
H121N12H122109.5°111.0°
H281C28H282109.5°109.5°
H281C28H283109.4°109.5°
H282C28H283109.5°109.5°
H311C31H312111.3°109.6°
H351C35H352111.9°109.5°
H321C32H322111.5°109.5°
H331C33H332111.9°109.5°
H341C34H342111.3°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3H2180.0°180.0°
C1C2C3C40.1°0.1°
C2C1C6C7179.4°179.8°
C2C1C6C50.1°0.1°
C2C1C7C986.1°89.9°
C2C1C6H6179.9°180.0°
C2C1C7H7C1153.9°150.0°
C2C1C7H7C231.3°30.0°
C1C2C3H3179.9°180.0°
C2C3C4H3180.0°179.9°
C2C3C4C50.1°0.1°
C3C2C1C60.0°0.0°
C3C2C1C7179.4°179.7°
C2C3C4H4179.9°180.0°
C3C4C5H4180.0°179.9°
C3C4C5C60.0°0.1°
C3C4C5O8179.8°180.0°
C4C3C2H2179.9°180.0°
C4C5C6C10.1°0.1°
C4C5C6O8179.8°179.9°
C4C5O8C290.2°0.1°
C4C5C6H6179.9°180.0°
C5C4C3H3180.0°180.0°
C1C6C5H6180.0°180.0°
C1C6C5O8179.7°180.0°
C6C1C7C994.5°90.3°
C6C1C2H2180.0°180.0°
C6C1C7H7C125.5°29.7°
C6C1C7H7C2148.1°149.8°
C5C6C1C7179.4°179.7°
C6C5O8C29179.6°180.0°
C6C5C4H4180.0°180.0°
C1C7C9H7C1120.0°120.0°
C1C7C9H7C2117.4°120.0°
C1C7C9C10175.8°175.0°
C1C7C9N1265.9°65.0°
C7C1C2H20.6°0.2°
C7C1C6H60.6°0.2°
C1C7H7C1H7C2117.6°120.0°
C1C7C9H954.5°55.1°
C5O8C29C30178.9°180.0°
O8C5C6H60.3°0.1°
O8C5C4H40.2°0.1°
C5O8C29H29159.0°60.1°
C5O8C29H29262.8°59.9°
C7C9C10N12119.7°120.0°
C7C9C10H9119.9°119.9°
C7C9C10O11178.0°174.9°
C7C9N12H9119.9°120.0°
C9C7H7C1H7C2117.6°120.0°
C7C9C10H10157.9°54.9°
C7C9C10H10262.4°65.1°
C7C9N12H12161.6°176.0°
C7C9N12H12258.4°60.0°
C9C10O11H101120.0°120.0°
C9C10O11H102119.6°119.9°
C10C9N12H9121.2°120.0°
C9C10O11C13177.9°179.9°
C10C9C7H7C155.8°55.0°
C10C9C7H7C266.8°65.1°
C9C10H101H102119.6°120.0°
C10C9N12H12157.2°64.0°
C10C9N12H122177.3°60.0°
O11C10C9N1262.4°65.0°
C10O11C13C1414.2°0.0°
C10O11C13C18166.1°179.7°
O11C10C9H958.0°55.0°
O11C10H101H102119.7°120.0°
N12C9C7H7C1174.0°175.0°
N12C9C7H7C251.5°55.0°
N12C9C10H101177.6°175.0°
N12C9C10H10257.2°55.0°
C9N12H121H122120.0°124.0°
O11C13C14C18179.7°179.8°
O11C13C14N15179.8°179.9°
O11C13C18C17179.9°179.8°
C13O11C10H10157.8°60.0°
C13O11C10H10262.5°60.0°
O11C13C14H140.2°0.0°
O11C13C18H180.1°0.1°
C13C14N15H14180.0°179.9°
C13C14N15C160.1°0.0°
C14C13C18C170.2°0.5°
C14C13C18H18179.8°179.7°
C14N15C16C170.2°0.0°
N15C14C13C180.1°0.3°
C14N15C16H16179.8°180.0°
N15C16C17H16180.0°180.0°
N15C16C17C180.1°0.2°
N15C16C17C24179.3°180.0°
C16N15C14H14179.9°180.0°
C16C17C18C130.1°0.4°
C16C17C18C24179.1°179.8°
C16C17C24C1926.0°180.0°
C16C17C24C23154.9°0.1°
C16C17C18H18179.9°179.7°
C13C18C17H18180.0°179.9°
C13C18C17C24179.0°179.8°
C18C13C14H14179.9°179.8°
C18C17C24C19153.1°0.2°
C18C17C24C2326.0°179.8°
C18C17C16H16179.9°179.8°
C19C20C21H20180.0°180.0°
C19C20C21C220.2°0.1°
C20C19C24C17179.1°180.0°
C20C19C24H19180.0°179.7°
C20C19C24C230.0°0.0°
C19C20C21N25179.8°180.0°
C20C21C22N25180.0°180.0°
C20C21C22C230.1°0.1°
C21C20C19C240.1°0.0°
C20C21N25N26179.9°180.0°
C20C21C22C27180.0°180.0°
C21C20C19H19179.9°179.7°
C20C21N25H250.0°0.0°
C21C22C23C27179.9°180.0°
C21C22C23C240.1°0.0°
C22C21N25N260.0°0.0°
C21C22C27N260.1°0.0°
C21C22C27C28179.9°180.0°
C22C21C20H20179.9°180.0°
C22C21N25H25180.0°180.0°
C21C22C23H23179.9°180.0°
C22C23C24C17179.0°180.0°
C22C23C24C190.1°0.0°
C22C23C24H23180.0°179.9°
C23C22C21N25179.9°180.0°
C23C22C27N26179.8°180.0°
C23C22C27C280.0°0.0°
C17C24C19C23179.2°180.0°
C24C17C18H181.0°0.1°
C24C17C16H160.7°0.1°
C17C24C19H190.9°0.4°
C17C24C23H231.0°0.1°
C24C19C20H20179.9°180.0°
C19C24C23H23179.9°180.0°
C24C23C22C27179.9°180.0°
C23C24C19H19180.0°179.7°
C21N25N26H25180.0°180.0°
N25C21C22C270.1°0.0°
C21N25N26C270.1°0.0°
N25C21C20H200.2°0.0°
N25N26C27C220.1°0.0°
N25N26C27C28179.9°180.0°
C22C27N26C28179.8°180.0°
C27C22C23H230.2°0.1°
C22C27C28H2811.2°90.0°
C22C27C28H282121.3°150.0°
C22C27C28H283118.7°30.0°
C27N26N25H25179.9°180.0°
N26C27C28H281179.0°89.9°
N26C27C28H28259.0°30.1°
N26C27C28H28361.0°150.0°
C27C28H281H282120.0°120.0°
C27C28H281H283120.0°120.0°
C27C28H282H283120.0°120.0°
O8C29C30H291120.0°120.0°
O8C29C30H292118.3°120.1°
O8C29C30C31101.9°175.0°
O8C29C30C3522.2°65.0°
O8C29H291H292118.4°120.0°
O8C29C30H30140.2°54.9°
C29C30C31C35125.1°120.0°
C29C30C31H30116.8°120.0°
C29C30C31C32179.5°180.0°
C29C30C35H30116.8°120.0°
C29C30C35C34179.3°180.0°
C30C29H291H292118.3°120.0°
C29C30C31H31159.5°60.1°
C29C30C31H31261.4°60.0°
C29C30C35H35160.7°60.0°
C29C30C35H35260.6°60.0°
C30C31C32H311120.0°120.0°
C30C31C32H312119.0°119.9°
C30C31C32C3354.2°60.0°
C31C30C35H30118.0°120.0°
C31C30C35C3455.5°60.0°
C31C30C29H291138.1°55.0°
C31C30C29H29216.4°65.0°
C30C31H311H312119.0°120.0°
C31C30C35H35164.5°60.0°
C31C30C35H352174.2°180.0°
C30C31C32H32165.8°60.0°
C30C31C32H322173.1°180.0°
C31C32C33H321120.0°120.0°
C31C32C33H322118.9°120.0°
C31C32C33C3451.9°60.0°
C32C31C30C3555.4°60.0°
C32C31C30H3062.8°60.0°
C32C31H311H312119.0°120.0°
C31C32H321H322118.9°120.0°
C31C32C33H331171.9°180.0°
C31C32C33H33266.8°60.0°
C32C33C34H331120.0°120.0°
C32C33C34H332118.7°120.0°
C32C33C34C3551.5°60.0°
C33C32C31H311174.2°179.9°
C33C32C31H31264.8°60.0°
C33C32H321H322119.0°120.0°
C32C33H331H332118.7°120.0°
C32C33C34H34168.5°60.0°
C32C33C34H342170.5°180.0°
C33C34C35C3053.7°60.0°
C33C34C35H341120.0°120.0°
C33C34C35H342119.0°120.0°
C33C34C35H35166.3°60.0°
C33C34C35H352172.4°180.0°
C34C33C32H32168.1°60.0°
C34C33C32H322170.8°180.0°
C34C33H331H332118.7°120.0°
C33C34H341H342119.1°120.0°
C30C35C34H351120.0°120.0°
C30C35C34H352118.7°120.0°
C35C30C29H29197.8°175.0°
C35C30C29H292140.5°55.0°
C35C30C31H311175.4°179.9°
C35C30C31H31263.6°59.9°
C30C35H351H352118.8°120.0°
C30C35C34H34166.3°60.0°
C30C35C34H342172.7°180.0°
C34C35C30H3062.5°60.0°
C34C35H351H352118.8°120.0°
C35C34C33H331171.5°180.0°
C35C34C33H33267.2°60.0°
C35C34H341H342119.1°120.1°
H2C2C3H30.1°0.0°
H7C1C7C9H965.5°65.0°
H7C2C7C9H9171.9°175.0°
H3C3C4H40.0°0.0°
H9C9C10H10162.0°65.0°
H9C9C10H102177.7°175.0°
H9C9N12H121178.5°56.0°
H9C9N12H12261.5°180.0°
H291C29C30H3020.2°65.0°
H292C29C30H30101.5°175.0°
H19C19C20H200.1°0.3°
H281C28H282H283120.0°120.0°
H30C30C31H31157.2°59.9°
H30C30C31H312178.2°180.0°
H30C30C35H351177.5°180.0°
H30C30C35H35256.2°60.0°
H311C31C32H32154.2°60.0°
H311C31C32H32266.9°60.1°
H312C31C32H321175.2°179.9°
H312C31C32H32254.1°60.0°
H351C35C34H341173.7°180.0°
H351C35C34H34252.8°60.0°
H352C35C34H34152.4°60.0°
H352C35C34H34268.6°60.0°
H321C32C33H33151.9°60.0°
H321C32C33H332173.2°180.0°
H322C32C33H33169.2°60.0°
H322C32C33H33252.1°60.0°
H331C33C34H34151.5°60.0°
H331C33C34H34269.5°60.0°
H332C33C34H341172.9°180.0°
H332C33C34H34251.9°60.0°

246905

PDB entries from 2025-12-31

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