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NS1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1CM1sing1.53Å1.54Å
C1CM2sing1.53Å1.54Å
C1C2sing1.53Å1.33Å
C1H1sing1.09Å1.10Å
CM1HM11sing1.09Å1.10Å
CM1HM12sing1.09Å1.10Å
CM1HM13sing1.09Å1.10Å
CM2HM21sing1.09Å1.10Å
CM2HM22sing1.09Å1.10Å
CM2HM23sing1.09Å1.10Å
C2C3sing1.53Å1.54Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C3C4sing1.53Å1.54Å
C3H31sing1.09Å1.10Å
C3H32sing1.09Å1.10Å
C4C5sing1.51Å1.54Å
C4H41sing1.09Å1.10Å
C4H42sing1.09Å1.10Å
C5C6sing1.51Å1.54Å
C5C7doub1.31Å1.33Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C6H63sing1.09Å1.10Å
C7C8sing1.51Å1.54Å
C7H7sing1.08Å1.08Å
C8C9sing1.53Å1.54Å
C8H81sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
C9C10sing1.51Å1.53Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C10C11sing1.51Å1.51Å
C10C12doub1.34Å1.39Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C11H113sing1.09Å1.10Å
C12C13sing1.42Å1.39Å
C12H12sing1.08Å1.08Å
C13C14doub1.36Å1.38Å
C13H13sing1.08Å1.08Å
C14C15sing1.41Å1.38Å
C14H14sing1.08Å1.08Å
C15C16sing1.51Å1.53Å
C15C17doub1.36Å1.40Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C16H163sing1.09Å1.10Å
C17C18sing1.40Å1.40Å
C17H17sing1.08Å1.08Å
C18C19doub1.38Å1.41Å
C18H18sing1.08Å1.08Å
C19C20sing1.40Å1.39Å
C19H19sing1.08Å1.08Å
C20C21doub1.38Å1.41Å
C20H20sing1.08Å1.08Å
C21C22sing1.51Å1.55Å
C21C23sing1.40Å1.41Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C22H223sing1.09Å1.10Å
C23C24doub1.38Å1.42Å
C23H23sing1.08Å1.08Å
C24C25sing1.40Å1.42Å
C24H24sing1.08Å1.08Å
C25C26doub1.36Å1.42Å
C25H25sing1.08Å1.08Å
C26C27sing1.51Å1.54Å
C26C28sing1.41Å1.42Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
C28C29doub1.36Å1.41Å
C28H28sing1.08Å1.08Å
C29C30sing1.42Å1.42Å
C29H29sing1.08Å1.08Å
C30C31doub1.34Å1.42Å
C30H30sing1.08Å1.08Å
C31C32sing1.51Å1.54Å
C31C33sing1.51Å1.55Å
C32H321sing1.09Å1.10Å
C32H322sing1.09Å1.10Å
C32H323sing1.09Å1.10Å
C33C34sing1.53Å1.54Å
C33H331sing1.09Å1.10Å
C33H332sing1.09Å1.10Å
C34C35sing1.51Å1.54Å
C34H341sing1.09Å1.10Å
C34H342sing1.09Å1.10Å
C35C36doub1.31Å1.54Å
C35H351sing1.08Å1.08Å
C36CM3sing1.51Å1.54Å
C36CM4sing1.51Å1.54Å
CM3HM31sing1.09Å1.10Å
CM3HM32sing1.09Å1.10Å
CM3HM33sing1.09Å1.10Å
CM4HM41sing1.09Å1.10Å
CM4HM42sing1.09Å1.10Å
CM4HM43sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CM1C1CM2119.8°109.5°
CM1C1C2120.0°109.5°
CM1C1H1144.2°109.5°
C1CM1HM11109.5°109.5°
C1CM1HM12109.4°109.5°
C1CM1HM13109.4°109.5°
CM2C1C2120.2°109.5°
CM2C1H195.3°109.4°
C1CM2HM21109.5°109.4°
C1CM2HM22109.5°109.5°
C1CM2HM23109.5°109.5°
C2C1H125.8°109.5°
C1C2C3120.2°109.5°
C1C2H21106.0°109.5°
C1C2H22103.5°109.5°
HM11CM1HM12109.4°109.5°
HM11CM1HM13109.5°109.4°
HM12CM1HM13109.5°109.4°
HM21CM2HM22109.5°109.5°
HM21CM2HM23109.4°109.4°
HM22CM2HM23109.5°109.5°
C3C2H21106.0°109.4°
C3C2H22103.6°109.4°
C2C3C4110.5°109.5°
C2C3H31109.1°109.4°
C2C3H32108.9°109.4°
H21C2H22118.3°109.4°
C4C3H31109.1°109.5°
C4C3H32108.9°109.5°
C3C4C5109.5°109.5°
C3C4H41109.5°109.5°
C3C4H42109.5°109.5°
H31C3H32110.4°109.5°
C5C4H41109.5°109.4°
C5C4H42109.5°109.4°
C4C5C6119.8°120.0°
C4C5C7120.9°120.0°
H41C4H42109.5°109.5°
C6C5C7119.3°120.0°
C5C6H61109.5°109.4°
C5C6H62109.5°109.4°
C5C6H63109.5°109.4°
C5C7C8119.3°120.0°
C5C7H7120.3°120.0°
H61C6H62109.5°109.5°
H61C6H63109.5°109.5°
H62C6H63109.5°109.5°
C8C7H7120.4°120.0°
C7C8C9109.5°109.4°
C7C8H81109.4°109.5°
C7C8H82109.4°109.4°
C9C8H81109.5°109.5°
C9C8H82109.5°109.5°
C8C9C10112.5°109.4°
C8C9H91108.5°109.5°
C8C9H92107.8°109.5°
H81C8H82109.5°109.5°
C10C9H91108.5°109.4°
C10C9H92107.8°109.5°
C9C10C11120.3°120.0°
C9C10C12120.2°120.0°
H91C9H92111.8°109.5°
C11C10C12119.4°120.1°
C10C11H111109.5°109.5°
C10C11H112109.4°109.5°
C10C11H113109.5°109.5°
C10C12C13122.3°120.0°
C10C12H12118.9°120.0°
H111C11H112109.4°109.5°
H111C11H113109.5°109.4°
H112C11H113109.5°109.5°
C13C12H12118.8°120.0°
C12C13C14118.1°120.0°
C12C13H13121.0°120.0°
C14C13H13121.0°120.0°
C13C14C15118.5°120.0°
C13C14H14120.8°120.0°
C15C14H14120.8°120.0°
C14C15C16117.0°120.0°
C14C15C17122.6°120.0°
C16C15C17120.0°120.0°
C15C16H161109.5°109.5°
C15C16H162109.5°109.4°
C15C16H163109.4°109.5°
C15C17C18123.3°120.0°
C15C17H17118.4°120.0°
H161C16H162109.4°109.5°
H161C16H163109.4°109.5°
H162C16H163109.5°109.5°
C18C17H17118.4°120.0°
C17C18C19118.5°120.0°
C17C18H18120.8°120.0°
C19C18H18120.8°120.1°
C18C19C20122.2°120.0°
C18C19H19118.9°120.0°
C20C19H19118.9°120.0°
C19C20C21134.2°120.0°
C19C20H20112.9°120.0°
C21C20H20112.9°120.0°
C20C21C22119.6°120.0°
C20C21C23121.9°120.0°
C22C21C23118.5°120.0°
C21C22H221109.5°109.5°
C21C22H222109.5°109.5°
C21C22H223109.4°109.4°
C21C23C24120.1°120.0°
C21C23H23119.9°120.0°
H221C22H222109.5°109.5°
H221C22H223109.5°109.5°
H222C22H223109.5°109.4°
C24C23H23120.0°119.9°
C23C24C25122.0°120.0°
C23C24H24119.0°119.9°
C25C24H24119.0°120.0°
C24C25C26125.0°120.0°
C24C25H25117.5°120.0°
C26C25H25117.5°120.0°
C25C26C27119.1°119.9°
C25C26C28119.9°120.0°
C27C26C28120.8°120.0°
C26C27H271109.5°109.4°
C26C27H272109.5°109.4°
C26C27H273109.5°109.5°
C26C28C29125.1°120.0°
C26C28H28117.5°120.0°
H271C27H272109.4°109.5°
H271C27H273109.5°109.5°
H272C27H273109.5°109.5°
C29C28H28117.4°120.0°
C28C29C30122.5°120.0°
C28C29H29118.7°120.0°
C30C29H29118.8°120.0°
C29C30C31121.5°120.0°
C29C30H30119.2°120.0°
C31C30H30119.2°120.0°
C30C31C32119.4°120.0°
C30C31C33123.2°120.0°
C32C31C33117.5°120.0°
C31C32H321109.5°109.5°
C31C32H322109.5°109.5°
C31C32H323109.5°109.5°
C31C33C34107.8°109.4°
C31C33H331110.0°109.5°
C31C33H332110.4°109.4°
H321C32H322109.5°109.4°
H321C32H323109.5°109.5°
H322C32H323109.4°109.5°
C34C33H331110.1°109.5°
C34C33H332110.4°109.5°
C33C34C35111.2°109.4°
C33C34H341108.9°109.5°
C33C34H342108.5°109.5°
H331C33H332108.1°109.6°
C35C34H341108.9°109.5°
C35C34H342108.5°109.5°
C34C35C36110.0°119.9°
C34C35H351125.0°120.0°
H341C34H342110.8°109.4°
C36C35H351125.0°120.0°
C35C36CM3110.1°120.1°
C35C36CM4109.7°120.0°
CM3C36CM4109.6°120.0°
C36CM3HM31109.5°109.4°
C36CM3HM32109.5°109.5°
C36CM3HM33109.4°109.4°
C36CM4HM41109.5°109.5°
C36CM4HM42109.4°109.4°
C36CM4HM43109.5°109.5°
HM31CM3HM32109.4°109.6°
HM31CM3HM33109.5°109.4°
HM32CM3HM33109.5°109.5°
HM41CM4HM42109.5°109.5°
HM41CM4HM43109.5°109.5°
HM42CM4HM43109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CM1C1CM2C2180.0°120.0°
CM1C1CM2H1172.7°120.0°
CM1C1C2H1163.2°120.0°
C1CM1HM11HM12120.0°120.0°
C1CM1HM11HM13120.0°120.0°
C1CM1HM12HM13120.0°120.0°
CM1C1CM2HM21173.9°60.0°
CM1C1CM2HM2266.1°180.0°
CM1C1CM2HM2354.0°60.0°
CM1C1C2C3179.9°65.0°
CM1C1C2H2160.1°175.0°
CM1C1C2H2265.2°55.0°
CM2C1C2H116.9°119.9°
CM2C1CM1HM118.6°180.0°
CM2C1CM1HM12111.4°60.0°
CM2C1CM1HM13128.6°60.0°
C1CM2HM21HM22120.0°120.0°
C1CM2HM21HM23120.0°120.0°
C1CM2HM22HM23120.0°120.1°
CM2C1C2C30.1°175.0°
CM2C1C2H21119.9°55.0°
CM2C1C2H22114.9°65.0°
C2C1CM1HM11171.4°60.0°
C2C1CM1HM1268.7°60.0°
C2C1CM1HM1351.4°180.0°
C2C1CM2HM216.0°60.0°
C2C1CM2HM22114.0°60.0°
C2C1CM2HM23126.0°180.0°
C1C2C3H21120.0°120.1°
C1C2C3H22114.7°120.0°
C1C2H21H22115.5°120.0°
C1C2C3C4178.8°180.0°
C1C2C3H3161.2°59.9°
C1C2C3H3259.3°60.0°
H1C1CM1HM11176.2°60.0°
H1C1CM1HM1256.2°180.0°
H1C1CM1HM1363.8°60.0°
H1C1CM2HM2113.3°180.0°
H1C1CM2HM22106.7°60.0°
H1C1CM2HM23133.3°60.0°
H1C1C2C316.8°55.0°
H1C1C2H21136.8°65.0°
H1C1C2H2298.0°175.0°
HM11CM1HM12HM13120.0°119.9°
HM21CM2HM22HM23120.0°120.0°
C3C2H21H22115.6°119.9°
C2C3C4H31120.0°120.0°
C2C3C4H32119.5°120.0°
C2C3H31H32119.6°119.9°
C2C3C4C5178.0°180.0°
C2C3C4H4162.0°60.0°
C2C3C4H4258.0°60.0°
H21C2C3C458.8°59.9°
H21C2C3H31178.8°NaN°
H21C2C3H3260.7°60.1°
H22C2C3C466.4°60.0°
H22C2C3H3153.5°60.1°
H22C2C3H32174.0°179.9°
C4C3H31H32119.6°120.0°
C3C4C5H41120.0°120.0°
C3C4C5H42120.0°120.0°
C3C4H41H42120.0°120.0°
C3C4C5C63.8°85.0°
C3C4C5C7176.3°95.0°
H31C3C4C558.0°60.0°
H31C3C4H41178.0°180.0°
H31C3C4H4262.0°60.0°
H32C3C4C562.5°60.0°
H32C3C4H4157.5°60.0°
H32C3C4H42177.5°180.0°
C5C4H41H42120.0°119.9°
C4C5C6C7179.9°179.9°
C4C5C6H61171.1°5.0°
C4C5C6H6268.9°115.0°
C4C5C6H6351.1°125.0°
C4C5C7C8179.5°174.5°
C4C5C7H70.5°5.6°
H41C4C5C6116.2°155.0°
H41C4C5C763.7°25.1°
H42C4C5C6123.8°35.0°
H42C4C5C756.3°145.0°
C5C6H61H62120.0°120.0°
C5C6H61H63120.0°119.9°
C5C6H62H63120.0°120.0°
C6C5C7C80.6°5.5°
C6C5C7H7179.4°174.4°
C7C5C6H618.8°175.0°
C7C5C6H62111.3°65.0°
C7C5C6H63128.7°55.1°
C5C7C8H7180.0°179.9°
C5C7C8C9171.4°119.2°
C5C7C8H8168.6°120.8°
C5C7C8H8251.4°0.8°
H61C6H62H63120.0°120.1°
C7C8C9H81120.0°120.0°
C7C8C9H82119.9°119.9°
C7C8H81H82119.9°120.0°
C7C8C9C10170.3°180.0°
C7C8C9H9169.7°60.0°
C7C8C9H9251.6°60.1°
H7C7C8C98.6°60.9°
H7C7C8H81111.4°59.1°
H7C7C8H82128.6°179.1°
C9C8H81H82120.0°120.1°
C8C9C10H91120.0°120.0°
C8C9C10H92118.7°120.0°
C8C9H91H92118.8°120.1°
C8C9C10C1117.5°85.0°
C8C9C10C12162.0°95.0°
H81C8C9C1050.4°60.0°
H81C8C9H91170.4°180.0°
H81C8C9H9268.4°59.9°
H82C8C9C1069.7°60.0°
H82C8C9H9150.3°59.9°
H82C8C9H92171.6°180.0°
C10C9H91H92118.8°120.0°
C9C10C11C12179.5°180.0°
C9C10C11H111162.1°90.0°
C9C10C11H11278.0°150.0°
C9C10C11H11342.0°30.0°
C9C10C12C13156.8°180.0°
C9C10C12H1223.2°0.0°
H91C9C10C11102.5°155.0°
H91C9C10C1278.0°25.0°
H92C9C10C11136.2°35.0°
H92C9C10C1243.3°145.0°
C10C11H111H112120.0°120.0°
C10C11H111H113120.0°120.0°
C10C11H112H113120.0°120.0°
C11C10C12C1322.7°0.0°
C11C10C12H12157.3°180.0°
C12C10C11H11118.4°90.0°
C12C10C11H112101.5°30.0°
C12C10C11H113138.5°150.0°
C10C12C13H12180.0°180.0°
C10C12C13C14176.3°180.0°
C10C12C13H133.6°0.0°
H111C11H112H113120.0°120.0°
C12C13C14H13180.0°180.0°
C12C13C14C15176.2°180.0°
C12C13C14H143.8°0.0°
H12C12C13C143.7°0.0°
H12C12C13H13176.4°180.0°
C13C14C15H14180.0°180.0°
C13C14C15C162.1°0.0°
C13C14C15C17174.3°180.0°
H13C13C14C153.8°0.0°
H13C13C14H14176.3°180.0°
C14C15C16C17172.3°180.0°
C14C15C16H161142.7°90.0°
C14C15C16H16297.3°150.0°
C14C15C16H16322.8°30.0°
C14C15C17C1825.5°0.0°
C14C15C17H17154.5°180.0°
H14C14C15C16177.8°180.0°
H14C14C15C175.7°0.0°
C15C16H161H162120.0°120.0°
C15C16H161H163120.0°120.0°
C15C16H162H163120.0°120.0°
C16C15C17C18162.6°180.0°
C16C15C17H1717.4°0.0°
C17C15C16H16144.9°90.0°
C17C15C16H16275.0°30.0°
C17C15C16H163164.9°150.0°
C15C17C18H17180.0°180.0°
C15C17C18C19169.4°180.0°
C15C17C18H1810.6°0.0°
H161C16H162H163120.0°120.0°
C17C18C19H18180.0°180.0°
C17C18C19C20178.2°180.0°
C17C18C19H191.8°0.0°
H17C17C18C1910.7°0.0°
H17C17C18H18169.4°180.0°
C18C19C20H19180.0°180.0°
C18C19C20C21150.5°180.0°
C18C19C20H2029.5°0.0°
H18C18C19C201.8°0.0°
H18C18C19H19178.2°179.9°
C19C20C21H20180.0°180.0°
C19C20C21C2210.4°0.0°
C19C20C21C23171.2°180.0°
H19C19C20C2129.6°0.0°
H19C19C20H20150.5°179.9°
C20C21C22C23178.4°180.0°
C20C21C22H221128.6°90.0°
C20C21C22H222111.4°149.9°
C20C21C22H2238.6°30.0°
C20C21C23C24155.9°180.0°
C20C21C23H2324.1°0.1°
H20C20C21C22169.6°180.0°
H20C20C21C238.8°0.0°
C21C22H221H222120.0°120.1°
C21C22H221H223120.0°120.0°
C21C22H222H223120.0°119.9°
C22C21C23C2425.7°0.0°
C22C21C23H23154.3°180.0°
C23C21C22H22149.8°90.0°
C23C21C22H22270.2°30.0°
C23C21C22H223169.8°150.0°
C21C23C24H23180.0°179.9°
C21C23C24C25163.8°180.0°
C21C23C24H2416.2°0.0°
H221C22H222H223120.0°120.0°
C23C24C25H24180.0°180.0°
C23C24C25C26173.2°180.0°
C23C24C25H256.7°0.0°
H23C23C24C2516.2°0.0°
H23C23C24H24163.8°179.9°
C24C25C26H25180.0°180.0°
C24C25C26C274.0°0.0°
C24C25C26C28170.7°180.0°
H24C24C25C266.7°0.0°
H24C24C25H25173.3°179.9°
C25C26C27C28174.6°180.0°
C25C26C27H271102.6°90.0°
C25C26C27H272137.4°150.0°
C25C26C27H27317.4°30.0°
C25C26C28C29172.2°180.0°
C25C26C28H287.8°0.1°
H25C25C26C27176.0°180.0°
H25C25C26C289.3°0.0°
C26C27H271H272120.0°119.9°
C26C27H271H273120.0°120.0°
C26C27H272H273120.0°120.0°
C27C26C28C2913.3°0.1°
C27C26C28H28166.8°180.0°
C28C26C27H27172.0°89.9°
C28C26C27H27248.0°30.0°
C28C26C27H273168.0°150.0°
C26C28C29H28180.0°179.9°
C26C28C29C30178.2°180.0°
C26C28C29H291.9°0.1°
H271C27H272H273120.0°120.1°
C28C29C30H29180.0°180.0°
C28C29C30C31175.7°180.0°
C28C29C30H304.3°0.0°
H28C28C29C301.8°0.0°
H28C28C29H29178.1°180.0°
C29C30C31H30180.0°179.9°
C29C30C31C325.2°0.0°
C29C30C31C33175.2°180.0°
H29C29C30C314.2°0.0°
H29C29C30H30175.8°179.9°
C30C31C32C33179.6°180.0°
C30C31C32H321100.1°90.0°
C30C31C32H322139.8°150.0°
C30C31C32H32319.9°30.0°
C30C31C33C34176.8°95.0°
C30C31C33H33156.8°145.0°
C30C31C33H33262.6°24.9°
H30C30C31C32174.8°180.0°
H30C30C31C334.8°0.0°
C31C32H321H322120.0°120.0°
C31C32H321H323120.0°120.0°
C31C32H322H323120.0°120.0°
C32C31C33C343.6°85.0°
C32C31C33H331123.6°34.9°
C32C31C33H332117.0°155.0°
C33C31C32H32180.2°90.0°
C33C31C32H32239.8°30.0°
C33C31C32H323159.7°150.0°
C31C33C34H331120.0°120.0°
C31C33C34H332120.7°119.9°
C31C33H331H332120.7°120.0°
C31C33C34C35171.9°180.0°
C31C33C34H34151.9°60.0°
C31C33C34H34268.8°60.0°
H321C32H322H323120.0°120.0°
C34C33H331H332120.7°120.0°
C33C34C35H341120.0°120.0°
C33C34C35H342119.3°120.0°
C33C34H341H342119.3°120.0°
C33C34C35C36176.7°121.3°
C33C34C35H3513.3°58.6°
H331C33C34C3568.1°60.0°
H331C33C34H341171.9°179.9°
H331C33C34H34251.2°60.0°
H332C33C34C3551.3°60.1°
H332C33C34H34168.7°60.0°
H332C33C34H342170.5°179.9°
C35C34H341H342119.3°120.0°
C34C35C36H351180.0°180.0°
C34C35C36CM360.4°6.0°
C34C35C36CM4178.9°174.0°
H341C34C35C3663.3°1.3°
H341C34C35H351116.7°178.7°
H342C34C35C3657.4°118.7°
H342C34C35H351122.5°61.3°
C35C36CM3CM4120.7°180.0°
C35C36CM3HM31111.2°84.8°
C35C36CM3HM32128.8°155.0°
C35C36CM3HM338.8°35.1°
C35C36CM4HM4174.8°0.0°
C35C36CM4HM42165.2°120.0°
C35C36CM4HM4345.2°119.9°
H351C35C36CM3119.6°174.0°
H351C35C36CM41.1°6.0°
C36CM3HM31HM32120.0°120.1°
C36CM3HM31HM33120.0°119.9°
C36CM3HM32HM33120.0°119.9°
CM3C36CM4HM4146.1°180.0°
CM3C36CM4HM4273.9°60.0°
CM3C36CM4HM43166.1°60.0°
CM4C36CM3HM31128.0°95.1°
CM4C36CM3HM328.1°25.0°
CM4C36CM3HM33111.9°145.0°
C36CM4HM41HM42120.0°120.0°
C36CM4HM41HM43120.0°120.0°
C36CM4HM42HM43120.0°120.0°
HM31CM3HM32HM33120.0°120.0°
HM41CM4HM42HM43120.0°120.0°

226707

PDB entries from 2024-10-30

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