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FR5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N2sing1.35Å1.39ÅAromatic
C1C5doub1.36Å1.31ÅAromatic
C1H1sing1.08Å1.10Å
N2C3sing1.36Å1.37ÅAromatic
N2C13sing1.46Å1.49Å
C3N4doub1.30Å1.26ÅAromatic
C3H3sing1.08Å1.10Å
N4C5sing1.36Å1.42ÅAromatic
C5C8sing1.47Å1.46Å
C8O9doub1.22Å1.26Å
C8N10sing1.35Å1.32Å
N10H101sing0.97Å1.02Å
N10H102sing0.97Å1.02Å
C13C14sing1.53Å1.60Å
C13C18sing1.53Å1.53Å
C13H13sing1.09Å1.12Å
C14O15sing1.43Å1.43Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.11Å
O15H15Osing0.97Å0.95Å
C18C19sing1.53Å1.59Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.11Å
C19N22sing1.47Å1.57Å
C19H191sing1.09Å1.12Å
C19H192sing1.09Å1.12Å
N22C27sing1.37Å1.35ÅAromatic
N22C30sing1.38Å1.33ÅAromatic
C27C28doub1.34Å1.32ÅAromatic
C27H27sing1.08Å1.10Å
C28C29sing1.47Å1.46ÅAromatic
C28H28sing1.08Å1.10Å
C29C30doub1.41Å1.38ÅAromatic
C29C31sing1.40Å1.34ÅAromatic
C30C34sing1.39Å1.30ÅAromatic
C31C32doub1.37Å1.31ÅAromatic
C31H31sing1.08Å1.10Å
C32C33sing1.39Å1.36ÅAromatic
C32H32sing1.08Å1.10Å
C33C34doub1.38Å1.34ÅAromatic
C33N1sing1.40Å1.28Å
C34H34sing1.08Å1.10Å
N1C2sing1.35Å1.25Å
N1HN1sing0.97Å1.02Å
C2O1doub1.21Å1.21Å
C2C4sing1.51Å1.54Å
C4C6sing1.53Å1.55Å
C4H41sing1.09Å1.11Å
C4H42sing1.09Å1.12Å
C6C12sing1.51Å1.54Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.12Å
C9C15doub1.37Å1.40ÅAromatic
C9C17sing1.39Å1.39ÅAromatic
C9H9sing1.08Å1.10Å
C15C10sing1.40Å1.38ÅAromatic
C15H15sing1.08Å1.10Å
C10C16doub1.41Å1.41ÅAromatic
C10N11sing1.36Å1.38ÅAromatic
C16C11sing1.39Å1.37ÅAromatic
C16N13sing1.38Å1.40ÅAromatic
C11C17doub1.38Å1.44ÅAromatic
C11H11sing1.08Å1.10Å
C17H17sing1.08Å1.10Å
N11C12doub1.30Å1.34ÅAromatic
C12N13sing1.36Å1.33ÅAromatic
N13C7sing1.46Å1.45Å
C7H71sing1.09Å1.11Å
C7H72sing1.09Å1.12Å
C7H73sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N2C1C5106.1°106.9°
N2C1H1129.1°126.6°
C1N2C3105.7°107.8°
C1N2C13125.0°126.2°
C5C1H1124.8°126.5°
C1C5N4110.1°107.5°
C1C5C8124.7°126.2°
C3N2C13128.8°126.1°
N2C3N4112.6°109.0°
N2C3H3127.0°125.5°
N2C13C14116.7°109.5°
N2C13C18112.9°109.5°
N2C13H13100.4°109.5°
N4C3H3120.3°125.5°
C3N4C5104.7°108.9°
N4C5C8125.1°126.3°
C5C8O9122.6°120.0°
C5C8N10113.5°120.0°
O9C8N10123.7°120.0°
C8N10H101113.5°120.0°
C8N10H102123.7°120.0°
H101N10H102122.6°120.0°
C14C13C18104.9°109.5°
C14C13H13109.1°109.4°
C13C14O15121.0°109.5°
C13C14H141108.1°109.4°
C13C14H142108.1°109.4°
C18C13H13113.2°109.4°
C13C18C19112.6°109.5°
C13C18H181111.0°109.4°
C13C18H182111.1°109.5°
O15C14H141108.1°109.5°
O15C14H142108.1°109.5°
C14O15H15O121.0°106.8°
H141C14H142101.8°109.4°
C19C18H181111.0°109.5°
C19C18H182111.0°109.5°
C18C19N22111.5°109.5°
C18C19H191111.4°109.5°
C18C19H192111.4°109.5°
H181C18H18299.3°109.5°
N22C19H191111.4°109.4°
N22C19H192111.5°109.5°
C19N22C27124.5°125.1°
C19N22C30122.4°125.1°
H191C19H19298.9°109.5°
C27N22C30113.1°109.8°
N22C27C28108.6°110.0°
N22C27H27126.6°125.0°
N22C30C29104.4°107.2°
N22C30C34133.1°133.4°
C28C27H27124.7°125.0°
C27C28C29105.1°107.0°
C27C28H28123.8°126.5°
C29C28H28131.1°126.5°
C28C29C30108.3°106.1°
C28C29C31131.6°133.9°
C30C29C31118.4°120.0°
C29C30C34122.3°119.4°
C29C31C32119.4°119.9°
C29C31H31121.3°120.0°
C30C34C33117.4°119.7°
C30C34H34119.9°120.1°
C32C31H31119.3°120.1°
C31C32C33120.5°120.4°
C31C32H32117.9°119.8°
C33C32H32121.6°119.8°
C32C33C34121.1°120.5°
C32C33N1125.1°119.8°
C34C33N1113.5°119.7°
C33C34H34122.7°120.1°
C33N1C2129.4°120.0°
C33N1HN1116.9°120.0°
C2N1HN1113.7°120.0°
N1C2O1125.4°120.0°
N1C2C4114.9°120.0°
O1C2C4119.6°120.0°
C2C4C6117.2°109.5°
C2C4H41109.5°109.5°
C2C4H42109.4°109.5°
C6C4H41109.4°109.4°
C6C4H42109.4°109.5°
C4C6C12107.0°109.5°
C4C6H61113.1°109.4°
C4C6H62113.1°109.4°
H41C4H42100.7°109.5°
C12C6H61113.2°109.5°
C12C6H62113.1°109.5°
C6C12N11123.9°124.9°
C6C12N13123.0°124.9°
H61C6H6297.3°109.5°
C15C9C17115.1°120.6°
C15C9H9122.8°119.7°
C9C15C10122.7°119.9°
C9C15H15119.5°120.0°
C17C9H9122.2°119.7°
C9C17C11122.5°120.5°
C9C17H17117.0°119.8°
C10C15H15117.8°120.0°
C15C10C16121.2°119.4°
C15C10N11131.8°133.6°
C16C10N11106.3°107.0°
C10C16C11117.1°119.9°
C10C16N13107.5°106.0°
C10N11C12107.3°109.6°
C11C16N13134.5°134.1°
C16C11C17120.0°119.7°
C16C11H11117.6°120.2°
C16N13C12105.5°107.3°
C16N13C7126.3°126.3°
C17C11H11122.4°120.1°
C11C17H17120.5°119.8°
N11C12N13113.0°110.1°
C12N13C7128.1°126.4°
N13C7H71106.3°109.5°
N13C7H72126.3°109.5°
N13C7H73106.3°109.5°
H71C7H72106.3°109.4°
H71C7H73103.2°109.5°
H72C7H73106.3°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C1C5H1180.0°179.5°
C1N2C3C13172.4°179.7°
C1N2C3N44.9°0.3°
C1N2C3H3175.0°179.7°
N2C1C5N48.5°0.5°
N2C1C5C8174.2°179.8°
C1N2C13C1491.6°119.6°
C1N2C13C1830.0°120.3°
C1N2C13H13150.8°0.3°
C5C1N2C38.1°0.5°
C5C1N2C13164.7°179.8°
C1C5N4C35.5°0.3°
C1C5N4C8177.3°179.7°
C1C5C8O917.0°0.4°
C1C5C8N10168.1°179.7°
H1C1N2C3171.9°180.0°
H1C1N2C1315.3°0.3°
H1C1C5N4171.5°180.0°
H1C1C5C85.8°0.3°
N2C3N4H3180.0°180.0°
N2C3N4C50.1°0.0°
C3N2C13C1497.3°60.0°
C3N2C13C18141.1°60.1°
C3N2C13H1320.3°180.0°
C13N2C3N4167.5°180.0°
C13N2C3H312.5°0.0°
N2C13C14C18125.7°120.1°
N2C13C14H13112.7°120.0°
N2C13C18H13113.2°120.0°
N2C13C14O1543.8°175.6°
N2C13C14H141169.0°55.5°
N2C13C14H14281.4°64.4°
N2C13C18C1958.2°65.4°
N2C13C18H18167.1°54.6°
N2C13C18H182176.6°174.6°
C3N4C5C8177.1°180.0°
H3C3N4C5179.9°180.0°
N4C5C8O9166.0°180.0°
N4C5C8N108.9°0.1°
C5C8O9N10174.4°179.9°
C5C8N10H101180.0°0.1°
C5C8N10H1025.2°180.0°
O9C8N10H1015.2°180.0°
O9C8N10H102180.0°0.0°
C8N10H101H102174.8°180.0°
C14C13C18H13118.8°119.9°
C13C14O15H141125.3°120.0°
C13C14O15H142125.2°120.0°
C13C14H141H142113.7°119.9°
C13C14O15H15O180.0°179.9°
C14C13C18C19173.8°174.5°
C14C13C18H18161.0°65.5°
C14C13C18H18248.5°54.5°
C18C13C14O15169.5°64.4°
C18C13C14H14165.2°175.6°
C18C13C14H14244.3°55.7°
C13C18C19H181125.3°119.9°
C13C18C19H182125.3°120.1°
C13C18H181H182116.9°120.0°
C13C18C19N22167.9°176.3°
C13C18C19H19166.8°63.7°
C13C18C19H19242.7°56.3°
H13C13C14O1568.9°55.6°
H13C13C14H14156.3°64.5°
H13C13C14H142165.8°175.6°
H13C13C18C1955.0°54.6°
H13C13C18H181179.8°174.6°
H13C13C18H18270.3°65.4°
O15C14H141H142113.7°120.1°
H141C14O15H15O54.7°60.1°
H142C14O15H15O54.8°60.0°
C19C18H181H182116.9°120.0°
C18C19N22H191125.2°120.0°
C18C19N22H192125.3°120.0°
C18C19H191H192117.3°120.0°
C18C19N22C2775.2°95.0°
C18C19N22C30105.3°85.0°
H181C18C19N2242.7°56.3°
H181C18C19H191167.9°176.3°
H181C18C19H19282.6°63.7°
H182C18C19N2266.8°63.7°
H182C18C19H19158.5°56.3°
H182C18C19H192168.0°176.3°
N22C19H191H192117.4°120.0°
C19N22C27C30179.5°180.0°
C19N22C27C28176.9°180.0°
C19N22C27H273.2°0.1°
C19N22C30C29173.8°180.0°
C19N22C30C341.3°0.2°
H191C19N22C2750.0°25.0°
H191C19N22C30129.4°155.0°
H192C19N22C27159.5°145.0°
H192C19N22C3019.9°35.0°
N22C27C28H27180.0°179.9°
N22C27C28C291.5°0.0°
N22C27C28H28178.5°179.9°
C27N22C30C295.7°0.0°
C27N22C30C34179.3°179.7°
C30N22C27C282.6°0.0°
C30N22C27H27177.4°180.0°
N22C30C29C286.3°0.0°
N22C30C29C34175.7°179.8°
N22C30C29C31173.5°179.9°
N22C30C34C33176.5°179.8°
N22C30C34H343.5°0.1°
C27C28C29H28180.0°179.9°
C27C28C29C305.0°0.0°
C27C28C29C31169.9°179.9°
H27C27C28C29178.5°179.9°
H27C27C28H281.5°0.0°
C28C29C30C31167.2°179.9°
C28C29C30C34177.9°179.8°
C28C29C31C32171.8°180.0°
C28C29C31H318.2°0.1°
H28C28C29C30175.0°179.9°
H28C28C29C3110.2°0.0°
C30C29C31C328.2°0.1°
C30C29C31H31171.8°180.0°
C29C30C34C339.2°0.5°
C29C30C34H34170.8°179.6°
C31C29C30C3410.7°0.3°
C29C31C32H31180.0°179.9°
C29C31C32C334.8°0.1°
C29C31C32H32175.2°180.0°
C30C34C33C325.4°0.6°
C30C34C33H34180.0°179.9°
C30C34C33N1179.4°179.7°
C31C32C33H32180.0°179.9°
C31C32C33C343.4°0.4°
C31C32C33N1176.6°179.9°
H31C31C32C33175.2°179.9°
H31C31C32H324.8°0.0°
C32C33C34N1174.0°179.7°
C32C33C34H34174.5°179.6°
C32C33N1C23.8°146.7°
C32C33N1HN1176.2°33.3°
H32C32C33C34176.6°179.7°
H32C32C33N13.4°0.0°
C34C33N1C2177.5°33.6°
C34C33N1HN12.5°146.4°
N1C33C34H340.6°0.1°
C33N1C2HN1180.0°180.0°
C33N1C2O113.2°5.4°
C33N1C2C4163.1°174.6°
N1C2O1C4176.1°180.0°
N1C2C4C6151.8°180.0°
N1C2C4H4126.5°60.0°
N1C2C4H4282.9°60.0°
HN1N1C2O1166.8°174.6°
HN1N1C2C416.9°5.4°
O1C2C4C631.7°0.0°
O1C2C4H41156.9°120.0°
O1C2C4H4293.6°120.0°
C2C4C6H41125.3°120.0°
C2C4C6H42125.3°120.1°
C2C4H41H42115.2°120.1°
C2C4C6C1273.0°180.0°
C2C4C6H61161.7°60.0°
C2C4C6H6252.2°60.0°
C6C4H41H42115.2°120.0°
C4C6C12H61125.2°120.0°
C4C6C12H62125.3°120.0°
C4C6H61H62119.1°119.9°
C4C6C12N1137.5°90.0°
C4C6C12N13146.9°90.0°
H41C4C6C1252.3°60.0°
H41C4C6H6173.0°180.0°
H41C4C6H62177.5°60.0°
H42C4C6C12161.7°60.0°
H42C4C6H6136.4°60.0°
H42C4C6H6273.0°180.0°
C12C6H61H62119.1°120.1°
C6C12N11C10174.0°180.0°
C6C12N13C16170.9°179.8°
C6C12N11N13176.0°180.0°
C6C12N13C76.3°0.0°
H61C6C12N1187.8°30.0°
H61C6C12N1387.9°150.0°
H62C6C12N11162.8°150.1°
H62C6C12N1321.6°30.0°
C15C9C17H9180.0°179.9°
C9C15C10H15180.0°180.0°
C9C15C10C1612.3°0.2°
C9C15C10N11178.7°180.0°
C15C9C17C115.4°0.0°
C15C9C17H17174.6°180.0°
C17C9C15C108.2°0.0°
C17C9C15H15171.8°180.0°
C9C17C11C166.7°0.3°
C9C17C11H17180.0°180.0°
C9C17C11H11173.3°180.0°
H9C9C15C10171.8°180.0°
H9C9C15H158.2°0.0°
H9C9C17C11174.6°179.9°
H9C9C17H175.4°0.1°
C15C10C16N11171.5°179.8°
C15C10C16C1112.7°0.5°
C15C10C16N13176.7°179.8°
C15C10N11C12172.3°180.0°
H15C15C10C16167.8°179.7°
H15C15C10N111.3°0.0°
C10C16C11N13167.4°179.0°
C10C16C11C179.8°0.6°
C10C16C11H11170.2°179.7°
C16C10N11C122.1°0.3°
C10C16N13C126.3°0.4°
C10C16N13C7176.5°179.9°
N11C10C16C11175.8°179.6°
N11C10C16N135.2°0.4°
C10N11C12N132.0°0.0°
C16C11C17H11180.0°179.7°
C16C11C17H17173.3°179.7°
C11C16N13C12174.5°179.5°
C11C16N13C78.2°0.8°
N13C16C11C17177.3°179.6°
N13C16C11H112.8°0.7°
C16N13C12N115.2°0.2°
C16N13C12C7177.2°179.8°
C16N13C7H7154.7°90.3°
C16N13C7H72180.0°29.7°
C16N13C7H7354.7°149.7°
H11C11C17H176.7°0.0°
N11C12N13C7177.6°180.0°
C12N13C7H71128.7°90.0°
C12N13C7H723.4°150.0°
C12N13C7H73121.9°30.0°
N13C7H71H72136.7°120.0°
N13C7H71H73111.6°120.0°
N13C7H72H73125.3°120.0°
H71C7H72H73109.5°120.0°

224931

PDB entries from 2024-09-11

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