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B5X

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N10N9doub1.29Å1.26ÅAromatic
N10C5sing1.33Å1.40ÅAromatic
O4C3doub1.21Å1.19Å
N9N8sing1.40Å1.40ÅAromatic
C5C3sing1.47Å1.46Å
C5C6doub1.39Å1.40ÅAromatic
C3C2sing1.52Å1.52Å
N8C6sing1.34Å1.37ÅAromatic
N8C11sing1.40Å1.42Å
C25N24sing1.46Å1.46Å
C16C11doub1.39Å1.39ÅAromatic
C16C15sing1.38Å1.39ÅAromatic
C6C7sing1.50Å1.46Å
F17C15sing1.35Å1.34Å
C11C12sing1.39Å1.40ÅAromatic
C2C1sing1.53Å1.54Å
C15C14doub1.40Å1.40ÅAromatic
N24C26sing1.46Å1.47Å
N24C20sing1.40Å1.43Å
C12C13doub1.38Å1.42ÅAromatic
C19C20doub1.39Å1.40ÅAromatic
C19C18sing1.39Å1.40ÅAromatic
C7C1sing1.53Å1.56Å
C1C28sing1.53Å1.57Å
C14C13sing1.40Å1.41ÅAromatic
C14C18sing1.48Å1.48Å
C20C21sing1.39Å1.41ÅAromatic
C13F27sing1.35Å1.33Å
C18C23doub1.39Å1.39ÅAromatic
C28C29sing1.53Å1.53Å
C28C30sing1.53Å1.52Å
C21C22doub1.38Å1.40ÅAromatic
C23C22sing1.38Å1.39ÅAromatic
C21H211sing1.08Å1.08Å
C22H221sing1.08Å1.08Å
C26H262sing1.09Å1.10Å
C26H261sing1.09Å1.10Å
C26H263sing1.09Å1.10Å
C28H281sing1.09Å1.10Å
C1H011sing1.09Å1.10Å
C2H021sing1.09Å1.10Å
C2H022sing1.09Å1.10Å
C7H071sing1.09Å1.10Å
C7H072sing1.09Å1.10Å
C12H121sing1.08Å1.08Å
C16H161sing1.08Å1.08Å
C19H191sing1.08Å1.08Å
C23H231sing1.08Å1.08Å
C25H251sing1.09Å1.10Å
C25H253sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C29H291sing1.09Å1.10Å
C29H293sing1.09Å1.10Å
C29H292sing1.09Å1.10Å
C30H302sing1.09Å1.10Å
C30H303sing1.09Å1.10Å
C30H301sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N9N10C5109.3°109.3°
N10N9N8109.8°108.8°
N10C5C3128.0°130.4°
N10C5C6107.5°108.5°
O4C3C5125.0°122.4°
O4C3C2120.2°122.3°
N9N8C6108.3°106.8°
N9N8C11120.5°126.6°
C3C5C6124.5°121.1°
C5C3C2114.8°115.2°
C5C6N8105.0°106.6°
C5C6C7122.4°123.5°
C3C2C1116.0°108.5°
C3C2H021107.8°109.6°
C3C2H022107.8°109.8°
C6N8C11131.2°126.6°
N8C6C7132.6°129.9°
N8C11C16118.1°119.9°
N8C11C12122.7°119.9°
C25N24C26114.4°120.0°
C25N24C20122.6°119.9°
N24C25H251109.5°109.5°
N24C25H253109.4°109.5°
N24C25H252109.5°109.5°
C11C16C15120.0°120.1°
C16C11C12119.2°120.2°
C11C16H161120.0°119.9°
C16C15F17116.5°120.0°
C16C15C14124.8°119.9°
C15C16H161120.0°120.0°
C6C7C1113.0°109.3°
C6C7H071108.6°109.5°
C6C7H072108.6°109.5°
F17C15C14118.7°120.0°
C11C12C13118.6°120.1°
C11C12H121120.7°120.0°
C2C1C7111.6°110.5°
C2C1C28112.3°109.2°
C2C1H011106.9°109.3°
C1C2H021107.8°109.7°
C1C2H022107.8°109.6°
C15C14C13113.2°119.8°
C15C14C18121.1°120.1°
C26N24C20122.9°120.0°
N24C26H262109.5°109.5°
N24C26H261109.5°109.5°
N24C26H263109.5°109.5°
N24C20C19121.2°120.1°
N24C20C21121.8°120.0°
C12C13C14124.3°119.9°
C12C13F27118.2°120.0°
C13C12H121120.7°119.9°
C20C19C18122.6°119.8°
C19C20C21117.0°119.9°
C20C19H191118.7°120.0°
C19C18C14120.0°120.1°
C19C18C23119.6°119.8°
C18C19H191118.7°120.1°
C7C1C28112.5°109.3°
C7C1H011106.7°109.3°
C1C7H071108.6°109.6°
C1C7H072108.6°109.5°
C1C28C29110.6°109.5°
C1C28C30114.4°109.4°
C1C28H281107.3°109.5°
C28C1H011106.6°109.2°
C13C14C18125.7°120.1°
C14C13F27117.6°120.1°
C14C18C23120.5°120.0°
C20C21C22120.3°120.2°
C20C21H211119.9°119.9°
C18C23C22118.9°120.0°
C18C23H231120.5°120.0°
C29C28C30108.7°109.5°
C29C28H281107.8°109.5°
C28C29H291109.5°109.5°
C28C29H293109.5°109.5°
C28C29H292109.5°109.4°
C30C28H281107.9°109.4°
C28C30H302109.5°109.5°
C28C30H303109.5°109.5°
C28C30H301109.5°109.4°
C21C22C23121.7°120.2°
C22C21H211119.9°119.9°
C21C22H221119.1°120.0°
C23C22H221119.1°119.8°
C22C23H231120.6°120.0°
H262C26H261109.5°109.5°
H262C26H263109.5°109.5°
H261C26H263109.4°109.5°
H021C2H022109.4°109.6°
H071C7H072109.5°109.6°
H251C25H253109.5°109.5°
H251C25H252109.5°109.4°
H253C25H252109.5°109.4°
H291C29H293109.4°109.5°
H291C29H292109.5°109.5°
H293C29H292109.4°109.5°
H302C30H303109.5°109.5°
H302C30H301109.4°109.5°
H303C30H301109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N9N10C5C3179.9°179.9°
N9N10C5C60.4°0.1°
N10N9N8C60.1°0.0°
N10N9N8C11179.7°180.0°
N10C5C3O42.2°11.6°
C5N10N9N80.2°0.1°
N10C5C3C6179.4°180.0°
N10C5C3C2177.9°168.3°
N10C5C6N80.4°0.2°
N10C5C6C7179.4°179.8°
O4C3C5C2180.0°179.9°
O4C3C5C6178.4°168.4°
O4C3C2C1153.2°137.1°
O4C3C2H02185.8°17.4°
O4C3C2H02232.2°103.1°
N9N8C6C50.3°0.1°
N9N8C6C11179.7°180.0°
N9N8C11C1648.8°144.9°
N9N8C6C7179.2°179.8°
N9N8C11C12129.0°35.0°
C3C5C6N8179.9°179.8°
C3C5C6C71.1°0.2°
C5C3C2C126.8°43.0°
C5C3C2H02194.2°162.7°
C5C3C2H022147.7°76.8°
C6C5C3C21.5°11.7°
C5C6N8C7178.9°180.0°
C5C6N8C11179.4°179.9°
C5C6C7C120.8°20.3°
C5C6C7H071141.3°99.7°
C5C6C7H07299.7°140.2°
C3C2C1H021120.9°119.7°
C3C2C1H022121.0°119.9°
C3C2C1C747.7°64.8°
C3C2C1C28175.0°175.0°
C3C2C1H01168.5°55.5°
C3C2H021H022117.0°120.6°
C6N8C11C16130.9°35.1°
C6N8C11C1251.3°145.0°
N8C6C7C1157.9°159.7°
N8C6C7H07137.4°80.3°
N8C6C7H07281.6°39.8°
N8C11C16C12177.9°179.9°
N8C11C16C15178.4°179.8°
C11N8C6C70.6°0.2°
N8C11C12C13178.4°180.0°
N8C11C12H1211.6°0.1°
N8C11C16H1611.6°0.1°
C25N24C26C20178.5°180.0°
C25N24C20C1914.7°0.2°
C25N24C20C21166.6°180.0°
C25N24C26H262180.0°90.0°
C25N24C26H26160.0°30.0°
C25N24C26H26360.0°150.0°
N24C25H251H253120.0°120.1°
N24C25H251H252120.0°120.0°
N24C25H253H252120.0°120.0°
C11C16C15H161180.0°179.7°
C11C16C15F17179.5°179.7°
C11C16C15C140.2°0.3°
C16C11C12C130.6°0.1°
C16C11C12H121179.3°180.0°
C16C15F17C14179.4°180.0°
C15C16C11C120.5°0.3°
C16C15C14C130.8°0.0°
C16C15C14C18179.2°180.0°
C6C7C1C243.5°52.3°
C6C7C1H071120.5°119.9°
C6C7C1H072120.5°119.9°
C6C7C1C28170.7°172.6°
C6C7C1H01172.8°67.9°
C6C7H071H072118.4°120.1°
F17C15C14C13179.9°180.0°
F17C15C14C181.5°0.0°
F17C15C16H1610.4°0.0°
C11C12C13H121180.0°179.9°
C11C12C13C140.0°0.2°
C11C12C13F27180.0°180.0°
C12C11C16H161179.5°180.0°
C2C1C7C28127.2°120.2°
C2C1C7H011116.3°120.3°
C2C1C28H011116.7°119.5°
C2C1C28C2968.7°59.5°
C2C1C28C3054.5°179.5°
C2C1C28H281174.0°60.5°
C1C2H021H022117.0°120.4°
C2C1C7H071164.1°67.6°
C2C1C7H07277.0°172.3°
C15C14C13C120.6°0.3°
C15C14C18C1955.8°114.9°
C15C14C13C18178.3°180.0°
C15C14C13F27179.4°179.9°
C15C14C18C23123.9°65.0°
C14C15C16H161179.8°179.9°
C26N24C20C19163.6°179.8°
C26N24C20C2115.1°0.0°
N24C26H262H261120.0°120.0°
N24C26H262H263120.0°120.0°
N24C26H261H263120.0°120.0°
C26N24C25H251180.0°90.0°
C26N24C25H25360.0°150.0°
C26N24C25H25260.0°30.0°
N24C20C19C21178.8°179.8°
N24C20C19C18179.6°179.8°
N24C20C21C22179.3°179.7°
N24C20C21H2110.7°0.2°
C20N24C26H2621.5°90.0°
C20N24C26H261118.5°150.0°
C20N24C26H263121.5°30.0°
N24C20C19H1910.4°0.2°
C20N24C25H2511.5°90.0°
C20N24C25H253121.5°30.0°
C20N24C25H252118.5°150.0°
C12C13C14F27180.0°179.8°
C12C13C14C18178.9°179.8°
C20C19C18H191180.0°180.0°
C20C19C18C14180.0°180.0°
C20C19C18C230.3°0.0°
C19C20C21C220.6°0.1°
C19C20C21H211179.4°180.0°
C19C18C14C13122.4°65.0°
C19C18C14C23179.7°180.0°
C18C19C20C210.8°0.0°
C19C18C23C220.5°0.0°
C19C18C23H231179.6°180.0°
C7C1C28H011116.5°119.5°
C7C1C28C29164.5°179.5°
C7C1C28C3072.3°59.5°
C7C1C28H28147.2°60.5°
C7C1C2H02173.2°175.5°
C7C1C2H022168.7°55.1°
C1C7H071H072118.4°120.1°
C1C28C29C30126.4°120.0°
C1C28C29H281117.0°120.1°
C1C28C30H281119.2°120.0°
C28C1C2H02154.0°55.3°
C28C1C2H02264.0°65.1°
C28C1C7H07168.8°52.7°
C28C1C7H07250.2°67.5°
C1C28C29H291180.0°60.1°
C1C28C29H29360.0°60.0°
C1C28C29H29260.0°180.0°
C1C28C30H302180.0°60.0°
C1C28C30H30360.0°60.0°
C1C28C30H30160.0°180.0°
C13C14C18C2357.9°115.0°
C14C13C12H121179.9°179.7°
C18C14C13F271.1°0.0°
C14C18C23C22179.2°180.0°
C14C18C19H1910.1°0.0°
C14C18C23H2310.7°0.1°
C20C21C22H211180.0°179.9°
C20C21C22C230.2°0.1°
C20C21C22H221179.8°180.0°
C21C20C19H191179.1°180.0°
F27C13C12H1210.1°0.1°
C18C23C22C210.7°0.0°
C18C23C22H231180.0°180.0°
C18C23C22H221179.3°179.9°
C23C18C19H191179.6°179.9°
C29C28C30H281116.6°120.0°
C29C28C1H01148.0°60.0°
C28C29H291H293120.0°120.0°
C28C29H291H292120.0°120.0°
C28C29H293H292120.0°120.0°
C29C28C30H30255.8°60.0°
C29C28C30H303175.9°180.0°
C29C28C30H30164.1°60.0°
C30C28C1H011171.1°60.0°
C30C28C29H29153.6°180.0°
C30C28C29H29366.4°60.0°
C30C28C29H292173.6°60.0°
C28C30H302H303120.0°120.0°
C28C30H302H301120.0°119.9°
C28C30H303H301120.0°120.0°
C21C22C23H221180.0°179.9°
C21C22C23H231179.3°179.9°
C23C22C21H211179.8°180.0°
H211C21C22H2210.2°0.1°
H221C22C23H2310.7°0.1°
H262C26H261H263120.0°120.0°
H281C28C1H01169.3°180.0°
H281C28C29H29163.1°60.0°
H281C28C29H293177.0°180.0°
H281C28C29H29257.0°60.0°
H281C28C30H30260.8°180.0°
H281C28C30H30359.3°60.0°
H281C28C30H301179.3°60.0°
H011C1C2H021170.5°64.2°
H011C1C2H02252.5°175.4°
H011C1C7H07147.7°172.2°
H011C1C7H072166.7°52.0°
H251C25H253H252120.0°119.9°
H291C29H293H292120.0°120.0°
H302C30H303H301120.0°120.0°

222415

PDB entries from 2024-07-10

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