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FTI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.52Å
C1C28sing1.50Å1.48Å
C1HC1Asing1.09Å1.12Å
C1HC12sing1.09Å1.12Å
C2N1sing1.47Å1.53Å
C2HC2Asing1.09Å1.12Å
C2HC22sing1.09Å1.11Å
N1C3sing1.47Å1.47Å
N1C12sing1.35Å1.37Å
C3C4sing1.50Å1.51Å
C3HC31sing1.09Å1.11Å
C3HC32sing1.09Å1.11Å
C4C5sing1.47Å1.46Å
C4C28doub1.34Å1.40Å
C5C6doub1.46Å1.40ÅAromatic
C5C10sing1.39Å1.46ÅAromatic
C6C7sing1.42Å1.48ÅAromatic
C6C13sing1.40Å1.45ÅAromatic
C7C8doub1.40Å1.38ÅAromatic
C7C11sing1.41Å1.42ÅAromatic
C8C9sing1.36Å1.44ÅAromatic
C8HC8sing1.08Å1.10Å
C9C10doub1.39Å1.43ÅAromatic
C9HC9sing1.08Å1.10Å
C10HC10sing1.08Å1.10Å
C11C14doub1.36Å1.41ÅAromatic
C11HC11sing1.08Å1.10Å
C12C20sing1.51Å1.60Å
C12O1doub1.21Å1.24Å
C13C15doub1.36Å1.41ÅAromatic
C13HC13sing1.08Å1.10Å
C14C15sing1.39Å1.45ÅAromatic
C14HC14sing1.08Å1.10Å
C15HC15sing1.08Å1.10Å
C16N3sing1.46Å1.47Å
C16C22sing1.51Å1.48Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.11Å
N2C17doub1.30Å1.34ÅAromatic
N2C19sing1.34Å1.48ÅAromatic
C17N3sing1.35Å1.36ÅAromatic
C17HC17sing1.08Å1.10Å
N3C18sing1.37Å1.50ÅAromatic
C18C19doub1.35Å1.36ÅAromatic
C18C20sing1.51Å1.53Å
C19HC19sing1.08Å1.10Å
C20H201sing1.09Å1.12Å
C20H202sing1.09Å1.11Å
C21C22doub1.38Å1.41ÅAromatic
C21C26sing1.38Å1.43ÅAromatic
C21HC21sing1.08Å1.10Å
C22C23sing1.38Å1.38ÅAromatic
C23C24doub1.38Å1.43ÅAromatic
C23HC23sing1.08Å1.10Å
C24C25sing1.40Å1.42ÅAromatic
C24HC24sing1.08Å1.10Å
C25C26doub1.40Å1.44ÅAromatic
C25C27sing1.43Å1.44Å
C26HC26sing1.08Å1.10Å
C27N4trip1.14Å1.16Å
C28C29sing1.43Å1.44Å
C29N5trip1.14Å1.15Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C28117.3°110.4°
C2C1HC1A109.4°109.3°
C2C1HC12109.4°109.3°
C1C2N1116.4°108.1°
C1C2HC2A109.7°109.7°
C1C2HC22109.7°109.8°
C28C1HC1A109.4°109.3°
C28C1HC12109.4°109.3°
C1C28C4121.5°124.0°
C1C28C29115.2°118.0°
HC1AC1HC12100.7°109.2°
N1C2HC2A109.7°109.7°
N1C2HC22109.7°109.8°
C2N1C3121.4°117.4°
C2N1C12123.6°121.3°
HC2AC2HC22100.5°109.7°
C3N1C12114.6°121.3°
N1C3C4113.8°109.4°
N1C3HC31110.6°109.6°
N1C3HC32110.6°109.1°
N1C12C20121.0°120.0°
N1C12O1122.1°120.0°
C4C3HC31110.6°109.5°
C4C3HC32110.6°109.5°
C3C4C5115.7°118.5°
C3C4C28122.5°123.0°
HC31C3HC3299.7°109.6°
C5C4C28121.7°118.5°
C4C5C6122.2°120.7°
C4C5C10117.6°120.8°
C4C28C29123.3°118.0°
C6C5C10120.3°118.5°
C5C6C7121.2°118.9°
C5C6C13119.7°121.5°
C5C10C9116.5°120.6°
C5C10HC10122.8°119.7°
C7C6C13119.1°119.6°
C6C7C8119.2°119.4°
C6C7C11121.5°119.2°
C6C13C15118.2°119.6°
C6C13HC13122.4°120.2°
C8C7C11119.3°121.4°
C7C8C9119.6°120.7°
C7C8HC8118.0°119.6°
C7C11C14118.1°119.6°
C7C11HC11121.3°120.2°
C9C8HC8122.4°119.7°
C8C9C10123.2°121.9°
C8C9HC9118.8°119.0°
C10C9HC9118.1°119.1°
C9C10HC10120.6°119.7°
C14C11HC11120.6°120.2°
C11C14C15121.3°121.0°
C11C14HC14117.8°119.5°
C20C12O1116.8°119.9°
C12C20C18115.6°109.5°
C12C20H201110.0°109.4°
C12C20H202110.0°109.5°
C15C13HC13119.4°120.2°
C13C15C14121.8°120.9°
C13C15HC15117.3°119.5°
C15C14HC14121.0°119.5°
C14C15HC15120.9°119.5°
N3C16C22119.4°109.5°
N3C16H161108.6°109.4°
N3C16H162108.6°109.5°
C16N3C17126.6°126.4°
C16N3C18127.2°126.4°
C22C16H161108.6°109.5°
C22C16H162108.6°109.4°
C16C22C21119.7°119.8°
C16C22C23119.8°119.9°
H161C16H162101.4°109.5°
C17N2C19105.2°109.2°
N2C17N3113.7°108.8°
N2C17HC17122.6°125.6°
N2C19C18109.3°108.0°
N2C19HC19128.8°125.9°
N3C17HC17123.7°125.6°
C17N3C18105.8°107.2°
N3C18C19105.9°106.8°
N3C18C20128.8°126.6°
C19C18C20125.2°126.6°
C18C19HC19121.9°126.0°
C18C20H201110.0°109.5°
C18C20H202110.0°109.5°
H201C20H202100.2°109.5°
C22C21C26120.8°120.1°
C22C21HC21118.5°120.0°
C21C22C23120.4°120.3°
C26C21HC21120.6°119.9°
C21C26C25118.5°119.9°
C21C26HC26120.7°120.0°
C22C23C24120.7°120.2°
C22C23HC23118.0°119.9°
C24C23HC23121.3°119.9°
C23C24C25119.9°119.8°
C23C24HC24120.4°120.1°
C25C24HC24119.8°120.1°
C24C25C26119.6°119.7°
C24C25C27120.0°120.1°
C26C25C27120.3°120.2°
C25C26HC26120.8°120.1°
C25C27N4176.8°179.9°
C28C29N5171.9°179.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C28HC1A125.3°120.3°
C2C1C28HC12125.3°120.3°
C2C1HC1AHC12115.2°119.5°
C1C2N1HC2A125.2°119.6°
C1C2N1HC22125.3°119.7°
C1C2HC2AHC22115.5°120.7°
C1C2N1C37.4°62.6°
C1C2N1C12179.3°117.0°
C2C1C28C419.3°19.3°
C2C1C28C29158.7°160.7°
C28C1HC1AHC12115.1°119.5°
C28C1C2N115.5°46.0°
C28C1C2HC2A109.8°73.6°
C28C1C2HC22140.7°165.7°
C1C28C4C30.5°1.1°
C1C28C4C5175.7°178.7°
C1C28C4C29177.7°180.0°
C1C28C29N5122.0°150.8°
HC1AC1C2N1109.8°166.3°
HC1AC1C2HC2A125.0°46.7°
HC1AC1C2HC2215.5°74.0°
HC1AC1C28C4106.0°139.6°
HC1AC1C28C2976.1°40.4°
HC12C1C2N1140.7°74.2°
HC12C1C2HC2A15.5°166.1°
HC12C1C2HC2294.0°45.5°
HC12C1C28C4144.5°101.0°
HC12C1C28C2933.4°79.0°
N1C2HC2AHC22115.5°120.7°
C2N1C3C12172.5°179.6°
C2N1C3C425.7°43.4°
C2N1C3HC31150.9°163.5°
C2N1C3HC3299.6°76.5°
C2N1C12C2035.7°0.2°
C2N1C12O1142.5°179.9°
HC2AC2N1C3132.6°57.0°
HC2AC2N1C1255.5°123.3°
HC22C2N1C3117.9°177.7°
HC22C2N1C1254.0°2.7°
N1C3C4HC31125.3°120.2°
N1C3C4HC32125.2°119.6°
N1C3HC31HC32116.5°119.8°
N1C3C4C5153.6°168.6°
N1C3C4C2822.9°11.1°
C3N1C12C20152.0°179.4°
C3N1C12O129.9°0.3°
C12N1C3C4161.8°136.3°
C12N1C3HC3136.5°16.1°
C12N1C3HC3273.0°103.9°
N1C12C20O1178.3°179.7°
N1C12C20C1863.2°179.7°
N1C12C20H20162.0°59.7°
N1C12C20H202171.5°60.2°
C4C3HC31HC32116.5°120.2°
C3C4C5C28176.5°179.8°
C3C4C5C677.1°89.9°
C3C4C5C10102.1°89.8°
C3C4C28C29178.3°178.9°
HC31C3C4C528.3°48.4°
HC31C3C4C28148.1°131.3°
HC32C3C4C581.2°71.8°
HC32C3C4C28102.4°108.4°
C4C5C6C10179.2°179.7°
C4C5C6C7179.8°179.8°
C4C5C6C131.0°0.6°
C4C5C10C9180.0°180.0°
C4C5C10HC100.0°0.1°
C5C4C28C292.0°1.3°
C28C4C5C699.4°90.3°
C28C4C5C1081.4°90.0°
C4C28C29N560.1°29.2°
C5C6C7C13179.2°179.2°
C5C6C7C80.1°0.5°
C5C6C7C11178.8°179.7°
C6C5C10C90.8°0.3°
C6C5C10HC10179.2°179.8°
C5C6C13C15179.8°179.7°
C5C6C13HC130.2°0.5°
C10C5C6C71.0°0.5°
C10C5C6C13178.2°179.7°
C5C10C9C80.4°0.0°
C5C10C9HC10180.0°179.9°
C5C10C9HC9179.6°180.0°
C6C7C8C11178.8°179.8°
C6C7C8C91.3°0.2°
C6C7C8HC8178.8°179.7°
C6C7C11C142.4°0.2°
C6C7C11HC11177.6°179.8°
C7C6C13C151.0°0.5°
C7C6C13HC13179.0°179.7°
C13C6C7C8179.2°179.7°
C13C6C7C112.0°0.5°
C6C13C15HC13180.0°179.8°
C6C13C15C140.5°0.3°
C6C13C15HC15179.5°179.7°
C7C8C9HC8180.0°180.0°
C7C8C9C101.5°0.0°
C7C8C9HC9178.5°180.0°
C8C7C11C14178.9°179.9°
C8C7C11HC111.1°0.0°
C11C7C8C9180.0°180.0°
C11C7C8HC80.0°0.1°
C7C11C14HC11180.0°179.9°
C7C11C14C151.8°0.0°
C7C11C14HC14178.2°180.0°
C8C9C10HC9180.0°180.0°
C8C9C10HC10179.6°180.0°
HC8C8C9C10178.6°180.0°
HC8C8C9HC91.5°0.0°
HC9C9C10HC100.4°0.1°
C11C14C15C130.9°0.0°
C11C14C15HC14180.0°180.0°
C11C14C15HC15179.1°180.0°
HC11C11C14C15178.2°179.9°
HC11C11C14HC141.8°0.1°
C12C20C18N368.6°90.3°
C12C20C18C19113.6°90.0°
C12C20C18H201125.3°120.0°
C12C20C18H202125.3°120.0°
C12C20H201H202115.8°119.9°
O1C12C20C18118.5°0.0°
O1C12C20H201116.3°120.0°
O1C12C20H2026.8°120.0°
C13C15C14HC15180.0°180.0°
C13C15C14HC14179.1°180.0°
HC13C13C15C14179.5°179.9°
HC13C13C15HC150.5°0.1°
HC14C14C15HC150.9°0.0°
N3C16C22H161125.2°119.9°
N3C16C22H162125.3°120.1°
N3C16H161H162114.3°120.0°
C16N3C17N2172.9°180.0°
C16N3C17C18173.4°179.7°
C16N3C17HC177.1°0.1°
C16N3C18C19173.0°180.0°
C16N3C18C205.2°0.2°
N3C16C22C21102.0°90.0°
N3C16C22C2380.8°90.3°
C22C16H161H162114.3°120.0°
C22C16N3C1789.6°89.9°
C22C16N3C1898.4°90.4°
C16C22C21C23177.1°179.7°
C16C22C21C26177.1°180.0°
C16C22C21HC212.9°0.0°
C16C22C23C24176.3°179.7°
C16C22C23HC233.7°0.3°
H161C16N3C1735.6°150.1°
H161C16N3C18136.4°29.6°
H161C16C22C21132.7°30.0°
H161C16C22C2344.4°149.7°
H162C16N3C17145.1°30.1°
H162C16N3C1826.9°149.6°
H162C16C22C2123.3°150.0°
H162C16C22C23153.9°29.7°
N2C17N3HC17180.0°179.9°
N2C17N3C180.5°0.3°
C17N2C19C180.2°0.0°
C17N2C19HC19179.8°179.9°
C19N2C17N30.4°0.2°
C19N2C17HC17179.6°179.9°
N2C19C18N30.1°0.2°
N2C19C18HC19180.0°180.0°
N2C19C18C20178.4°180.0°
C17N3C18C190.3°0.3°
C17N3C18C20178.5°179.9°
HC17C17N3C18179.5°179.8°
N3C18C19C20178.3°179.7°
N3C18C19HC19179.9°179.8°
N3C18C20H201166.2°149.7°
N3C18C20H20256.7°29.7°
C19C18C20H20111.7°30.0°
C19C18C20H202121.2°150.0°
C20C18C19HC191.6°0.0°
C18C20H201H202115.8°120.0°
C22C21C26HC21180.0°180.0°
C21C22C23C240.8°0.6°
C21C22C23HC23179.1°180.0°
C22C21C26C250.0°0.1°
C22C21C26HC26180.0°179.9°
C26C21C22C230.0°0.3°
C21C26C25C240.8°0.1°
C21C26C25HC26180.0°179.9°
C21C26C25C27178.2°180.0°
HC21C21C22C23180.0°179.7°
HC21C21C26C25180.0°179.9°
HC21C21C26HC260.0°0.0°
C22C23C24HC23180.0°179.4°
C22C23C24C251.6°0.5°
C22C23C24HC24178.4°179.7°
C23C24C25HC24180.0°179.7°
C23C24C25C261.6°0.2°
C23C24C25C27177.4°179.7°
HC23C23C24C25178.4°180.0°
HC23C23C24HC241.6°0.3°
C24C25C26C27179.0°179.9°
C24C25C26HC26179.2°180.0°
C24C25C27N4112.1°66.7°
HC24C24C25C26178.4°179.9°
HC24C24C25C272.6°0.0°
C26C25C27N466.9°113.4°
C27C25C26HC261.8°0.1°

223532

PDB entries from 2024-08-07

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