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FTB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O33C32doub1.21Å1.23Å
C32C34sing1.51Å1.50Å
C32N31sing1.35Å1.38Å
C34H341sing1.09Å1.11Å
C34H342sing1.09Å1.11Å
C34H343sing1.09Å1.11Å
N31C28sing1.40Å1.45Å
N31H31sing0.97Å1.02Å
C28C29doub1.39Å1.41ÅAromatic
C28C27sing1.39Å1.41ÅAromatic
C29C30sing1.38Å1.41ÅAromatic
C29H29sing1.08Å1.10Å
C30C25doub1.38Å1.41ÅAromatic
C30H30sing1.08Å1.10Å
C27C26doub1.38Å1.41ÅAromatic
C27H27sing1.08Å1.10Å
C26C25sing1.38Å1.40ÅAromatic
C26H26sing1.08Å1.10Å
C25C24sing1.51Å1.52Å
C24C1sing1.51Å1.51Å
C24H241sing1.09Å1.12Å
C24H242sing1.09Å1.12Å
C1N2doub1.31Å1.35ÅAromatic
C1N5sing1.35Å1.36ÅAromatic
N2C3sing1.33Å1.35ÅAromatic
C3N6sing1.39Å1.37ÅAromatic
C3C4doub1.39Å1.36ÅAromatic
N6C12sing1.46Å1.48Å
N6C7sing1.35Å1.38ÅAromatic
C12C13sing1.53Å1.55Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.11Å
C13C14sing1.53Å1.54Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.12Å
C14C15sing1.53Å1.53Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.11Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.12Å
C15H153sing1.09Å1.11Å
C4N5sing1.38Å1.35ÅAromatic
C4C9sing1.41Å1.39ÅAromatic
N5HN5sing0.97Å1.02Å
C9O10doub1.22Å1.23Å
C9N8sing1.35Å1.40ÅAromatic
N8C7sing1.34Å1.41ÅAromatic
N8C16sing1.46Å1.48Å
C7O11doub1.22Å1.22Å
C16C17sing1.51Å1.51Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.12Å
C17C18doub1.38Å1.41ÅAromatic
C17C22sing1.38Å1.40ÅAromatic
C18C19sing1.38Å1.41ÅAromatic
C18H18sing1.08Å1.10Å
C19C20doub1.38Å1.40ÅAromatic
C19H19sing1.08Å1.10Å
C20C21sing1.38Å1.41ÅAromatic
C20H20sing1.08Å1.10Å
C21C22doub1.39Å1.40ÅAromatic
C21H21sing1.08Å1.10Å
C22Fsing1.35Å1.35Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O33C32C34117.8°120.0°
O33C32N31122.5°120.1°
C34C32N31119.7°120.0°
C32C34H341109.2°109.5°
C32C34H342117.8°109.5°
C32C34H343109.2°109.4°
C32N31C28128.2°120.0°
C32N31H31113.0°120.0°
H341C34H342109.2°109.5°
H341C34H343100.9°109.4°
H342C34H343109.2°109.5°
C28N31H31118.8°120.0°
N31C28C29119.9°120.1°
N31C28C27121.4°120.1°
C29C28C27118.7°119.9°
C28C29C30120.4°120.0°
C28C29H29119.7°120.0°
C28C27C26120.9°119.9°
C28C27H27119.7°120.0°
C30C29H29119.8°120.0°
C29C30C25120.4°120.0°
C29C30H30119.9°120.0°
C25C30H30119.7°120.0°
C30C25C26119.4°120.2°
C30C25C24121.2°119.9°
C26C27H27119.4°120.0°
C27C26C25120.1°120.0°
C27C26H26120.1°119.9°
C25C26H26119.8°120.0°
C26C25C24119.3°119.9°
C25C24C1111.5°109.5°
C25C24H241111.4°109.5°
C25C24H242111.4°109.5°
C1C24H241111.5°109.5°
C1C24H242111.5°109.5°
C24C1N2119.7°125.1°
C24C1N5125.8°125.2°
H241C24H24298.9°109.4°
N2C1N5114.5°109.7°
C1N2C3102.4°109.8°
C1N5C4103.2°107.0°
C1N5HN5128.6°126.4°
N2C3N6123.2°133.9°
N2C3C4110.9°107.3°
N6C3C4125.9°118.9°
C3N6C12122.3°120.0°
C3N6C7115.3°120.1°
C3C4N5108.9°106.2°
C3C4C9120.2°119.2°
C12N6C7122.3°119.9°
N6C12C13110.0°109.5°
N6C12H121112.0°109.5°
N6C12H122112.0°109.5°
N6C7N8120.4°121.6°
N6C7O11119.4°119.2°
C13C12H121112.0°109.5°
C13C12H122112.0°109.5°
C12C13C14112.0°109.5°
C12C13H131111.3°109.4°
C12C13H132111.3°109.4°
H121C12H12298.4°109.4°
C14C13H131111.3°109.5°
C14C13H132111.3°109.5°
C13C14C15111.3°109.5°
C13C14H141111.6°109.4°
C13C14H142111.6°109.5°
H131C13H13299.1°109.5°
C15C14H141111.5°109.5°
C15C14H142111.5°109.5°
C14C15H151111.5°109.5°
C14C15H152111.3°109.5°
C14C15H153111.5°109.4°
H141C14H14298.8°109.5°
H151C15H152111.5°109.5°
H151C15H15398.9°109.5°
H152C15H153111.6°109.4°
N5C4C9130.9°134.6°
C4N5HN5128.2°126.6°
C4C9O10122.4°120.4°
C4C9N8115.2°119.2°
O10C9N8122.4°120.4°
C9N8C7123.0°121.0°
C9N8C16119.8°119.5°
C7N8C16114.8°119.5°
N8C7O11120.2°119.2°
N8C16C17106.9°109.5°
N8C16H161113.2°109.5°
N8C16H162113.2°109.5°
C17C16H161113.2°109.4°
C17C16H162113.2°109.4°
C16C17C18122.1°120.1°
C16C17C22118.8°120.0°
H161C16H16297.3°109.5°
C18C17C22119.1°119.9°
C17C18C19120.6°120.1°
C17C18H18120.0°120.0°
C17C22C21120.7°120.0°
C17C22F120.1°120.0°
C19C18H18119.5°119.9°
C18C19C20119.7°120.0°
C18C19H19120.2°120.0°
C20C19H19120.1°120.0°
C19C20C21120.0°120.1°
C19C20H20119.9°120.0°
C21C20H20120.1°120.0°
C20C21C22119.9°120.0°
C20C21H21120.1°120.0°
C22C21H21120.0°120.0°
C21C22F119.3°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O33C32C34N31179.9°180.0°
O33C32C34H34154.7°0.0°
O33C32C34H342180.0°120.0°
O33C32C34H34354.7°119.9°
O33C32N31C280.2°5.5°
O33C32N31H31179.8°174.6°
C32C34H341H342130.1°120.1°
C32C34H341H343115.0°119.9°
C32C34H342H343125.3°120.0°
C34C32N31C28179.7°174.5°
C34C32N31H310.3°5.4°
N31C32C34H341125.3°180.0°
N31C32C34H3420.1°60.0°
N31C32C34H343125.2°60.1°
C32N31C28H31180.0°180.0°
C32N31C28C29175.5°33.3°
C32N31C28C273.9°146.7°
H341C34H342H343109.4°119.9°
N31C28C29C27179.4°180.0°
N31C28C29C30179.9°180.0°
N31C28C29H290.1°0.1°
N31C28C27C26179.7°179.7°
N31C28C27H270.3°0.1°
H31N31C28C294.5°146.7°
H31N31C28C27176.2°33.4°
C28C29C30H29180.0°180.0°
C28C29C30C250.2°0.0°
C28C29C30H30179.8°179.9°
C29C28C27C260.3°0.2°
C29C28C27H27179.6°180.0°
C27C28C29C300.5°0.0°
C27C28C29H29179.5°180.0°
C28C27C26H27180.0°179.8°
C28C27C26C250.5°0.5°
C28C27C26H26179.5°180.0°
C29C30C25H30180.0°180.0°
C29C30C25C261.0°0.2°
C29C30C25C24179.5°180.0°
H29C29C30C25179.9°180.0°
H29C29C30H300.1°0.0°
C30C25C26C271.1°0.4°
C30C25C26C24178.5°179.8°
C30C25C26H26178.8°180.0°
C30C25C24C189.0°90.0°
C30C25C24H24136.3°30.0°
C30C25C24H242145.7°150.0°
H30C30C25C26179.0°179.8°
H30C30C25C240.5°0.0°
C27C26C25H26180.0°179.6°
C27C26C25C24179.7°179.8°
H27C27C26C25179.5°179.7°
H27C27C26H260.5°0.2°
C26C25C24C192.5°90.2°
C26C25C24H241142.2°149.8°
C26C25C24H24232.7°29.8°
H26C26C25C240.3°0.2°
C25C24C1H241125.3°120.0°
C25C24C1H242125.3°120.0°
C25C24H241H242117.3°120.0°
C25C24C1N296.4°60.0°
C25C24C1N583.3°120.1°
C1C24H241H242117.4°120.0°
C24C1N2N5179.7°180.0°
C24C1N2C3180.0°179.7°
C24C1N5C4179.8°180.0°
C24C1N5HN50.2°0.1°
H241C24C1N228.9°60.0°
H241C24C1N5151.4°119.9°
H242C24C1N2138.4°180.0°
H242C24C1N542.0°0.0°
C1N2C3N6180.0°179.5°
C1N2C3C40.1°0.5°
N2C1N5C40.5°0.1°
N2C1N5HN5179.5°179.9°
N5C1N2C30.3°0.3°
C1N5C4C30.5°0.2°
C1N5C4HN5180.0°179.9°
C1N5C4C9180.0°180.0°
N2C3N6C4179.9°179.0°
N2C3N6C120.6°0.7°
N2C3N6C7179.6°179.5°
N2C3C4N50.4°0.4°
N2C3C4C9179.9°179.8°
C3N6C12C7178.9°179.7°
C3N6C12C13106.0°90.3°
C3N6C12H121128.7°149.7°
C3N6C12H12219.3°29.7°
N6C3C4N5179.7°179.6°
N6C3C4C90.2°0.5°
C3N6C7N80.4°0.3°
C3N6C7O11179.5°179.7°
C4C3N6C12179.3°179.7°
C4C3N6C70.3°0.6°
C3C4N5C9179.5°179.8°
C3C4N5HN5179.5°179.7°
C3C4C9O10179.2°179.7°
C3C4C9N80.5°0.3°
N6C12C13H121125.2°120.0°
N6C12C13H122125.3°120.0°
N6C12H121H122117.9°120.0°
N6C12C13C14175.6°180.0°
N6C12C13H13159.1°60.0°
N6C12C13H13250.4°60.0°
C12N6C7N8179.4°180.0°
C12N6C7O111.5°0.0°
C7N6C12C1372.9°90.0°
C7N6C12H12152.3°30.1°
C7N6C12H122161.8°150.0°
N6C7N8C90.0°0.0°
N6C7N8O11179.0°180.0°
N6C7N8C16162.4°180.0°
C13C12H121H122117.9°120.0°
C12C13C14H131125.3°120.0°
C12C13C14H132125.3°120.0°
C12C13H131H132117.2°120.0°
C12C13C14C15167.8°180.0°
C12C13C14H14142.6°60.0°
C12C13C14H14267.0°60.0°
H121C12C13C1450.4°60.0°
H121C12C13H131175.6°180.0°
H121C12C13H13274.9°60.0°
H122C12C13C1459.1°60.0°
H122C12C13H13166.2°60.0°
H122C12C13H132175.6°180.0°
C14C13H131H132117.2°120.0°
C13C14C15H141125.3°120.0°
C13C14C15H142125.3°120.0°
C13C14H141H142117.5°120.0°
C13C14C15H15154.8°180.0°
C13C14C15H152180.0°60.0°
C13C14C15H15354.7°60.0°
H131C13C14C1566.9°60.1°
H131C13C14H141167.8°179.9°
H131C13C14H14258.3°60.0°
H132C13C14C1542.5°60.0°
H132C13C14H14182.7°60.0°
H132C13C14H142167.8°180.0°
C15C14H141H142117.4°120.0°
C14C15H151H152125.1°120.1°
C14C15H151H153117.4°120.0°
C14C15H152H153125.2°119.9°
H141C14C15H151180.0°60.1°
H141C14C15H15254.7°60.0°
H141C14C15H15370.5°179.9°
H142C14C15H15170.5°59.9°
H142C14C15H15254.7°180.0°
H142C14C15H153180.0°60.1°
H151C15H152H153109.5°120.0°
N5C4C9O100.2°0.1°
N5C4C9N8180.0°180.0°
C9C4N5HN50.0°0.1°
C4C9O10N8179.8°179.9°
C4C9N8C70.4°0.0°
C4C9N8C16161.0°180.0°
O10C9N8C7179.3°180.0°
O10C9N8C1619.2°0.1°
C9N8C7C16162.3°180.0°
C9N8C7O11179.1°180.0°
C9N8C16C1796.8°90.0°
C9N8C16H161138.0°30.0°
C9N8C16H16228.5°150.0°
C7N8C16C17100.3°90.1°
C7N8C16H16125.0°150.0°
C7N8C16H162134.4°29.9°
C16N8C7O1118.6°0.1°
N8C16C17H161125.2°120.0°
N8C16C17H162125.3°120.0°
N8C16H161H162119.1°120.1°
N8C16C17C1837.7°120.0°
N8C16C17C22142.2°60.3°
C17C16H161H162119.1°120.0°
C16C17C18C22179.9°179.7°
C16C17C18C19179.6°180.0°
C16C17C18H180.4°0.0°
C16C17C22C21179.8°179.7°
C16C17C22F0.7°0.3°
H161C16C17C1887.5°0.0°
H161C16C17C2292.6°179.7°
H162C16C17C18163.0°120.0°
H162C16C17C2216.9°59.7°
C17C18C19H18180.0°180.0°
C17C18C19C200.8°0.0°
C17C18C19H19179.2°180.0°
C18C17C22C210.4°0.6°
C18C17C22F179.4°180.0°
C22C17C18C190.2°0.3°
C22C17C18H18179.8°179.8°
C17C22C21C200.4°0.6°
C17C22C21F179.1°179.4°
C17C22C21H21179.6°179.7°
C18C19C20H19180.0°179.9°
C18C19C20C210.7°0.0°
C18C19C20H20179.3°180.0°
H18C18C19C20179.2°179.9°
H18C18C19H190.8°0.0°
C19C20C21H20180.0°180.0°
C19C20C21C220.1°0.3°
C19C20C21H21179.9°180.0°
H19C19C20C21179.3°180.0°
H19C19C20H200.7°0.1°
C20C21C22H21180.0°179.7°
C20C21C22F179.5°180.0°
H20C20C21C22179.9°179.7°
H20C20C21H210.1°0.0°
H21C21C22F0.5°0.3°

224931

PDB entries from 2024-09-11

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