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QFD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O16C15doub1.21Å1.19Å
C04N03sing1.46Å1.46Å
C04C15sing1.50Å1.53Å
C04C05sing1.53Å1.54Å
N03C02sing1.34Å1.45Å
C15N17sing1.34Å1.45Å
C02O01doub1.21Å1.19Å
C02C18sing1.50Å1.53Å
N17C18sing1.46Å1.46Å
C05C06sing1.51Å1.53Å
C18C19sing1.53Å1.55Å
C06C07doub1.38Å1.38ÅAromatic
C06C14sing1.38Å1.39ÅAromatic
C19C20sing1.51Å1.53Å
C07C08sing1.38Å1.38ÅAromatic
C26C20doub1.38Å1.39ÅAromatic
C26C25sing1.38Å1.39ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C25C23doub1.39Å1.39ÅAromatic
C21C22doub1.38Å1.39ÅAromatic
C14C13doub1.38Å1.39ÅAromatic
C23C22sing1.39Å1.39ÅAromatic
C23O24sing1.36Å1.40Å
C08C09doub1.39Å1.39ÅAromatic
C13C09sing1.39Å1.39ÅAromatic
C09O10sing1.36Å1.40Å
O10C11sing1.43Å1.40Å
C11O12sing1.43Å1.40Å
C13H1sing1.08Å1.08Å
C21H2sing1.08Å1.08Å
C22H3sing1.08Å1.08Å
C26H4sing1.08Å1.08Å
C04H5sing1.09Å1.10Å
C05H6sing1.09Å1.10Å
C05H7sing1.09Å1.10Å
C07H8sing1.08Å1.08Å
C08H9sing1.08Å1.08Å
C11H10sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C14H12sing1.08Å1.08Å
C18H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C19H15sing1.09Å1.10Å
C25H16sing1.08Å1.08Å
N03H17sing0.97Å1.00Å
N17H18sing0.97Å1.00Å
O12H19sing0.97Å0.95Å
O24H20sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O16C15C04120.4°118.7°
O16C15N17120.2°118.6°
N03C04C15119.3°111.3°
N03C04C05110.9°109.1°
C04N03C02119.7°122.8°
N03C04H5106.1°109.1°
C04N03H17120.2°118.6°
C15C04C05108.8°109.1°
C04C15N17119.4°122.7°
C15C04H5105.3°109.1°
C04C05C06112.5°109.5°
C05C04H5105.3°109.0°
C04C05H6108.7°109.5°
C04C05H7108.7°109.5°
N03C02O01120.3°118.6°
N03C02C18119.6°122.7°
C02N03H17120.2°118.6°
C15N17C18120.3°122.8°
C15N17H18119.9°118.5°
O01C02C18120.0°118.6°
C02C18N17119.1°111.3°
C02C18C19110.8°109.1°
C02C18H13106.3°109.2°
N17C18C19106.7°109.1°
N17C18H13107.1°109.1°
C18N17H18119.8°118.6°
C05C06C07119.1°119.9°
C05C06C14121.2°119.9°
C06C05H6108.7°109.4°
C06C05H7108.7°109.5°
C18C19C20105.3°109.5°
C19C18H13106.1°109.1°
C18C19H14110.5°109.5°
C18C19H15110.5°109.5°
C07C06C14119.7°120.1°
C06C07C08120.1°120.1°
C06C07H8120.0°120.0°
C06C14C13120.2°120.1°
C06C14H12119.9°120.0°
C19C20C26119.5°119.9°
C19C20C21120.9°119.9°
C20C19H14110.5°109.4°
C20C19H15110.5°109.5°
C07C08C09120.6°119.9°
C08C07H8119.9°119.9°
C07C08H9119.7°120.0°
C20C26C25120.4°120.0°
C26C20C21119.6°120.1°
C20C26H4119.8°120.0°
C26C25C23119.8°119.9°
C25C26H4119.8°120.0°
C26C25H16120.1°120.1°
C20C21C22120.1°120.0°
C20C21H2119.9°120.0°
C25C23C22120.0°119.9°
C25C23O24119.9°120.1°
C23C25H16120.1°120.0°
C21C22C23120.0°120.0°
C22C21H2119.9°120.0°
C21C22H3120.0°120.0°
C14C13C09119.8°119.9°
C14C13H1120.1°120.1°
C13C14H12119.9°119.9°
C22C23O24120.1°120.1°
C23C22H3120.0°120.0°
C23O24H20109.5°114.0°
C08C09C13119.6°119.9°
C08C09O10119.0°120.0°
C09C08H9119.7°120.1°
C13C09O10121.4°120.1°
C09C13H1120.1°120.0°
C09O10C11113.1°117.0°
O10C11O12113.6°109.5°
O10C11H10108.4°109.4°
O10C11H11108.4°109.4°
O12C11H10108.4°109.5°
O12C11H11108.5°109.5°
C11O12H19109.5°114.0°
H6C05H7109.5°109.5°
H10C11H11109.4°109.5°
H14C19H15109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O16C15C04N03167.3°160.0°
O16C15C04N17179.5°179.7°
O16C15C04C0564.2°79.5°
O16C15N17C18179.1°179.8°
O16C15C04H548.3°39.5°
O16C15N17H180.9°0.2°
N03C04C15C05128.5°120.5°
N03C04C15H5119.0°120.5°
N03C04C05H5114.4°119.0°
C04N03C02H17180.0°179.9°
N03C04C15N1713.2°19.7°
C04N03C02O01179.6°180.0°
C04N03C02C181.0°0.1°
N03C04C05C0656.4°65.0°
N03C04C05H6176.9°55.0°
N03C04C05H764.0°175.0°
C15C04C05H5112.5°119.1°
C15C04N03C0213.6°19.5°
C04C15N17C180.5°0.1°
C15C04C05C0676.7°173.2°
C15C04C05H643.8°66.8°
C15C04C05H7162.9°53.2°
C15C04N03H17166.4°160.6°
C04C15N17H18179.6°179.9°
C05C04N03C02114.0°101.0°
C05C04C15N17115.4°100.8°
C04C05C06H6120.5°120.0°
C04C05C06H7120.5°120.0°
C04C05C06C0783.5°90.0°
C04C05C06C1497.4°90.0°
C04C05H6H7118.6°120.0°
C05C04N03H1766.0°78.9°
N03C02O01C18178.6°180.0°
N03C02C18N1712.6°19.7°
N03C02C18C19111.6°100.8°
C02N03C04H5132.1°140.0°
N03C02C18H13133.5°140.1°
C15N17C18C0213.0°19.4°
C15N17C18H18180.0°179.9°
C15N17C18C19113.1°101.0°
N17C15C04H5132.1°140.2°
C15N17C18H13133.6°140.0°
O01C02C18N17166.0°160.3°
O01C02C18C1969.8°79.3°
O01C02C18H1345.1°39.8°
O01C02N03H170.4°0.0°
C02C18N17C19126.2°120.5°
C02C18N17H13120.5°120.5°
C02C18C19H13115.0°119.1°
C02C18C19C20166.1°175.0°
C02C18C19H1474.5°55.0°
C02C18C19H1546.8°65.0°
C18C02N03H17179.0°180.0°
C02C18N17H18167.0°160.5°
N17C18C19H13114.0°119.0°
N17C18C19C2062.9°63.2°
N17C18C19H1456.5°176.9°
N17C18C19H15177.8°56.8°
C05C06C07C14179.1°180.0°
C05C06C07C08179.8°179.8°
C05C06C14C13179.8°180.0°
C06C05C04H5170.8°54.1°
C06C05H6H7118.6°120.0°
C05C06C07H80.2°0.0°
C05C06C14H120.2°0.0°
C18C19C20H14119.3°120.0°
C18C19C20H15119.3°120.0°
C18C19C20C2687.4°90.2°
C18C19C20C2191.7°90.0°
C18C19H14H15121.9°120.0°
C19C18N17H1866.8°79.0°
C06C07C08H8180.0°179.7°
C07C06C14C130.7°0.1°
C06C07C08C090.3°0.5°
C07C06C05H6156.0°30.1°
C07C06C05H736.9°150.0°
C06C07C08H9179.6°180.0°
C07C06C14H12179.3°180.0°
C14C06C07C080.7°0.3°
C06C14C13H12180.0°180.0°
C06C14C13C090.3°0.1°
C06C14C13H1179.7°179.7°
C14C06C05H623.1°150.0°
C14C06C05H7142.2°30.0°
C14C06C07H8179.3°180.0°
C19C20C26C21179.2°179.7°
C19C20C26C25179.2°179.7°
C19C20C21C22179.3°179.8°
C19C20C21H20.7°0.2°
C19C20C26H40.8°0.3°
C20C19C18H1351.2°55.8°
C20C19H14H15122.0°120.0°
C07C08C09H9180.0°179.5°
C07C08C09C130.0°0.5°
C07C08C09O10179.9°179.5°
C20C26C25H4180.0°180.0°
C20C26C25C230.0°0.0°
C26C20C21C220.1°0.0°
C26C20C21H2179.9°180.0°
C26C20C19H14153.2°29.7°
C26C20C19H1531.9°149.7°
C20C26C25H16180.0°179.9°
C25C26C20C210.0°0.0°
C26C25C23H16180.0°180.0°
C26C25C23C220.1°0.1°
C26C25C23O24179.9°179.9°
C20C21C22H2180.0°180.0°
C20C21C22C230.2°0.0°
C20C21C22H3179.8°179.9°
C21C20C26H4180.0°180.0°
C21C20C19H1427.6°150.0°
C21C20C19H15148.9°30.0°
C25C23C22C210.2°0.0°
C25C23C22O24180.0°180.0°
C25C23C22H3179.8°180.0°
C23C25C26H4180.0°180.0°
C25C23O24H20180.0°90.0°
C21C22C23H3180.0°180.0°
C21C22C23O24179.8°180.0°
C14C13C09C080.1°0.3°
C14C13C09H1180.0°179.7°
C14C13C09O10179.9°179.7°
C23C22C21H2179.8°180.0°
C22C23C25H16179.9°179.9°
C22C23O24H200.1°90.0°
O24C23C22H30.2°0.0°
O24C23C25H160.1°0.1°
C08C09C13O10179.9°180.0°
C08C09O10C1128.8°0.0°
C08C09C13H1179.9°180.0°
C09C08C07H8179.7°179.8°
C13C09O10C11151.0°180.0°
C13C09C08H9180.0°180.0°
C09C13C14H12179.7°180.0°
C09O10C11O12137.4°74.9°
O10C09C13H10.0°0.0°
O10C09C08H90.1°0.0°
C09O10C11H10102.0°165.0°
C09O10C11H1116.7°45.0°
O10C11O12H10120.6°120.0°
O10C11O12H11120.6°120.0°
O10C11H10H11118.1°120.0°
O10C11O12H19180.0°180.0°
O12C11H10H11118.1°120.0°
H1C13C14H120.3°0.3°
H2C21C22H30.2°0.1°
H4C26C25H160.0°0.0°
H5C04C05H668.7°174.1°
H5C04C05H750.4°65.9°
H5C04N03H1747.9°40.1°
H8C07C08H90.4°0.2°
H10C11O12H1959.4°60.0°
H11C11O12H1959.3°60.1°
H13C18C19H14170.5°64.1°
H13C18C19H1568.2°175.9°
H13C18N17H1846.5°40.0°

222624

PDB entries from 2024-07-17

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