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KN4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C22C23sing1.55Å1.52Å
C22N21sing1.49Å1.47Å
C26N21sing1.47Å1.47Å
C23C24sing1.55Å1.53Å
N21C25sing1.48Å1.47Å
C24C25sing1.54Å1.53Å
C25C18sing1.53Å1.52Å
C18C17sing1.53Å1.51Å
C17C15sing1.51Å1.51Å
C15C16doub1.38Å1.40ÅAromatic
C15C14sing1.38Å1.39ÅAromatic
C16C11sing1.38Å1.39ÅAromatic
C08C06sing1.51Å1.50Å
C08C09sing1.53Å1.54Å
N01C06doub1.32Å1.35ÅAromatic
N01C02sing1.32Å1.34ÅAromatic
N02C02sing1.39Å1.36Å
C14C13doub1.38Å1.39ÅAromatic
C06C05sing1.38Å1.39ÅAromatic
C02C03doub1.39Å1.39ÅAromatic
C11C09sing1.51Å1.51Å
C11C12doub1.38Å1.39ÅAromatic
C13C12sing1.39Å1.39ÅAromatic
C13F13sing1.35Å1.35Å
C12F12sing1.35Å1.35Å
C05C04doub1.39Å1.39ÅAromatic
C03C04sing1.38Å1.39ÅAromatic
C04C07sing1.51Å1.51Å
C14H1sing1.08Å1.08Å
C23H2sing1.09Å1.10Å
C23H3sing1.09Å1.10Å
C17H4sing1.09Å1.10Å
C17H5sing1.09Å1.10Å
C18H6sing1.09Å1.10Å
C18H7sing1.09Å1.10Å
C03H8sing1.08Å1.08Å
C05H9sing1.08Å1.08Å
C07H10sing1.09Å1.10Å
C07H11sing1.09Å1.10Å
C07H12sing1.09Å1.10Å
C08H13sing1.09Å1.10Å
C08H14sing1.09Å1.10Å
C09H15sing1.09Å1.10Å
C09H16sing1.09Å1.10Å
C16H17sing1.08Å1.08Å
C22H18sing1.09Å1.10Å
C22H19sing1.09Å1.10Å
C24H20sing1.09Å1.10Å
C24H21sing1.09Å1.10Å
C25H22sing1.09Å1.10Å
C26H23sing1.09Å1.10Å
C26H24sing1.09Å1.10Å
C26H25sing1.09Å1.10Å
N02H26sing0.97Å1.00Å
N02H27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C23C22N21106.0°103.2°
C22C23C24106.2°102.9°
C22C23H2110.3°110.7°
C22C23H3110.3°110.9°
C23C22H18110.3°110.6°
C23C22H19110.4°110.7°
C22N21C26110.6°111.0°
C22N21C25105.5°105.8°
N21C22H18110.3°110.7°
N21C22H19110.3°110.7°
C26N21C25109.6°111.0°
N21C26H23109.5°109.5°
N21C26H24109.5°109.5°
N21C26H25109.5°109.5°
C23C24C25104.5°105.2°
C24C23H2110.3°110.7°
C24C23H3110.3°110.8°
C23C24H20110.7°110.3°
C23C24H21110.7°110.3°
N21C25C24107.0°107.0°
N21C25C18110.2°109.9°
N21C25H22109.9°110.1°
C24C25C18111.4°109.9°
C25C24H20110.7°110.3°
C25C24H21110.7°110.3°
C24C25H22109.1°109.9°
C25C18C17108.4°109.5°
C25C18H6109.7°109.5°
C25C18H7109.7°109.4°
C18C25H22109.2°109.9°
C18C17C15108.3°109.5°
C18C17H4109.8°109.4°
C18C17H5109.8°109.5°
C17C18H6109.7°109.4°
C17C18H7109.7°109.5°
C17C15C16119.5°119.9°
C17C15C14119.4°120.0°
C15C17H4109.7°109.5°
C15C17H5109.8°109.5°
C16C15C14121.0°120.1°
C15C16C11119.4°120.1°
C15C16H17120.3°119.9°
C15C14C13118.9°120.0°
C15C14H1120.6°120.0°
C16C11C09120.4°120.0°
C16C11C12119.7°120.0°
C11C16H17120.3°120.0°
C06C08C0997.7°109.5°
C08C06N01119.5°119.6°
C08C06C05119.7°119.6°
C06C08H13112.3°109.5°
C06C08H14112.4°109.5°
C08C09C11114.9°109.5°
C09C08H13112.3°109.5°
C09C08H14112.3°109.4°
C08C09H15108.1°109.4°
C08C09H16108.1°109.5°
C06N01C02121.4°121.6°
N01C06C05120.7°120.9°
N01C02N02118.8°119.8°
N01C02C03119.9°120.6°
N02C02C03121.2°119.6°
C02N02H26109.5°120.0°
C02N02H27109.4°120.0°
C14C13C12120.5°120.0°
C14C13F13120.0°120.0°
C13C14H1120.6°120.0°
C06C05C04119.1°119.3°
C06C05H9120.4°120.3°
C02C03C04119.5°119.1°
C02C03H8120.3°120.5°
C09C11C12119.8°120.0°
C11C09H15108.1°109.5°
C11C09H16108.1°109.5°
C11C12C13120.4°119.9°
C11C12F12121.0°120.0°
C12C13F13119.5°120.0°
C13C12F12118.6°120.1°
C05C04C03119.3°118.5°
C05C04C07119.0°120.8°
C04C05H9120.4°120.3°
C03C04C07121.7°120.7°
C04C03H8120.3°120.4°
C04C07H10109.5°109.5°
C04C07H11109.5°109.4°
C04C07H12109.5°109.5°
H2C23H3109.5°110.6°
H4C17H5109.5°109.4°
H6C18H7109.5°109.5°
H10C07H11109.5°109.4°
H10C07H12109.4°109.5°
H11C07H12109.4°109.5°
H13C08H14109.5°109.5°
H15C09H16109.5°109.5°
H18C22H19109.5°110.8°
H20C24H21109.4°110.3°
H23C26H24109.5°109.4°
H23C26H25109.4°109.5°
H24C26H25109.5°109.4°
H26N02H27109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C23C22N21H18119.4°118.4°
C23C22N21H19119.5°118.4°
C23C22N21C26150.9°159.8°
C22C23C24H2119.5°118.3°
C22C23C24H3119.5°118.6°
C23C22N21C2532.4°39.2°
C22C23C24C251.3°22.0°
C22C23H2H3121.5°123.3°
C23C22H18H19121.6°123.1°
C22C23C24H20117.9°97.0°
C22C23C24H21120.6°140.9°
C22N21C26C25116.0°117.4°
N21C22C23C2420.6°37.5°
C22N21C25C2431.9°25.4°
C22N21C25C18153.1°144.7°
N21C22C23H2140.1°155.8°
N21C22C23H398.9°81.1°
N21C22H18H19121.6°123.2°
C22N21C25H2286.5°94.1°
C22N21C26H23180.0°65.3°
C22N21C26H2460.0°174.8°
C22N21C26H2560.0°54.8°
C26N21C25C24151.0°145.8°
C26N21C25C1887.7°94.8°
C26N21C22H1889.7°81.9°
C26N21C22H1931.4°41.3°
C26N21C25H2232.6°26.3°
N21C26H23H24120.0°120.0°
N21C26H23H25120.0°120.1°
N21C26H24H25120.0°120.0°
C23C24C25N2118.4°1.2°
C23C24C25H20119.2°119.0°
C23C24C25H21119.2°118.9°
C23C24C25C18138.9°120.5°
C24C23H2H3121.5°123.2°
C24C23C22H18140.0°155.8°
C24C23C22H1998.9°81.0°
C23C24H20H21122.3°122.1°
C23C24C25H22100.4°118.4°
N21C25C24C18120.5°119.3°
N21C25C24H22118.8°119.6°
N21C25C18H22120.8°121.3°
N21C25C18C17172.3°67.9°
N21C25C18H652.5°52.0°
N21C25C18H767.8°172.1°
C25N21C22H18151.8°157.6°
C25N21C22H1987.1°79.2°
N21C25C24H20137.6°120.2°
N21C25C24H21100.8°117.7°
C25N21C26H2364.0°52.1°
C25N21C26H24176.0°67.8°
C25N21C26H2555.9°172.2°
C24C25C18H22120.6°121.1°
C24C25C18C1753.7°174.5°
C25C24C23H2120.8°140.3°
C25C24C23H3118.1°96.6°
C24C25C18H666.1°65.5°
C24C25C18H7173.6°54.5°
C25C24H20H21122.3°122.1°
C25C18C17H6119.8°120.0°
C25C18C17H7119.8°120.0°
C25C18C17C15171.4°174.4°
C25C18C17H451.6°54.5°
C25C18C17H568.7°65.5°
C25C18H6H7120.5°120.0°
C18C25C24H20101.8°120.5°
C18C25C24H2119.7°1.6°
C18C17C15H4119.8°120.0°
C18C17C15H5119.8°120.1°
C18C17C15C16104.1°90.0°
C18C17C15C1475.2°90.2°
C18C17H4H5120.5°120.0°
C17C18H6H7120.5°120.1°
C17C18C25H2266.9°53.4°
C17C15C16C14179.3°179.8°
C17C15C16C11179.5°180.0°
C17C15C14C13180.0°180.0°
C17C15C14H10.0°0.0°
C15C17H4H5120.5°120.0°
C15C17C18H668.8°65.6°
C15C17C18H751.6°54.5°
C17C15C16H170.5°0.2°
C15C16C11H17180.0°179.7°
C16C15C14C130.6°0.3°
C15C16C11C09179.5°180.0°
C15C16C11C120.5°0.0°
C16C15C14H1179.3°179.7°
C16C15C17H4136.1°150.0°
C16C15C17H515.7°30.1°
C14C15C16C110.2°0.3°
C15C14C13H1180.0°180.0°
C15C14C13C120.4°0.0°
C15C14C13F13179.8°180.0°
C14C15C17H444.6°29.7°
C14C15C17H5165.0°149.7°
C14C15C16H17179.9°180.0°
C16C11C09C0816.8°100.0°
C16C11C09C12179.0°180.0°
C16C11C12C130.7°0.2°
C16C11C12F12179.5°180.0°
C16C11C09H15104.0°140.0°
C16C11C09H16137.6°20.0°
C06C08C09H13118.0°120.0°
C06C08C09H14118.1°120.0°
C08C06N01C05175.3°180.0°
C08C06N01C02176.7°180.0°
C06C08C09C11179.3°NaN°
C08C06C05C04176.4°179.9°
C08C06C05H93.6°0.0°
C06C08H13H14125.5°120.0°
C06C08C09H1558.5°60.0°
C06C08C09H1659.9°60.0°
C09C08C06N0185.7°55.0°
C09C08C06C0589.6°125.0°
C08C09C11H15120.8°120.0°
C08C09C11H16120.8°120.0°
C08C09C11C12164.2°80.0°
C09C08H13H14125.5°120.0°
C08C09H15H16117.5°120.0°
C06N01C02N02179.7°179.7°
C06N01C02C030.3°0.0°
N01C06C05C041.1°0.0°
N01C06C05H9178.9°180.0°
N01C06C08H1332.3°65.0°
N01C06C08H14156.2°175.0°
N01C02N02C03180.0°179.7°
C02N01C06C051.4°0.0°
N01C02C03C041.2°0.0°
N01C02C03H8178.8°180.0°
N01C02N02H260.0°179.7°
N01C02N02H27120.0°0.3°
N02C02C03C04178.8°179.7°
N02C02C03H81.2°0.3°
C02N02H26H27120.0°180.0°
C14C13C12C110.2°0.2°
C14C13C12F13179.8°180.0°
C14C13C12F12180.0°180.0°
C06C05C04H9180.0°180.0°
C06C05C04C030.3°0.0°
C06C05C04C07178.9°180.0°
C05C06C08H13152.4°115.0°
C05C06C08H1428.5°5.0°
C02C03C04C051.5°0.0°
C02C03C04H8180.0°180.0°
C02C03C04C07180.0°180.0°
C03C02N02H26180.0°0.0°
C03C02N02H2760.0°180.0°
C09C11C12C13179.7°179.8°
C09C11C12F120.5°0.0°
C11C09C08H1362.7°60.0°
C11C09C08H1461.2°60.0°
C11C09H15H16117.5°120.0°
C09C11C16H170.5°0.3°
C11C12C13F12179.8°179.8°
C11C12C13F13179.6°179.7°
C12C11C09H1575.0°40.0°
C12C11C09H1643.4°160.0°
C12C11C16H17179.5°179.7°
C12C13C14H1179.5°180.0°
F13C13C12F120.3°0.0°
F13C13C14H10.3°0.0°
C05C04C03C07178.5°179.9°
C05C04C03H8178.6°179.9°
C05C04C07H1089.3°90.0°
C05C04C07H11150.7°29.9°
C05C04C07H1230.7°149.9°
C03C04C05H9179.7°180.0°
C03C04C07H1089.3°90.1°
C03C04C07H1130.8°150.0°
C03C04C07H12150.8°30.0°
C07C04C03H80.0°0.0°
C07C04C05H91.1°0.1°
C04C07H10H11120.0°119.9°
C04C07H10H12120.0°120.1°
C04C07H11H12120.0°120.0°
H2C23C22H18100.5°85.8°
H2C23C22H1920.6°37.3°
H2C23C24H201.6°21.3°
H2C23C24H21119.9°100.8°
H3C23C22H1820.5°37.3°
H3C23C22H19141.6°160.5°
H3C23C24H20122.6°144.5°
H3C23C24H211.1°22.3°
H4C17C18H6171.4°174.5°
H4C17C18H768.2°65.5°
H5C17C18H651.1°54.5°
H5C17C18H7171.4°174.6°
H6C18C25H22173.3°173.3°
H7C18C25H2252.9°66.6°
H10C07H11H12120.0°120.0°
H13C08C09H15176.5°60.0°
H13C08C09H1658.1°NaN°
H14C08C09H1559.6°180.0°
H14C08C09H16178.0°60.0°
H20C24C25H2218.8°0.6°
H21C24C25H22140.4°122.7°
H23C26H24H25120.0°120.0°

222624

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