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KKW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL29C21sing1.74Å1.74Å
C21C22doub1.38Å1.37ÅAromatic
C21C20sing1.38Å1.38ÅAromatic
C22C02sing1.38Å1.37ÅAromatic
C20C19doub1.38Å1.39ÅAromatic
C02C03doub1.38Å1.39ÅAromatic
C03C19sing1.38Å1.39ÅAromatic
C19C01sing1.51Å1.52Å
C12C01sing1.55Å1.53Å
C12C16sing1.55Å1.55Å
C01C17sing1.54Å1.53Å
S28C15sing1.75Å1.71ÅAromatic
S28C13sing1.76Å1.72ÅAromatic
C15C14doub1.32Å1.36ÅAromatic
C07N24sing1.47Å1.46Å
C07C06sing1.53Å1.52Å
C17N23sing1.48Å1.47Å
N24C04sing1.47Å1.46Å
N24C18sing1.35Å1.34Å
C04C05sing1.53Å1.51Å
C16C18sing1.51Å1.53Å
C16N23sing1.49Å1.47Å
C14C11sing1.45Å1.43ÅAromatic
C18O27doub1.21Å1.23Å
C13C08doub1.40Å1.39ÅAromatic
C13C11sing1.40Å1.41ÅAromatic
N25C06sing1.47Å1.47Å
N25C05sing1.47Å1.47Å
N25C08sing1.39Å1.39Å
C08N26sing1.32Å1.36ÅAromatic
C11C10doub1.42Å1.41ÅAromatic
N26C09doub1.32Å1.34ÅAromatic
C10C09sing1.36Å1.38ÅAromatic
C10H1sing1.08Å1.08Å
C12H2sing1.09Å1.10Å
C12H3sing1.09Å1.10Å
C14H4sing1.08Å1.08Å
C15H5sing1.08Å1.08Å
C16H6sing1.09Å1.10Å
C22H7sing1.08Å1.08Å
C01H8sing1.09Å1.10Å
C02H9sing1.08Å1.08Å
C03H10sing1.08Å1.08Å
C04H11sing1.09Å1.10Å
C04H12sing1.09Å1.10Å
C05H13sing1.09Å1.10Å
C05H14sing1.09Å1.10Å
C06H15sing1.09Å1.10Å
C06H16sing1.09Å1.10Å
C07H17sing1.09Å1.10Å
C07H18sing1.09Å1.10Å
C09H19sing1.08Å1.08Å
C17H20sing1.09Å1.10Å
C17H21sing1.09Å1.10Å
C20H22sing1.08Å1.08Å
N23H23sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL29C21C22119.3°120.0°
CL29C21C20119.3°120.1°
C22C21C20121.4°120.0°
C21C22C02119.5°119.9°
C21C22H7120.3°120.0°
C21C20C19119.7°120.0°
C21C20H22120.1°120.0°
C22C02C03119.8°120.1°
C02C22H7120.2°120.0°
C22C02H9120.1°120.0°
C20C19C03118.1°120.0°
C20C19C01121.8°120.0°
C19C20H22120.1°120.0°
C02C03C19121.4°120.0°
C03C02H9120.1°119.9°
C02C03H10119.3°120.0°
C03C19C01120.1°120.0°
C19C03H10119.3°120.0°
C19C01C12116.7°110.3°
C19C01C17114.7°110.3°
C19C01H8107.6°110.3°
C01C12C16102.9°102.9°
C12C01C17102.3°105.1°
C01C12H2111.1°110.7°
C01C12H3111.1°110.8°
C12C01H8107.5°110.3°
C12C16C18108.8°110.6°
C12C16N23107.3°103.2°
C16C12H2111.1°110.6°
C16C12H3111.1°110.7°
C12C16H6109.3°110.7°
C01C17N23103.0°107.1°
C17C01H8107.5°110.4°
C01C17H20111.0°109.9°
C01C17H21111.0°109.9°
C15S28C1389.2°92.2°
S28C15C14115.0°111.3°
S28C15H5122.5°124.3°
S28C13C08125.3°131.3°
S28C13C11114.5°109.6°
C15C14C11112.7°114.8°
C15C14H4123.6°122.6°
C14C15H5122.5°124.3°
N24C07C06110.8°108.5°
C07N24C04113.8°118.2°
C07N24C18123.4°120.9°
N24C07H17109.1°109.6°
N24C07H18109.2°109.6°
C07C06N25111.3°109.3°
C07C06H15109.0°109.5°
C07C06H16109.0°109.4°
C06C07H17109.2°109.6°
C06C07H18109.1°109.6°
C17N23C16106.9°105.8°
N23C17H20111.1°109.9°
N23C17H21111.1°109.9°
C17N23H23110.1°111.0°
C04N24C18122.4°120.9°
N24C04C05109.4°108.5°
N24C04H11109.5°109.6°
N24C04H12109.5°109.8°
N24C18C16118.6°120.0°
N24C18O27121.7°120.0°
C04C05N25109.8°109.3°
C05C04H11109.5°109.7°
C05C04H12109.5°109.6°
C04C05H13109.4°109.5°
C04C05H14109.4°109.5°
C18C16N23111.4°110.7°
C16C18O27119.8°120.0°
C18C16H6109.6°110.6°
N23C16H6110.4°110.8°
C16N23H23110.1°111.0°
C14C11C13108.5°112.0°
C14C11C10133.7°130.4°
C11C14H4123.7°122.6°
C08C13C11120.2°119.0°
C13C08N25122.3°119.8°
C13C08N26120.7°120.4°
C13C11C10117.8°117.6°
C06N25C05109.8°111.3°
C06N25C08114.4°111.0°
N25C06H15109.0°109.5°
N25C06H16109.0°109.5°
C05N25C08116.1°111.0°
N25C05H13109.4°109.5°
N25C05H14109.4°109.5°
N25C08N26117.0°119.8°
C08N26C09119.0°121.9°
C11C10C09118.5°119.4°
C11C10H1120.7°120.3°
N26C09C10123.8°121.6°
N26C09H19118.1°119.2°
C09C10H1120.7°120.3°
C10C09H19118.1°119.2°
H2C12H3109.5°110.8°
H11C04H12109.5°109.6°
H13C05H14109.5°109.6°
H15C06H16109.5°109.5°
H17C07H18109.5°109.8°
H20C17H21109.5°110.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL29C21C22C20180.0°179.7°
CL29C21C22C02179.9°180.0°
CL29C21C20C19179.9°179.7°
CL29C21C22H70.1°0.3°
CL29C21C20H220.1°0.4°
C21C22C02H7180.0°179.7°
C22C21C20C190.1°0.0°
C21C22C02C030.1°0.2°
C21C22C02H9179.9°180.0°
C22C21C20H22179.9°179.9°
C20C21C22C020.1°0.3°
C21C20C19H22180.0°179.9°
C21C20C19C030.0°0.2°
C21C20C19C01180.0°180.0°
C20C21C22H7179.9°180.0°
C22C02C03H9180.0°179.8°
C22C02C03C190.0°0.0°
C22C02C03H10180.0°179.9°
C20C19C03C020.0°0.3°
C20C19C03C01180.0°179.7°
C20C19C01C1220.2°59.7°
C20C19C01C17139.9°56.0°
C20C19C01H8100.6°178.2°
C20C19C03H10180.0°179.7°
C02C03C19H10180.0°180.0°
C02C03C19C01180.0°180.0°
C03C02C22H7179.9°180.0°
C03C19C01C12159.7°120.0°
C03C19C01C1740.0°124.3°
C03C19C01H879.5°2.1°
C19C03C02H9180.0°179.8°
C03C19C20H22180.0°179.7°
C19C01C12C17126.1°118.9°
C19C01C12H8120.9°122.1°
C19C01C12C16159.0°140.9°
C19C01C17H8119.6°122.1°
C19C01C17N23169.7°117.7°
C19C01C12H240.0°100.9°
C19C01C12H382.1°22.5°
C01C19C03H100.1°0.0°
C19C01C17H2071.3°122.9°
C19C01C17H2150.8°1.7°
C01C19C20H220.0°0.1°
C01C12C16H2118.9°118.3°
C01C12C16H3119.0°118.4°
C12C01C17H8113.0°119.0°
C12C01C17N2342.3°1.2°
C01C12C16C18132.9°155.9°
C01C12C16N2312.3°37.5°
C01C12H2H3123.1°123.3°
C01C12C16H6107.5°81.1°
C12C01C17H20161.3°118.2°
C12C01C17H2176.6°120.6°
C16C12C01C1732.9°22.0°
C12C16N23C1714.3°39.2°
C12C16C18N2482.5°80.1°
C12C16C18N23118.0°113.8°
C12C16C18H6119.5°123.0°
C12C16N23H6119.1°118.5°
C12C16C18O2797.5°100.0°
C16C12H2H3123.0°123.2°
C16C12C01H880.2°97.0°
C12C16N23H23105.3°159.7°
C01C17N23H20118.9°119.3°
C01C17N23H21118.9°119.4°
C01C17N23C1635.3°25.3°
C17C01C12H286.0°140.3°
C17C01C12H3151.8°96.4°
C01C17H20H21123.0°121.1°
C01C17N23H2384.3°145.8°
S28C15C14H5180.0°180.0°
S28C15C14C110.0°0.0°
C15S28C13C08180.0°180.0°
C15S28C13C110.0°0.0°
S28C15C14H4180.0°180.0°
C13S28C15C140.0°0.0°
S28C13C11C140.0°0.0°
S28C13C08C11179.9°180.0°
S28C13C08N250.1°0.0°
S28C13C08N26180.0°180.0°
S28C13C11C10180.0°180.0°
C13S28C15H5180.0°180.0°
C15C14C11H4180.0°180.0°
C15C14C11C130.0°0.0°
C15C14C11C10180.0°180.0°
N24C07C06H17120.2°119.7°
N24C07C06H18120.2°119.7°
C07N24C04C18172.5°180.0°
C07N24C04C0555.3°51.2°
C07N24C18C166.5°180.0°
C07N24C18O27173.5°0.1°
N24C07C06N2552.8°53.8°
C07N24C04H11175.3°68.5°
C07N24C04H1264.7°171.0°
N24C07C06H15173.0°173.8°
N24C07C06H1667.5°66.2°
N24C07H17H18119.4°120.5°
C06C07N24C0452.2°51.2°
C06C07N24C18135.3°128.8°
C07C06N25H15120.3°119.9°
C07C06N25H16120.3°119.9°
C07C06N25C0558.0°63.1°
C07C06N25C08169.4°172.7°
C07C06H15H16119.2°120.0°
C06C07H17H18119.4°120.5°
C17N23C16C18104.6°157.6°
C17N23C16H23119.6°120.5°
C17N23C16H6133.4°79.3°
N23C17C01H870.7°120.2°
N23C17H20H21123.0°121.2°
N24C04C05H11120.0°119.7°
N24C04C05H12120.0°119.9°
C04N24C18C16178.3°0.0°
C04N24C18O271.7°179.9°
N24C04C05N2558.9°53.9°
N24C04H11H12120.0°120.6°
N24C04C05H1361.2°66.1°
N24C04C05H14178.9°173.8°
C04N24C07H1768.0°170.9°
C04N24C07H18172.4°68.6°
C18N24C04C05132.2°128.8°
N24C18C16O27180.0°179.9°
N24C18C16N23159.5°166.2°
N24C18C16H637.0°42.9°
C18N24C04H1112.2°111.5°
C18N24C04H12107.8°9.0°
C18N24C07H17104.5°9.1°
C18N24C07H1815.1°111.5°
C04C05N25C0661.0°63.1°
C04C05N25H13120.1°119.9°
C04C05N25H14120.1°119.9°
C04C05N25C08167.2°172.7°
C05C04H11H12120.0°120.3°
C04C05H13H14119.9°120.1°
C18C16N23H6122.0°123.1°
C18C16C12H213.9°85.8°
C18C16C12H3108.2°37.4°
C18C16N23H23135.8°81.9°
N23C16C18O2720.6°13.8°
N23C16C12H2106.7°155.8°
N23C16C12H3131.2°81.0°
C16N23C17H20154.2°94.0°
C16N23C17H2183.7°144.7°
C14C11C13C08180.0°180.0°
C14C11C13C10180.0°180.0°
C14C11C10C09180.0°180.0°
C14C11C10H10.0°0.3°
C11C14C15H5180.0°180.0°
O27C18C16H6143.0°137.0°
C13C08N25C0661.5°180.0°
C13C08N25C05168.9°55.7°
C13C08N25N26180.0°180.0°
C08C13C11C100.0°0.0°
C13C08N26C090.0°0.1°
C11C13C08N25180.0°180.0°
C11C13C08N260.0°0.0°
C13C11C10C090.0°0.1°
C13C11C10H1180.0°179.7°
C13C11C14H4180.0°180.0°
C06N25C05C08131.8°124.1°
C06N25C08N26118.4°0.1°
C06N25C05H1359.1°56.8°
C06N25C05H14179.0°176.9°
N25C06H15H16119.2°120.2°
N25C06C07H1767.4°173.5°
N25C06C07H18173.0°65.9°
C05N25C08N2611.2°124.2°
N25C05C04H11178.8°65.9°
N25C05C04H1261.1°173.8°
N25C05H13H14119.8°120.1°
C05N25C06H15178.3°176.9°
C05N25C06H1662.3°56.8°
N25C08N26C09180.0°180.0°
C08N25C05H1372.7°67.3°
C08N25C05H1447.2°52.8°
C08N25C06H1549.1°52.8°
C08N25C06H1670.4°67.3°
C08N26C09C100.0°0.0°
C08N26C09H19180.0°179.7°
C11C10C09N260.0°0.0°
C11C10C09H1180.0°179.7°
C10C11C14H40.0°0.0°
C11C10C09H19180.0°179.7°
N26C09C10H19180.0°179.7°
N26C09C10H1180.0°179.7°
H1C10C09H190.0°0.0°
H2C12C16H6133.6°37.2°
H2C12C01H8160.9°21.2°
H3C12C16H611.5°160.4°
H3C12C01H838.8°144.6°
H4C14C15H50.0°0.0°
H6C16N23H2313.8°41.2°
H7C22C02H90.1°0.3°
H8C01C17H2048.3°0.8°
H8C01C17H21170.4°120.4°
H9C02C03H100.0°0.3°
H11C04C05H1358.8°174.2°
H11C04C05H1461.1°54.0°
H12C04C05H13178.8°53.8°
H12C04C05H1458.9°66.3°
H15C06C07H1752.9°66.5°
H15C06C07H1866.8°54.1°
H16C06C07H17172.3°53.6°
H16C06C07H1852.7°174.1°
H20C17N23H2334.6°26.5°
H21C17N23H23156.7°94.8°

222415

PDB entries from 2024-07-10

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