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KB4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL11C09sing1.74Å1.75Å
C09N10doub1.31Å1.31ÅAromatic
C09N08sing1.32Å1.32ÅAromatic
N10C04sing1.34Å1.36ÅAromatic
N08C07doub1.33Å1.32ÅAromatic
C04C03doub1.41Å1.42ÅAromatic
C04C05sing1.41Å1.35ÅAromatic
C03C02sing1.37Å1.40ÅAromatic
C07C05sing1.42Å1.42ÅAromatic
C07N12sing1.38Å1.43Å
C05N06doub1.33Å1.36ÅAromatic
C02C01doub1.39Å1.41ÅAromatic
C18N12sing1.47Å1.42Å
C18C16sing1.50Å1.55Å
N12C13sing1.40Å1.43Å
N06C01sing1.31Å1.34ÅAromatic
C22C13doub1.38Å1.40ÅAromatic
C22C21sing1.38Å1.41ÅAromatic
C13C14sing1.40Å1.36ÅAromatic
O17C16doub1.21Å1.18Å
C16N15sing1.35Å1.43Å
C21C20doub1.39Å1.42ÅAromatic
C14N15sing1.40Å1.47Å
C14C19doub1.38Å1.41ÅAromatic
C20C19sing1.39Å1.38ÅAromatic
C20O23sing1.36Å1.40Å
O23C24sing1.43Å1.39Å
C01H1sing1.08Å1.08Å
C02H2sing1.08Å1.08Å
C03H3sing1.08Å1.08Å
N15H4sing0.97Å1.00Å
C18H5sing1.09Å1.10Å
C18H6sing1.09Å1.10Å
C19H7sing1.08Å1.08Å
C21H8sing1.08Å1.08Å
C22H9sing1.08Å1.08Å
C24H10sing1.09Å1.10Å
C24H11sing1.09Å1.10Å
C24H12sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL11C09N10120.6°118.5°
CL11C09N08116.7°118.6°
N10C09N08122.7°122.8°
C09N10C04119.3°120.4°
C09N08C07120.2°121.6°
N10C04C03119.0°122.1°
N10C04C05121.3°119.0°
N08C07C05120.2°118.2°
N08C07N12117.1°120.9°
C03C04C05119.7°118.9°
C04C03C02117.8°118.1°
C04C03H3121.1°120.9°
C04C05C07116.3°117.9°
C04C05N06122.0°120.2°
C03C02C01119.2°120.0°
C03C02H2120.4°120.0°
C02C03H3121.1°121.0°
C05C07N12122.7°120.9°
C07C05N06121.7°121.8°
C07N12C18117.2°121.1°
C07N12C13124.9°121.1°
C05N06C01120.4°121.2°
C02C01N06121.0°121.7°
C02C01H1119.5°119.2°
C01C02H2120.4°120.0°
N12C18C16113.1°109.3°
C18N12C13117.7°117.9°
N12C18H5108.6°109.6°
N12C18H6108.5°109.5°
C18C16O17123.4°119.5°
C18C16N15113.2°120.9°
C16C18H5108.6°109.6°
C16C18H6108.6°109.3°
N12C13C22123.0°121.0°
N12C13C14116.4°118.7°
N06C01H1119.5°119.1°
C13C22C21119.5°119.8°
C22C13C14120.5°120.3°
C13C22H9120.2°120.1°
C22C21C20119.7°120.1°
C22C21H8120.2°119.9°
C21C22H9120.2°120.1°
C13C14N15120.8°119.5°
C13C14C19120.9°119.7°
O17C16N15123.4°119.6°
C16N15C14120.7°120.8°
C16N15H4119.7°119.6°
C21C20C19119.2°120.3°
C21C20O23124.3°119.8°
C20C21H8120.2°120.0°
N15C14C19118.3°120.8°
C14N15H4119.7°119.6°
C14C19C20120.1°119.8°
C14C19H7120.0°120.1°
C19C20O23116.4°119.9°
C20C19H7120.0°120.1°
C20O23C24118.3°117.0°
O23C24H10109.5°109.5°
O23C24H11109.5°109.5°
O23C24H12109.5°109.5°
H5C18H6109.5°109.6°
H10C24H11109.5°109.4°
H10C24H12109.5°109.5°
H11C24H12109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL11C09N10N08178.0°179.9°
CL11C09N10C04179.2°180.0°
CL11C09N08C07179.5°180.0°
N10C09N08C071.4°0.0°
C09N10C04C03180.0°180.0°
C09N10C04C050.0°0.0°
N08C09N10C041.2°0.0°
C09N08C07C050.5°0.0°
C09N08C07N12179.9°179.9°
N10C04C03C05180.0°179.9°
N10C04C03C02180.0°179.9°
N10C04C05C070.7°0.1°
N10C04C05N06180.0°179.9°
N10C04C03H30.0°0.1°
N08C07C05C040.5°0.1°
N08C07C05N12179.3°179.9°
N08C07C05N06179.8°180.0°
N08C07N12C1832.5°172.1°
N08C07N12C13141.8°7.6°
C04C03C02H3180.0°180.0°
C03C04C05C07179.3°180.0°
C03C04C05N060.0°0.0°
C04C03C02C010.5°0.0°
C04C03C02H2179.5°179.9°
C05C04C03C020.0°0.0°
C04C05C07N06179.3°180.0°
C04C05C07N12178.8°180.0°
C04C05N06C010.6°0.0°
C05C04C03H3180.0°180.0°
C03C02C01H2180.0°180.0°
C03C02C01N061.0°0.0°
C03C02C01H1179.0°180.0°
C05C07N12C18146.8°8.0°
C05C07N12C1338.9°172.4°
C07C05N06C01178.7°180.0°
N12C07C05N060.5°0.0°
C07N12C18C13174.7°179.6°
C07N12C18C16134.7°138.1°
C07N12C13C2231.2°29.5°
C07N12C13C14149.7°150.6°
C07N12C18H5104.7°18.0°
C07N12C18H614.2°102.2°
C05N06C01C021.1°0.0°
C05N06C01H1178.9°180.0°
C02C01N06H1180.0°180.0°
C01C02C03H3179.5°180.0°
N12C18C16H5120.6°120.0°
N12C18C16H6120.5°119.9°
C18N12C13C22143.1°150.8°
C18N12C13C1436.0°29.1°
N12C18C16O17149.4°151.2°
N12C18C16N1529.5°28.6°
N12C18H5H6118.3°120.2°
C16C18N12C1350.5°41.6°
C18C16O17N15178.8°179.8°
C18C16N15C142.8°2.2°
C18C16N15H4177.2°177.8°
C16C18H5H6118.4°119.9°
N12C13C22C14179.0°179.9°
N12C13C22C21179.6°179.8°
N12C13C14N150.5°0.4°
N12C13C14C19179.2°179.7°
C13N12C18H570.0°161.6°
C13N12C18H6171.1°78.2°
N12C13C22H90.4°0.2°
N06C01C02H2179.0°179.9°
C13C22C21H9180.0°180.0°
C13C22C21C200.4°0.1°
C22C13C14N15178.6°179.7°
C22C13C14C190.1°0.2°
C13C22C21H8179.6°180.0°
C21C22C13C140.6°0.1°
C22C21C20H8180.0°180.0°
C22C21C20C190.2°0.2°
C22C21C20O23178.8°179.9°
C13C14N15C1618.4°14.1°
C13C14N15C19178.8°179.9°
C13C14C19C200.5°0.1°
C13C14N15H4161.6°166.0°
C13C14C19H7179.5°179.8°
C14C13C22H9179.4°179.9°
O17C16N15C14178.2°177.6°
O17C16N15H41.7°2.4°
O17C16C18H590.0°31.1°
O17C16C18H628.9°89.0°
C16N15C14H4180.0°180.0°
C16N15C14C19160.4°166.1°
N15C16C18H591.1°148.7°
N15C16C18H6150.0°91.3°
C21C20C19C140.6°0.1°
C21C20C19O23178.7°180.0°
C21C20O23C244.4°0.0°
C21C20C19H7179.4°180.0°
C20C21C22H9179.6°179.9°
N15C14C19C20179.3°179.8°
N15C14C19H70.7°0.3°
C14C19C20H7180.0°180.0°
C14C19C20O23179.3°180.0°
C19C14N15H419.6°13.9°
C19C20O23C24174.2°180.0°
C19C20C21H8179.8°179.9°
O23C20C19H70.7°0.0°
O23C20C21H81.2°0.1°
C20O23C24H10180.0°180.0°
C20O23C24H1160.0°60.1°
C20O23C24H1260.0°60.0°
O23C24H10H11120.0°119.9°
O23C24H10H12120.0°120.0°
O23C24H11H12120.0°120.0°
H1C01C02H21.0°0.0°
H2C02C03H30.5°0.0°
H8C21C22H90.4°0.0°
H10C24H11H12120.0°120.0°

223532

PDB entries from 2024-08-07

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