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5ZQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19C20doub1.39Å1.29ÅAromatic
C19C18sing1.38Å1.54ÅAromatic
C20C21sing1.39Å1.50ÅAromatic
C18N3doub1.32Å1.29ÅAromatic
C21C17doub1.38Å1.33ÅAromatic
CL1C10sing1.74Å1.75Å
N3C17sing1.32Å1.49ÅAromatic
C17C16sing1.51Å1.54Å
C11C10doub1.38Å1.32ÅAromatic
C11C12sing1.38Å1.51ÅAromatic
C10C9sing1.38Å1.49ÅAromatic
C16N2sing1.47Å1.47Å
C12C7doub1.40Å1.32ÅAromatic
N2C15sing1.35Å1.45Å
C9C8doub1.38Å1.32ÅAromatic
C7C8sing1.39Å1.51ÅAromatic
C7C6sing1.48Å1.52Å
C15O1doub1.21Å1.20Å
C15C14sing1.51Å1.53Å
N1C6doub1.29Å1.44Å
N1C13sing1.46Å1.47Å
C14C13sing1.53Å1.50Å
C6C5sing1.48Å1.51Å
C13C23sing1.51Å1.50Å
C4C3sing1.51Å1.55Å
C5C3sing1.45Å1.30ÅAromatic
C5C22doub1.38Å1.30ÅAromatic
C23N5doub1.30Å1.31ÅAromatic
C23N4sing1.36Å1.38ÅAromatic
C3C2doub1.32Å1.33ÅAromatic
N5N6sing1.29Å1.43ÅAromatic
C22N4sing1.40Å1.41Å
C22S1sing1.71Å1.81ÅAromatic
N4C24sing1.35Å1.37ÅAromatic
N6C24doub1.31Å1.34ÅAromatic
C2C1sing1.51Å1.51Å
C2S1sing1.75Å1.84ÅAromatic
C24C25sing1.51Å1.54Å
C4H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C8H7sing1.08Å1.08Å
C13H11sing1.09Å1.10Å
C20H19sing1.08Å1.08Å
C21H20sing1.08Å1.08Å
C1H3sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C11H9sing1.08Å1.08Å
C12H10sing1.08Å1.08Å
C14H13sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C18H17sing1.08Å1.08Å
C19H18sing1.08Å1.08Å
C25H21sing1.09Å1.10Å
C25H22sing1.09Å1.10Å
C25H23sing1.09Å1.10Å
C9H8sing1.08Å1.08Å
N2H14sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C20C19C18120.2°119.2°
C19C20C21119.8°118.5°
C19C20H19120.1°120.8°
C20C19H18119.9°120.4°
C19C18N3119.9°120.7°
C19C18H17120.1°119.6°
C18C19H18119.9°120.4°
C20C21C17119.5°119.1°
C21C20H19120.1°120.8°
C20C21H20120.3°120.5°
C18N3C17119.7°121.7°
N3C18H17120.1°119.6°
C21C17N3120.9°120.8°
C21C17C16120.1°119.6°
C17C21H20120.3°120.4°
CL1C10C11122.8°119.9°
CL1C10C9114.8°119.9°
N3C17C16119.0°119.6°
C17C16N2110.6°109.5°
C17C16H16109.2°109.5°
C17C16H15109.2°109.4°
C10C11C12119.1°120.1°
C11C10C9122.3°120.3°
C10C11H9120.4°120.0°
C11C12C7119.1°119.9°
C12C11H9120.5°119.9°
C11C12H10120.5°120.1°
C10C9C8118.1°120.1°
C10C9H8120.9°120.0°
C16N2C15123.5°120.0°
N2C16H16109.2°109.5°
N2C16H15109.2°109.5°
C16N2H14118.2°120.0°
C12C7C8120.2°119.7°
C12C7C6122.3°120.1°
C7C12H10120.4°120.0°
N2C15O1121.9°120.0°
N2C15C14115.2°120.0°
C15N2H14118.2°120.0°
C9C8C7121.1°119.9°
C9C8H7119.4°120.1°
C8C9H8121.0°119.9°
C8C7C6117.5°120.1°
C7C8H7119.5°120.0°
C7C6N1107.3°117.0°
C7C6C5121.1°117.1°
O1C15C14122.8°120.0°
C15C14C13108.3°109.4°
C15C14H13109.7°109.5°
C15C14H12109.8°109.4°
C6N1C13115.2°122.4°
N1C6C5122.0°125.9°
N1C13C14110.5°109.6°
N1C13C23104.8°109.1°
N1C13H11110.6°109.5°
C14C13C23110.5°109.5°
C14C13H11110.1°109.6°
C13C14H13109.8°109.5°
C13C14H12109.7°109.5°
C6C5C3121.1°123.4°
C6C5C22120.2°124.8°
C13C23N5129.8°127.8°
C13C23N4120.5°125.1°
C23C13H11110.2°109.5°
C4C3C5126.4°123.1°
C4C3C2115.2°123.0°
C3C4H5109.5°109.4°
C3C4H6109.5°109.5°
C3C4H4109.5°109.5°
C3C5C22118.7°111.8°
C5C3C2118.4°113.9°
C5C22N4135.0°124.1°
C5C22S1107.9°111.0°
N5C23N4109.5°107.1°
C23N5N6108.9°109.7°
C23N4C22122.3°124.5°
C23N4C24105.7°106.5°
C3C2C1137.7°124.7°
C3C2S1105.9°110.6°
N5N6C24104.5°110.0°
N4C22S1116.8°124.9°
C22N4C24132.0°129.0°
C22S1C289.1°92.6°
N4C24N6111.3°106.7°
N4C24C25125.6°126.6°
N6C24C25123.1°126.7°
C1C2S1116.4°124.7°
C2C1H3109.5°109.5°
C2C1H1109.5°109.5°
C2C1H2109.5°109.5°
C24C25H21109.5°109.4°
C24C25H22109.5°109.5°
C24C25H23109.5°109.5°
H5C4H6109.4°109.5°
H5C4H4109.5°109.5°
H6C4H4109.5°109.5°
H3C1H1109.5°109.5°
H3C1H2109.5°109.5°
H1C1H2109.5°109.4°
H13C14H12109.5°109.6°
H16C16H15109.5°109.5°
H21C25H22109.4°109.5°
H21C25H23109.5°109.5°
H22C25H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C20C19C18H18180.0°180.0°
C19C20C21H19180.0°180.0°
C20C19C18N30.2°0.0°
C19C20C21C170.1°0.0°
C19C20C21H20179.9°180.0°
C20C19C18H17179.8°179.9°
C18C19C20C210.1°0.0°
C19C18N3H17180.0°179.9°
C19C18N3C170.1°0.0°
C18C19C20H19179.9°180.0°
C20C21C17H20180.0°180.0°
C20C21C17N30.2°0.0°
C20C21C17C16179.6°180.0°
C21C20C19H18179.9°180.0°
C18N3C17C210.1°0.0°
C18N3C17C16179.5°180.0°
N3C18C19H18179.8°180.0°
C21C17N3C16179.4°179.9°
C21C17C16N2179.2°95.0°
C17C21C20H19179.9°179.9°
C21C17C16H1659.1°145.0°
C21C17C16H1560.6°25.0°
CL1C10C11C9176.2°179.4°
CL1C10C11C12176.5°179.8°
CL1C10C9C8176.7°180.0°
CL1C10C11H93.5°0.6°
CL1C10C9H83.4°0.7°
N3C17C16N20.2°85.0°
N3C17C21H20179.8°179.9°
N3C17C16H16120.3°35.0°
N3C17C16H15120.0°155.1°
C17N3C18H17179.9°179.9°
C17C16N2H16120.2°120.0°
C17C16N2H15120.2°119.9°
C17C16N2C1579.1°180.0°
C16C17C21H200.4°0.0°
C17C16H16H15119.5°120.0°
C17C16N2H14100.9°0.0°
C10C11C12H9180.0°179.2°
C10C11C12C70.7°0.5°
C11C10C9C80.2°0.7°
C10C11C12H10179.3°179.5°
C11C10C9H8179.8°180.0°
C12C11C10C90.3°0.9°
C11C12C7H10180.0°180.0°
C11C12C7C81.7°0.0°
C11C12C7C6179.3°179.8°
C10C9C8H8180.0°179.3°
C10C9C8C70.8°0.1°
C10C9C8H7179.2°180.0°
C9C10C11H9179.7°180.0°
C16N2C15H14180.0°180.0°
C16N2C15O10.4°0.0°
C16N2C15C14178.2°180.0°
N2C16H16H15119.5°120.0°
C12C7C8C91.8°0.2°
C12C7C8C6177.7°179.8°
C12C7C6N149.2°146.9°
C12C7C6C5164.0°33.0°
C12C7C8H7178.2°179.7°
C7C12C11H9179.3°179.7°
N2C15O1C14177.7°180.0°
N2C15C14C13164.5°180.0°
N2C15C14H1375.7°60.0°
N2C15C14H1244.7°60.1°
C15N2C16H1641.1°60.0°
C15N2C16H15160.7°60.0°
C9C8C7H7180.0°179.9°
C9C8C7C6179.6°180.0°
C8C7C6N1133.2°33.0°
C8C7C6C513.7°147.2°
C8C7C12H10178.3°180.0°
C7C8C9H8179.2°179.4°
C7C6N1C5146.5°179.9°
C7C6N1C13179.3°175.2°
C7C6C5C358.4°36.1°
C7C6C5C22121.3°142.1°
C6C7C8H70.5°0.1°
C6C7C12H100.7°0.2°
O1C15C14C1317.7°0.0°
O1C15C14H13102.1°120.0°
O1C15C14H12137.5°120.0°
O1C15N2H14179.6°180.0°
C15C14C13N173.8°65.0°
C15C14C13H13119.8°120.0°
C15C14C13H12119.8°119.9°
C15C14C13C23170.6°175.3°
C15C14C13H1148.7°55.2°
C15C14H13H12120.6°120.0°
C14C15N2H141.8°0.0°
C6N1C13C14153.5°57.3°
C6N1C13C2387.4°62.6°
N1C6C5C3159.6°144.1°
N1C6C5C2220.7°37.7°
C6N1C13H1131.3°177.6°
N1C13C14C23115.5°119.6°
N1C13C14H11122.5°120.2°
C13N1C6C534.2°4.9°
N1C13C23H11119.0°119.9°
N1C13C23N5112.6°120.3°
N1C13C23N463.0°59.5°
N1C13C14H13166.4°54.9°
N1C13C14H1246.0°175.0°
C14C13C23H11121.9°120.2°
C14C13C23N56.5°119.8°
C14C13C23N4177.9°60.4°
C13C14H13H12120.5°120.1°
C6C5C3C40.8°3.2°
C6C5C3C22179.7°178.4°
C6C5C3C2179.7°176.9°
C6C5C22N45.6°4.1°
C6C5C22S1179.0°176.4°
C13C23N5N4176.0°179.9°
C13C23N5N6176.2°179.2°
C13C23N4C223.6°1.3°
C13C23N4C24176.5°179.1°
C23C13C14H1350.8°64.7°
C23C13C14H1269.5°55.4°
C4C3C5C2179.5°179.9°
C4C3C5C22179.5°178.4°
C4C3C2C12.0°0.3°
C4C3C2S1178.3°179.7°
C3C4H5H6120.0°119.9°
C3C4H5H4120.0°120.0°
C3C4H6H4120.0°120.0°
C3C5C22N4174.7°177.5°
C3C5C22S11.3°2.0°
C5C3C2C1178.5°179.8°
C5C3C2S11.3°0.2°
C5C3C4H589.7°95.2°
C5C3C4H6150.3°144.9°
C5C3C4H430.3°24.8°
C5C22N4C2332.6°33.6°
C22C5C3C20.0°1.5°
C5C22N4S1173.0°179.5°
C5C22N4C24147.4°146.8°
C5C22S1C21.6°1.6°
N5C23N4C22180.0°178.9°
N5C23N4C240.0°0.8°
C23N5N6C240.3°0.2°
N5C23C13H11128.4°0.4°
N4C23N5N60.2°0.7°
C23N4C22C24179.9°179.6°
C23N4C22S1140.3°145.9°
C23N4C24N60.2°0.7°
C23N4C24C25178.7°179.4°
N4C23C13H1156.0°179.4°
C3C2S1C221.6°0.8°
C3C2C1S1179.7°180.0°
C2C3C4H589.8°84.9°
C2C3C4H630.2°35.0°
C2C3C4H4150.2°155.1°
C3C2C1H3179.7°180.0°
C3C2C1H159.7°60.0°
C3C2C1H260.3°60.0°
N5N6C24N40.3°0.3°
N5N6C24C25178.8°179.8°
C22N4C24N6179.8°179.0°
N4C22S1C2176.3°177.9°
C22N4C24C251.3°0.9°
S1C22N4C2439.6°33.7°
C22S1C2C1178.2°179.2°
N4C24N6C25178.5°179.9°
N4C24C25H21178.3°90.0°
N4C24C25H2261.7°150.0°
N4C24C25H2358.3°29.9°
N6C24C25H210.0°90.1°
N6C24C25H22120.0°30.0°
N6C24C25H23120.0°150.0°
C2C1H3H1120.0°120.0°
C2C1H3H2120.0°120.0°
C2C1H1H2120.0°120.0°
S1C2C1H30.0°0.0°
S1C2C1H1120.0°120.0°
S1C2C1H2120.0°120.0°
C24C25H21H22120.0°120.0°
C24C25H21H23120.0°120.0°
C24C25H22H23120.0°120.0°
H5C4H6H4120.0°120.0°
H7C8C9H80.8°0.7°
H11C13C14H1371.1°175.1°
H11C13C14H12168.5°64.8°
H19C20C21H200.1°0.1°
H19C20C19H180.1°0.0°
H3C1H1H2120.0°120.0°
H9C11C12H100.7°0.3°
H16C16N2H14138.9°120.0°
H15C16N2H1419.2°119.9°
H17C18C19H180.2°0.0°
H21C25H22H23120.0°120.0°

226262

PDB entries from 2024-10-16

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