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J7R

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O4C15doub1.22Å1.20Å
C21C22doub1.39Å1.40ÅAromatic
C21C20sing1.36Å1.39ÅAromatic
C22C23sing1.36Å1.39ÅAromatic
C20C19doub1.40Å1.43ÅAromatic
C23C24doub1.40Å1.43ÅAromatic
C19C24sing1.42Å1.37ÅAromatic
C19C18sing1.40Å1.43ÅAromatic
C24C16sing1.46Å1.42ÅAromatic
C18N5doub1.31Å1.33ÅAromatic
C16C15sing1.48Å1.52Å
C16C17doub1.39Å1.39ÅAromatic
N5C17sing1.32Å1.34ÅAromatic
C15N4sing1.35Å1.44Å
C13C14sing1.53Å1.52Å
C13C12sing1.53Å1.53Å
N4C14sing1.46Å1.45Å
C14C9sing1.53Å1.53Å
C12C11sing1.53Å1.53Å
C11C10sing1.53Å1.53Å
C9C10sing1.53Å1.53Å
C9N3sing1.47Å1.48Å
C1N1sing1.47Å1.45Å
O1C2doub1.22Å1.18Å
N3C8sing1.39Å1.46Å
C2N1sing1.35Å1.45Å
C2C3sing1.47Å1.52Å
O3N2sing1.22Å1.40Å
C8C3doub1.40Å1.40ÅAromatic
C8C7sing1.39Å1.39ÅAromatic
C3C4sing1.40Å1.37ÅAromatic
N2C7sing1.48Å1.43Å
N2O2doub1.22Å1.17Å
C7C6doub1.38Å1.37ÅAromatic
C4C5doub1.38Å1.37ÅAromatic
C6C5sing1.39Å1.37ÅAromatic
C5BR1sing1.89Å1.91Å
N1H1sing0.97Å1.00Å
N3H2sing1.01Å1.00Å
C4H3sing1.08Å1.08Å
C6H4sing1.08Å1.08Å
C10H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C17H9sing1.08Å1.08Å
C20H10sing1.08Å1.08Å
C21H11sing1.08Å1.08Å
C22H12sing1.08Å1.08Å
C1H13sing1.09Å1.10Å
C1H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
C11H16sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C18H21sing1.08Å1.08Å
C23H22sing1.08Å1.08Å
C9H23sing1.09Å1.10Å
N4H24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O4C15C16122.3°120.0°
O4C15N4123.4°120.0°
C22C21C20120.5°121.1°
C21C22C23120.4°120.9°
C22C21H11119.8°119.5°
C21C22H12119.8°119.5°
C21C20C19119.5°119.5°
C21C20H10120.3°120.3°
C20C21H11119.8°119.4°
C22C23C24119.0°119.5°
C23C22H12119.8°119.6°
C22C23H22120.5°120.3°
C20C19C24119.8°119.2°
C20C19C18120.9°122.2°
C19C20H10120.2°120.2°
C23C24C19120.8°119.8°
C23C24C16121.1°122.5°
C24C23H22120.5°120.2°
C24C19C18119.3°118.6°
C19C24C16118.0°117.8°
C19C18N5121.6°120.9°
C19C18H21119.2°119.5°
C24C16C15118.0°121.2°
C24C16C17119.3°117.7°
C18N5C17120.0°123.8°
N5C18H21119.2°119.6°
C15C16C17122.6°121.2°
C16C15N4114.3°120.0°
C16C17N5121.9°121.3°
C16C17H9119.1°119.3°
N5C17H9119.1°119.4°
C15N4C14122.6°120.0°
C15N4H24118.7°120.0°
C14C13C12112.6°109.5°
C13C14N4111.7°109.5°
C13C14C9114.2°109.5°
C14C13H7108.7°109.5°
C14C13H8108.7°109.5°
C13C14H20108.3°109.4°
C13C12C11116.3°109.4°
C12C13H7108.7°109.4°
C12C13H8108.7°109.4°
C13C12H18107.7°109.5°
C13C12H19107.7°109.4°
N4C14C9105.1°109.5°
N4C14H20109.2°109.4°
C14N4H24118.8°120.0°
C14C9C10113.0°109.4°
C14C9N3111.7°109.5°
C9C14H20108.2°109.5°
C14C9H23107.7°109.5°
C12C11C10114.9°109.5°
C12C11H16108.1°109.4°
C12C11H17108.1°109.5°
C11C12H18107.7°109.5°
C11C12H19107.7°109.5°
C11C10C9114.7°109.5°
C11C10H5108.1°109.4°
C11C10H6108.2°109.5°
C10C11H16108.1°109.5°
C10C11H17108.1°109.5°
C10C9N3108.3°109.5°
C9C10H5108.2°109.4°
C9C10H6108.1°109.5°
C10C9H23107.7°109.5°
C9N3C8113.9°111.0°
C9N3H2108.4°111.0°
N3C9H23108.3°109.5°
C1N1C2119.0°120.0°
C1N1H1120.5°120.0°
N1C1H13109.5°109.5°
N1C1H14109.5°109.5°
N1C1H15109.5°109.5°
O1C2N1120.7°119.9°
O1C2C3117.3°120.0°
N3C8C3120.6°120.1°
N3C8C7120.4°120.2°
C8N3H2108.3°111.0°
N1C2C3121.9°120.0°
C2N1H1120.5°120.0°
C2C3C8123.4°120.2°
C2C3C4116.5°120.2°
O3N2C7119.7°120.0°
O3N2O2122.0°120.0°
C3C8C7119.1°119.7°
C8C3C4120.1°119.6°
C8C7N2122.2°119.9°
C8C7C6121.0°120.1°
C3C4C5118.9°119.9°
C3C4H3120.6°120.0°
C7N2O2118.2°120.0°
N2C7C6116.8°120.0°
C7C6C5118.4°120.4°
C7C6H4120.8°119.8°
C4C5C6122.5°120.3°
C4C5BR1118.3°119.8°
C5C4H3120.5°120.1°
C6C5BR1119.2°119.8°
C5C6H4120.8°119.8°
H5C10H6109.5°109.5°
H7C13H8109.5°109.5°
H13C1H14109.4°109.5°
H13C1H15109.5°109.4°
H14C1H15109.5°109.5°
H16C11H17109.5°109.5°
H18C12H19109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O4C15C16C2478.6°0.0°
O4C15C16N4180.0°179.9°
O4C15C16C17104.1°180.0°
O4C15N4C142.7°0.1°
O4C15N4H24177.3°180.0°
C22C21C20H11180.0°179.9°
C21C22C23H12180.0°180.0°
C22C21C20C190.7°0.1°
C21C22C23C241.2°0.0°
C22C21C20H10179.3°180.0°
C21C22C23H22178.8°180.0°
C20C21C22C231.3°0.0°
C21C20C19H10180.0°179.9°
C21C20C19C240.1°0.1°
C21C20C19C18179.8°179.8°
C20C21C22H12178.7°179.9°
C22C23C24H22180.0°180.0°
C22C23C24C190.6°0.0°
C22C23C24C16178.7°180.0°
C23C22C21H11178.7°179.9°
C20C19C24C230.0°0.1°
C20C19C24C18179.8°179.7°
C20C19C24C16179.3°180.0°
C20C19C18N5179.7°180.0°
C19C20C21H11179.3°180.0°
C20C19C18H210.3°0.0°
C23C24C19C16179.3°180.0°
C23C24C19C18179.9°179.7°
C23C24C16C151.5°0.0°
C23C24C16C17178.9°180.0°
C24C23C22H12178.8°180.0°
C24C19C18N50.1°0.3°
C19C24C16C15179.2°180.0°
C19C24C16C171.8°0.0°
C24C19C20H10179.9°180.0°
C24C19C18H21179.9°179.7°
C19C24C23H22179.4°180.0°
C18C19C24C160.9°0.3°
C19C18N5H21180.0°179.9°
C19C18N5C170.2°0.1°
C18C19C20H100.2°0.3°
C24C16C15C17177.3°180.0°
C24C16C17N51.9°0.3°
C24C16C15N4101.4°180.0°
C24C16C17H9178.1°179.9°
C16C24C23H221.3°0.0°
C18N5C17C160.9°0.2°
C18N5C17H9179.1°179.9°
C15C16C17N5179.1°179.8°
C16C15N4C14177.3°180.0°
C15C16C17H90.9°0.1°
C16C15N4H242.7°0.1°
C16C17N5H9180.0°179.7°
C17C16C15N475.9°0.1°
C17N5C18H21179.8°180.0°
C15N4C14C1373.3°84.9°
C15N4C14H24180.0°179.9°
C15N4C14C9162.3°155.0°
C15N4C14H2046.5°35.0°
C14C13C12H7120.5°120.1°
C14C13C12H8120.5°120.0°
C13C14N4C9124.4°120.1°
C13C14N4H20119.8°120.0°
C13C14C9H20120.7°120.0°
C14C13C12C118.4°60.0°
C13C14C9C1055.4°60.0°
C13C14C9N366.9°180.0°
C14C13H7H8118.6°120.0°
C14C13C12H18129.4°180.0°
C14C13C12H19112.6°60.0°
C13C14C9H23174.2°60.0°
C13C14N4H24106.6°95.0°
C12C13C14N4160.9°60.0°
C12C13C14C941.9°60.0°
C13C12C11H18121.0°120.0°
C13C12C11H19121.0°119.9°
C13C12C11C1046.7°60.0°
C12C13H7H8118.6°119.9°
C13C12C11H1674.1°179.9°
C13C12C11H17167.5°60.1°
C13C12H18H19116.9°120.0°
C12C13C14H2078.7°180.0°
N4C14C9H20116.6°119.9°
N4C14C9C10178.2°60.0°
N4C14C9N355.8°59.9°
N4C14C13H778.6°60.0°
N4C14C13H840.5°180.0°
N4C14C9H2363.0°180.0°
C14C9C10C1116.2°60.0°
C14C9C10N3124.3°120.0°
C14C9C10H23118.8°120.0°
C14C9N3H23118.4°120.0°
C14C9N3C8157.8°154.7°
C14C9N3H281.5°81.3°
C14C9C10H5104.5°180.0°
C14C9C10H6137.0°60.0°
C9C14C13H7162.4°180.0°
C9C14C13H878.6°60.0°
C9C14N4H2417.7°25.1°
C12C11C10H16120.8°119.9°
C12C11C10H17120.8°120.0°
C12C11C10C932.7°60.1°
C12C11C10H5153.5°180.0°
C12C11C10H688.0°60.0°
C11C12C13H7112.1°180.0°
C11C12C13H8128.9°60.0°
C12C11H16H17117.5°120.0°
C11C12H18H19116.9°120.0°
C11C10C9H5120.8°119.9°
C11C10C9H6120.8°120.0°
C11C10C9N3108.0°180.0°
C11C10H5H6117.6°120.0°
C10C11H16H17117.5°120.1°
C10C11C12H18167.7°180.0°
C10C11C12H1974.3°59.9°
C11C10C9H23135.0°59.9°
C10C9N3H23116.5°120.0°
C10C9N3C877.2°85.3°
C10C9N3H243.5°38.6°
C9C10H5H6117.6°120.1°
C9C10C11H1688.1°180.0°
C9C10C11H17153.5°60.0°
C10C9C14H2065.2°180.0°
C9N3C8H2120.7°124.0°
C9N3C8C368.8°95.0°
C9N3C8C7109.5°85.5°
N3C9C10H5131.2°60.0°
N3C9C10H612.7°60.0°
N3C9C14H20172.4°60.0°
C1N1C2O10.7°0.3°
C1N1C2H1180.0°179.7°
C1N1C2C3178.8°179.7°
N1C1H13H14120.0°120.1°
N1C1H13H15120.0°120.0°
N1C1H14H15120.0°120.1°
O1C2N1C3178.0°180.0°
O1C2C3C841.4°6.4°
O1C2C3C4136.2°173.5°
O1C2N1H1179.2°180.0°
N3C8C3C23.2°0.1°
N3C8C3C7178.3°179.5°
N3C8C3C4179.3°180.0°
N3C8C7N22.0°0.3°
N3C8C7C6178.6°179.7°
C8N3C9H2339.4°34.7°
N1C2C3C8140.5°173.6°
N1C2C3C441.9°6.4°
C2N1C1H13180.0°179.7°
C2N1C1H1460.0°59.7°
C2N1C1H1560.0°60.3°
C2C3C8C4177.5°179.9°
C2C3C8C7178.5°179.5°
C2C3C4C5179.2°179.4°
C3C2N1H11.2°0.0°
C2C3C4H30.8°0.3°
O3N2C7C811.2°5.7°
O3N2C7O2176.5°180.0°
O3N2C7C6168.2°174.3°
C3C8C7N2179.7°179.8°
C3C8C7C60.3°0.2°
C8C3C4C51.5°0.5°
C3C8N3H2170.6°29.0°
C8C3C4H3178.5°179.7°
C7C8C3C41.0°0.5°
C8C7N2C6179.4°180.0°
C8C7N2O2172.3°174.3°
C8C7C6C50.2°0.0°
C7C8N3H211.2°150.5°
C8C7C6H4179.8°180.0°
C3C4C5H3180.0°179.8°
C3C4C5C61.4°0.2°
C3C4C5BR1179.3°179.8°
N2C7C6C5179.6°180.0°
N2C7C6H40.4°0.0°
O2N2C7C68.3°5.7°
C7C6C5C40.7°0.0°
C7C6C5H4180.0°180.0°
C7C6C5BR1180.0°180.0°
C4C5C6BR1179.3°180.0°
C4C5C6H4179.3°180.0°
C6C5C4H3178.6°180.0°
BR1C5C4H30.7°0.0°
BR1C5C6H40.0°0.0°
H1N1C1H130.0°0.1°
H1N1C1H14120.0°120.0°
H1N1C1H15120.0°120.0°
H2N3C9H23160.0°158.7°
H5C10C11H1632.7°60.1°
H5C10C11H1785.7°60.0°
H5C10C9H2314.2°60.0°
H6C10C11H16151.2°59.9°
H6C10C11H1732.8°180.0°
H6C10C9H23104.2°180.0°
H7C13C12H188.9°60.0°
H7C13C12H19126.9°60.1°
H7C13C14H2041.8°60.0°
H8C13C12H18110.1°60.0°
H8C13C12H197.9°180.0°
H8C13C14H20160.8°60.0°
H10C20C21H110.7°0.1°
H11C21C22H121.3°0.0°
H12C22C23H221.2°0.0°
H13C1H14H15120.0°119.9°
H16C11C12H1846.9°60.0°
H16C11C12H19164.9°60.0°
H17C11C12H1871.5°59.9°
H17C11C12H1946.5°180.0°
H20C14C9H2353.6°60.0°
H20C14N4H24133.6°145.0°

226707

PDB entries from 2024-10-30

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