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EWH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CNsing1.47Å1.48Å
C1Nsing1.47Å1.46Å
C1C2sing1.53Å1.52Å
NC23sing1.47Å1.46Å
C2N1sing1.47Å1.47Å
C23C22sing1.53Å1.53Å
N1C22sing1.47Å1.47Å
N1C3sing1.40Å1.43Å
C4C3doub1.39Å1.40ÅAromatic
C4C5sing1.38Å1.39ÅAromatic
C3C21sing1.39Å1.40ÅAromatic
C5C6doub1.39Å1.39ÅAromatic
C21C20doub1.38Å1.39ÅAromatic
C6C20sing1.39Å1.39ÅAromatic
C6N2sing1.40Å1.41Å
N2C7sing1.39Å1.36Å
C12C13doub1.38Å1.39ÅAromatic
C12C11sing1.38Å1.38ÅAromatic
C13C14sing1.39Å1.40ÅAromatic
C11C10doub1.38Å1.38ÅAromatic
C7N3doub1.32Å1.33ÅAromatic
C7N6sing1.33Å1.34ÅAromatic
N3C8sing1.33Å1.34ÅAromatic
C14C9doub1.39Å1.40ÅAromatic
C14N5sing1.40Å1.42Å
C10C9sing1.39Å1.40ÅAromatic
C9N4sing1.40Å1.41Å
N5C15sing1.35Å1.35Å
N6C19doub1.33Å1.34ÅAromatic
N4C8sing1.39Å1.36Å
C8C18doub1.40Å1.40ÅAromatic
C16C15sing1.47Å1.49Å
C16C17doub1.33Å1.27Å
C15Odoub1.22Å1.25Å
C19C18sing1.38Å1.39ÅAromatic
C18CLsing1.74Å1.74Å
C2H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C4H3sing1.08Å1.08Å
N4H4sing0.97Å1.00Å
C5H5sing1.08Å1.08Å
N5H6sing0.97Å1.00Å
C16H7sing1.08Å1.08Å
C17H8sing1.08Å1.08Å
C17H9sing1.08Å1.08Å
C13H10sing1.08Å1.08Å
C12H11sing1.08Å1.08Å
C11H12sing1.08Å1.08Å
C10H13sing1.08Å1.08Å
C19H14sing1.08Å1.08Å
N2H15sing0.97Å1.00Å
C20H16sing1.08Å1.08Å
C21H17sing1.08Å1.08Å
C1H18sing1.09Å1.10Å
C1H19sing1.09Å1.10Å
C22H20sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
CH25sing1.09Å1.10Å
CH26sing1.09Å1.10Å
CH27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CNC1110.8°111.0°
CNC23110.8°111.0°
NCH25109.5°109.5°
NCH26109.5°109.5°
NCH27109.4°109.5°
NC1C2110.8°109.4°
C1NC23109.5°110.8°
NC1H18109.2°109.5°
NC1H19109.1°109.5°
C1C2N1110.6°109.4°
C1C2H1109.2°109.5°
C1C2H2109.2°109.5°
C2C1H18109.2°109.5°
C2C1H19109.1°109.5°
NC23C22111.0°109.4°
NC23H22109.1°109.5°
NC23H23109.1°109.5°
C2N1C22111.6°110.9°
C2N1C3119.1°111.0°
N1C2H1109.2°109.5°
N1C2H2109.2°109.5°
C23C22N1111.2°109.4°
C23C22H20109.1°109.5°
C23C22H21109.0°109.5°
C22C23H22109.1°109.4°
C22C23H23109.1°109.5°
C22N1C3119.4°111.0°
N1C22H20109.0°109.5°
N1C22H21109.0°109.5°
N1C3C4120.7°120.0°
N1C3C21121.1°120.0°
C3C4C5120.8°120.0°
C4C3C21118.2°120.0°
C3C4H3119.6°120.0°
C4C5C6120.5°120.0°
C5C4H3119.6°120.0°
C4C5H5119.7°119.9°
C3C21C20120.8°120.0°
C3C21H17119.6°119.9°
C5C6C20119.4°120.0°
C5C6N2120.4°120.0°
C6C5H5119.8°120.1°
C21C20C6120.5°120.0°
C21C20H16119.8°120.0°
C20C21H17119.6°120.1°
C20C6N2120.2°120.0°
C6C20H16119.8°120.0°
C6N2C7128.4°120.0°
C6N2H15115.8°120.0°
N2C7N3114.3°119.2°
N2C7N6119.2°119.2°
C7N2H15115.8°120.0°
C13C12C11120.3°120.2°
C12C13C14120.2°120.0°
C12C13H10119.9°120.0°
C13C12H11119.8°119.9°
C12C11C10120.4°120.2°
C11C12H11119.8°119.9°
C12C11H12119.8°119.9°
C13C14C9119.2°119.8°
C13C14N5117.7°120.1°
C14C13H10119.9°120.0°
C11C10C9120.0°120.0°
C10C11H12119.8°119.9°
C11C10H13120.0°120.1°
N3C7N6126.5°121.7°
C7N3C8117.7°120.6°
C7N6C19115.4°120.9°
N3C8N4114.9°120.4°
N3C8C18120.3°119.1°
C9C14N5122.1°120.1°
C14C9C10119.7°119.8°
C14C9N4118.6°120.1°
C14N5C15130.5°120.0°
C14N5H6114.7°120.0°
C10C9N4121.4°120.1°
C9C10H13120.0°119.9°
C9N4C8127.6°120.0°
C9N4H4116.2°120.0°
N5C15C16114.5°120.0°
N5C15O122.6°120.0°
C15N5H6114.7°120.0°
N6C19C18122.8°119.3°
N6C19H14118.6°120.3°
N4C8C18123.6°120.5°
C8N4H4116.2°120.0°
C8C18C19117.2°118.5°
C8C18CL122.5°120.8°
C15C16C17122.2°120.0°
C16C15O122.8°120.0°
C15C16H7118.9°120.0°
C17C16H7118.9°120.0°
C16C17H8120.0°120.0°
C16C17H9120.0°120.0°
C19C18CL119.6°120.7°
C18C19H14118.6°120.4°
H1C2H2109.4°109.4°
H8C17H9120.0°120.0°
H18C1H19109.5°109.5°
H20C22H21109.5°109.5°
H22C23H23109.5°109.5°
H25CH26109.5°109.4°
H25CH27109.4°109.4°
H26CH27109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CNC1C23122.5°123.9°
CNC1C2169.4°64.5°
CNC23C22164.3°64.5°
CNC1H1870.4°175.5°
CNC1H1949.2°55.5°
CNC23H2275.5°55.4°
CNC23H2344.1°175.5°
NCH25H26120.0°120.0°
NCH25H27120.0°120.1°
NCH26H27120.0°120.1°
NC1C2H18120.2°120.0°
NC1C2H19120.2°120.0°
NC1C2N126.1°58.4°
C1NC23C2241.8°59.3°
NC1C2H1146.3°178.4°
NC1C2H294.0°61.6°
NC1H18H19119.4°120.0°
C1NC23H22162.0°179.2°
C1NC23H2378.4°60.7°
C1NCH25180.0°60.0°
C1NCH2660.0°179.9°
C1NCH2760.0°60.0°
C2C1NC2368.1°59.3°
C1C2N1H1120.2°119.9°
C1C2N1H2120.2°120.1°
C1C2N1C2237.0°59.3°
C1C2N1C3177.6°176.8°
C1C2H1H2119.5°120.0°
C2C1H18H19119.4°120.1°
NC23C22H22120.2°119.9°
NC23C22H23120.2°120.0°
NC23C22N120.7°58.4°
C23NC1H1852.1°60.7°
C23NC1H19171.7°179.3°
NC23C22H20141.0°61.6°
NC23C22H2199.5°178.4°
NC23H22H23119.3°120.1°
C23NCH2558.2°63.8°
C23NCH26178.3°56.2°
C23NCH2761.7°176.2°
C2N1C22C2362.7°59.3°
C2N1C22C3145.3°123.8°
C2N1C3C451.2°56.3°
C2N1C3C21130.7°123.8°
N1C2H1H2119.5°120.1°
N1C2C1H1894.1°61.5°
N1C2C1H19146.3°178.4°
C2N1C22H20177.0°60.6°
C2N1C22H2157.5°179.3°
C23C22N1H20120.3°119.9°
C23C22N1H21120.3°120.0°
C23C22N1C3152.0°176.8°
C23C22H20H21119.2°120.0°
C22C23H22H23119.3°120.0°
C22N1C3C4166.1°180.0°
C22N1C3C2112.0°0.0°
C22N1C2H183.2°179.3°
C22N1C2H2157.2°60.7°
N1C22H20H21119.2°120.1°
N1C22C23H2299.5°178.4°
N1C22C23H23141.0°61.6°
N1C3C4C21178.2°180.0°
N1C3C4C5177.8°180.0°
N1C3C21C20177.4°180.0°
C3N1C2H162.3°56.9°
C3N1C2H257.4°63.1°
N1C3C4H32.3°0.3°
N1C3C21H172.6°0.1°
C3N1C22H2031.7°63.2°
C3N1C22H2187.8°56.9°
C3C4C5H3180.0°179.7°
C3C4C5C60.1°0.0°
C4C3C21C200.7°0.1°
C3C4C5H5179.9°180.0°
C4C3C21H17179.2°180.0°
C5C4C3C210.4°0.0°
C4C5C6H5180.0°180.0°
C4C5C6C200.1°0.0°
C4C5C6N2179.1°180.0°
C3C21C20H17180.0°179.9°
C3C21C20C60.8°0.1°
C21C3C4H3179.6°179.7°
C3C21C20H16179.2°180.0°
C5C6C20C210.5°0.0°
C5C6C20N2179.2°180.0°
C5C6N2C7121.2°34.8°
C6C5C4H3179.9°179.7°
C5C6N2H1558.8°145.2°
C5C6C20H16179.5°180.0°
C21C20C6H16180.0°179.9°
C21C20C6N2178.7°179.9°
C20C6N2C759.6°145.1°
C20C6C5H5179.9°180.0°
C20C6N2H15120.4°34.8°
C6C20C21H17179.2°180.0°
C6N2C7H15180.0°180.0°
C6N2C7N30.4°174.7°
C6N2C7N6177.9°5.3°
N2C6C5H50.9°0.0°
N2C6C20H161.3°0.0°
N2C7N3N6177.2°180.0°
N2C7N3C8174.5°180.0°
N2C7N6C19177.6°180.0°
C13C12C11H11180.0°179.9°
C12C13C14H10180.0°179.9°
C13C12C11C102.1°0.3°
C12C13C14C94.6°0.1°
C12C13C14N5164.4°180.0°
C13C12C11H12177.9°179.9°
C11C12C13C140.6°0.1°
C12C11C10H12180.0°179.7°
C12C11C10C90.6°0.5°
C11C12C13H10179.5°180.0°
C12C11C10H13179.4°180.0°
C13C14C9N5168.4°180.0°
C13C14C9C106.0°0.3°
C13C14C9N4167.8°179.9°
C13C14N5C15146.6°24.7°
C13C14N5H633.5°155.3°
C14C13C12H11179.4°180.0°
C11C10C9C143.5°0.5°
C11C10C9H13180.0°179.5°
C11C10C9N4170.2°179.7°
C10C11C12H11178.0°179.8°
N3C7N6C190.4°0.0°
C7N3C8N4162.8°180.0°
C7N3C8C185.1°0.1°
N3C7N2H15179.5°5.4°
N6C7N3C82.8°0.0°
C7N6C19C181.3°0.0°
C7N6C19H14178.6°180.0°
N6C7N2H152.1°174.7°
N3C8N4C951.2°4.7°
N3C8N4C18167.4°179.9°
N3C8C18C194.2°0.1°
N3C8C18CL174.3°180.0°
N3C8N4H4128.8°175.3°
C14C9C10N4173.7°179.8°
C9C14N5C1522.0°155.2°
C14C9N4C8168.7°145.0°
C14C9N4H411.3°35.0°
C9C14N5H6157.9°24.8°
C9C14C13H10175.5°180.0°
C14C9C10H13176.5°180.0°
N5C14C9C10162.4°179.8°
N5C14C9N423.7°0.0°
C14N5C15H6180.0°180.0°
C14N5C15C16143.0°174.3°
C14N5C15O41.2°5.7°
N5C14C13H1015.6°0.0°
C10C9N4C85.0°34.8°
C10C9N4H4175.0°145.2°
C9C10C11H12179.4°179.7°
C9N4C8H4180.0°180.0°
C9N4C8C18141.4°175.2°
N4C9C10H139.8°0.2°
N5C15C16O175.8°180.0°
N5C15C16C17117.2°180.0°
N5C15C16H762.8°0.0°
N6C19C18C80.9°0.1°
N6C19C18H14180.0°179.9°
N6C19C18CL171.3°180.0°
N4C8C18C19162.5°180.0°
N4C8C18CL7.6°0.1°
C8C18C19CL170.4°179.9°
C18C8N4H438.6°4.8°
C8C18C19H14179.1°180.0°
C15C16C17H7180.0°180.0°
C16C15N5H637.0°5.7°
C15C16C17H8180.0°0.0°
C15C16C17H90.0°180.0°
C17C16C15O58.6°0.0°
C16C17H8H9180.0°180.0°
OC15N5H6138.8°174.3°
OC15C16H7121.4°180.0°
CLC18C19H148.7°0.1°
H1C2C1H1826.1°58.4°
H1C2C1H1993.5°61.7°
H2C2C1H18145.7°178.4°
H2C2C1H1926.1°58.3°
H3C4C5H50.1°0.3°
H7C16C17H80.0°180.0°
H7C16C17H9180.0°0.0°
H10C13C12H110.6°0.1°
H11C12C11H122.0°0.0°
H12C11C10H130.6°0.2°
H16C20C21H170.8°0.1°
H20C22C23H2220.8°58.4°
H20C22C23H2398.8°178.4°
H21C22C23H22140.3°61.7°
H21C22C23H2320.7°58.4°
H25CH26H27120.0°119.9°

221371

PDB entries from 2024-06-19

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