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EZJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC23sing1.74Å1.74Å
CL1C25sing1.74Å1.74Å
C24C25doub1.38Å1.38ÅAromatic
C24C23sing1.38Å1.38ÅAromatic
C25C26sing1.38Å1.38ÅAromatic
C23C22doub1.38Å1.38ÅAromatic
C26C21doub1.38Å1.39ÅAromatic
C22C21sing1.38Å1.39ÅAromatic
C21C1sing1.51Å1.51Å
C18C19doub1.38Å1.38ÅAromatic
C18C17sing1.38Å1.38ÅAromatic
C1Csing1.53Å1.52Å
C1O1sing1.43Å1.45Å
COsing1.43Å1.42Å
C19C20sing1.38Å1.39ÅAromatic
C17C16doub1.38Å1.39ÅAromatic
C20C15doub1.38Å1.39ÅAromatic
C16C15sing1.38Å1.39ÅAromatic
O1C2sing1.43Å1.45Å
C2C3sing1.53Å1.51Å
C2C14sing1.53Å1.53Å
C15C14sing1.51Å1.50Å
C3C4sing1.53Å1.53Å
C14Nsing1.47Å1.52Å
C4C5sing1.53Å1.51Å
NC5sing1.47Å1.50Å
NC6sing1.47Å1.50Å
C6C7sing1.51Å1.52Å
N1C7doub1.30Å1.32ÅAromatic
N1C8sing1.36Å1.40ÅAromatic
C7N2sing1.36Å1.36ÅAromatic
C8C9doub1.40Å1.39ÅAromatic
C8C13sing1.41Å1.39ÅAromatic
C9C10sing1.37Å1.39ÅAromatic
N2C13sing1.38Å1.38ÅAromatic
C13C12doub1.39Å1.39ÅAromatic
C10C11doub1.39Å1.39ÅAromatic
C12C11sing1.38Å1.39ÅAromatic
CH2sing1.09Å1.10Å
CH3sing1.09Å1.10Å
OH4sing0.97Å0.95Å
C24H5sing1.08Å1.08Å
C22H6sing1.08Å1.08Å
C26H7sing1.08Å1.08Å
C1H8sing1.09Å1.10Å
C2H9sing1.09Å1.10Å
C14H10sing1.09Å1.10Å
C20H11sing1.08Å1.08Å
C19H12sing1.08Å1.08Å
C18H13sing1.08Å1.08Å
C17H14sing1.08Å1.08Å
C16H15sing1.08Å1.08Å
C5H16sing1.09Å1.10Å
C5H17sing1.09Å1.10Å
C4H18sing1.09Å1.10Å
C4H19sing1.09Å1.10Å
C3H20sing1.09Å1.10Å
C3H21sing1.09Å1.10Å
C6H22sing1.09Å1.10Å
C6H23sing1.09Å1.10Å
N2H24sing0.97Å1.00Å
C12H26sing1.08Å1.08Å
C11H27sing1.08Å1.08Å
C10H28sing1.08Å1.08Å
C9H29sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC23C24118.9°120.0°
CLC23C22119.1°120.0°
CL1C25C24118.8°120.0°
CL1C25C26119.0°120.0°
C25C24C23117.5°120.0°
C24C25C26122.2°120.0°
C25C24H5121.2°120.1°
C24C23C22122.0°120.0°
C23C24H5121.3°120.0°
C25C26C21119.7°120.0°
C25C26H7120.2°120.0°
C23C22C21119.6°120.0°
C23C22H6120.2°120.0°
C26C21C22119.0°120.0°
C26C21C1115.6°120.0°
C21C26H7120.2°120.0°
C22C21C1125.4°120.0°
C21C22H6120.2°120.0°
C21C1C113.2°109.5°
C21C1O1114.4°109.5°
C21C1H8108.6°109.5°
C19C18C17119.7°119.9°
C18C19C20120.1°120.1°
C18C19H12119.9°120.0°
C19C18H13120.1°120.1°
C18C17C16120.3°120.0°
C17C18H13120.1°120.0°
C18C17H14119.9°120.0°
CC1O1102.5°109.5°
C1CO111.8°109.5°
C1CH2108.9°109.5°
C1CH3108.9°109.5°
CC1H8108.5°109.5°
C1O1C2122.3°114.0°
O1C1H8109.4°109.4°
OCH2108.9°109.5°
OCH3108.9°109.5°
COH4109.5°114.0°
C19C20C15120.7°119.9°
C19C20H11119.6°120.1°
C20C19H12119.9°120.0°
C17C16C15120.5°120.0°
C16C17H14119.8°120.0°
C17C16H15119.7°120.0°
C20C15C16118.6°120.0°
C20C15C14120.4°120.0°
C15C20H11119.6°120.0°
C16C15C14120.9°120.0°
C15C16H15119.7°120.0°
O1C2C3108.1°109.5°
O1C2C14106.0°109.5°
O1C2H9111.4°109.5°
C3C2C14110.6°109.3°
C2C3C4110.8°109.1°
C3C2H9110.5°109.5°
C2C3H20109.1°109.5°
C2C3H21109.2°109.5°
C2C14C15111.0°109.4°
C2C14N108.2°109.5°
C14C2H9110.2°109.5°
C2C14H10106.1°109.5°
C15C14N118.1°109.4°
C15C14H10106.4°109.5°
C3C4C5111.4°109.3°
C3C4H18109.0°109.5°
C3C4H19109.0°109.6°
C4C3H20109.1°109.5°
C4C3H21109.1°109.5°
C14NC5110.3°111.2°
C14NC6115.0°111.0°
NC14H10106.3°109.5°
C4C5N111.3°109.5°
C4C5H16109.0°109.5°
C4C5H17109.0°109.4°
C5C4H18109.0°109.5°
C5C4H19109.0°109.5°
C5NC6110.4°111.0°
NC5H16109.0°109.5°
NC5H17109.0°109.4°
NC6C7114.4°109.4°
NC6H22108.2°109.5°
NC6H23108.2°109.5°
C6C7N1117.6°125.0°
C6C7N2129.5°124.9°
C7C6H22108.3°109.5°
C7C6H23108.3°109.4°
C7N1C8105.0°109.6°
N1C7N2112.8°110.1°
N1C8C9130.5°133.6°
N1C8C13109.7°106.9°
C7N2C13107.2°107.3°
C7N2H24126.4°126.4°
C9C8C13119.7°119.4°
C8C9C10119.0°119.9°
C8C9H29120.5°120.0°
C8C13N2105.3°106.0°
C8C13C12121.5°119.8°
C9C10C11120.7°120.6°
C9C10H28119.7°119.7°
C10C9H29120.5°120.0°
N2C13C12133.2°134.2°
C13N2H24126.4°126.3°
C13C12C11118.1°119.7°
C13C12H26120.9°120.1°
C10C11C12120.8°120.5°
C10C11H27119.6°119.7°
C11C10H28119.6°119.7°
C11C12H26120.9°120.2°
C12C11H27119.6°119.8°
H2CH3109.5°109.5°
H16C5H17109.5°109.5°
H18C4H19109.5°109.5°
H20C3H21109.5°109.6°
H22C6H23109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC23C24C25177.9°180.0°
CLC23C24C22178.7°180.0°
CLC23C22C21177.1°180.0°
CLC23C24H52.1°0.1°
CLC23C22H62.9°0.0°
CL1C25C24C26178.3°179.7°
CL1C25C24C23177.5°180.0°
CL1C25C26C21176.7°179.7°
CL1C25C24H52.5°0.0°
CL1C25C26H73.3°0.0°
C25C24C23H5180.0°180.0°
C25C24C23C220.8°0.0°
C24C25C26C211.6°0.6°
C24C25C26H7178.4°179.7°
C23C24C25C260.8°0.3°
C24C23C22C211.6°0.0°
C24C23C22H6178.3°180.0°
C25C26C21H7180.0°179.7°
C25C26C21C220.7°0.5°
C25C26C21C1179.6°179.7°
C26C25C24H5179.2°179.7°
C23C22C21C260.8°0.3°
C23C22C21H6180.0°180.0°
C23C22C21C1178.8°180.0°
C22C23C24H5179.2°180.0°
C26C21C22C1179.6°179.7°
C26C21C1C148.6°85.3°
C26C21C1O194.4°34.7°
C26C21C22H6179.2°179.7°
C26C21C1H828.1°154.7°
C22C21C1C31.0°95.0°
C22C21C1O185.9°145.0°
C22C21C26H7179.3°179.7°
C22C21C1H8151.6°25.1°
C21C1CO1123.7°120.0°
C21C1CH8120.6°120.0°
C21C1O1H8122.1°120.0°
C21C1CO161.9°55.0°
C21C1O1C22.3°150.0°
C21C1CH277.7°175.0°
C21C1CH341.6°65.0°
C1C21C22H61.2°0.0°
C1C21C26H70.4°0.0°
C19C18C17H13180.0°179.9°
C18C19C20H12180.0°180.0°
C19C18C17C160.2°0.2°
C18C19C20C150.5°0.0°
C18C19C20H11179.5°180.0°
C19C18C17H14179.8°180.0°
C17C18C19C200.4°0.0°
C18C17C16H14180.0°179.8°
C18C17C16C150.8°0.5°
C17C18C19H12179.6°180.0°
C18C17C16H15179.2°180.0°
CC1O1H8115.0°120.1°
C1COH2120.4°120.0°
C1COH3120.3°120.0°
CC1O1C2125.2°90.0°
C1CH2H3118.9°120.0°
C1COH4180.0°180.0°
O1C1CO74.4°65.0°
C1O1C2C3117.6°90.0°
C1O1C2C14123.8°150.2°
O1C1CH246.0°55.0°
O1C1CH3165.3°175.0°
C1O1C2H93.9°30.1°
OCH2H3118.9°120.0°
OCC1H841.3°175.0°
C19C20C15H11180.0°180.0°
C19C20C15C160.0°0.2°
C19C20C15C14176.7°180.0°
C20C19C18H13179.6°179.9°
C17C16C15C200.7°0.5°
C17C16C15H15180.0°179.5°
C17C16C15C14176.0°179.7°
C16C17C18H13179.7°179.8°
C20C15C16C14176.8°179.8°
C20C15C14C297.5°100.0°
C20C15C14N136.7°140.0°
C20C15C14H1017.5°20.0°
C15C20C19H12179.5°180.0°
C20C15C16H15179.3°180.0°
C16C15C14C279.1°80.2°
C16C15C14N46.6°39.8°
C16C15C14H10165.8°159.8°
C16C15C20H11180.0°179.8°
C15C16C17H14179.2°179.7°
O1C2C3C14115.6°120.0°
O1C2C3H9122.1°120.1°
O1C2C14H9120.6°120.1°
O1C2C14C1574.5°59.2°
O1C2C3C458.8°62.3°
O1C2C14N56.7°60.7°
C2O1C1H8119.8°30.0°
O1C2C14H10170.3°179.2°
O1C2C3H20179.0°177.8°
O1C2C3H2161.4°57.6°
C3C2C14H9122.4°119.9°
C3C2C14C15168.5°179.2°
C2C3C4H20120.2°119.9°
C2C3C4H21120.2°119.9°
C3C2C14N60.3°59.3°
C2C3C4C553.3°57.6°
C3C2C14H1053.4°60.8°
C2C3C4H18173.5°62.3°
C2C3C4H1967.0°177.6°
C2C3H20H21119.4°120.2°
C2C14C15N125.8°120.0°
C2C14C15H10115.0°120.0°
C14C2C3C456.8°57.7°
C2C14NH10113.6°120.1°
C2C14NC560.9°61.8°
C2C14NC6173.4°174.1°
C14C2C3H2063.4°62.2°
C14C2C3H21177.0°177.6°
C15C14NH10119.3°120.0°
C15C14NC5171.9°178.3°
C15C14NC646.3°54.2°
C15C14C2H946.1°60.9°
C14C15C20H113.3°0.0°
C14C15C16H154.0°0.2°
C3C4C5H18120.3°120.0°
C3C4C5H19120.3°120.0°
C3C4C5N54.3°59.1°
C4C3C2H9179.1°177.6°
C3C4C5H1666.0°179.2°
C3C4C5H17174.5°60.8°
C3C4H18H19119.1°120.2°
C4C3H20H21119.4°120.2°
C14NC5C458.7°61.7°
C14NC5C6128.2°124.1°
C14NC6C7159.0°169.8°
NC14C2H9177.2°179.2°
C14NC5H1661.6°178.2°
C14NC5H17179.0°58.3°
C14NC6H2238.2°49.8°
C14NC6H2380.3°70.3°
C4C5NH16120.3°120.1°
C4C5NH17120.3°120.0°
C4C5NC6173.0°174.2°
C4C5H16H17119.2°120.0°
C5C4H18H19119.1°120.0°
C5C4C3H2066.9°62.3°
C5C4C3H21173.5°177.5°
C5NC6C775.4°66.0°
C5NC14H1052.7°58.3°
NC5H16H17119.1°119.9°
NC5C4H18174.5°60.8°
NC5C4H1966.0°179.2°
C5NC6H22163.9°174.0°
C5NC6H2345.4°53.9°
NC6C7H22120.7°120.0°
NC6C7H23120.7°120.0°
NC6C7N181.0°85.3°
NC6C7N297.5°95.1°
C6NC14H1073.0°65.8°
C6NC5H1666.7°54.1°
C6NC5H1752.7°65.8°
NC6H22H23117.7°120.0°
C6C7N1N2178.8°179.6°
C6C7N1C8178.6°179.9°
C6C7N2C13177.9°179.9°
C7C6H22H23117.8°120.0°
C6C7N2H242.1°0.1°
C7N1C8C9179.3°179.8°
C7N1C8C130.5°0.4°
N1C7N2C130.7°0.3°
N1C7C6H2239.7°154.7°
N1C7C6H23158.3°34.6°
N1C7N2H24179.3°179.8°
C8N1C7N20.1°0.4°
N1C8C9C13178.7°179.8°
N1C8C9C10179.0°179.7°
N1C8C13N20.9°0.2°
N1C8C13C12177.1°179.8°
N1C8C9H291.1°0.2°
C7N2C13C80.9°0.0°
C7N2C13H24180.0°179.9°
C7N2C13C12176.7°180.0°
N2C7C6H22141.7°24.9°
N2C7C6H2323.2°145.0°
C8C9C10H29180.0°179.9°
C9C8C13N2179.8°180.0°
C9C8C13C121.8°0.0°
C8C9C10C111.6°0.1°
C8C9C10H28178.4°180.0°
C13C8C9C100.3°0.1°
C8C13N2C12177.6°180.0°
C8C13C12C112.6°0.0°
C8C13N2H24179.1°180.0°
C8C13C12H26177.5°179.9°
C13C8C9H29179.8°180.0°
C9C10C11H28180.0°180.0°
C9C10C11C120.9°0.1°
C9C10C11H27179.1°180.0°
N2C13C12C11179.8°180.0°
N2C13C12H260.2°0.1°
C13C12C11C101.2°0.0°
C13C12C11H26180.0°179.9°
C12C13N2H243.3°0.0°
C13C12C11H27178.8°180.0°
C10C11C12H27180.0°180.0°
C10C11C12H26178.8°179.9°
C11C10C9H29178.4°180.0°
C12C11C10H28179.1°180.0°
H2COH459.6°60.0°
H2CC1H8161.6°65.0°
H3COH459.7°60.0°
H3CC1H879.1°55.0°
H9C2C14H1069.1°59.1°
H9C2C3H2058.9°57.8°
H9C2C3H2160.7°62.5°
H11C20C19H120.5°0.0°
H12C19C18H130.4°0.0°
H13C18C17H140.2°0.0°
H14C17C16H150.8°0.2°
H16C5C4H1854.3°59.2°
H16C5C4H19173.7°60.8°
H17C5C4H1865.2°179.2°
H17C5C4H1954.2°59.2°
H18C4C3H2053.3°177.8°
H18C4C3H2166.2°57.6°
H19C4C3H20172.8°57.7°
H19C4C3H2153.2°62.5°
H26C12C11H271.2°0.1°
H27C11C10H280.9°0.0°
H28C10C9H291.6°0.0°

222624

PDB entries from 2024-07-17

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