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IA5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
BR1C25sing1.89Å1.93Å
C25C27doub1.38Å1.39ÅAromatic
C25C24sing1.38Å1.38ÅAromatic
C27C28sing1.38Å1.38ÅAromatic
C24C23doub1.38Å1.37ÅAromatic
C28C29doub1.38Å1.39ÅAromatic
C23C29sing1.38Å1.38ÅAromatic
C23C22sing1.51Å1.53Å
C22N21sing1.47Å1.48Å
C20N21sing1.47Å1.47Å
C20C19sing1.53Å1.52Å
N21C30sing1.47Å1.44Å
C19C10sing1.53Å1.45Å
C30C31sing1.53Å1.50Å
O9C8doub1.21Å1.19Å
C8C10sing1.51Å1.54Å
C8C7sing1.42Å1.52Å
C10C31sing1.53Å1.47Å
C10C11sing1.53Å1.64Å
O6C5sing1.35Å1.40Å
C7C5doub1.35Å1.31Å
C5C3sing1.48Å1.51Å
C11C12sing1.51Å1.54Å
C3O2sing1.35Å1.36Å
C3O4doub1.21Å1.18Å
O2C1sing1.45Å1.35Å
C12C18doub1.38Å1.39ÅAromatic
C12C13sing1.38Å1.39ÅAromatic
C18C17sing1.38Å1.40ÅAromatic
C13C14doub1.38Å1.39ÅAromatic
C17C15doub1.38Å1.39ÅAromatic
C14C15sing1.38Å1.39ÅAromatic
C15CL1sing1.74Å1.79Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C7H4sing1.08Å1.08Å
C11H5sing1.09Å1.10Å
C11H6sing1.09Å1.10Å
C13H7sing1.08Å1.08Å
C14H8sing1.08Å1.08Å
C17H9sing1.08Å1.08Å
C18H10sing1.08Å1.08Å
C19H11sing1.09Å1.10Å
C19H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
C20H14sing1.09Å1.10Å
C22H15sing1.09Å1.10Å
C22H16sing1.09Å1.10Å
C24H17sing1.08Å1.08Å
C27H18sing1.08Å1.08Å
C28H19sing1.08Å1.08Å
C29H20sing1.08Å1.08Å
C30H21sing1.09Å1.10Å
C30H22sing1.09Å1.10Å
C31H23sing1.09Å1.10Å
C31H24sing1.09Å1.10Å
O6H26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
BR1C25C27119.9°120.0°
BR1C25C24118.9°120.0°
C27C25C24121.2°119.9°
C25C27C28118.6°120.0°
C25C27H18120.7°120.0°
C25C24C23119.4°120.0°
C25C24H17120.3°120.0°
C27C28C29120.5°119.9°
C28C27H18120.7°120.0°
C27C28H19119.7°120.0°
C24C23C29120.5°120.0°
C24C23C22120.7°120.0°
C23C24H17120.3°120.0°
C28C29C23119.8°120.1°
C29C28H19119.8°120.0°
C28C29H20120.1°120.0°
C29C23C22118.8°120.0°
C23C29H20120.1°120.0°
C23C22N21104.9°109.5°
C23C22H15110.6°109.5°
C23C22H16110.6°109.4°
C22N21C20109.8°111.0°
C22N21C30107.3°111.0°
N21C22H15110.6°109.5°
N21C22H16110.6°109.5°
N21C20C19113.5°109.5°
C20N21C30114.5°111.2°
N21C20H13108.5°109.5°
N21C20H14108.4°109.5°
C20C19C10111.9°109.3°
C20C19H11108.9°109.5°
C20C19H12108.9°109.5°
C19C20H13108.4°109.5°
C19C20H14108.5°109.4°
N21C30C31114.0°109.5°
N21C30H21108.3°109.5°
N21C30H22108.3°109.4°
C19C10C8110.1°109.5°
C19C10C31111.3°109.1°
C19C10C11110.7°109.5°
C10C19H11108.9°109.5°
C10C19H12108.9°109.5°
C30C31C10114.2°109.3°
C31C30H21108.4°109.5°
C31C30H22108.3°109.4°
C30C31H23108.3°109.5°
C30C31H24108.3°109.5°
O9C8C10122.6°119.9°
O9C8C7120.5°120.0°
C10C8C7117.0°120.1°
C8C10C31110.7°109.6°
C8C10C11107.2°109.5°
C8C7C5123.8°120.0°
C8C7H4118.1°120.0°
C31C10C11106.7°109.5°
C10C31H23108.3°109.5°
C10C31H24108.3°109.5°
C10C11C12112.2°109.5°
C10C11H5108.8°109.5°
C10C11H6108.8°109.5°
O6C5C7126.4°120.0°
O6C5C3118.3°119.9°
C5O6H26109.5°113.9°
C7C5C3115.3°120.0°
C5C7H4118.1°120.0°
C5C3O2116.5°120.1°
C5C3O4123.4°120.0°
C11C12C18120.0°120.0°
C11C12C13120.8°120.0°
C12C11H5108.8°109.5°
C12C11H6108.8°109.5°
O2C3O4120.0°120.0°
C3O2C1102.8°117.0°
O2C1H1109.5°109.5°
O2C1H2109.4°109.5°
O2C1H3109.4°109.4°
C18C12C13119.2°120.0°
C12C18C17120.3°120.0°
C12C18H10119.9°120.0°
C12C13C14120.9°120.0°
C12C13H7119.5°120.0°
C18C17C15119.9°120.0°
C18C17H9120.0°120.0°
C17C18H10119.8°120.0°
C13C14C15119.4°120.0°
C14C13H7119.6°120.0°
C13C14H8120.3°120.0°
C17C15C14120.3°120.0°
C17C15CL1119.5°120.0°
C15C17H9120.0°120.0°
C14C15CL1120.2°120.0°
C15C14H8120.3°120.0°
H1C1H2109.5°109.5°
H1C1H3109.5°109.5°
H2C1H3109.5°109.5°
H5C11H6109.5°109.4°
H11C19H12109.5°109.5°
H13C20H14109.5°109.4°
H15C22H16109.5°109.5°
H21C30H22109.5°109.5°
H23C31H24109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
BR1C25C27C24178.5°180.0°
BR1C25C27C28179.6°179.9°
BR1C25C24C23179.7°180.0°
BR1C25C24H170.3°0.0°
BR1C25C27H180.4°0.1°
C25C27C28H18180.0°179.9°
C27C25C24C231.8°0.0°
C25C27C28C290.4°0.1°
C27C25C24H17178.2°180.0°
C25C27C28H19179.6°180.0°
C24C25C27C281.1°0.1°
C25C24C23H17180.0°180.0°
C25C24C23C290.8°0.1°
C25C24C23C22179.5°179.7°
C24C25C27H18178.8°180.0°
C27C28C29H19180.0°179.9°
C27C28C29C231.3°0.0°
C27C28C29H20178.7°179.7°
C24C23C29C280.7°0.0°
C24C23C29C22178.7°179.8°
C24C23C22N21137.8°89.8°
C24C23C22H15102.9°30.3°
C24C23C22H1618.6°150.2°
C24C23C29H20179.3°179.8°
C28C29C23H20180.0°179.7°
C28C29C23C22178.0°179.7°
C29C28C27H18179.6°180.0°
C29C23C22N2140.8°90.0°
C29C23C22H1578.5°149.9°
C29C23C22H16160.1°30.0°
C29C23C24H17179.1°180.0°
C23C29C28H19178.7°180.0°
C23C22N21H15119.3°120.0°
C23C22N21H16119.3°120.0°
C23C22N21C2076.9°170.0°
C23C22N21C30158.1°65.8°
C23C22H15H16122.1°119.9°
C22C23C24H170.5°0.2°
C22C23C29H202.0°0.0°
C22N21C20C30120.8°124.1°
C22N21C20C19167.3°174.2°
C22N21C30C31165.8°174.1°
C22N21C20H1346.7°54.1°
C22N21C20H1472.2°65.9°
N21C22H15H16122.1°120.1°
C22N21C30H2173.5°65.8°
C22N21C30H2245.1°54.2°
N21C20C19H13120.6°120.1°
N21C20C19H14120.6°120.0°
N21C20C19C1051.8°59.1°
C20N21C30C3143.6°61.8°
N21C20C19H11172.2°60.8°
N21C20C19H1268.5°179.1°
N21C20H13H14118.2°120.0°
C20N21C22H15163.8°70.0°
C20N21C22H1642.4°50.0°
C20N21C30H21164.4°58.3°
C20N21C30H2277.0°178.3°
C19C20N21C3046.5°61.7°
C20C19C10H11120.3°120.0°
C20C19C10H12120.3°120.0°
C20C19C10C869.2°62.3°
C20C19C10C3153.9°57.7°
C20C19C10C11172.5°177.6°
C20C19H11H12118.9°120.1°
C19C20H13H14118.2°119.9°
N21C30C31H21120.7°120.0°
N21C30C31H22120.7°120.0°
N21C30C31C1046.8°59.2°
C30N21C20H1374.1°178.2°
C30N21C20H14167.1°58.3°
C30N21C22H1538.8°54.2°
C30N21C22H1682.6°174.2°
N21C30H21H22117.9°120.0°
N21C30C31H2374.0°179.1°
N21C30C31H24167.5°60.7°
C19C10C31C3052.0°57.7°
C19C10C8O934.8°125.2°
C19C10C8C31123.5°119.7°
C19C10C8C11120.5°120.1°
C19C10C8C7147.2°54.8°
C19C10C31C11120.9°119.9°
C19C10C11C12179.0°175.2°
C19C10C11H560.7°55.2°
C19C10C11H658.5°64.8°
C10C19H11H12118.9°120.1°
C10C19C20H1368.8°179.2°
C10C19C20H14172.4°60.9°
C19C10C31H2368.7°177.6°
C19C10C31H24172.7°62.3°
C30C31C10C870.8°62.2°
C30C31C10H23120.7°119.9°
C30C31C10H24120.7°120.0°
C30C31C10C11173.0°177.7°
C31C30H21H22117.9°120.0°
C30C31H23H24117.8°120.1°
O9C8C10C7178.0°180.0°
O9C8C10C31158.3°5.5°
O9C8C10C1185.7°114.7°
O9C8C7C514.6°6.0°
O9C8C7H4165.4°174.0°
C8C10C31C11116.3°120.2°
C10C8C7C5163.5°174.0°
C8C10C11C1260.9°55.1°
C10C8C7H416.6°6.0°
C8C10C11H559.5°64.9°
C8C10C11H6178.7°175.1°
C8C10C19H1151.2°177.7°
C8C10C19H12170.5°57.7°
C8C10C31H23168.5°57.7°
C8C10C31H2449.9°177.8°
C7C8C10C3123.7°174.5°
C7C8C10C1192.3°65.4°
C8C7C5O60.8°5.4°
C8C7C5H4180.0°180.0°
C8C7C5C3178.8°174.6°
C31C10C11C1257.7°65.1°
C31C10C11H5178.1°174.9°
C31C10C11H662.7°54.9°
C31C10C19H11174.3°62.3°
C31C10C19H1266.4°177.7°
C10C31C30H21167.4°60.8°
C10C31C30H2273.9°179.2°
C10C31H23H24117.8°120.1°
C10C11C12H5120.4°120.1°
C10C11C12H6120.4°120.0°
C10C11C12C1891.1°94.8°
C10C11C12C1390.7°84.9°
C10C11H5H6118.8°120.0°
C11C10C19H1167.2°57.6°
C11C10C19H1252.1°62.4°
C11C10C31H2352.2°62.5°
C11C10C31H2466.3°57.6°
O6C5C7C3179.6°180.0°
O6C5C3O27.1°0.1°
O6C5C3O4169.3°180.0°
O6C5C7H4179.2°174.6°
C7C5C3O2173.2°179.9°
C7C5C3O410.4°0.0°
C7C5O6H264.8°5.8°
C5C3O2O4176.6°179.9°
C5C3O2C187.6°180.0°
C3C5C7H41.2°5.4°
C3C5O6H26175.6°174.2°
C11C12C18C13178.2°179.8°
C11C12C18C17177.0°179.7°
C11C12C13C14178.4°180.0°
C12C11H5H6118.8°120.0°
C11C12C13H71.5°0.0°
C11C12C18H102.9°0.0°
C3O2C1H1180.0°180.0°
C3O2C1H260.0°59.9°
C3O2C1H360.0°60.0°
O4C3O2C188.9°0.1°
O2C1H1H2120.0°120.0°
O2C1H1H3120.0°120.0°
O2C1H2H3120.0°120.0°
C12C18C17H10180.0°179.8°
C18C12C13C140.3°0.2°
C12C18C17C151.4°0.5°
C18C12C11H529.3°25.2°
C18C12C11H6148.5°145.1°
C18C12C13H7179.7°179.8°
C12C18C17H9178.6°179.7°
C13C12C18C171.1°0.5°
C12C13C14H7180.0°180.0°
C12C13C14C151.4°0.0°
C13C12C11H5148.9°155.0°
C13C12C11H629.7°35.1°
C12C13C14H8178.6°180.0°
C13C12C18H10178.9°179.7°
C18C17C15H9180.0°179.8°
C18C17C15C140.3°0.2°
C18C17C15CL1178.6°179.8°
C13C14C15C171.1°0.1°
C13C14C15H8180.0°180.0°
C13C14C15CL1180.0°180.0°
C17C15C14CL1178.9°180.0°
C17C15C14H8178.9°180.0°
C15C17C18H10178.6°179.8°
C15C14C13H7178.6°180.0°
C14C15C17H9179.7°180.0°
CL1C15C14H80.0°0.0°
CL1C15C17H91.4°0.0°
H1C1H2H3120.0°120.0°
H7C13C14H81.4°0.0°
H9C17C18H101.4°0.1°
H11C19C20H1351.6°59.2°
H11C19C20H1467.2°179.2°
H12C19C20H13170.9°60.8°
H12C19C20H1452.1°59.1°
H18C27C28H190.4°0.1°
H19C28C29H201.3°0.2°
H21C30C31H2346.7°59.1°
H21C30C31H2471.9°179.2°
H22C30C31H23165.4°60.9°
H22C30C31H2446.8°59.2°

246905

PDB entries from 2025-12-31

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