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RXE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
BR4C34sing1.89Å1.94Å
BR3C32sing1.89Å1.95Å
C34C32doub1.38Å1.39ÅAromatic
C34C26sing1.40Å1.41ÅAromatic
C32C30sing1.39Å1.40ÅAromatic
N25C26sing1.36Å1.36ÅAromatic
N25C24doub1.30Å1.33ÅAromatic
C26C27doub1.40Å1.37ÅAromatic
C30BR2sing1.89Å1.96Å
C30C28doub1.38Å1.41ÅAromatic
C24N23sing1.36Å1.33ÅAromatic
C27C28sing1.39Å1.44ÅAromatic
C27N23sing1.38Å1.37ÅAromatic
C28BR1sing1.89Å1.96Å
N23C22sing1.46Å1.46Å
C03C04doub1.38Å1.39ÅAromatic
C03C02sing1.38Å1.38ÅAromatic
C04C05sing1.38Å1.39ÅAromatic
C22C21sing1.53Å1.52Å
CL1C02sing1.74Å1.79Å
C20C21sing1.53Å1.53Å
C20C19sing1.53Å1.53Å
C02C07doub1.38Å1.39ÅAromatic
C05C09sing1.51Å1.53Å
C05C06doub1.38Å1.39ÅAromatic
N18C19sing1.46Å1.45Å
N18C16sing1.35Å1.45Å
C09C10sing1.53Å1.53Å
C10N11sing1.47Å1.45Å
C07C06sing1.38Å1.39ÅAromatic
C07CL2sing1.74Å1.78Å
N11C12sing1.35Å1.45Å
C15C16sing1.51Å1.53Å
C15C14sing1.53Å1.53Å
C16O17doub1.21Å1.18Å
C12C14sing1.51Å1.53Å
C12O13doub1.21Å1.19Å
C03H1sing1.08Å1.08Å
C04H2sing1.08Å1.08Å
C06H3sing1.08Å1.08Å
C09H4sing1.09Å1.10Å
C09H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C14H8sing1.09Å1.10Å
C14H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C19H12sing1.09Å1.10Å
C19H13sing1.09Å1.10Å
C20H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
C21H16sing1.09Å1.10Å
C21H17sing1.09Å1.10Å
C22H18sing1.09Å1.10Å
C22H19sing1.09Å1.10Å
C24H20sing1.08Å1.08Å
N11H21sing0.97Å1.00Å
N18H22sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
BR4C34C32120.2°120.1°
BR4C34C26119.4°120.1°
BR3C32C34118.6°119.7°
BR3C32C30120.7°119.8°
C32C34C26120.4°119.7°
C34C32C30120.7°120.5°
C34C26N25131.7°133.5°
C34C26C27120.0°119.5°
C32C30BR2118.5°119.8°
C32C30C28119.5°120.4°
C26N25C24107.5°109.6°
N25C26C27108.3°107.0°
N25C24N23109.9°110.1°
N25C24H20125.0°125.0°
C26C27C28120.1°120.0°
C26C27N23105.7°106.0°
BR2C30C28122.0°119.8°
C30C28C27119.3°119.8°
C30C28BR1119.3°120.1°
C24N23C27108.7°107.3°
C24N23C22124.5°126.4°
N23C24H20125.1°124.9°
C28C27N23134.2°134.0°
C27C28BR1121.4°120.1°
C27N23C22126.8°126.3°
N23C22C21109.2°109.5°
N23C22H18109.5°109.5°
N23C22H19109.5°109.5°
C04C03C02119.4°120.0°
C03C04C05120.3°120.0°
C04C03H1120.3°120.0°
C03C04H2119.9°120.0°
C03C02CL1120.3°120.0°
C03C02C07120.5°120.0°
C02C03H1120.3°120.0°
C04C05C09118.8°120.0°
C04C05C06120.5°120.0°
C05C04H2119.9°120.0°
C22C21C20110.3°109.5°
C22C21H16109.2°109.5°
C22C21H17109.3°109.4°
C21C22H18109.6°109.5°
C21C22H19109.5°109.4°
CL1C02C07119.2°120.0°
C21C20C19110.3°109.5°
C21C20H14109.2°109.5°
C21C20H15109.3°109.4°
C20C21H16109.3°109.5°
C20C21H17109.3°109.5°
C20C19N18111.3°109.5°
C20C19H12109.0°109.5°
C20C19H13109.0°109.5°
C19C20H14109.3°109.5°
C19C20H15109.2°109.5°
C02C07C06120.4°119.9°
C02C07CL2118.6°120.0°
C09C05C06120.7°120.0°
C05C09C10113.6°109.5°
C05C09H4108.4°109.5°
C05C09H5108.4°109.5°
C05C06C07119.0°120.0°
C05C06H3120.5°120.0°
C19N18C16117.7°120.0°
N18C19H12109.0°109.5°
N18C19H13109.0°109.5°
C19N18H22121.1°120.0°
N18C16C15120.9°120.1°
N18C16O17119.3°119.9°
C16N18H22121.1°119.9°
C09C10N11108.2°109.5°
C10C09H4108.4°109.4°
C10C09H5108.4°109.5°
C09C10H6109.8°109.5°
C09C10H7109.8°109.5°
C10N11C12121.1°120.0°
N11C10H6109.8°109.5°
N11C10H7109.8°109.5°
C10N11H21119.5°120.0°
C06C07CL2121.0°120.0°
C07C06H3120.5°120.0°
N11C12C14118.9°120.0°
N11C12O13121.2°120.0°
C12N11H21119.4°120.0°
C16C15C14113.6°109.5°
C15C16O17119.9°120.0°
C16C15H10108.5°109.5°
C16C15H11108.4°109.4°
C15C14C12113.6°109.5°
C15C14H8108.5°109.4°
C15C14H9108.4°109.5°
C14C15H10108.4°109.5°
C14C15H11108.5°109.5°
C14C12O13119.9°120.0°
C12C14H8108.4°109.5°
C12C14H9108.4°109.5°
H4C09H5109.5°109.5°
H6C10H7109.4°109.4°
H8C14H9109.4°109.5°
H10C15H11109.5°109.4°
H12C19H13109.5°109.5°
H14C20H15109.5°109.5°
H16C21H17109.4°109.5°
H18C22H19109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
BR4C34C32BR30.1°0.1°
BR4C34C32C26180.0°179.9°
BR4C34C32C30180.0°180.0°
BR4C34C26N250.1°0.7°
BR4C34C26C27180.0°180.0°
BR3C32C34C30180.0°179.9°
BR3C32C34C26179.9°180.0°
BR3C32C30BR20.1°0.0°
BR3C32C30C28179.8°180.0°
C32C34C26N25179.9°179.4°
C32C34C26C270.0°0.1°
C34C32C30BR2180.0°180.0°
C34C32C30C280.1°0.1°
C26C34C32C300.1°0.1°
C34C26N25C27179.9°179.4°
C34C26N25C24179.9°179.7°
C34C26C27C280.1°0.0°
C34C26C27N23179.6°179.9°
C32C30BR2C28179.9°180.0°
C32C30C28C270.2°0.0°
C32C30C28BR1179.9°180.0°
C26N25C24N230.2°0.1°
N25C26C27C28180.0°179.5°
N25C26C27N230.5°0.4°
C26N25C24H20179.8°179.8°
C24N25C26C270.2°0.3°
N25C24N23H20180.0°179.8°
N25C24N23C270.5°0.2°
N25C24N23C22179.8°179.8°
C26C27C28C300.2°0.0°
C26C27N23C240.6°0.3°
C26C27C28N23179.4°179.9°
C26C27C28BR1180.0°180.0°
C26C27N23C22179.9°179.6°
BR2C30C28C27179.9°180.0°
BR2C30C28BR10.1°0.0°
C30C28C27BR1179.9°180.0°
C30C28C27N23179.6°179.9°
C24N23C27C28179.9°179.5°
C24N23C27C22179.3°179.9°
C24N23C22C2151.3°95.0°
C24N23C22H1868.7°145.0°
C24N23C22H19171.3°25.0°
C28C27N23C220.6°0.5°
N23C27C28BR10.6°0.1°
C27N23C22C21127.9°85.1°
C27N23C22H18112.1°34.9°
C27N23C22H197.9°154.9°
C27N23C24H20179.5°180.0°
N23C22C21H18120.0°120.0°
N23C22C21H19120.0°120.0°
N23C22C21C2062.9°180.0°
N23C22C21H1657.3°60.0°
N23C22C21H17177.0°60.0°
N23C22H18H19120.1°120.0°
C22N23C24H200.1°0.1°
C04C03C02H1180.0°179.9°
C03C04C05H2180.0°180.0°
C04C03C02CL1179.9°179.7°
C04C03C02C070.2°0.0°
C03C04C05C09179.8°180.0°
C03C04C05C060.1°0.0°
C02C03C04C050.2°0.0°
C03C02CL1C07180.0°179.7°
C03C02C07C060.2°0.0°
C03C02C07CL2179.9°180.0°
C02C03C04H2179.9°180.0°
C04C05C09C06179.7°180.0°
C04C05C09C10128.5°90.0°
C04C05C06C070.1°0.0°
C05C04C03H1179.8°180.0°
C04C05C06H3179.9°179.9°
C04C05C09H4110.9°150.0°
C04C05C09H57.9°30.0°
C22C21C20H16120.1°120.0°
C22C21C20H17120.1°120.0°
C22C21C20C19134.8°180.0°
C22C21C20H1414.7°60.0°
C22C21C20H15105.1°60.0°
C22C21H16H17119.6°120.0°
C21C22H18H19120.1°120.0°
CL1C02C07C06179.9°179.7°
CL1C02C07CL20.0°0.3°
CL1C02C03H10.2°0.3°
C21C20C19H14120.1°120.0°
C21C20C19H15120.1°120.0°
C21C20C19N18174.7°180.0°
C21C20C19H1254.4°60.0°
C21C20C19H1365.0°60.0°
C21C20H14H15119.6°120.0°
C20C21H16H17119.6°120.0°
C20C21C22H18177.1°60.0°
C20C21C22H1957.1°60.0°
C20C19N18H12120.3°120.0°
C20C19N18H13120.3°120.0°
C20C19N18C16126.9°180.0°
C20C19H12H13119.2°120.0°
C19C20H14H15119.6°120.0°
C19C20C21H16105.1°60.0°
C19C20C21H1714.6°60.0°
C20C19N18H2253.2°0.1°
C02C07C06C050.1°0.0°
C02C07C06CL2179.9°180.0°
C07C02C03H1179.8°180.0°
C02C07C06H3179.9°179.9°
C05C09C10H4120.6°120.0°
C05C09C10H5120.6°120.0°
C05C09C10N11173.9°180.0°
C09C05C06C07179.8°180.0°
C09C05C04H20.2°0.0°
C09C05C06H30.2°0.1°
C05C09H4H5118.1°120.0°
C05C09C10H654.1°60.0°
C05C09C10H766.3°60.0°
C06C05C09C1051.8°90.0°
C05C06C07H3180.0°179.9°
C05C06C07CL2180.0°180.0°
C06C05C04H2179.9°180.0°
C06C05C09H468.8°30.0°
C06C05C09H5172.4°150.0°
C19N18C16H22180.0°179.9°
C19N18C16C15178.6°180.0°
C19N18C16O170.2°0.1°
N18C19H12H13119.2°120.0°
N18C19C20H1465.2°60.0°
N18C19C20H1554.6°60.0°
N18C16C15O17178.4°180.0°
N18C16C15C14114.7°180.0°
N18C16C15H10124.7°60.0°
N18C16C15H115.9°59.9°
C16N18C19H12112.9°60.0°
C16N18C19H136.6°60.0°
C09C10N11H6119.8°120.0°
C09C10N11H7119.8°120.1°
C09C10N11C1270.4°180.0°
C10C09H4H5118.1°120.0°
C09C10H6H7120.6°120.0°
C09C10N11H21109.6°0.1°
C10N11C12H21180.0°179.9°
C10N11C12C14180.0°180.0°
C10N11C12O130.2°0.1°
N11C10C09H465.5°60.0°
N11C10C09H553.3°60.0°
N11C10H6H7120.6°120.0°
CL2C07C06H30.0°0.1°
N11C12C14C159.4°180.0°
N11C12C14O13179.8°180.0°
C12N11C10H6169.7°60.0°
C12N11C10H749.4°59.9°
N11C12C14H8111.2°60.0°
N11C12C14H9130.0°59.9°
C16C15C14H10120.6°120.0°
C16C15C14H11120.6°120.0°
C16C15C14C12166.1°180.0°
C16C15C14H873.3°60.0°
C16C15C14H945.5°60.0°
C16C15H10H11118.1°119.9°
C15C16N18H221.3°0.1°
C14C15C16O1763.7°0.0°
C15C14C12H8120.6°120.0°
C15C14C12H9120.6°120.1°
C15C14C12O13170.3°0.1°
C15C14H8H9118.1°120.0°
C14C15H10H11118.1°120.0°
O17C16C15H1056.9°120.1°
O17C16C15H11175.7°120.0°
O17C16N18H22179.7°180.0°
C12C14H8H9118.1°120.0°
C12C14C15H1045.5°60.0°
C12C14C15H1173.3°60.0°
C14C12N11H210.0°0.1°
O13C12C14H869.0°120.0°
O13C12C14H949.7°120.0°
O13C12N11H21179.8°180.0°
H1C03C04H20.2°0.0°
H4C09C10H6174.7°180.0°
H4C09C10H754.3°60.0°
H5C09C10H666.5°60.0°
H5C09C10H7173.1°180.0°
H6C10N11H2110.2°120.1°
H7C10N11H21130.6°120.0°
H8C14C15H10166.1°180.0°
H8C14C15H1147.4°60.0°
H9C14C15H1075.1°60.0°
H9C14C15H11166.1°NaN°
H12C19C20H14174.5°60.0°
H12C19C20H1565.7°179.9°
H12C19N18H2267.1°120.0°
H13C19C20H1455.1°180.0°
H13C19C20H15174.8°60.0°
H13C19N18H22173.4°120.0°
H14C20C21H16134.8°NaN°
H14C20C21H17105.5°60.0°
H15C20C21H1615.0°60.0°
H15C20C21H17134.8°180.0°
H16C21C22H1862.7°180.0°
H16C21C22H19177.2°60.0°
H17C21C22H1857.0°60.0°
H17C21C22H1963.1°NaN°

227344

PDB entries from 2024-11-13

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