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JQX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C29O27sing1.43Å1.43Å
C1C6doub1.38Å1.39ÅAromatic
C1C2sing1.39Å1.39ÅAromatic
O27C2sing1.36Å1.37Å
C6C5sing1.38Å1.38ÅAromatic
C2C3doub1.39Å1.38ÅAromatic
C5C4doub1.40Å1.40ÅAromatic
C3C4sing1.40Å1.40ÅAromatic
C3BR28sing1.89Å1.89Å
C13C14sing1.54Å1.53Å
C13N12sing1.47Å1.47Å
C14N9sing1.47Å1.47Å
C4C7sing1.48Å1.50Å
N12C7sing1.35Å1.34Å
N12C11sing1.47Å1.46Å
N9C15sing1.47Å1.47Å
N9C10sing1.47Å1.49Å
C7O8doub1.22Å1.22Å
C15C16sing1.53Å1.53Å
C21C22doub1.38Å1.38ÅAromatic
C21C19sing1.38Å1.38ÅAromatic
C22C23sing1.38Å1.37ÅAromatic
C11C10sing1.53Å1.52Å
C10C18sing1.53Å1.53Å
C16C19sing1.51Å1.51Å
C16C17sing1.52Å1.53Å
C19C25doub1.38Å1.39ÅAromatic
C23CL26sing1.74Å1.73Å
C23C24doub1.38Å1.37ÅAromatic
C25C24sing1.38Å1.38ÅAromatic
C18C17sing1.53Å1.53Å
C10H1sing1.09Å1.10Å
C11H2sing1.09Å1.10Å
C11H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C13H5sing1.09Å1.10Å
C15H6sing1.09Å1.10Å
C15H7sing1.09Å1.10Å
C16H8sing1.09Å1.10Å
C17H9sing1.09Å1.10Å
C17H10sing1.09Å1.10Å
C18H11sing1.09Å1.10Å
C18H12sing1.09Å1.10Å
C21H13sing1.08Å1.08Å
C22H14sing1.08Å1.08Å
C24H15sing1.08Å1.08Å
C25H16sing1.08Å1.08Å
C1H17sing1.08Å1.08Å
C5H18sing1.08Å1.08Å
C6H19sing1.08Å1.08Å
C14H21sing1.09Å1.10Å
C14H22sing1.09Å1.10Å
C29H23sing1.09Å1.10Å
C29H24sing1.09Å1.10Å
C29H25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C29O27C2117.9°117.0°
O27C29H23109.5°109.5°
O27C29H24109.5°109.5°
O27C29H25109.5°109.5°
C6C1C2120.2°120.3°
C1C6C5120.9°120.3°
C6C1H17119.9°119.9°
C1C6H19119.5°119.9°
C1C2O27124.9°120.0°
C1C2C3119.0°120.0°
C2C1H17119.9°119.8°
O27C2C3116.2°120.0°
C6C5C4119.6°120.0°
C6C5H18120.2°120.0°
C5C6H19119.6°119.8°
C2C3C4121.7°119.8°
C2C3BR28118.1°120.1°
C5C4C3118.7°119.7°
C5C4C7119.2°120.1°
C4C5H18120.2°120.0°
C4C3BR28120.2°120.1°
C3C4C7121.6°120.1°
C14C13N12109.4°108.0°
C13C14N9111.2°109.8°
C14C13H4109.5°109.7°
C14C13H5109.5°109.8°
C13C14H21109.0°109.4°
C13C14H22109.1°109.4°
C13N12C7124.7°121.2°
C13N12C11114.3°117.7°
N12C13H4109.5°109.9°
N12C13H5109.5°109.7°
C14N9C15109.4°109.0°
C14N9C10112.9°111.6°
N9C14H21109.0°109.4°
N9C14H22109.0°109.5°
C4C7N12118.1°120.0°
C4C7O8119.5°120.0°
C7N12C11120.9°121.1°
N12C7O8122.2°120.0°
N12C11C10109.3°109.3°
N12C11H2109.5°109.5°
N12C11H3109.5°109.5°
C15N9C10111.6°111.6°
N9C15C16110.8°110.3°
N9C15H6109.1°109.2°
N9C15H7109.2°109.4°
N9C10C11109.6°110.2°
N9C10C18111.1°110.1°
N9C10H1109.2°109.6°
C15C16C19110.8°109.6°
C15C16C17110.0°108.9°
C16C15H6109.1°109.3°
C16C15H7109.1°109.3°
C15C16H8107.5°109.5°
C22C21C19121.1°120.0°
C21C22C23119.1°120.0°
C22C21H13119.4°120.0°
C21C22H14120.5°120.0°
C21C19C16120.1°120.0°
C21C19C25118.4°120.0°
C19C21H13119.5°120.0°
C22C23CL26119.2°120.0°
C22C23C24121.4°119.9°
C23C22H14120.5°120.0°
C11C10C18109.4°107.8°
C11C10H1108.8°109.5°
C10C11H2109.5°109.5°
C10C11H3109.5°109.6°
C10C18C17110.0°110.0°
C18C10H1108.7°109.5°
C10C18H11109.3°109.4°
C10C18H12109.3°109.3°
C19C16C17113.3°109.6°
C16C19C25121.4°120.0°
C19C16H8107.7°109.6°
C16C17C18110.6°109.0°
C17C16H8107.4°109.6°
C16C17H9109.2°109.6°
C16C17H10109.2°109.6°
C19C25C24121.0°120.0°
C19C25H16119.5°120.0°
CL26C23C24119.4°120.0°
C23C24C25118.9°120.0°
C23C24H15120.5°120.0°
C25C24H15120.5°120.0°
C24C25H16119.5°120.0°
C18C17H9109.2°109.7°
C18C17H10109.2°109.3°
C17C18H11109.4°109.4°
C17C18H12109.3°109.4°
H2C11H3109.4°109.4°
H4C13H5109.5°109.8°
H6C15H7109.5°109.4°
H9C17H10109.5°109.7°
H11C18H12109.5°109.3°
H21C14H22109.4°109.3°
H23C29H24109.5°109.5°
H23C29H25109.5°109.5°
H24C29H25109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C29O27C2C19.5°0.0°
C29O27C2C3171.3°180.0°
O27C29H23H24120.0°120.0°
O27C29H23H25120.0°120.1°
O27C29H24H25120.0°120.0°
C6C1C2H17180.0°179.8°
C6C1C2O27179.2°180.0°
C1C6C5H19180.0°180.0°
C6C1C2C31.6°0.0°
C1C6C5C40.6°0.0°
C1C6C5H18179.4°180.0°
C1C2O27C3179.2°180.0°
C2C1C6C51.4°0.0°
C1C2C3C41.2°0.1°
C1C2C3BR28177.6°180.0°
C2C1C6H19178.6°180.0°
O27C2C3C4179.6°179.9°
O27C2C3BR281.7°0.0°
O27C2C1H170.9°0.3°
C2O27C29H23180.0°60.0°
C2O27C29H2460.0°60.0°
C2O27C29H2560.0°180.0°
C6C5C4H18180.0°180.0°
C6C5C4C30.1°0.0°
C6C5C4C7171.8°180.0°
C5C6C1H17178.6°179.8°
C2C3C4C50.4°0.0°
C2C3C4BR28178.7°179.9°
C2C3C4C7171.3°180.0°
C3C2C1H17178.3°179.7°
C5C4C3C7171.7°180.0°
C5C4C3BR28178.3°179.9°
C5C4C7N1291.6°53.3°
C5C4C7O884.0°126.7°
C4C5C6H19179.4°180.0°
C3C4C7N1296.8°126.7°
C3C4C7O887.7°53.3°
C3C4C5H18179.9°180.0°
BR28C3C4C710.0°0.1°
C14C13N12H4120.0°119.7°
C14C13N12H5120.0°119.6°
C13C14N9H21120.3°120.1°
C13C14N9H22120.3°120.2°
C14C13N12C7119.6°127.5°
C14C13N12C1155.8°52.7°
C13C14N9C15179.7°174.4°
C13C14N9C1054.8°62.0°
C14C13H4H5120.1°120.7°
C13C14H21H22119.2°119.8°
N12C13C14N952.2°55.0°
C13N12C7C410.4°176.0°
C13N12C7C11175.2°179.8°
C13N12C7O8174.1°4.1°
C13N12C11C1058.5°51.5°
C13N12C11H2178.5°68.5°
C13N12C11H361.5°171.5°
N12C13H4H5120.0°120.7°
N12C13C14H21172.5°175.0°
N12C13C14H2268.1°65.2°
C14N9C15C10125.7°123.7°
C14N9C15C16175.6°176.0°
C14N9C10C1156.6°60.2°
C14N9C10C18177.6°179.0°
C14N9C10H162.4°60.4°
N9C14C13H4172.2°64.7°
N9C14C13H567.8°174.5°
C14N9C15H655.4°63.9°
C14N9C15H764.2°55.7°
N9C14H21H22119.2°119.9°
C4C7N12O8175.5°180.0°
C4C7N12C11174.4°4.2°
C7C4C5H188.2°0.0°
C7N12C11C10117.1°128.7°
C7N12C11H22.9°111.3°
C7N12C11H3122.9°8.7°
C7N12C13H40.4°112.9°
C7N12C13H5120.4°7.9°
N12C11C10N956.4°52.1°
C11N12C7O81.0°175.8°
N12C11C10H2120.0°119.9°
N12C11C10H3120.0°120.0°
N12C11C10C18178.4°172.4°
N12C11C10H162.9°68.5°
N12C11H2H3120.1°120.1°
C11N12C13H4175.8°67.0°
C11N12C13H564.1°172.3°
N9C15C16H6120.2°120.0°
N9C15C16H7120.2°120.3°
C15N9C10C11179.6°177.6°
C15N9C10C1858.6°58.8°
N9C15C16C19177.1°179.5°
N9C15C16C1756.9°59.7°
C15N9C10H161.3°61.8°
N9C15H6H7119.4°119.6°
N9C15C16H859.7°60.2°
C15N9C14H2160.0°54.3°
C15N9C14H2259.4°65.5°
C10N9C15C1658.7°60.4°
N9C10C11C18122.0°120.2°
N9C10C11H1119.3°120.7°
N9C10C18H1120.2°120.6°
N9C10C18C1756.4°57.4°
N9C10C11H2176.4°67.8°
N9C10C11H363.6°172.2°
C10N9C15H6178.9°59.8°
C10N9C15H761.5°179.4°
N9C10C18H11176.5°177.6°
N9C10C18H1263.7°62.8°
C10N9C14H21175.1°178.0°
C10N9C14H2265.5°58.2°
C15C16C19C21103.9°60.3°
C15C16C19C17124.1°119.4°
C15C16C19H8117.2°120.3°
C15C16C17H8116.7°119.8°
C15C16C19C2576.0°120.0°
C15C16C17C1855.5°58.5°
C16C15H6H7119.4°119.7°
C15C16C17H9175.6°178.6°
C15C16C17H1064.7°61.0°
C22C21C19H13180.0°179.9°
C21C22C23H14180.0°180.0°
C22C21C19C16179.3°180.0°
C22C21C19C250.6°0.3°
C21C22C23CL26179.6°180.0°
C21C22C23C240.7°0.0°
C19C21C22C230.5°0.1°
C21C19C16C25179.9°179.7°
C21C19C16C17132.0°59.0°
C21C19C25C241.1°0.6°
C21C19C16H813.4°179.4°
C19C21C22H14179.5°180.0°
C21C19C25H16178.9°179.7°
C22C23CL26C24179.7°180.0°
C22C23C24C251.1°0.3°
C23C22C21H13179.6°180.0°
C22C23C24H15178.8°180.0°
C11C10C18H1118.7°119.1°
C11C10C18C17177.5°177.7°
C10C11H2H3120.0°120.1°
C11C10C18H1162.4°62.1°
C11C10C18H1257.4°57.5°
C10C18C17C1655.3°57.7°
C10C18C17H11120.1°120.2°
C10C18C17H12120.1°120.1°
C18C10C11H261.6°52.4°
C18C10C11H358.4°67.6°
C10C18C17H9175.4°177.7°
C10C18C17H1064.9°62.0°
C10C18H11H12119.7°119.7°
C19C16C17H8118.7°120.4°
C16C19C25C24178.9°179.7°
C19C16C17C18179.9°178.4°
C19C16C15H656.9°59.5°
C19C16C15H762.7°60.2°
C19C16C17H959.8°61.6°
C19C16C17H1059.9°58.8°
C16C19C21H130.7°0.1°
C16C19C25H161.1°0.0°
C17C16C19C2548.1°120.6°
C16C17C18H9120.2°120.0°
C16C17C18H10120.2°119.8°
C17C16C15H6177.1°60.3°
C17C16C15H763.3°180.0°
C16C17H9H10119.5°120.4°
C16C17C18H11175.3°177.9°
C16C17C18H1264.8°62.4°
C19C25C24C231.3°0.6°
C19C25C24H16180.0°179.7°
C25C19C16H8166.7°0.2°
C25C19C21H13179.4°179.7°
C19C25C24H15178.7°179.7°
CL26C23C24C25179.2°179.7°
CL26C23C22H140.4°0.0°
CL26C23C24H150.8°0.0°
C23C24C25H15180.0°179.7°
C24C23C22H14179.3°180.0°
C23C24C25H16178.7°179.7°
C17C18C10H163.9°63.2°
C18C17C16H861.2°61.3°
C18C17H9H10119.5°120.0°
C17C18H11H12119.8°119.8°
H1C10C11H257.1°171.5°
H1C10C11H3177.1°51.5°
H1C10C18H1156.3°57.0°
H1C10C18H12176.1°176.6°
H4C13C14H2167.5°55.3°
H4C13C14H2251.9°175.1°
H5C13C14H2152.5°65.5°
H5C13C14H22172.0°54.3°
H6C15C16H860.5°179.8°
H7C15C16H8179.9°60.1°
H8C16C17H959.0°58.8°
H8C16C17H10178.6°179.2°
H9C17C18H1164.5°62.1°
H9C17C18H1255.4°57.6°
H10C17C18H1155.2°58.1°
H10C17C18H12175.0°177.8°
H13C21C22H140.4°0.0°
H15C24C25H161.3°0.0°
H17C1C6H191.4°0.2°
H18C5C6H190.6°0.0°
H23C29H24H25120.0°120.0°

222415

PDB entries from 2024-07-10

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