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JXM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.38Å1.41ÅAromatic
C1C3doub1.38Å1.42ÅAromatic
C2C4doub1.38Å1.42ÅAromatic
C3C5sing1.38Å1.42ÅAromatic
C4C6sing1.38Å1.44ÅAromatic
C5C6doub1.38Å1.42ÅAromatic
C6C19sing1.51Å1.52Å
C7C8doub1.39Å1.38Å
C7C9sing1.40Å1.50Å
C8N21sing1.34Å1.39Å
C8N22sing1.38Å1.43Å
C9N23sing1.35Å1.41Å
C9O25doub1.22Å1.22Å
C10N21doub1.32Å1.31Å
C10N23sing1.36Å1.42Å
C10N24sing1.37Å1.41Å
C11C12sing1.52Å1.53Å
C11C17sing1.52Å1.54Å
C12N23sing1.46Å1.48Å
C13C15sing1.53Å1.52Å
C13N22sing1.47Å1.51Å
C14C16sing1.53Å1.53Å
C14N22sing1.47Å1.49Å
C15O26sing1.43Å1.42Å
C16O26sing1.43Å1.43Å
C17C20sing1.53Å1.52Å
C17N24sing1.46Å1.48Å
C18C19sing1.53Å1.53Å
C18N24sing1.47Å1.48Å
C19O27sing1.43Å1.42Å
C20F28sing1.40Å1.34Å
C20F29sing1.40Å1.36Å
C20F30sing1.40Å1.36Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C19H19sing1.09Å1.10Å
C7H7sing1.08Å1.08Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
O27H27sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C3120.3°120.0°
C1C2C4119.2°120.0°
C2C1H1119.8°120.0°
C1C2H2120.4°120.0°
C1C3C5120.8°120.0°
C3C1H1119.9°120.0°
C1C3H3119.6°120.1°
C2C4C6121.2°120.0°
C4C2H2120.4°120.0°
C2C4H4119.4°120.0°
C3C5C6119.7°120.0°
C5C3H3119.6°120.0°
C3C5H5120.1°120.0°
C4C6C5118.7°120.0°
C4C6C19122.1°120.0°
C6C4H4119.4°120.0°
C5C6C19119.2°120.0°
C6C5H5120.2°120.0°
C6C19C18111.1°109.5°
C6C19O27109.0°109.5°
C6C19H19108.1°109.5°
C8C7C9120.0°118.6°
C7C8N21119.1°119.5°
C7C8N22123.6°120.3°
C8C7H7120.0°120.7°
C7C9N23115.6°119.3°
C7C9O25119.6°120.3°
C9C7H7120.0°120.7°
N21C8N22117.2°120.2°
C8N21C10124.2°121.7°
C8N22C13118.7°121.0°
C8N22C14122.0°120.9°
N23C9O25124.8°120.4°
C9N23C10121.2°119.7°
C9N23C12118.1°118.2°
N21C10N23119.7°121.0°
N21C10N24120.2°118.1°
N23C10N24120.1°120.8°
C10N23C12120.6°122.0°
C10N24C17122.1°121.7°
C10N24C18121.3°119.2°
C12C11C17110.5°112.1°
C11C12N23111.8°113.0°
C12C11H111109.2°109.0°
C12C11H112109.2°108.9°
C11C12H121108.9°108.7°
C11C12H122108.9°108.7°
C11C17C20112.1°109.1°
C11C17N24110.2°111.0°
C17C11H111109.2°109.0°
C17C11H112109.2°108.9°
C11C17H17108.2°109.1°
N23C12H121108.9°108.8°
N23C12H122108.9°108.8°
C15C13N22110.7°108.4°
C13C15O26107.3°109.2°
C15C13H131109.2°109.7°
C15C13H132109.2°109.7°
C13C15H151110.0°109.5°
C13C15H152110.0°109.5°
C13N22C14114.6°118.0°
N22C13H131109.2°109.7°
N22C13H132109.2°109.7°
C16C14N22111.5°108.4°
C14C16O26110.0°109.2°
C16C14H141109.0°109.7°
C16C14H142108.9°109.7°
C14C16H161109.3°109.5°
C14C16H162109.3°109.5°
N22C14H141108.9°109.7°
N22C14H142109.0°109.6°
C15O26C16113.0°114.2°
O26C15H151110.0°109.6°
O26C15H152110.0°109.5°
O26C16H161109.3°109.5°
O26C16H162109.4°109.5°
C20C17N24108.7°109.2°
C17C20F28109.4°109.5°
C17C20F29113.9°109.5°
C17C20F30110.6°109.5°
C20C17H17108.5°109.1°
C17N24C18116.6°119.2°
N24C17H17109.1°109.2°
C19C18N24112.1°109.4°
C18C19O27111.3°109.5°
C18C19H19107.9°109.5°
C19C18H181108.8°109.5°
C19C18H182108.8°109.5°
N24C18H181108.8°109.5°
N24C18H182108.8°109.4°
O27C19H19109.4°109.4°
C19O27H27109.5°114.0°
F28C20F29106.7°109.5°
F28C20F30107.9°109.5°
F29C20F30108.1°109.5°
H111C11H112109.5°108.9°
H121C12H122109.4°108.6°
H131C13H132109.5°109.7°
H151C15H152109.5°109.6°
H141C14H142109.5°109.7°
H161C16H162109.5°109.6°
H181C18H182109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C3H1180.0°179.7°
C1C2C4H2180.0°180.0°
C2C1C3C50.2°0.0°
C1C2C4C60.2°0.0°
C2C1C3H3179.8°180.0°
C1C2C4H4179.8°179.9°
C3C1C2C40.3°0.0°
C1C3C5H3180.0°180.0°
C1C3C5C60.0°0.1°
C3C1C2H2179.7°180.0°
C1C3C5H5180.0°179.9°
C2C4C6H4180.0°180.0°
C2C4C6C50.0°0.1°
C2C4C6C19179.6°179.9°
C4C2C1H1179.7°179.7°
C3C5C6C40.1°0.1°
C3C5C6H5180.0°179.8°
C3C5C6C19179.8°180.0°
C5C3C1H1179.8°179.7°
C4C6C5C19179.6°179.9°
C4C6C19C1888.6°95.0°
C4C6C19O2734.4°145.0°
C6C4C2H2179.8°180.0°
C4C6C5H5179.9°179.9°
C4C6C19H19153.2°25.1°
C5C6C19C1891.8°84.9°
C5C6C19O27145.2°35.1°
C6C5C3H3180.0°179.9°
C5C6C4H4180.0°179.9°
C5C6C19H1926.4°155.1°
C6C19C18O27121.7°120.0°
C6C19C18H19118.3°120.0°
C6C19C18N24158.0°179.7°
C6C19O27H19117.9°120.0°
C19C6C4H40.4°0.0°
C19C6C5H50.2°0.2°
C6C19C18H18137.6°60.3°
C6C19C18H18281.6°59.7°
C6C19O27H27180.0°64.2°
C8C7C9H7180.0°179.7°
C7C8N21N22179.8°180.0°
C8C7C9N230.4°1.0°
C8C7C9O25180.0°179.0°
C7C8N21C101.5°0.6°
C7C8N22C13179.7°151.9°
C7C8N22C1425.2°28.1°
C9C7C8N210.5°1.6°
C9C7C8N22179.2°178.5°
C7C9N23O25179.5°180.0°
C7C9N23C101.1°4.5°
C7C9N23C12179.3°173.7°
C8N21C10N232.1°3.0°
C8N21C10N24177.9°175.0°
N21C8N22C130.1°28.0°
N21C8N22C14154.6°152.0°
N21C8C7H7179.5°178.8°
N22C8N21C10178.3°179.4°
C8N22C13C15155.4°129.5°
C8N22C13C14156.3°180.0°
C8N22C14C16160.7°129.5°
N22C8C7H70.8°1.2°
C8N22C13H13184.4°110.8°
C8N22C13H13235.2°9.8°
C8N22C14H14140.4°9.7°
C8N22C14H14279.0°110.8°
C9N23C10N211.9°5.6°
C9N23C10C12179.6°178.2°
C9N23C10N24178.1°172.4°
C9N23C12C11154.6°157.2°
N23C9C7H7179.6°178.7°
C9N23C12H12185.0°36.2°
C9N23C12H12234.3°81.9°
O25C9N23C10179.4°175.5°
O25C9N23C120.2°6.3°
O25C9C7H70.0°1.3°
N21C10N23N24180.0°177.9°
N21C10N23C12178.5°172.6°
N21C10N24C17179.8°167.0°
N21C10N24C180.6°13.1°
C10N23C12C1125.8°24.6°
N23C10N24C170.2°15.0°
N23C10N24C18179.4°164.9°
C10N23C12H12194.6°145.6°
C10N23C12H122146.2°96.3°
C10N24C17C1127.6°34.4°
N24C10N23C121.5°9.5°
C10N24C17C2095.6°154.8°
C10N24C17C18179.6°179.9°
C10N24C18C1998.5°96.3°
C10N24C17H17146.3°85.9°
C10N24C18H18121.9°23.7°
C10N24C18H182141.1°143.7°
C12C11C17H111120.1°120.7°
C12C11C17H112120.2°120.6°
C11C12N23H121120.4°120.9°
C11C12N23H122120.4°120.9°
C12C11C17C2067.9°168.1°
C12C11C17N2453.4°47.7°
C12C11H111H112119.5°118.7°
C11C12H121H122118.9°118.2°
C12C11C17H17172.5°72.7°
C17C11C12N2352.9°43.4°
C11C17C20N24122.1°121.6°
C11C17C20H17119.4°119.2°
C11C17N24H17118.7°120.3°
C11C17N24C18152.7°145.5°
C11C17C20F2852.7°64.6°
C11C17C20F2966.6°175.5°
C11C17C20F30171.4°55.4°
C17C11H111H112119.5°118.7°
C17C11C12H12167.4°164.4°
C17C11C12H122173.3°77.5°
N23C12C11H11167.2°164.2°
N23C12C11H112173.1°77.2°
N23C12H121H122118.9°118.3°
C15C13N22H131120.2°119.7°
C15C13N22H132120.2°119.7°
C15C13N22C1448.3°50.5°
C13C15O26H151119.7°119.9°
C13C15O26H152119.7°119.9°
C13C15O26C1666.6°62.6°
C15C13H131H132119.4°120.6°
C13C15H151H152121.0°120.1°
C13N22C14C1643.9°50.5°
N22C13C15O2656.8°52.3°
N22C13H131H132119.4°120.5°
N22C13C15H15162.9°67.7°
N22C13C15H152176.4°172.2°
C13N22C14H141164.2°170.3°
C13N22C14H14276.4°69.2°
C16C14N22H141120.3°119.7°
C16C14N22H142120.3°119.7°
C14C16O26C1563.0°62.6°
C14C16O26H161120.1°119.9°
C14C16O26H162120.1°119.9°
C16C14H141H142119.1°120.5°
C14C16H161H162119.7°120.1°
N22C14C16O2649.0°52.3°
C14N22C13H13171.9°69.2°
C14N22C13H132168.5°170.3°
N22C14H141H142119.1°120.5°
N22C14C16H161169.1°172.2°
N22C14C16H16271.1°67.6°
O26C15C13H13163.4°67.4°
O26C15C13H132176.9°172.0°
O26C15H151H152121.0°120.2°
C15O26C16H161176.9°177.5°
C15O26C16H16257.1°57.3°
C16O26C15H15153.0°57.3°
C16O26C15H152173.7°177.5°
O26C16C14H141169.3°172.0°
O26C16C14H14271.3°67.4°
O26C16H161H162119.8°120.1°
C20C17N24H17118.1°119.2°
C20C17N24C1884.1°25.1°
C17C20F28F29123.7°120.0°
C17C20F28F30120.3°120.0°
C17C20F29F30123.3°120.0°
C20C17C11H111172.0°71.2°
C20C17C11H11252.3°47.5°
C17N24C18C1981.9°83.8°
N24C17C20F28174.8°57.0°
N24C17C20F2955.5°63.0°
N24C17C20F3066.5°177.0°
N24C17C11H11166.8°168.4°
N24C17C11H112173.5°72.9°
C17N24C18H181157.7°156.2°
C17N24C18H18238.5°36.2°
C19C18N24H181120.4°120.0°
C19C18N24H182120.4°120.0°
C18C19O27H19119.1°120.0°
C19C18H181H182118.8°120.1°
C18C19O27H2757.1°55.7°
N24C18C19O2736.4°60.3°
N24C18C19H1983.7°59.7°
C18N24C17H1734.1°94.2°
N24C18H181H182118.8°120.0°
O27C19C18H18184.0°59.7°
O27C19C18H182156.8°179.7°
F28C20F29F30115.8°120.0°
F28C20C17H1766.7°176.2°
F29C20C17H17173.9°56.3°
F30C20C17H1752.0°63.8°
H1C1C2H20.3°0.3°
H1C1C3H30.2°0.2°
H2C2C4H40.2°0.0°
H3C3C5H50.0°0.1°
H19C19C18H181156.0°179.7°
H19C19C18H18236.8°60.3°
H19C19O27H2762.1°175.8°
H111C11C12H121172.4°74.8°
H111C11C12H12253.1°43.2°
H111C11C17H1752.4°48.0°
H112C11C12H12152.7°43.8°
H112C11C12H12266.6°161.9°
H112C11C17H1767.3°166.7°
H131C13C15H151176.9°172.6°
H131C13C15H15256.2°52.5°
H132C13C15H15157.3°52.1°
H132C13C15H15263.4°68.1°
H141C14C16H16170.6°68.1°
H141C14C16H16249.2°52.1°
H142C14C16H16148.8°52.5°
H142C14C16H162168.6°172.7°

222624

PDB entries from 2024-07-17

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