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XO4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C02sing1.53Å1.54Å
C02C03sing1.53Å1.55Å
C03C04sing1.53Å1.53Å
F35C33sing1.40Å1.36Å
F34C33sing1.40Å1.38Å
C33O32sing1.43Å1.44Å
C33F36sing1.40Å1.38Å
C04C05sing1.53Å1.63Å
N15C14sing1.34Å1.33ÅAromatic
N15C16doub1.30Å1.36ÅAromatic
C14C13doub1.35Å1.41ÅAromatic
C06C05sing1.53Å1.50Å
C06N07sing1.46Å1.47Å
O32C28sing1.36Å1.44Å
C05N11sing1.47Å1.38Å
C29C28doub1.39Å1.40ÅAromatic
C29C30sing1.38Å1.40ÅAromatic
C28C27sing1.39Å1.40ÅAromatic
C30C31doub1.38Å1.40ÅAromatic
C27C26doub1.39Å1.39ÅAromatic
C31C26sing1.39Å1.41ÅAromatic
C26N07sing1.40Å1.46Å
C16N17sing1.35Å1.38ÅAromatic
N07C08sing1.34Å1.46Å
C13C12sing1.51Å1.58Å
C13N17sing1.37Å1.32ÅAromatic
N11C12sing1.47Å1.30Å
N11C10sing1.47Å1.38Å
N17C18sing1.47Å1.51Å
C25C24doub1.38Å1.41ÅAromatic
C25C19sing1.38Å1.42ÅAromatic
C24C22sing1.38Å1.41ÅAromatic
C08C10sing1.50Å1.59Å
C08O09doub1.21Å1.21Å
C18C19sing1.51Å1.54Å
C19C20doub1.38Å1.41ÅAromatic
C22F23sing1.35Å1.37Å
C22C21doub1.38Å1.41ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C20H3sing1.08Å1.08Å
C21H4sing1.08Å1.08Å
C24H5sing1.08Å1.08Å
C01H6sing1.09Å1.10Å
C01H7sing1.09Å1.10Å
C01H8sing1.09Å1.10Å
C02H9sing1.09Å1.10Å
C02H10sing1.09Å1.10Å
C03H11sing1.09Å1.10Å
C03H12sing1.09Å1.10Å
C04H13sing1.09Å1.10Å
C04H14sing1.09Å1.10Å
C05H15sing1.09Å1.10Å
C06H16sing1.09Å1.10Å
C06H17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C14H20sing1.08Å1.08Å
C16H21sing1.08Å1.08Å
C18H22sing1.09Å1.10Å
C18H23sing1.09Å1.10Å
C25H24sing1.08Å1.08Å
C27H25sing1.08Å1.08Å
C29H26sing1.08Å1.08Å
C30H27sing1.08Å1.08Å
C31H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01C02C03113.4°109.5°
C02C01H6109.5°109.5°
C02C01H7109.4°109.5°
C02C01H8109.4°109.4°
C01C02H9108.5°109.5°
C01C02H10108.4°109.5°
C02C03C04113.4°109.5°
C03C02H9108.5°109.5°
C03C02H10108.5°109.4°
C02C03H11108.5°109.5°
C02C03H12108.5°109.4°
C03C04C05112.8°109.4°
C04C03H11108.5°109.5°
C04C03H12108.5°109.5°
C03C04H13108.7°109.5°
C03C04H14108.6°109.5°
F35C33F34105.6°109.5°
F35C33O32112.2°109.4°
F35C33F36109.7°109.5°
F34C33O32109.7°109.5°
F34C33F36110.5°109.5°
O32C33F36109.1°109.4°
C33O32C28118.1°117.0°
C04C05C06109.0°109.5°
C04C05N11112.8°109.6°
C05C04H13108.6°109.5°
C05C04H14108.6°109.4°
C04C05H15106.8°109.6°
C14N15C16109.0°109.3°
N15C14C13107.6°108.0°
N15C14H20126.2°125.9°
N15C16N17107.0°108.7°
N15C16H21126.5°125.7°
C14C13C12125.5°126.6°
C14C13N17107.0°106.8°
C13C14H20126.2°126.0°
C05C06N07114.9°110.0°
C06C05N11109.9°108.7°
C06C05H15108.3°109.7°
C05C06H16108.1°109.4°
C05C06H17108.1°109.4°
C06N07C26121.8°118.5°
C06N07C08117.3°122.9°
N07C06H16108.1°109.2°
N07C06H17108.1°109.5°
O32C28C29119.8°120.0°
O32C28C27121.3°120.0°
C05N11C12115.1°111.1°
C05N11C10114.4°110.2°
N11C05H15110.0°109.6°
C28C29C30120.3°120.0°
C29C28C27118.9°120.0°
C28C29H26119.8°119.9°
C29C30C31120.3°120.1°
C30C29H26119.8°120.0°
C29C30H27119.8°119.9°
C28C27C26121.0°119.9°
C28C27H25119.5°120.1°
C30C31C26119.3°120.0°
C31C30H27119.9°119.9°
C30C31H28120.3°120.0°
C27C26C31120.1°119.9°
C27C26N07119.1°120.1°
C26C27H25119.5°120.0°
C31C26N07120.9°120.0°
C26C31H28120.3°119.9°
C26N07C08120.9°118.6°
C16N17C13109.5°107.2°
C16N17C18124.6°126.4°
N17C16H21126.6°125.6°
N07C08C10116.8°122.7°
N07C08O09121.5°118.6°
C12C13N17127.5°126.6°
C13C12N11111.0°109.5°
C13C12H18109.1°109.5°
C13C12H19109.1°109.5°
C13N17C18125.9°126.4°
C12N11C10113.0°111.1°
N11C12H18109.1°109.5°
N11C12H19109.1°109.5°
N11C10C08115.3°109.9°
N11C10H1108.0°109.5°
N11C10H2108.0°109.4°
N17C18C19111.4°109.5°
N17C18H22109.0°109.4°
N17C18H23109.0°109.5°
C24C25C19119.5°120.1°
C25C24C22119.9°120.0°
C25C24H5120.0°120.1°
C24C25H24120.2°120.0°
C25C19C18122.0°120.0°
C25C19C20120.2°120.0°
C19C25H24120.3°119.9°
C24C22F23121.4°120.0°
C24C22C21120.1°119.9°
C22C24H5120.1°120.0°
C10C08O09121.7°118.7°
C08C10H1108.0°109.4°
C08C10H2108.0°109.3°
C18C19C20117.7°120.0°
C19C18H22109.0°109.4°
C19C18H23109.0°109.5°
C19C20C21119.9°120.0°
C19C20H3120.0°120.0°
F23C22C21118.5°120.0°
C22C21C20120.4°120.0°
C22C21H4119.8°120.0°
C21C20H3120.1°120.0°
C20C21H4119.8°120.0°
H1C10H2109.5°109.4°
H6C01H7109.5°109.5°
H6C01H8109.5°109.4°
H7C01H8109.5°109.5°
H9C02H10109.5°109.5°
H11C03H12109.5°109.5°
H13C04H14109.5°109.5°
H16C06H17109.5°109.3°
H18C12H19109.5°109.4°
H22C18H23109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01C02C03H9120.6°120.0°
C01C02C03H10120.6°120.0°
C01C02C03C04176.0°NaN°
C02C01H6H7120.0°120.1°
C02C01H6H8120.0°120.0°
C02C01H7H8120.0°120.0°
C01C02H9H10118.2°120.1°
C01C02C03H1155.4°60.0°
C01C02C03H1263.4°60.0°
C02C03C04H11120.6°120.0°
C02C03C04H12120.6°120.0°
C02C03C04C05170.4°175.0°
C03C02C01H6180.0°60.0°
C03C02C01H760.0°60.0°
C03C02C01H860.0°180.0°
C03C02H9H10118.2°120.0°
C02C03H11H12118.2°119.9°
C02C03C04H1369.1°55.0°
C02C03C04H1449.9°65.1°
C03C04C05H13120.5°120.0°
C03C04C05H14120.5°120.0°
C03C04C05C0654.5°178.3°
C03C04C05N11176.8°62.5°
C04C03C02H963.4°60.0°
C04C03C02H1055.4°60.0°
C04C03H11H12118.2°120.1°
C03C04H13H14118.5°120.1°
C03C04C05H1562.2°57.8°
F35C33F34O32121.1°120.0°
F35C33F34F36118.6°120.1°
F35C33O32F36121.8°120.0°
F35C33O32C2844.2°180.0°
F34C33O32F36121.1°120.0°
F34C33O32C28161.2°60.0°
C33O32C28C29153.0°0.1°
C33O32C28C2728.6°180.0°
F36C33O32C2877.6°60.0°
C04C05C06N11124.0°119.8°
C04C05C06H15115.8°120.4°
C04C05C06N0769.9°170.2°
C04C05N11H15119.1°120.3°
C04C05N11C1277.2°65.4°
C04C05N11C1056.1°171.1°
C05C04C03H1149.8°65.0°
C05C04C03H1269.0°55.0°
C05C04H13H14118.5°120.0°
C04C05C06H16169.3°69.8°
C04C05C06H1750.9°49.9°
N15C14C13H20180.0°179.9°
C14N15C16N170.7°0.2°
N15C14C13C12179.9°180.0°
N15C14C13N170.9°0.3°
C14N15C16H21179.3°179.9°
C16N15C14C131.0°0.0°
N15C16N17H21180.0°179.6°
N15C16N17C130.1°0.4°
N15C16N17C18178.5°179.7°
C16N15C14H20179.0°180.0°
C14C13N17C160.5°0.4°
C14C13C12N17178.7°179.6°
C14C13C12N1199.9°24.3°
C14C13N17C18179.1°179.7°
C14C13C12H1820.3°95.8°
C14C13C12H19139.9°144.3°
C05C06N07H16120.8°120.1°
C05C06N07H17120.8°120.3°
C06C05N11H15119.1°119.9°
C05C06N07C26158.3°161.7°
C05C06N07C0821.5°18.3°
C06C05N11C12161.0°54.4°
C06C05N11C1065.7°69.2°
C06C05C04H1366.0°58.3°
C06C05C04H14175.0°61.7°
C05C06H16H17117.6°119.8°
N07C06C05N1154.2°50.5°
C06N07C26C2761.1°67.4°
C06N07C26C31119.9°112.9°
C06N07C26C08179.7°180.0°
C06N07C08C100.3°1.7°
C06N07C08O09180.0°178.2°
N07C06C05H15174.3°69.4°
N07C06H16H17117.5°119.8°
O32C28C29C27178.4°179.9°
O32C28C29C30179.1°179.8°
O32C28C27C26179.8°179.9°
O32C28C27H250.1°0.0°
O32C28C29H260.9°0.0°
C05N11C12C1373.9°163.8°
C05N11C12C10133.9°123.0°
C05N11C10C0842.9°50.3°
C05N11C10H178.0°69.8°
C05N11C10H2163.8°170.4°
N11C05C04H1356.3°177.5°
N11C05C04H1462.7°57.5°
N11C05C06H1666.7°170.4°
N11C05C06H17174.9°69.9°
C05N11C12H1846.3°43.7°
C05N11C12H19165.9°76.2°
C28C29C30H26180.0°179.7°
C28C29C30C310.1°0.3°
C29C28C27C261.5°0.0°
C29C28C27H25178.5°180.0°
C28C29C30H27179.9°180.0°
C30C29C28C270.7°0.3°
C29C30C31H27180.0°179.7°
C29C30C31C260.1°0.0°
C29C30C31H28179.9°180.0°
C28C27C26H25180.0°180.0°
C28C27C26C311.5°0.3°
C28C27C26N07179.6°180.0°
C27C28C29H26179.3°180.0°
C30C31C26C270.6°0.3°
C30C31C26H28180.0°179.9°
C30C31C26N07179.5°180.0°
C31C30C29H26180.0°180.0°
C27C26C31N07178.9°179.6°
C27C26N07C08119.1°112.5°
C27C26C31H28179.4°179.7°
C31C26N07C0859.8°67.1°
C31C26C27H25178.5°179.7°
C26C31C30H27179.9°179.7°
C26N07C08C10180.0°178.3°
C26N07C08O090.3°1.8°
C26N07C06H1681.0°41.7°
C26N07C06H1737.4°78.0°
N07C26C27H250.4°0.1°
N07C26C31H280.4°0.1°
C16N17C13C12179.4°179.9°
C16N17C13C18178.6°179.8°
C16N17C18C19112.6°95.4°
C16N17C18H22127.0°144.7°
C16N17C18H237.7°24.6°
N07C08C10N118.9°17.2°
N07C08C10O09179.7°179.9°
N07C08C10H1112.0°103.0°
N07C08C10H2129.7°137.3°
C08N07C06H1699.3°138.3°
C08N07C06H17142.3°102.0°
C13C12N11H18120.2°120.0°
C13C12N11H19120.2°120.0°
C13C12N11C10152.2°73.2°
C12C13N17C182.0°0.0°
C13C12H18H19119.3°119.9°
C12C13C14H200.1°0.1°
N17C13C12N1178.8°155.4°
C13N17C18C1969.0°84.4°
N17C13C12H18161.0°84.6°
N17C13C12H1941.4°35.3°
N17C13C14H20179.0°179.8°
C13N17C16H21179.9°180.0°
C13N17C18H2251.3°35.5°
C13N17C18H23170.7°155.5°
C12N11C10C08177.2°73.2°
C12N11C10H156.3°166.7°
C12N11C10H262.0°46.8°
C12N11C05H1541.9°174.3°
N11C12H18H19119.3°120.0°
N11C10C08H1120.8°120.2°
N11C10C08H2120.9°120.1°
N11C10C08O09170.8°162.8°
N11C10H1H2117.3°119.8°
C10N11C05H15175.2°50.7°
C10N11C12H1887.6°166.8°
C10N11C12H1932.0°46.8°
N17C18C19C2540.6°91.2°
N17C18C19H22120.3°119.9°
N17C18C19H23120.3°120.1°
N17C18C19C20140.6°88.3°
C18N17C16H211.5°0.1°
N17C18H22H23119.1°120.0°
C24C25C19H24180.0°179.7°
C25C24C22H5180.0°179.9°
C24C25C19C18179.1°180.0°
C24C25C19C200.3°0.5°
C25C24C22F23179.6°179.9°
C25C24C22C210.1°0.0°
C19C25C24C220.1°0.3°
C25C19C18C20178.9°179.5°
C25C19C20C210.6°0.5°
C25C19C20H3179.4°179.8°
C19C25C24H5179.9°179.8°
C25C19C18H22160.9°28.7°
C25C19C18H2379.7°148.7°
C24C22F23C21179.6°180.0°
C24C22C21C200.3°0.0°
C24C22C21H4179.7°180.0°
C22C24C25H24180.0°180.0°
C08C10H1H2117.3°119.7°
O09C08C10H168.3°77.1°
O09C08C10H250.0°42.7°
C18C19C20C21179.5°180.0°
C18C19C20H30.5°0.3°
C19C18H22H23119.1°120.0°
C18C19C25H240.9°0.3°
C19C20C21C220.6°0.3°
C19C20C21H3180.0°179.7°
C19C20C21H4179.4°179.8°
C20C19C18H2220.2°151.8°
C20C19C18H2399.2°31.8°
C20C19C25H24179.7°179.7°
F23C22C21C20179.3°180.0°
F23C22C21H40.7°0.0°
F23C22C24H50.3°0.0°
C22C21C20H4180.0°180.0°
C22C21C20H3179.4°180.0°
C21C22C24H5179.9°179.9°
H3C20C21H40.6°0.0°
H5C24C25H240.1°0.1°
H6C01H7H8120.0°119.9°
H6C01C02H959.4°60.0°
H6C01C02H1059.4°180.0°
H7C01C02H960.6°180.0°
H7C01C02H10179.4°60.0°
H8C01C02H9179.4°60.0°
H8C01C02H1060.6°60.1°
H9C02C03H11176.0°180.0°
H9C02C03H1257.2°60.0°
H10C02C03H1165.2°60.1°
H10C02C03H12176.0°180.0°
H11C03C04H13170.3°175.0°
H11C03C04H1470.7°54.9°
H12C03C04H1351.5°65.0°
H12C03C04H14170.5°175.0°
H13C04C05H15177.3°62.2°
H14C04C05H1558.3°177.8°
H15C05C06H1653.5°50.5°
H15C05C06H1764.9°170.2°
H26C29C30H270.1°0.3°
H27C30C31H280.1°0.3°

222415

PDB entries from 2024-07-10

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