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R8U

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5C4sing1.53Å1.51Å
F1C22sing1.35Å1.35Å
O5N4sing1.42Å1.43ÅAromatic
O5C16sing1.34Å1.35ÅAromatic
C4C6sing1.53Å1.52Å
C4O1sing1.43Å1.44Å
N4C17doub1.31Å1.31ÅAromatic
C6N1sing1.47Å1.46Å
C22C16sing1.39Å1.38ÅAromatic
C22C7doub1.40Å1.40ÅAromatic
C16C15doub1.41Å1.39ÅAromatic
O1C2sing1.43Å1.44Å
N1C7sing1.39Å1.45Å
N1C1sing1.48Å1.48Å
C7C8sing1.39Å1.40ÅAromatic
C17C15sing1.46Å1.40ÅAromatic
C17N5sing1.39Å1.42Å
C19C18sing1.53Å1.52Å
C15C14sing1.39Å1.40ÅAromatic
C18N5sing1.47Å1.48Å
C18C20sing1.54Å1.53Å
C2C1sing1.52Å1.55Å
C2C3sing1.54Å1.51Å
N5C21sing1.34Å1.38Å
C1C10sing1.53Å1.58Å
C8C14doub1.38Å1.39ÅAromatic
C8C9sing1.51Å1.50Å
O2C11doub1.21Å1.21Å
C20O6sing1.46Å1.45Å
C21O6sing1.34Å1.36Å
C21O7doub1.21Å1.21Å
C10C9sing1.53Å1.53Å
C10C11sing1.50Å1.53Å
C10C13sing1.51Å1.52Å
C11N2sing1.34Å1.37Å
N2C12sing1.34Å1.36Å
C13O4doub1.21Å1.21Å
C13N3sing1.34Å1.37Å
N3C12sing1.34Å1.37Å
C12O3doub1.21Å1.21Å
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C5H9sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C6H10sing1.10Å1.10Å
C6H11sing1.08Å1.10Å
C9H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
N2H14sing0.97Å1.00Å
N3H15sing0.97Å1.00Å
C14H16sing1.08Å1.08Å
C18H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H20sing1.09Å1.10Å
C20H21sing1.09Å1.10Å
C20H22sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C4C6114.4°109.6°
C5C4O1107.2°109.9°
C5C4H6108.7°109.9°
C4C5H9109.5°109.4°
C4C5H7109.5°109.5°
C4C5H8109.5°109.5°
F1C22C16118.9°119.2°
F1C22C7121.8°122.6°
N4O5C16106.8°109.3°
O5N4C17108.6°109.7°
O5C16C22129.4°132.0°
O5C16C15108.7°107.2°
C6C4O1108.0°107.1°
C4C6N1109.6°107.3°
C6C4H6108.7°109.9°
C4C6H10109.5°108.2°
C4C6H11109.4°110.9°
C4O1C2113.8°115.7°
O1C4H6109.8°110.3°
N4C17C15109.2°107.1°
N4C17N5119.1°126.4°
C6N1C7126.1°112.6°
C6N1C1112.7°109.5°
N1C6H10109.4°108.7°
N1C6H11109.4°112.8°
C16C22C7119.3°118.1°
C22C16C15122.0°120.7°
C22C7N1122.4°117.4°
C22C7C8119.2°119.9°
C16C15C17106.9°106.7°
C16C15C14119.2°120.8°
O1C2C1111.5°111.9°
O1C2C3105.5°105.8°
O1C2H2109.2°109.1°
C7N1C1121.1°113.9°
N1C7C8118.4°122.6°
N1C1C2108.9°110.4°
N1C1C10113.2°106.5°
N1C1H1107.8°108.3°
C7C8C14120.9°122.5°
C7C8C9118.4°121.6°
C15C17N5131.7°126.6°
C17C15C14133.9°132.5°
C17N5C18119.9°125.6°
C17N5C21128.6°125.5°
C19C18N5113.0°110.6°
C19C18C20113.5°110.5°
C19C18H17109.9°110.6°
C18C19H18109.5°109.5°
C18C19H19109.4°109.5°
C18C19H20109.5°109.5°
C15C14C8119.4°117.6°
C15C14H16120.3°121.3°
N5C18C20100.1°103.8°
C18N5C21111.5°108.9°
N5C18H17110.4°110.6°
C18C20O6104.9°104.0°
C20C18H17109.7°110.6°
C18C20H21110.6°110.5°
C18C20H22110.6°110.6°
C1C2C3114.3°110.1°
C2C1C10113.0°112.3°
C2C1H1107.0°109.7°
C1C2H2107.9°110.6°
C3C2H2108.3°109.1°
C2C3H5109.5°109.4°
C2C3H3109.5°109.5°
C2C3H4109.5°109.5°
N5C21O6109.0°113.8°
N5C21O7129.9°123.1°
C1C10C9108.1°107.9°
C1C10C11113.5°113.0°
C1C10C13112.4°108.4°
C10C1H1106.6°109.4°
C14C8C9120.6°115.9°
C8C14H16120.3°121.1°
C8C9C10109.2°108.7°
C8C9H12109.5°109.2°
C8C9H13109.5°110.0°
O2C11C10122.0°120.4°
O2C11N2119.2°118.5°
C20O6C21108.6°109.5°
O6C20H21110.6°110.5°
O6C20H22110.6°110.5°
O6C21O7121.1°123.1°
C9C10C11107.1°110.2°
C9C10C13101.9°108.8°
C10C9H12109.5°109.3°
C10C9H13109.5°110.2°
C11C10C13112.9°108.4°
C10C11N2118.7°121.0°
C10C13O4120.8°119.9°
C10C13N3118.3°120.9°
C11N2C12126.4°121.4°
C11N2H14116.8°119.0°
N2C12N3116.0°121.1°
N2C12O3121.5°119.5°
C12N2H14116.8°119.6°
O4C13N3120.8°119.1°
C13N3C12126.6°121.5°
C13N3H15116.7°119.2°
N3C12O3122.5°119.4°
C12N3H15116.7°119.3°
H5C3H3109.5°109.5°
H5C3H4109.5°109.5°
H3C3H4109.5°109.5°
H9C5H7109.5°109.5°
H9C5H8109.4°109.5°
H7C5H8109.5°109.5°
H10C6H11109.5°108.9°
H12C9H13109.5°109.4°
H18C19H19109.4°109.5°
H18C19H20109.4°109.5°
H19C19H20109.5°109.4°
H21C20H22109.5°110.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C4C6O1119.2°119.3°
C5C4C6H6121.8°120.9°
C5C4O1H6117.9°121.4°
C5C4C6N1179.2°177.2°
C5C4O1C2176.3°176.9°
C4C5H9H7120.0°120.1°
C4C5H9H8120.0°120.0°
C4C5H7H8120.0°120.0°
C5C4C6H1059.2°65.8°
C5C4C6H1160.8°53.6°
F1C22C16O50.3°4.0°
F1C22C16C7179.2°178.2°
F1C22C16C15180.0°176.6°
F1C22C7N12.1°4.5°
F1C22C7C8179.3°173.0°
N4O5C16C22179.4°179.0°
N4O5C16C150.2°0.5°
O5N4C17C150.3°0.1°
O5N4C17N5179.6°179.9°
C16O5N4C170.3°0.4°
O5C16C22C15179.6°179.4°
O5C16C22C7179.5°177.8°
O5C16C15C170.1°0.4°
O5C16C15C14179.8°179.4°
C6C4O1H6118.3°119.6°
C4C6N1H10120.0°116.8°
C4C6N1H11120.0°122.4°
C6C4O1C260.0°57.9°
C4C6N1C7117.6°62.6°
C4C6N1C159.6°65.3°
C6C4C5H9180.0°60.0°
C6C4C5H760.0°180.0°
C6C4C5H860.0°60.0°
C4C6H10H11120.0°120.6°
O1C4C6N160.0°63.6°
C4O1C2C156.3°50.9°
C4O1C2C3179.1°170.8°
C4O1C2H262.9°71.9°
O1C4C5H960.3°57.5°
O1C4C5H7179.7°62.5°
O1C4C5H859.7°177.5°
O1C4C6H1060.0°53.5°
O1C4C6H11180.0°172.8°
N4C17C15C160.1°0.2°
N4C17C15N5179.2°180.0°
N4C17C15C14179.9°179.6°
N4C17N5C189.7°173.5°
N4C17N5C21170.6°6.2°
C6N1C7C2223.7°41.8°
C6N1C7C1177.0°125.5°
C6N1C7C8157.7°140.8°
C6N1C1C253.7°57.4°
C6N1C1C10179.7°179.6°
C6N1C1H162.0°62.8°
N1C6C4H659.1°56.2°
N1C6H10H11119.9°123.2°
C16C22C7N1178.8°177.4°
C16C22C7C80.2°5.1°
C22C16C15C17179.6°179.1°
C22C16C15C140.5°1.0°
C7C22C16C150.9°1.6°
C22C7N1C8178.6°177.4°
C22C7N1C1153.3°167.3°
C22C7C8C140.8°6.2°
C22C7C8C9178.0°171.9°
C16C15C17C14179.8°179.8°
C16C15C17N5179.4°179.8°
C16C15C14C80.5°0.1°
C16C15C14H16179.5°178.7°
O1C2C1N150.5°48.2°
O1C2C1C3119.5°117.4°
O1C2C1H2119.9°121.9°
O1C2C3H2116.8°117.3°
O1C2C1C10177.2°167.0°
O1C2C1H165.7°71.0°
O1C2C3H5180.0°170.4°
O1C2C3H360.0°50.4°
O1C2C3H460.0°69.6°
C2O1C4H658.4°61.7°
C7N1C1C2123.7°69.8°
C7N1C1C102.9°52.5°
N1C7C8C14177.8°176.4°
N1C7C8C90.7°5.4°
C7N1C1H1120.7°170.1°
C7N1C6H10122.4°179.4°
C7N1C6H112.5°59.8°
C1N1C7C825.3°15.3°
N1C1C2C10126.7°118.8°
N1C1C2H1116.2°119.3°
N1C1C2C3170.0°165.7°
N1C1C10H1118.4°116.9°
N1C1C10C939.9°71.3°
N1C1C10C1178.7°166.6°
N1C1C10C13151.7°46.4°
N1C1C2H269.5°73.7°
C1N1C6H1060.4°51.5°
C1N1C6H11179.6°172.3°
C7C8C14C151.2°3.5°
C7C8C14C9177.1°178.3°
C7C8C9C1043.6°13.4°
C7C8C9H1276.4°132.6°
C7C8C9H13163.5°107.4°
C7C8C14H16178.8°177.7°
C15C17N5C18169.5°6.4°
C15C17N5C2110.3°173.9°
C17C15C14C8179.3°179.9°
C17C15C14H160.7°1.1°
C17N5C18C1968.6°61.5°
N5C17C15C140.8°0.4°
C17N5C18C21179.8°179.7°
C17N5C18C20170.3°180.0°
C17N5C21O6174.6°179.8°
C17N5C21O77.9°0.0°
C17N5C18H1754.8°61.4°
C19C18N5C20121.0°118.5°
C19C18N5H17123.5°122.9°
C19C18C20H17123.3°122.8°
C19C18N5C21111.1°118.3°
C19C18C20O6100.4°118.6°
C18C19H18H19120.0°120.1°
C18C19H18H20120.0°120.0°
C18C19H19H20120.0°119.9°
C19C18C20H21140.3°122.9°
C19C18C20H2218.8°0.0°
C15C14C8H16180.0°178.8°
C15C14C8C9178.2°174.8°
N5C18C20H17116.0°118.7°
N5C18C20O620.2°0.1°
C18N5C21O65.1°0.5°
C18N5C21O7172.3°179.8°
N5C18C19H18180.0°74.6°
N5C18C19H1960.0°165.3°
N5C18C19H2060.0°45.4°
N5C18C20H2199.1°118.6°
N5C18C20H22139.5°118.6°
C20C18N5C219.9°0.2°
C18C20O6H21119.3°118.6°
C18C20O6H22119.3°118.7°
C18C20O6C2125.2°0.3°
C20C18C19H1866.9°39.7°
C20C18C19H19173.1°80.3°
C20C18C19H2053.0°159.8°
C18C20H21H22122.1°122.8°
C1C2C3H2120.3°121.6°
C2C1C10H1117.2°122.1°
C2C1C10C9164.3°49.7°
C2C1C10C1145.7°72.4°
C2C1C10C1384.0°167.4°
C1C2C3H557.2°68.5°
C1C2C3H3177.2°171.5°
C1C2C3H462.8°51.5°
C3C2C1C1063.3°75.6°
C3C2C1H153.8°46.4°
C2C3H5H3120.0°120.0°
C2C3H5H4120.0°120.0°
C2C3H3H4120.0°120.0°
N5C21O6C2019.3°0.5°
N5C21O6O7177.7°179.8°
C21N5C18H17125.4°118.9°
C1C10C9C862.2°50.1°
C1C10C11O239.4°88.9°
C1C10C9C11122.7°123.9°
C1C10C9C13118.7°117.4°
C1C10C11C13129.4°120.2°
C1C10C11N2140.1°94.7°
C1C10C13O444.3°80.5°
C1C10C13N3136.6°100.1°
C10C1C2H257.3°45.1°
C1C10C9H1257.7°169.2°
C1C10C9H13177.8°70.5°
C14C8C9C10133.6°164.9°
C14C8C9H12106.5°45.7°
C14C8C9H1313.6°74.3°
C8C9C10H12119.9°119.1°
C8C9C10H13120.0°120.6°
C8C9C10C1160.5°174.0°
C8C9C10C13179.1°67.2°
C8C9H12H13120.1°120.4°
C9C8C14H161.8°4.1°
O2C11C10C979.8°31.9°
O2C11C10N2179.5°176.4°
O2C11C10C13168.9°150.9°
O2C11N2C12173.3°164.0°
O2C11N2H146.7°15.9°
C20O6C21O7158.4°179.7°
O6C20C18H17136.2°118.6°
O6C20H21H22122.1°122.7°
C21O6C20H2194.1°118.9°
C21O6C20H22144.4°118.4°
C9C10C11C13111.3°119.0°
C9C10C11N2100.7°144.5°
C9C10C13O471.3°36.6°
C9C10C13N3107.9°142.8°
C9C10C1H178.5°171.9°
C10C9H12H13120.1°120.8°
C10C11N2C126.2°12.4°
C11C10C13O4174.2°156.5°
C11C10C13N36.6°22.9°
C11C10C1H1162.9°49.8°
C11C10C9H12179.6°66.9°
C11C10C9H1359.5°53.3°
C10C11N2H14173.8°167.6°
C13C10C11N210.7°25.5°
C10C13O4N3179.1°179.4°
C10C13N3C122.7°7.2°
C13C10C1H133.3°70.5°
C13C10C9H1260.9°51.9°
C13C10C9H1359.2°172.1°
C10C13N3H15177.3°171.7°
C11N2C12H14180.0°180.0°
C11N2C12N33.3°7.0°
C11N2C12O3176.4°174.0°
N2C12N3C138.1°9.6°
N2C12N3O3179.7°179.0°
N2C12N3H15171.9°171.5°
O4C13N3C12176.4°172.2°
O4C13N3H153.6°8.9°
C13N3C12H15180.0°178.9°
C13N3C12O3171.6°171.4°
N3C12N2H14176.7°173.0°
O3C12N2H143.6°6.1°
O3C12N3H158.4°7.6°
H1C1C2H2174.3°167.1°
H2C2C3H563.2°53.1°
H2C2C3H356.9°66.9°
H2C2C3H4176.9°173.1°
H5C3H3H4120.0°120.1°
H6C4C5H958.3°179.1°
H6C4C5H761.7°59.1°
H6C4C5H8178.3°60.9°
H6C4C6H10179.1°173.3°
H6C4C6H1160.9°67.3°
H9C5H7H8119.9°120.0°
H17C18C19H1856.3°162.5°
H17C18C19H1963.7°42.4°
H17C18C19H20176.2°77.5°
H17C18C20H2116.9°0.1°
H17C18C20H22104.5°122.8°
H18C19H19H20120.0°120.0°

227344

PDB entries from 2024-11-13

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