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UN5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O8C9doub1.21Å1.23Å
C9N4sing1.35Å1.33Å
C9C8sing1.51Å1.51Å
N4C20sing1.46Å1.45Å
N4HN4sing0.97Å1.02Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.12Å
C20H203sing1.09Å1.12Å
C8N2sing1.47Å1.47Å
C8C7sing1.53Å1.53Å
C8H8sing1.09Å1.12Å
N2C11sing1.47Å1.47Å
N2C10sing1.35Å1.33Å
C11C6sing1.51Å1.52Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C6C2sing1.39Å1.40ÅAromatic
C6C3doub1.38Å1.38ÅAromatic
C2C5doub1.39Å1.40ÅAromatic
C2H2sing1.08Å1.10Å
C5N1sing1.40Å1.36Å
C5C4sing1.39Å1.39ÅAromatic
N1S1sing1.66Å1.62Å
N1HN1sing0.97Å1.02Å
S1O3sing1.52Å1.47Å
S1O2doub1.42Å1.45Å
S1O1doub1.42Å1.48Å
O3HO3sing0.97Å0.95Å
C4C1doub1.38Å1.39ÅAromatic
C4H4sing1.08Å1.10Å
C3C7sing1.51Å1.51Å
C3C1sing1.39Å1.39ÅAromatic
C7H71sing1.09Å1.12Å
C7H72sing1.09Å1.12Å
C1H1sing1.08Å1.10Å
C10O4doub1.21Å1.23Å
C10C12sing1.51Å1.51Å
C12C13sing1.53Å1.53Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.12Å
C13C14sing1.51Å1.52Å
C13H131sing1.09Å1.11Å
C13H132sing1.09Å1.11Å
C14C16doub1.38Å1.39ÅAromatic
C14C17sing1.38Å1.39ÅAromatic
C16C19sing1.38Å1.40ÅAromatic
C16H16sing1.08Å1.10Å
C19C15doub1.38Å1.39ÅAromatic
C19H19sing1.08Å1.10Å
C15C18sing1.39Å1.40ÅAromatic
C15H15sing1.08Å1.10Å
C18C17doub1.39Å1.39ÅAromatic
C18N3sing1.40Å1.35Å
C17H17sing1.08Å1.10Å
N3S2sing1.66Å1.61Å
N3HN3sing0.97Å1.02Å
S2O5sing1.52Å1.48Å
S2O6doub1.42Å1.49Å
S2O7doub1.42Å1.49Å
O5HO5sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O8C9N4117.4°120.0°
O8C9C8122.2°120.0°
N4C9C8120.3°120.0°
C9N4C20117.0°120.0°
C9N4HN4117.3°120.0°
C9C8N2109.4°109.8°
C9C8C7112.9°109.8°
C9C8H8106.8°109.8°
C20N4HN4125.7°120.0°
N4C20H201109.5°109.5°
N4C20H202117.0°109.4°
N4C20H203109.5°109.5°
H201C20H202109.5°109.4°
H201C20H203100.7°109.5°
H202C20H203109.5°109.4°
N2C8C7108.4°108.0°
N2C8H8111.5°109.8°
C8N2C11122.3°117.3°
C8N2C10117.3°121.4°
C7C8H8107.8°109.8°
C8C7C3110.2°110.9°
C8C7H71111.9°109.2°
C8C7H72111.9°109.2°
C11N2C10120.5°121.3°
N2C11C6112.9°109.7°
N2C11H111111.0°109.4°
N2C11H112111.0°109.4°
N2C10O4121.7°120.0°
N2C10C12116.9°120.0°
C6C11H111111.0°109.4°
C6C11H112110.9°109.4°
C11C6C2117.6°117.7°
C11C6C3122.1°122.3°
H111C11H11299.3°109.4°
C2C6C3120.2°120.0°
C6C2C5120.9°120.4°
C6C2H2119.4°119.8°
C6C3C7118.7°122.8°
C6C3C1120.1°119.6°
C5C2H2119.8°119.8°
C2C5N1120.4°120.2°
C2C5C4117.4°119.6°
N1C5C4122.1°120.2°
C5N1S1121.5°120.0°
C5N1HN1107.9°120.0°
C5C4C1122.3°119.7°
C5C4H4118.8°120.2°
S1N1HN1107.9°120.0°
N1S1O3104.8°107.4°
N1S1O2107.8°105.7°
N1S1O1105.0°105.8°
O3S1O2115.9°105.8°
O3S1O1113.9°105.8°
S1O3HO3104.7°106.8°
O2S1O1108.7°125.4°
C1C4H4118.8°120.1°
C4C1C3119.0°120.7°
C4C1H1120.5°119.7°
C7C3C1121.2°117.6°
C3C7H71111.9°109.2°
C3C7H72111.9°109.2°
C3C1H1120.5°119.7°
H71C7H7298.5°109.2°
O4C10C12121.4°120.0°
C10C12C13112.9°109.5°
C10C12H121111.0°109.5°
C10C12H122111.0°109.4°
C13C12H121111.0°109.5°
C13C12H122111.0°109.5°
C12C13C14108.1°109.4°
C12C13H131112.7°109.4°
C12C13H132112.7°109.5°
H121C12H12299.3°109.4°
C14C13H131112.7°109.5°
C14C13H132112.8°109.5°
C13C14C16119.7°120.0°
C13C14C17120.6°119.9°
H131C13H13297.7°109.5°
C16C14C17119.6°120.1°
C14C16C19120.3°120.1°
C14C16H16119.7°119.9°
C14C17C18120.3°119.9°
C14C17H17119.8°120.0°
C19C16H16120.0°120.0°
C16C19C15119.8°120.1°
C16C19H19120.2°119.9°
C15C19H19119.9°120.0°
C19C15C18119.7°119.9°
C19C15H15120.0°120.1°
C18C15H15120.2°120.0°
C15C18C17120.2°119.9°
C15C18N3123.1°120.1°
C17C18N3116.7°120.1°
C18C17H17119.9°120.0°
C18N3S2126.7°120.0°
C18N3HN3106.2°120.0°
S2N3HN3106.1°120.0°
N3S2O5108.7°107.4°
N3S2O6111.7°105.8°
N3S2O7107.2°105.7°
O5S2O6109.0°105.8°
O5S2O7113.4°105.8°
S2O5HO5108.6°106.8°
O6S2O7106.9°125.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O8C9N4C8176.4°180.0°
O8C9N4C206.4°0.1°
O8C9N4HN4173.6°180.0°
O8C9C8N2160.5°93.6°
O8C9C8C739.7°24.9°
O8C9C8H878.7°145.6°
C9N4C20HN4180.0°179.9°
C9N4C20H20154.7°180.0°
C9N4C20H202180.0°60.1°
C9N4C20H20354.7°59.9°
N4C9C8N215.7°86.4°
N4C9C8C7136.5°155.1°
N4C9C8H8105.1°34.4°
C8C9N4C20177.2°180.0°
C8C9N4HN42.8°0.1°
C9C8N2C7123.5°119.6°
C9C8N2H8117.9°120.7°
C9C8C7H8117.8°120.7°
C9C8N2C1179.8°176.2°
C9C8N2C1099.6°3.9°
C9C8C7C364.7°167.2°
C9C8C7H71170.0°46.8°
C9C8C7H7260.6°72.5°
N4C20H201H202129.5°120.0°
N4C20H201H203115.2°120.1°
N4C20H202H203125.2°120.1°
HN4N4C20H201125.3°0.1°
HN4N4C20H2020.0°120.0°
HN4N4C20H203125.3°120.0°
H201C20H202H203109.5°119.9°
N2C8C7H8120.8°119.7°
C8N2C11C10179.4°179.9°
C8N2C11C68.4°44.3°
C8N2C11H111116.9°164.4°
C8N2C11H112133.6°75.7°
N2C8C7C356.7°47.5°
N2C8C7H7168.5°72.8°
N2C8C7H72178.0°167.9°
C8N2C10O41.3°5.7°
C8N2C10C12178.4°174.3°
C7C8N2C1143.8°64.2°
C7C8N2C10136.9°115.8°
C8C7C3C638.5°20.2°
C8C7C3H71125.3°120.4°
C8C7C3H72125.3°120.4°
C8C7C3C1141.5°160.0°
C8C7H71H72117.9°119.4°
H8C8N2C11162.3°55.5°
H8C8N2C1018.3°124.6°
H8C8C7C3177.5°72.1°
H8C8C7H7152.3°167.5°
H8C8C7H7257.2°48.2°
N2C11C6H111125.3°120.1°
N2C11C6H112125.3°120.0°
N2C11H111H112116.9°119.9°
N2C11C6C2162.8°169.2°
N2C11C6C314.7°11.5°
C11N2C10O4179.3°174.2°
C11N2C10C120.9°5.8°
C10N2C11C6172.3°135.6°
C10N2C11H11162.4°15.5°
C10N2C11H11247.0°104.3°
N2C10O4C12179.8°180.0°
N2C10C12C13178.8°180.0°
N2C10C12H12155.9°60.0°
N2C10C12H12253.6°60.0°
C6C11H111H112116.8°119.9°
C11C6C2C3177.6°179.3°
C11C6C2C5179.0°178.9°
C11C6C2H20.9°1.2°
C11C6C3C71.7°1.5°
C11C6C3C1178.3°178.7°
H111C11C6C237.5°49.1°
H111C11C6C3140.0°131.6°
H112C11C6C271.9°70.8°
H112C11C6C3110.6°108.5°
C6C2C5H2180.0°180.0°
C6C2C5N1178.7°179.9°
C6C2C5C42.1°0.0°
C2C6C3C7179.2°179.2°
C2C6C3C10.8°0.6°
C3C6C2C51.4°0.4°
C3C6C2H2178.5°179.5°
C6C3C1C40.9°0.3°
C6C3C7C1180.0°179.8°
C6C3C7H7186.8°100.1°
C6C3C7H72163.8°140.6°
C6C3C1H1179.1°179.6°
C2C5N1C4176.5°179.9°
C2C5N1S197.8°135.0°
C2C5N1HN1136.9°45.0°
C2C5C4C12.2°0.3°
C2C5C4H4177.8°179.8°
H2C2C5N11.2°0.1°
H2C2C5C4177.8°180.0°
C5N1S1HN1125.2°180.0°
C5N1S1O3174.2°65.0°
C5N1S1O261.9°177.6°
C5N1S1O153.9°47.6°
N1C5C4C1178.8°179.8°
N1C5C4H41.2°0.1°
C4C5N1S185.7°45.0°
C4C5N1HN139.5°135.0°
C5C4C1H4180.0°179.9°
C5C4C1C31.7°0.1°
C5C4C1H1178.3°179.9°
N1S1O3O2118.6°112.6°
N1S1O3O1114.2°112.6°
N1S1O2O1113.3°123.1°
N1S1O3HO3180.0°180.0°
HN1N1S1O360.6°115.0°
HN1N1S1O263.4°2.4°
HN1N1S1O1179.2°132.4°
O3S1O2O1129.8°123.2°
O2S1O3HO361.4°67.4°
O1S1O3HO365.8°67.4°
C4C1C3C7179.1°179.5°
C4C1C3H1180.0°179.9°
H4C4C1C3178.4°180.0°
H4C4C1H11.7°0.0°
C3C7H71H72117.8°119.3°
C7C3C1H10.9°0.5°
C1C3C7H7193.2°79.7°
C1C3C7H7216.3°39.6°
O4C10C12C131.0°0.0°
O4C10C12H121124.3°120.1°
O4C10C12H122126.2°120.0°
C10C12C13H121125.3°120.0°
C10C12C13H122125.3°120.0°
C10C12H121H122116.8°119.9°
C10C12C13C14171.2°180.0°
C10C12C13H13145.9°60.0°
C10C12C13H13263.5°60.0°
C13C12H121H122116.8°120.0°
C12C13C14H131125.3°119.9°
C12C13C14H132125.3°120.0°
C12C13H131H132118.6°120.0°
C12C13C14C1694.7°90.0°
C12C13C14C1783.5°90.3°
H121C12C13C1463.5°60.0°
H121C12C13H131171.2°180.0°
H121C12C13H13261.8°60.0°
H122C12C13C1446.0°60.0°
H122C12C13H13179.3°60.0°
H122C12C13H132171.3°180.0°
C14C13H131H132118.7°120.1°
C13C14C16C17178.2°179.7°
C13C14C16C19179.9°180.0°
C13C14C16H160.1°0.1°
C13C14C17C18179.9°179.8°
C13C14C17H170.1°0.2°
H131C13C14C16140.0°29.9°
H131C13C14C1741.8°149.8°
H132C13C14C1630.6°150.0°
H132C13C14C17151.2°29.7°
C14C16C19H16180.0°180.0°
C14C16C19C150.8°0.0°
C14C16C19H19179.2°180.0°
C16C14C17C181.9°0.5°
C16C14C17H17178.1°179.9°
C17C14C16C191.7°0.3°
C17C14C16H16178.3°179.7°
C14C17C18C151.2°0.5°
C14C17C18H17180.0°179.5°
C14C17C18N3179.6°179.8°
C16C19C15H19180.0°180.0°
C16C19C15C180.2°0.0°
C16C19C15H15179.9°180.0°
H16C16C19C15179.1°180.0°
H16C16C19H190.9°0.0°
C19C15C18H15180.0°179.9°
C19C15C18C170.3°0.3°
C19C15C18N3179.5°180.0°
H19C19C15C18179.9°180.0°
H19C19C15H150.1°0.1°
C15C18C17N3179.2°179.7°
C15C18C17H17178.8°180.0°
C15C18N3S239.3°44.9°
C15C18N3HN3164.5°135.0°
H15C15C18C17179.7°179.8°
H15C15C18N30.6°0.1°
C17C18N3S2139.9°134.7°
C17C18N3HN314.6°45.3°
N3C18C17H170.4°0.3°
C18N3S2HN3125.3°180.0°
C18N3S2O580.3°65.0°
C18N3S2O640.0°177.7°
C18N3S2O7156.8°47.6°
N3S2O5O6122.0°112.6°
N3S2O5O7119.1°112.6°
N3S2O6O7117.0°123.1°
N3S2O5HO5180.0°180.0°
HN3N3S2O5154.4°115.0°
HN3N3S2O685.2°2.4°
HN3N3S2O731.5°132.4°
O5S2O6O7122.9°123.2°
O6S2O5HO558.0°67.4°
O7S2O5HO560.9°67.4°

226262

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