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5Y6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C2doub1.22Å1.21Å
C2O30sing1.34Å1.33Å
C2N3sing1.34Å1.34Å
O30C5sing1.45Å1.45Å
CLC12sing1.74Å1.74Å
C6C5sing1.53Å1.53Å
C6C7sing1.53Å1.53Å
N3C4sing1.47Å1.47Å
C5C4sing1.54Å1.54Å
C5C10sing1.53Å1.52Å
C7N8sing1.47Å1.47Å
C12C14doub1.38Å1.38ÅAromatic
C12C11sing1.39Å1.41ÅAromatic
C10C9sing1.53Å1.53Å
N8C11sing1.39Å1.40Å
N8C9sing1.47Å1.47Å
C14N15sing1.32Å1.33ÅAromatic
C11C17doub1.40Å1.43ÅAromatic
N15C16doub1.32Å1.32ÅAromatic
C17C16sing1.39Å1.39ÅAromatic
C17C18sing1.48Å1.48Å
C19C18doub1.39Å1.39ÅAromatic
C19C20sing1.39Å1.38ÅAromatic
C18C29sing1.39Å1.40ÅAromatic
C21C20sing1.52Å1.51Å
C21S22sing1.83Å1.81Å
C20C27doub1.38Å1.39ÅAromatic
C29C28doub1.37Å1.38ÅAromatic
O24S22doub1.42Å1.42Å
S22O23doub1.42Å1.42Å
S22N25sing1.66Å1.66Å
C27C28sing1.41Å1.42ÅAromatic
C27N25sing1.40Å1.40Å
N25C26sing1.46Å1.46Å
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C16H7sing1.08Å1.08Å
C19H8sing1.08Å1.08Å
C21H9sing1.09Å1.10Å
C21H10sing1.09Å1.10Å
N3H11sing0.97Å1.00Å
C9H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
C10H14sing1.09Å1.10Å
C10H15sing1.09Å1.10Å
C14H16sing1.08Å1.08Å
C26H17sing1.09Å1.10Å
C26H18sing1.09Å1.10Å
C26H19sing1.09Å1.10Å
C28H20sing1.08Å1.08Å
C29H21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C2O30121.9°123.1°
O1C2N3124.4°123.1°
O30C2N3113.7°113.8°
C2O30C5108.7°109.3°
C2N3C4109.2°108.8°
C2N3H11125.4°125.5°
O30C5C6109.8°110.7°
O30C5C4104.8°104.4°
O30C5C10107.1°110.7°
CLC12C14118.1°120.4°
CLC12C11123.1°120.4°
C5C6C7112.4°109.3°
C6C5C4111.4°110.2°
C6C5C10111.5°110.4°
C5C6H3108.7°109.5°
C5C6H4108.7°109.5°
C6C7N8111.6°109.5°
C7C6H3108.7°109.5°
C7C6H4108.7°109.5°
C6C7H5108.9°109.5°
C6C7H6108.9°109.5°
N3C4C5102.2°103.6°
N3C4H1111.3°110.6°
N3C4H2111.3°110.7°
C4N3H11125.4°125.6°
C4C5C10111.9°110.2°
C5C4H1111.3°110.6°
C5C4H2111.3°110.6°
C5C10C9112.6°109.3°
C5C10H14108.7°109.5°
C5C10H15108.7°109.5°
C7N8C11121.1°111.1°
C7N8C9117.7°111.2°
N8C7H5108.9°109.4°
N8C7H6109.0°109.4°
C14C12C11118.8°119.2°
C12C14N15122.2°121.1°
C12C14H16118.9°119.5°
C12C11N8121.9°120.9°
C12C11C17117.1°118.2°
C10C9N8111.6°109.5°
C10C9H12109.0°109.5°
C10C9H13108.9°109.5°
C9C10H14108.7°109.5°
C9C10H15108.7°109.5°
C11N8C9121.1°111.0°
N8C11C17121.0°120.9°
N8C9H12108.9°109.5°
N8C9H13109.0°109.5°
C14N15C16121.6°122.0°
N15C14H16118.9°119.4°
C11C17C16119.7°118.8°
C11C17C18121.4°120.6°
N15C16C17120.6°120.7°
N15C16H7119.7°119.6°
C16C17C18119.0°120.6°
C17C16H7119.7°119.7°
C17C18C19119.1°120.4°
C17C18C29121.8°120.5°
C18C19C20120.9°120.7°
C19C18C29119.1°119.1°
C18C19H8119.6°119.7°
C19C20C21125.5°126.7°
C19C20C27121.1°120.6°
C20C19H8119.6°119.6°
C18C29C28119.9°120.0°
C18C29H21120.1°120.0°
C20C21S22100.4°102.4°
C21C20C27113.4°112.7°
C20C21H9111.7°110.8°
C20C21H10111.7°110.8°
C21S22O24110.1°111.5°
C21S22O23111.2°111.5°
C21S22N2598.1°97.8°
S22C21H9111.7°110.8°
S22C21H10111.7°110.8°
C20C27C28117.8°118.3°
C20C27N25116.9°118.1°
C29C28C27121.2°121.3°
C29C28H20119.4°119.3°
C28C29H21120.0°120.0°
O24S22O23122.6°121.9°
O24S22N25104.7°105.5°
O23S22N25107.0°105.4°
S22N25C27107.1°108.9°
S22N25C26125.9°125.5°
C28C27N25125.2°123.6°
C27C28H20119.4°119.4°
C27N25C26126.9°125.6°
N25C26H17109.5°109.4°
N25C26H18109.4°109.5°
N25C26H19109.5°109.5°
H1C4H2109.5°110.5°
H3C6H4109.5°109.5°
H5C7H6109.5°109.5°
H9C21H10109.4°110.9°
H12C9H13109.5°109.4°
H14C10H15109.5°109.5°
H17C26H18109.5°109.5°
H17C26H19109.4°109.5°
H18C26H19109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C2O30N3179.7°179.6°
O1C2O30C5171.9°179.7°
O1C2N3C4179.7°179.7°
O1C2N3H110.3°0.3°
C2O30C5C6108.1°118.5°
O30C2N3C40.0°0.1°
C2O30C5C411.7°0.0°
C2O30C5C10130.7°118.7°
O30C2N3H11180.0°180.0°
N3C2O30C57.8°0.1°
C2N3C4H11180.0°180.0°
C2N3C4C57.1°0.0°
C2N3C4H1125.9°118.6°
C2N3C4H2111.7°118.6°
O30C5C6C4115.6°115.0°
O30C5C6C10118.5°123.0°
O30C5C6C7171.0°179.3°
O30C5C4N311.0°0.0°
O30C5C4C10115.7°119.0°
O30C5C10C9172.7°179.4°
O30C5C4H1129.8°118.5°
O30C5C4H2107.8°118.7°
O30C5C6H350.6°59.4°
O30C5C6H468.6°60.7°
O30C5C10H1466.8°60.7°
O30C5C10H1552.3°59.4°
CLC12C14C11179.6°179.9°
CLC12C11N80.9°0.2°
CLC12C14N15179.8°180.0°
CLC12C11C17179.9°180.0°
CLC12C14H160.2°0.0°
C5C6C7H3120.4°119.9°
C5C6C7H4120.4°120.0°
C6C5C4N3107.6°118.9°
C6C5C4C10125.6°122.1°
C5C6C7N849.5°58.3°
C6C5C10C952.6°56.4°
C6C5C4H111.2°122.5°
C6C5C4H2133.6°0.2°
C5C6H3H4118.7°120.1°
C5C6C7H5169.8°178.3°
C5C6C7H670.9°61.7°
C6C5C10H14173.0°176.3°
C6C5C10H1567.9°63.6°
C7C6C5C473.4°65.6°
C7C6C5C1052.5°56.3°
C6C7N8H5120.3°120.0°
C6C7N8H6120.3°120.0°
C6C7N8C11134.9°173.7°
C6C7N8C949.1°62.1°
C7C6H3H4118.7°120.1°
C6C7H5H6119.0°120.1°
N3C4C5H1118.8°118.5°
N3C4C5H2118.8°118.7°
N3C4C5C10126.8°119.0°
N3C4H1H2123.4°123.0°
C4C5C10C973.0°65.6°
C5C4H1H2123.4°122.9°
C4C5C6H3166.2°174.5°
C4C5C6H447.0°54.4°
C5C4N3H11172.9°180.0°
C4C5C10H1447.5°54.4°
C4C5C10H15166.6°174.4°
C5C10C9H14120.4°119.9°
C5C10C9H15120.4°120.0°
C5C10C9N849.7°58.4°
C10C5C4H1114.4°0.4°
C10C5C4H28.0°122.3°
C10C5C6H368.0°63.6°
C10C5C6H4172.9°176.3°
C5C10C9H1270.7°178.4°
C5C10C9H13170.0°61.7°
C5C10H14H15118.6°120.0°
C7N8C11C1265.1°60.2°
C7N8C9C1049.1°62.1°
C7N8C11C9175.9°124.3°
C7N8C11C17114.0°120.0°
N8C7C6H370.9°61.6°
N8C7C6H4169.9°178.3°
N8C7H5H6119.0°119.9°
C7N8C9H1271.2°177.9°
C7N8C9H13169.5°57.9°
C14C12C11N8179.5°179.8°
C12C14N15H16180.0°180.0°
C14C12C11C170.3°0.1°
C12C14N15C160.1°0.0°
C12C11N8C17179.2°179.8°
C12C11N8C9118.9°64.1°
C11C12C14N150.2°0.0°
C12C11C17C160.2°0.1°
C12C11C17C18179.8°180.0°
C11C12C14H16179.8°179.9°
C10C9N8C11134.8°173.7°
C10C9N8H12120.3°120.0°
C10C9N8H13120.3°120.1°
C10C9H12H13119.0°120.0°
C9C10H14H15118.6°120.1°
N8C11C17C16179.5°179.8°
N8C11C17C180.6°0.2°
C11N8C7H514.5°53.7°
C11N8C7H6104.8°66.3°
C11N8C9H12104.9°53.7°
C11N8C9H1314.5°66.3°
C9N8C11C1761.9°115.7°
C9N8C7H5169.4°177.9°
C9N8C7H671.2°57.9°
N8C9H12H13119.0°120.0°
N8C9C10H14170.1°178.3°
N8C9C10H1570.8°61.6°
C14N15C16C170.1°0.0°
C14N15C16H7179.9°180.0°
C11C17C16N150.1°0.1°
C11C17C16C18180.0°179.9°
C11C17C18C1962.0°130.3°
C11C17C18C29116.5°49.9°
C11C17C16H7179.9°180.0°
N15C16C17H7180.0°180.0°
N15C16C17C18179.9°180.0°
C16N15C14H16179.9°180.0°
C16C17C18C19118.0°49.8°
C16C17C18C2963.5°130.0°
C17C18C19C29178.6°179.8°
C17C18C19C20179.2°180.0°
C17C18C29C28179.2°180.0°
C18C17C16H70.1°0.0°
C17C18C19H80.8°0.0°
C17C18C29H210.8°0.0°
C18C19C20H8180.0°180.0°
C18C19C20C21179.9°180.0°
C18C19C20C270.2°0.0°
C19C18C29C280.6°0.2°
C19C18C29H21179.4°179.7°
C20C19C18C290.6°0.2°
C19C20C21C27179.9°179.9°
C19C20C21S22167.1°179.9°
C19C20C27C280.3°0.3°
C19C20C27N25179.2°180.0°
C19C20C21H974.4°61.7°
C19C20C21H1048.6°61.8°
C18C29C28H21180.0°179.9°
C18C29C28C270.2°0.0°
C29C18C19H8179.4°179.7°
C18C29C28H20179.8°180.0°
C20C21S22H9118.5°118.3°
C20C21S22H10118.5°118.2°
C20C21S22O2491.1°110.2°
C20C21S22O23129.7°110.0°
C20C21S22N2517.9°0.0°
C21C20C27C28179.6°179.8°
C21C20C27N250.7°0.0°
C21C20C19H80.1°0.1°
C20C21H9H10124.2°123.5°
S22C21C20C2712.8°0.0°
C21S22O24O23133.7°135.0°
C21S22O24N25104.5°105.2°
C21S22O23N25106.0°105.1°
C21S22N25C2718.5°0.0°
C21S22N25C26163.5°179.7°
S22C21H9H10124.2°123.5°
C20C27C28C290.2°0.3°
C20C27N25S2213.3°0.0°
C20C27C28N25178.8°179.8°
C20C27N25C26168.7°179.7°
C27C20C19H8179.9°180.0°
C27C20C21H9105.7°118.2°
C27C20C21H10131.3°118.3°
C20C27C28H20179.8°179.7°
C29C28C27H20180.0°180.0°
C29C28C27N25179.1°180.0°
O24S22O23N25120.7°119.9°
O24S22N25C2794.9°115.0°
O24S22N25C2683.1°64.8°
O24S22C21H9150.4°131.6°
O24S22C21H1027.5°8.1°
O23S22N25C27133.7°114.9°
O23S22N25C2648.3°65.4°
O23S22C21H911.2°8.3°
O23S22C21H10111.7°131.8°
S22N25C27C28165.5°179.8°
S22N25C27C26178.0°179.7°
N25S22C21H9100.6°118.3°
N25S22C21H10136.5°118.2°
S22N25C26H170.0°179.8°
S22N25C26H18120.0°60.3°
S22N25C26H19120.0°59.7°
C28C27N25C2612.5°0.0°
C27C28C29H21179.8°180.0°
C27N25C26H17177.6°0.1°
C27N25C26H1857.6°120.0°
C27N25C26H1962.4°120.0°
N25C27C28H200.9°0.0°
N25C26H17H18120.0°120.0°
N25C26H17H19120.0°120.0°
N25C26H18H19120.0°120.0°
H1C4N3H1154.1°61.5°
H2C4N3H1168.3°61.4°
H3C6C7H549.4°58.4°
H3C6C7H6168.7°178.4°
H4C6C7H569.8°61.7°
H4C6C7H649.6°58.3°
H12C9C10H1449.8°61.7°
H12C9C10H15168.9°58.4°
H13C9C10H1469.6°58.2°
H13C9C10H1549.5°178.3°
H17C26H18H19120.0°120.0°
H20C28C29H210.2°0.0°

222926

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