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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S1C7doub1.71Å1.59Å
C7N1sing1.35Å1.35Å
C7N2sing1.35Å1.34Å
N1C5sing1.49Å1.45Å
N1C1sing1.48Å1.45Å
C5C4sing1.54Å1.52Å
C5C6sing1.55Å1.51Å
C4O4sing1.43Å1.44Å
C4C3sing1.53Å1.55Å
C3O3sing1.43Å1.43Å
C3C2sing1.53Å1.53Å
C2O2sing1.43Å1.44Å
C2C1sing1.54Å1.53Å
C6O1sing1.44Å1.44Å
O1C1sing1.44Å1.44Å
N2C8sing1.46Å1.46Å
C8C9sing1.53Å1.52Å
C9C10sing1.53Å1.53Å
C10C11sing1.53Å1.51Å
C11C12sing1.53Å1.54Å
C12C13sing1.53Å1.45Å
C13C14sing1.53Å1.55Å
C14C15sing1.53Å1.49Å
N2H2sing0.97Å1.00Å
C5H5sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C6H6C1sing1.09Å1.10Å
C6H6C2sing1.09Å1.10Å
O4HAsing0.97Å0.95Å
C3H3sing1.09Å1.10Å
O3HBsing0.97Å0.95Å
C2HCsing1.09Å1.10Å
O2HDsing0.97Å0.95Å
C8H8C1sing1.09Å1.10Å
C8H8C2sing1.09Å1.10Å
C9H9C1sing1.09Å1.10Å
C9H9C2sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C15H153sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
S1C7N1122.3°120.0°
S1C7N2117.9°120.0°
N1C7N2119.8°120.0°
C7N1C5124.7°129.2°
C7N1C1125.5°129.2°
C7N2C8123.2°120.0°
C7N2H2118.4°120.0°
C5N1C1109.8°101.6°
N1C5C4101.7°106.9°
N1C5C6100.1°102.3°
N1C5H5119.6°113.0°
N1C1C2102.4°107.0°
N1C1O1101.4°105.6°
N1C1H1119.1°111.7°
C4C5C6109.3°107.5°
C5C4O4106.0°109.6°
C5C4C3114.2°108.6°
C4C5H5111.8°112.8°
C5C4H4109.1°109.6°
C5C6O1105.3°105.7°
C6C5H5113.1°113.6°
C5C6H6C1110.9°110.2°
C5C6H6C2111.8°110.2°
O4C4C3110.8°109.6°
O4C4H4112.7°109.6°
C4O4HA109.5°114.0°
C4C3O3113.0°109.4°
C4C3C2114.0°109.6°
C3C4H4104.2°109.8°
C4C3H3102.4°109.5°
O3C3C2104.7°109.4°
O3C3H3112.0°109.4°
C3O3HB109.5°113.9°
C3C2O2110.1°109.5°
C3C2C1109.4°108.9°
C2C3H3111.0°109.5°
C3C2HC111.0°109.6°
O2C2C1114.3°109.5°
O2C2HC105.6°109.5°
C2O2HD109.5°114.0°
C2C1O1110.9°107.9°
C2C1H1110.7°111.9°
C1C2HC106.4°109.7°
C6O1C1111.2°107.9°
O1C6H6C1110.9°110.2°
O1C6H6C2111.8°110.2°
O1C1H1111.6°112.4°
N2C8C9110.5°109.5°
C8N2H2118.4°120.0°
N2C8H8C1109.1°109.5°
N2C8H8C2108.9°109.4°
C8C9C10111.1°109.5°
C9C8H8C1109.1°109.5°
C9C8H8C2108.9°109.5°
C8C9H9C1108.9°109.5°
C8C9H9C2108.6°109.5°
C9C10C11113.1°109.4°
C10C9H9C1108.9°109.5°
C10C9H9C2108.6°109.5°
C9C10H101108.3°109.5°
C9C10H102107.4°109.5°
C10C11C12107.6°109.4°
C11C10H101108.3°109.5°
C11C10H102107.5°109.5°
C10C11H111110.1°109.5°
C10C11H112110.5°109.5°
C11C12C13109.2°109.5°
C12C11H111110.1°109.5°
C12C11H112110.5°109.5°
C11C12H121109.6°109.5°
C11C12H122109.6°109.5°
C12C13C14106.3°109.5°
C13C12H121109.6°109.5°
C13C12H122109.6°109.5°
C12C13H131110.5°109.5°
C12C13H132111.2°109.5°
C13C14C15108.0°109.5°
C14C13H131110.5°109.5°
C14C13H132111.2°109.5°
C13C14H141110.0°109.5°
C13C14H142110.3°109.5°
C15C14H141110.0°109.5°
C15C14H142110.3°109.4°
C14C15H151109.5°109.5°
C14C15H152109.5°109.4°
C14C15H153109.5°109.5°
H6C1C6H6C2106.3°110.2°
H8C1C8H8C2110.3°109.4°
H9C1C9H9C2110.8°109.5°
H101C10H102112.4°109.5°
H111C11H112108.0°109.5°
H121C12H122109.3°109.4°
H131C13H132107.1°109.4°
H141C14H142108.3°109.5°
H151C15H152109.5°109.5°
H151C15H153109.5°109.5°
H152C15H153109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S1C7N1N2179.7°179.7°
S1C7N1C5179.3°0.1°
S1C7N1C10.6°179.7°
S1C7N2C821.0°0.0°
S1C7N2H2159.0°179.9°
C7N1C5C1178.9°179.8°
C7N1C5C4104.4°105.2°
C7N1C5C6143.3°142.0°
C7N1C1C298.6°105.8°
C7N1C1O1146.7°139.4°
N1C7N2C8159.2°179.7°
N1C7N2H220.8°0.2°
C7N1C5H519.2°19.5°
C7N1C1H123.8°16.9°
N2C7N1C50.4°179.8°
N2C7N1C1179.1°0.0°
C7N2C8H2180.0°179.9°
C7N2C8C9163.0°180.0°
C7N2C8H8C177.0°60.0°
C7N2C8H8C243.4°60.0°
N1C5C4C6105.2°109.2°
N1C5C4H5128.8°124.8°
N1C5C6H5128.5°122.1°
N1C5C4O4174.0°174.8°
N1C5C4C351.7°65.5°
C5N1C1C282.5°74.4°
N1C5C6O124.2°23.2°
C5N1C1O132.2°40.4°
C5N1C1H1155.0°162.9°
N1C5C4H464.4°54.4°
N1C5C6H6C1144.2°142.2°
N1C5C6H6C297.4°95.9°
C1N1C5C476.8°75.0°
C1N1C5C635.5°37.8°
N1C1C2C359.1°64.7°
N1C1C2O2177.0°175.5°
N1C1C2O1107.5°113.2°
N1C1C2H1128.0°122.6°
N1C1O1C614.9°26.2°
N1C1O1H1127.8°122.0°
C1N1C5H5159.6°160.4°
N1C1C2HC60.8°55.2°
C4C5C6H5125.2°125.5°
C5C4O4C3124.4°119.1°
C5C4O4H4119.3°120.4°
C5C4C3H4119.0°119.8°
C5C4C3O3158.9°173.2°
C5C4C3C239.5°53.1°
C4C5C6O182.1°89.2°
C4C5C6H6C137.9°29.9°
C4C5C6H6C2156.3°151.8°
C5C4O4HA30.8°180.0°
C5C4C3H380.4°66.9°
C6C5C4O468.7°76.0°
C6C5C4C353.5°43.7°
C5C6O1H6C1120.0°119.1°
C5C6O1H6C2121.6°119.1°
C5C6O1C16.1°1.5°
C6C5C4H4169.7°163.6°
C5C6H6C1H6C2121.7°121.9°
O4C4C3H4121.4°120.4°
O4C4C3O381.5°67.1°
O4C4C3C2159.1°172.8°
O4C4C5H557.3°50.0°
O4C4C3H339.2°52.8°
C4C3O3C2124.6°120.1°
C4C3O3H3115.0°119.9°
C4C3C2H3115.0°120.1°
C4C3C2O2168.3°172.5°
C4C3C2C142.0°52.7°
C3C4C5H5179.5°169.7°
C3C4O4HA93.6°61.0°
C4C3O3HB53.5°180.0°
C4C3C2HC75.1°67.3°
O3C3C2H3121.1°119.9°
O3C3C2O267.7°67.5°
O3C3C2C1166.0°172.7°
O3C3C4H439.9°53.3°
O3C3C2HC48.8°52.7°
C3C2O2C1123.5°119.4°
C3C2O2HC119.8°120.2°
C3C2C1HC119.9°120.0°
C3C2C1O148.4°48.5°
C3C2C1H1172.9°172.7°
C2C3C4H479.4°66.7°
C2C3O3HB178.1°59.9°
C3C2O2HD168.2°60.0°
O2C2C1HC116.2°120.3°
O2C2C1O175.5°71.3°
O2C2C1H149.0°52.9°
O2C2C3H353.4°52.4°
C2C1O1C693.3°88.0°
C2C1O1H1124.0°123.8°
C1C2C3H373.0°67.3°
C1C2O2HD44.6°179.4°
O1C6C5H5152.7°145.3°
C6O1C1H1142.7°148.2°
O1C6H6C1H6C2121.7°121.8°
C1O1C6H6C1126.1°117.5°
C1O1C6H6C2115.5°120.6°
O1C1C2HC168.3°168.5°
N2C8C9H8C1120.0°120.0°
N2C8C9H8C2119.5°120.0°
N2C8C9C1046.1°180.0°
N2C8H8C1H8C2119.5°120.0°
N2C8C9H9C1166.0°60.0°
N2C8C9H9C273.2°60.0°
C8C9C10H9C1120.0°120.0°
C8C9C10H9C2119.3°120.0°
C8C9C10C11127.8°180.0°
C9C8N2H217.0°0.0°
C9C8H8C1H8C2119.6°120.0°
C8C9H9C1H9C2119.4°120.0°
C8C9C10H101112.1°60.0°
C8C9C10H1029.4°60.0°
C9C10C11H101120.0°120.0°
C9C10C11H102118.4°120.0°
C9C10C11C1255.1°180.0°
C10C9C8H8C173.9°60.0°
C10C9C8H8C2165.6°60.0°
C10C9H9C1H9C2119.3°120.0°
C9C10H101H102118.5°120.0°
C9C10C11H11164.9°60.0°
C9C10C11H112175.9°60.0°
C10C11C12H111120.0°120.0°
C10C11C12H112120.7°120.0°
C10C11C12C13109.1°180.0°
C11C10C9H9C17.9°60.0°
C11C10C9H9C2112.8°60.0°
C11C10H101H102118.5°120.0°
C10C11H111H112120.7°120.0°
C10C11C12H121130.9°60.0°
C10C11C12H12211.0°60.0°
C11C12C13H121120.0°120.0°
C11C12C13H122120.1°120.0°
C11C12C13C1419.2°180.0°
C12C11C10H101175.1°60.0°
C12C11C10H10263.3°60.0°
C12C11H111H112120.8°120.0°
C11C12H121H122120.1°120.0°
C11C12C13H131139.2°60.0°
C11C12C13H132102.0°60.0°
C12C13C14H131120.0°120.0°
C12C13C14H132121.2°120.1°
C12C13C14C15156.6°180.0°
C13C12C11H11110.9°60.0°
C13C12C11H112130.2°60.0°
C13C12H121H122120.1°120.0°
C12C13H131H132121.3°120.0°
C12C13C14H14136.6°60.0°
C12C13C14H14282.9°60.0°
C13C14C15H141120.0°120.0°
C13C14C15H142120.6°120.0°
C14C13C12H121100.8°60.0°
C14C13C12H122139.3°60.0°
C14C13H131H132121.3°120.0°
C13C14H141H142120.6°120.0°
C13C14C15H151123.8°60.0°
C13C14C15H1523.8°60.0°
C13C14C15H153116.2°180.0°
C15C14C13H13183.4°60.0°
C15C14C13H13235.4°60.0°
C15C14H141H142120.6°120.0°
C14C15H151H152120.0°120.0°
C14C15H151H153120.0°120.0°
C14C15H152H153120.0°120.0°
H2N2C8H8C1103.0°120.0°
H2N2C8H8C2136.6°120.1°
H5C5C4H464.3°70.3°
H5C5C6H6C187.3°95.6°
H5C5C6H6C231.1°26.2°
H1C1C2HC67.2°67.4°
H4C4O4HA150.1°59.6°
H4C4C3H3160.6°173.2°
H3C3O3HB61.5°60.1°
H3C3C2HC169.9°172.6°
HCC2O2HD72.0°60.2°
H8C1C8C9H9C146.0°180.0°
H8C1C8C9H9C2166.8°60.0°
H8C2C8C9H9C174.4°60.0°
H8C2C8C9H9C246.3°180.0°
H9C1C9C10H101127.9°180.0°
H9C1C9C10H102110.6°60.0°
H9C2C9C10H1017.2°59.9°
H9C2C9C10H102128.8°180.0°
H101C10C11H11155.1°180.0°
H101C10C11H11264.1°60.0°
H102C10C11H111176.7°60.0°
H102C10C11H11257.5°NaN°
H111C11C12H121109.1°180.0°
H111C11C12H122131.0°60.0°
H112C11C12H12110.2°60.0°
H112C11C12H122109.7°180.0°
H121C12C13H13119.2°180.0°
H121C12C13H132138.0°60.0°
H122C12C13H131100.7°60.0°
H122C12C13H13218.1°180.0°
H131C13C14H141156.6°180.0°
H131C13C14H14237.1°60.0°
H132C13C14H14184.7°60.0°
H132C13C14H142155.9°179.9°
H141C14C15H151116.2°180.0°
H141C14C15H152123.8°60.0°
H141C14C15H1533.8°60.0°
H142C14C15H1513.2°60.0°
H142C14C15H152116.8°180.0°
H142C14C15H153123.2°60.0°
H151C15H152H153120.0°120.0°

248636

PDB entries from 2026-02-04

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