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GSI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL1C1sing1.74Å1.74Å
C1C2doub1.44Å1.44ÅAromatic
C1S2sing1.70Å1.70ÅAromatic
C2C3sing1.43Å1.43ÅAromatic
C3C4doub1.44Å1.44ÅAromatic
S2C4sing1.72Å1.72ÅAromatic
C4C5sing1.46Å1.46Å
C5C6sing1.35Å1.35Å
C6S1sing1.74Å1.74Å
S1O2doub1.42Å1.42Å
S1O1doub1.42Å1.42Å
S1N1sing1.61Å1.61Å
N1C12sing1.44Å1.44Å
C12C13sing1.53Å1.53Å
C12C50sing1.52Å1.52Å
C13C14sing1.53Å1.53Å
C14N2sing1.46Å1.46Å
C50O3doub1.22Å1.22Å
C50N2sing1.34Å1.34Å
N2C15sing1.37Å1.37Å
C15C21sing1.42Å1.42ÅAromatic
C15C22doub1.40Å1.40ÅAromatic
C21C24doub1.41Å1.41ÅAromatic
C24C27sing1.41Å1.41ÅAromatic
C27C26doub1.42Å1.42ÅAromatic
C27N4sing1.40Å1.40ÅAromatic
C26C22sing1.40Å1.40ÅAromatic
C22F1sing1.35Å1.35Å
N4C9sing1.37Å1.37ÅAromatic
N4C8sing1.36Å1.36ÅAromatic
C9C7doub1.42Å1.42ÅAromatic
C7N3sing1.36Å1.36ÅAromatic
N3C8doub1.35Å1.35ÅAromatic
C8C10sing1.52Å1.52Å
C10N5sing1.48Å1.48Å
N5C11sing1.47Å1.47Å
N5C16sing1.47Å1.47Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C5H5C1sing1.10Å1.10Å
C5H5C2sing1.10Å1.10Å
C6H6C1sing1.10Å1.10Å
C6H6C2sing1.10Å1.10Å
N1H1sing1.00Å1.00Å
C12H12sing1.10Å1.10Å
C13H131sing1.10Å1.10Å
C13H132sing1.10Å1.10Å
C14H141sing1.10Å1.10Å
C14H142sing1.10Å1.10Å
C21H21sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C10H101sing1.10Å1.10Å
C10H102sing1.10Å1.10Å
C11H111sing1.10Å1.10Å
C11H112sing1.10Å1.10Å
C11H113sing1.10Å1.10Å
C16H161sing1.10Å1.10Å
C16H162sing1.10Å1.10Å
C16H163sing1.10Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL1C1C2123.1°123.1°
CL1C1S2122.2°122.2°
C2C1S2114.7°114.7°
C1C2C3109.1°109.1°
C1C2H2125.5°125.5°
C1S2C491.5°91.5°
C2C3C4112.3°112.3°
C3C2H2125.4°125.4°
C2C3H3123.9°123.9°
C3C4S2112.4°112.4°
C3C4C5121.5°121.5°
C4C3H3123.8°123.8°
S2C4C5126.1°126.1°
C4C5C6124.8°124.8°
C4C5H5C1104.7°104.7°
C4C5H5C2101.1°101.1°
C5C6S1113.3°113.3°
C6C5H5C1104.7°104.7°
C6C5H5C2101.1°101.1°
C5C6H6C1108.2°108.2°
C5C6H6C2107.4°107.4°
C6S1O2106.7°106.7°
C6S1O1107.0°107.0°
C6S1N1108.7°108.7°
S1C6H6C1108.2°108.2°
S1C6H6C2107.3°107.3°
O2S1O1125.1°125.1°
O2S1N199.9°99.9°
O1S1N1108.7°108.7°
S1N1C12122.1°122.1°
S1N1H1105.5°105.4°
N1C12C13109.9°109.9°
N1C12C50111.4°111.4°
C12N1H1105.4°105.4°
N1C12H12106.4°106.4°
C13C12C50104.7°104.7°
C12C13C14101.6°101.6°
C13C12H12113.0°113.0°
C12C13H131112.2°112.2°
C12C13H132113.8°113.8°
C12C50O3126.3°126.3°
C12C50N2108.7°108.7°
C50C12H12111.5°111.5°
C13C14N2106.0°106.0°
C14C13H131112.1°112.1°
C14C13H132113.8°113.8°
C13C14H141110.6°110.6°
C13C14H142111.4°111.4°
C14N2C50112.0°112.0°
C14N2C15123.6°123.6°
N2C14H141110.6°110.6°
N2C14H142111.4°111.4°
O3C50N2125.0°125.0°
C50N2C15124.4°124.4°
N2C15C21119.2°119.2°
N2C15C22120.7°120.7°
C21C15C22120.1°120.1°
C15C21C24118.2°118.2°
C15C21H21120.9°120.9°
C15C22C26122.0°122.0°
C15C22F1118.4°118.4°
C21C24C27121.1°121.1°
C24C21H21120.9°120.9°
C21C24H24119.5°119.5°
C24C27C26120.5°120.5°
C24C27N4121.6°121.6°
C27C24H24119.4°119.4°
C26C27N4117.9°117.9°
C27C26C22118.1°118.1°
C27C26H26120.9°120.9°
C27N4C9122.5°122.5°
C27N4C8129.3°129.3°
C26C22F1119.6°119.6°
C22C26H26121.0°121.0°
C9N4C8108.2°108.2°
N4C9C7107.3°107.3°
N4C9H9126.3°126.3°
N4C8N3108.7°108.7°
N4C8C10127.2°127.2°
C9C7N3106.1°106.1°
C7C9H9126.3°126.3°
C9C7H7126.9°126.9°
C7N3C8109.6°109.6°
N3C7H7126.9°126.9°
N3C8C10124.1°124.1°
C8C10N5113.1°113.1°
C8C10H101108.3°108.3°
C8C10H102107.4°107.4°
C10N5C11111.3°111.3°
C10N5C16109.3°109.3°
N5C10H101108.3°108.3°
N5C10H102107.4°107.4°
C11N5C16110.2°110.2°
N5C11H111109.5°109.5°
N5C11H112109.5°109.5°
N5C11H113109.4°109.4°
N5C16H161109.5°109.5°
N5C16H162109.5°109.4°
N5C16H163109.4°109.4°
H5C1C5H5C2122.4°122.4°
H6C1C6H6C2112.5°112.5°
H131C13H132103.6°103.7°
H141C14H142106.9°106.9°
H101C10H102112.4°112.4°
H111C11H112109.5°109.5°
H111C11H113109.5°109.5°
H112C11H113109.5°109.5°
H161C16H162109.5°109.5°
H161C16H163109.4°109.4°
H162C16H163109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL1C1C2S2178.6°178.6°
CL1C1C2C3178.8°178.8°
CL1C1S2C4178.7°178.7°
CL1C1C2H21.2°1.2°
C1C2C3H2180.0°180.0°
C1C2C3C40.3°0.3°
C2C1S2C40.1°0.1°
C1C2C3H3179.7°179.7°
S2C1C2C30.2°0.2°
C1S2C4C30.1°0.1°
C1S2C4C5179.4°179.4°
S2C1C2H2179.7°179.7°
C2C3C4H3180.0°180.0°
C2C3C4S20.3°0.3°
C2C3C4C5179.3°179.3°
C3C4S2C5179.6°179.6°
C3C4C5C6169.5°169.5°
C4C3C2H2179.7°179.7°
C3C4C5H5C149.5°49.5°
C3C4C5H5C278.6°78.6°
S2C4C5C610.1°10.1°
S2C4C3H3179.8°179.8°
S2C4C5H5C1130.1°130.1°
S2C4C5H5C2101.9°101.9°
C4C5C6H5C1120.0°120.0°
C4C5C6H5C2112.0°112.0°
C4C5C6S1179.8°179.8°
C5C4C3H30.7°0.7°
C4C5H5C1H5C2113.7°113.7°
C4C5C6H6C159.8°59.8°
C4C5C6H6C261.9°61.9°
C5C6S1H6C1120.0°120.0°
C5C6S1H6C2118.3°118.3°
C5C6S1O2134.5°134.5°
C5C6S1O11.4°1.4°
C5C6S1N1118.6°118.6°
C6C5H5C1H5C2113.7°113.7°
C5C6H6C1H6C2118.4°118.4°
C6S1O2O1125.6°125.6°
C6S1O2N1113.1°113.1°
C6S1O1N1117.2°117.2°
C6S1N1C1262.8°62.8°
S1C6C5H5C160.2°60.2°
S1C6C5H5C267.8°67.8°
S1C6H6C1H6C2118.4°118.4°
C6S1N1H1177.2°177.2°
O2S1O1N1117.3°117.3°
O2S1N1C12174.3°174.3°
O2S1C6H6C114.5°14.5°
O2S1C6H6C2107.2°107.2°
O2S1N1H165.7°65.7°
O1S1N1C1253.3°53.3°
O1S1C6H6C1121.5°121.5°
O1S1C6H6C2116.9°116.9°
O1S1N1H166.7°66.7°
S1N1C12H1120.0°120.0°
S1N1C12C13135.8°135.8°
S1N1C12C50108.7°108.7°
N1S1C6H6C1121.4°121.4°
N1S1C6H6C20.3°0.3°
S1N1C12H1213.1°13.1°
N1C12C13C50119.8°119.8°
N1C12C13H12118.7°118.7°
N1C12C50H12118.7°118.7°
N1C12C13C14145.0°145.0°
N1C12C50O342.1°42.1°
N1C12C50N2137.4°137.4°
N1C12C13H13195.0°95.0°
N1C12C13H13222.2°22.3°
C13C12C50H12122.5°122.5°
C12C13C14H131120.0°120.0°
C12C13C14H132122.8°122.7°
C12C13C14N223.9°23.9°
C13C12C50O3160.8°160.8°
C13C12C50N218.7°18.7°
C13C12N1H115.7°15.8°
C12C13H131H132123.2°123.2°
C12C13C14H14196.1°96.1°
C12C13C14H142145.2°145.2°
C50C12C13C1425.2°25.2°
C12C50N2C143.1°3.1°
C12C50O3N2179.4°179.4°
C12C50N2C15176.2°176.2°
C50C12N1H1131.3°131.4°
C50C12C13H131145.2°145.2°
C50C12C13H13297.5°97.5°
C13C14N2H141120.0°120.0°
C13C14N2H142121.3°121.3°
C13C14N2C5013.8°13.8°
C13C14N2C15166.9°166.9°
C14C13C12H1296.3°96.3°
C14C13H131H132123.1°123.2°
C13C14H141H142121.4°121.4°
C14N2C50O3176.4°176.4°
C14N2C50C15179.4°179.4°
C14N2C15C2152.9°52.9°
C14N2C15C22127.4°127.4°
N2C14C13H131143.9°143.9°
N2C14C13H13298.9°98.9°
N2C14H141H142121.4°121.4°
O3C50N2C154.3°4.3°
O3C50C12H1276.7°76.7°
C50N2C15C21126.4°126.4°
C50N2C15C2253.3°53.3°
N2C50C12H12103.9°103.9°
C50N2C14H141106.2°106.2°
C50N2C14H142135.1°135.1°
N2C15C21C22179.7°179.7°
N2C15C21C24179.8°179.8°
N2C15C22C26179.4°179.4°
N2C15C22F10.4°0.4°
C15N2C14H14173.1°73.1°
C15N2C14H14245.6°45.6°
N2C15C21H210.2°0.2°
C15C21C24H21180.0°180.0°
C15C21C24C271.0°1.0°
C21C15C22C260.9°0.9°
C21C15C22F1179.9°179.9°
C15C21C24H24179.0°179.0°
C22C15C21C240.1°0.1°
C15C22C26C270.6°0.6°
C15C22C26F1178.9°178.9°
C22C15C21H21179.9°179.9°
C15C22C26H26179.4°179.4°
C21C24C27H24180.0°180.0°
C21C24C27C261.3°1.3°
C21C24C27N4179.6°179.6°
C24C27C26N4179.2°179.2°
C24C27C26C220.5°0.5°
C24C27N4C969.4°69.4°
C24C27N4C8111.2°111.2°
C27C24C21H21179.0°179.0°
C24C27C26H26179.5°179.5°
C27C26C22H26180.0°180.0°
C27C26C22F1179.6°179.6°
C26C27N4C9109.7°109.7°
C26C27N4C869.7°69.7°
C26C27C24H24178.7°178.7°
N4C27C26C22179.6°179.6°
C27N4C9C8179.5°179.5°
C27N4C9C7179.1°179.1°
C27N4C8N3179.2°179.2°
C27N4C8C100.0°0.0°
N4C27C24H240.4°0.4°
N4C27C26H260.4°0.4°
C27N4C9H90.9°0.9°
F1C22C26H260.4°0.4°
N4C9C7H9180.0°180.0°
N4C9C7N30.4°0.4°
C9N4C8N30.3°0.3°
C9N4C8C10179.4°179.4°
N4C9C7H7179.6°179.6°
C8N4C9C70.4°0.4°
N4C8N3C70.0°0.0°
N4C8N3C10179.1°179.1°
N4C8C10N5138.6°138.6°
C8N4C9H9179.6°179.6°
N4C8C10H10118.6°18.6°
N4C8C10H102103.0°103.0°
C9C7N3H7180.0°180.0°
C9C7N3C80.2°0.2°
C7N3C8C10179.2°179.2°
N3C7C9H9179.6°179.6°
N3C8C10N542.4°42.4°
C8N3C7H7179.7°179.7°
N3C8C10H101162.5°162.5°
N3C8C10H10276.0°76.0°
C8C10N5H101120.0°120.0°
C8C10N5H102118.4°118.4°
C8C10N5C1165.2°65.2°
C8C10N5C16172.9°172.9°
C8C10H101H102118.5°118.5°
C10N5C11C16121.4°121.4°
N5C10H101H102118.5°118.5°
C10N5C11H111162.2°162.2°
C10N5C11H11242.2°42.2°
C10N5C11H11377.8°77.8°
C10N5C16H16183.9°83.9°
C10N5C16H16236.1°36.1°
C10N5C16H163156.2°156.2°
C11N5C10H10154.8°54.8°
C11N5C10H102176.4°176.4°
N5C11H111H112120.0°120.0°
N5C11H111H113120.0°120.0°
N5C11H112H113120.0°120.0°
C11N5C16H16138.7°38.7°
C11N5C16H162158.7°158.7°
C11N5C16H16381.2°81.2°
C16N5C10H10167.1°67.1°
C16N5C10H10254.5°54.5°
C16N5C11H11176.4°76.4°
C16N5C11H112163.6°163.6°
C16N5C11H11343.6°43.6°
N5C16H161H162120.0°120.0°
N5C16H161H163120.0°120.0°
N5C16H162H163120.0°120.0°
H2C2C3H30.3°0.3°
H5C1C5C6H6C1179.8°179.8°
H5C1C5C6H6C258.1°58.1°
H5C2C5C6H6C152.2°52.2°
H5C2C5C6H6C2173.9°173.9°
H1N1C12H12107.0°106.9°
H12C12C13H13123.7°23.7°
H12C12C13H132140.9°141.0°
H131C13C14H14123.9°23.9°
H131C13C14H14294.8°94.8°
H132C13C14H141141.1°141.1°
H132C13C14H14222.4°22.4°
H21C21C24H241.0°1.0°
H9C9C7H70.4°0.4°
H111C11H112H113120.0°120.0°
H161C16H162H163120.0°120.0°

219869

PDB entries from 2024-05-15

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