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GSQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC13sing1.72Å1.75Å
C13C14sing1.39Å1.42ÅAromatic
C13C10doub1.40Å1.42ÅAromatic
C14C11doub1.40Å1.41ÅAromatic
C14H14sing1.09Å1.10Å
C11C6sing1.40Å1.42ÅAromatic
C11H11sing1.08Å1.10Å
C6N1sing1.38Å1.38ÅAromatic
C6C5doub1.40Å1.45ÅAromatic
N1C1sing1.37Å1.35ÅAromatic
N1H1sing1.01Å1.02Å
C5C10sing1.41Å1.40ÅAromatic
C5C2sing1.42Å1.42ÅAromatic
C10H10sing1.09Å1.10Å
C2C1doub1.38Å1.40ÅAromatic
C2H2sing1.08Å1.10Å
C1S4sing1.77Å1.74Å
S4O8doub1.45Å1.43Å
S4O9doub1.45Å1.43Å
S4N7sing1.70Å1.63Å
N7C12sing1.47Å1.46Å
N7H7sing1.03Å1.02Å
C12C15sing1.51Å1.53Å
C12C16sing1.52Å1.54Å
C12H12sing1.09Å1.12Å
C15O19doub1.22Å1.23Å
C15N18sing1.39Å1.35Å
C16C20sing1.52Å1.54Å
C16H161sing1.09Å1.11Å
C16H162sing1.10Å1.11Å
C20N18sing1.44Å1.47Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.11Å
N18C21sing1.45Å1.48Å
C21C23sing1.51Å1.54Å
C21C22sing1.51Å1.53Å
C21H21sing1.09Å1.11Å
C23H231sing1.10Å1.12Å
C23H232sing1.10Å1.11Å
C23H233sing1.10Å1.11Å
C22O25doub1.23Å1.23Å
C22N24sing1.39Å1.37Å
N24C26sing1.46Å1.48Å
N24C27sing1.47Å1.47Å
C26C28sing1.52Å1.54Å
C26H261sing1.09Å1.11Å
C26H262sing1.10Å1.12Å
C28O30sing1.43Å1.43Å
C28H281sing1.09Å1.11Å
C28H282sing1.10Å1.12Å
O30C29sing1.43Å1.43Å
C29C27sing1.52Å1.53Å
C29H291sing1.10Å1.11Å
C29H292sing1.09Å1.11Å
C27H271sing1.10Å1.12Å
C27H272sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC13C14118.6°119.7°
CLC13C10119.2°119.5°
C14C13C10122.2°120.8°
C13C14C11118.4°121.0°
C13C14H14120.8°120.4°
C13C10C5120.2°119.2°
C13C10H10119.9°120.9°
C11C14H14120.8°118.6°
C14C11C6119.5°117.6°
C14C11H11120.3°121.0°
C6C11H11120.3°121.5°
C11C6N1131.8°130.2°
C11C6C5121.9°122.7°
N1C6C5106.3°107.1°
C6N1C1108.0°110.2°
C6N1H1126.0°124.8°
C6C5C10117.7°118.7°
C6C5C2109.2°107.1°
C1N1H1126.0°125.1°
N1C1C2113.5°107.9°
N1C1S4116.4°120.5°
C10C5C2133.2°134.2°
C5C10H10119.9°119.9°
C5C2C1103.1°107.7°
C5C2H2128.4°126.8°
C1C2H2128.5°125.5°
C2C1S4130.1°131.5°
C1S4O8105.3°108.0°
C1S4O9109.9°106.9°
C1S4N7112.1°101.8°
O8S4O9120.1°120.2°
O8S4N7108.6°109.3°
O9S4N7101.0°109.1°
S4N7C12125.5°120.1°
S4N7H7117.3°119.0°
C12N7H7117.2°115.9°
N7C12C15116.7°106.8°
N7C12C16111.6°111.4°
N7C12H12107.6°110.4°
C15C12C16105.3°104.1°
C15C12H12107.6°111.5°
C12C15O19126.0°124.8°
C12C15N18107.8°107.1°
C16C12H12107.7°112.4°
C12C16C20105.3°104.3°
C12C16H161113.8°114.1°
C12C16H162113.8°109.1°
O19C15N18126.3°128.0°
C15N18C20112.8°112.9°
C15N18C21122.4°125.3°
C20C16H161113.8°112.4°
C20C16H162113.8°109.0°
C16C20N18104.7°103.4°
C16C20H201114.0°112.3°
C16C20H202114.0°112.0°
H161C16H16296.7°107.9°
N18C20H201114.0°110.6°
N18C20H202114.0°108.4°
C20N18C21124.8°121.4°
H201C20H20296.4°110.0°
N18C21C23109.8°112.3°
N18C21C22116.2°104.4°
N18C21H21107.2°108.6°
C23C21C22108.8°110.8°
C23C21H21107.2°111.9°
C21C23H231109.8°111.8°
C21C23H232112.1°110.3°
C21C23H233112.1°111.1°
C22C21H21107.2°108.5°
C21C22O25119.3°119.4°
C21C22N24118.9°116.5°
H231C23H232112.1°107.5°
H231C23H233112.1°107.6°
H232C23H23398.3°108.4°
O25C22N24121.7°124.1°
C22N24C26126.9°120.0°
C22N24C27119.2°125.4°
C26N24C27114.0°114.3°
N24C26C28113.2°110.4°
N24C26H261110.8°111.2°
N24C26H262110.8°106.5°
N24C27C29110.1°110.2°
N24C27H271112.0°106.4°
N24C27H272112.0°111.3°
C28C26H261110.8°110.5°
C28C26H262110.8°110.1°
C26C28O30108.8°110.2°
C26C28H281112.5°110.1°
C26C28H282112.5°111.3°
H261C26H26299.5°108.1°
O30C28H281112.5°108.0°
O30C28H282112.4°109.3°
C28O30C29112.8°111.0°
H281C28H28298.0°107.9°
O30C29C27108.4°110.4°
O30C29H291112.6°109.2°
O30C29H292112.6°107.9°
C27C29H291112.6°111.3°
C27C29H292112.6°110.1°
C29C27H271112.0°110.2°
C29C27H272112.0°110.5°
H291C29H29297.8°107.9°
H271C27H27298.4°108.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC13C14C10179.4°180.0°
CLC13C14C11178.7°180.0°
CLC13C14H141.3°0.1°
CLC13C10C5178.7°180.0°
CLC13C10H101.3°0.1°
C13C14C11H14180.0°179.9°
C13C14C11C61.1°0.0°
C13C14C11H11178.9°179.9°
C14C13C10C51.9°0.0°
C14C13C10H10178.1°180.0°
C10C13C14C111.9°0.0°
C10C13C14H14178.1°179.9°
C13C10C5C61.1°0.0°
C13C10C5H10180.0°179.9°
C13C10C5C2179.8°180.0°
C14C11C6H11180.0°179.9°
C14C11C6N1179.6°180.0°
C14C11C6C50.4°0.0°
H14C14C11C6178.9°179.9°
H14C14C11H111.1°0.0°
C11C6N1C5179.9°180.0°
C11C6N1C1179.7°180.0°
C11C6N1H10.4°0.1°
C11C6C5C100.4°0.0°
C11C6C5C2179.7°180.0°
H11C11C6N10.4°0.1°
H11C11C6C5179.6°179.9°
C6N1C1H1180.0°179.9°
N1C6C5C10179.6°180.0°
N1C6C5C20.2°0.0°
C6N1C1C21.0°0.0°
C6N1C1S4179.6°180.0°
C5C6N1C10.4°0.0°
C5C6N1H1179.6°179.9°
C6C5C10C2179.2°180.0°
C6C5C10H10178.9°180.0°
C6C5C2C10.8°0.0°
C6C5C2H2179.2°179.9°
N1C1C2C51.1°0.0°
N1C1C2S4178.4°179.9°
N1C1C2H2178.9°179.9°
N1C1S4O815.8°175.0°
N1C1S4O9146.5°44.3°
N1C1S4N7102.1°70.1°
H1N1C1C2179.0°179.9°
H1N1C1S40.3°0.1°
C10C5C2C1180.0°180.0°
C10C5C2H20.0°0.0°
C2C5C10H100.2°0.1°
C5C2C1H2180.0°179.9°
C5C2C1S4179.5°179.9°
C2C1S4O8162.6°5.0°
C2C1S4O931.9°135.6°
C2C1S4N779.5°110.0°
H2C2C1S40.5°0.0°
C1S4O8O9124.5°122.9°
C1S4O8N7120.2°109.9°
C1S4O9N7118.5°109.4°
C1S4N7C1239.3°60.0°
C1S4N7H7140.7°93.9°
O8S4O9N7119.2°127.3°
O8S4N7C1276.6°54.0°
O8S4N7H7103.4°152.1°
O9S4N7C12156.2°172.8°
O9S4N7H723.8°18.9°
S4N7C12H7180.0°154.6°
S4N7C12C15114.5°121.4°
S4N7C12C16124.4°125.6°
S4N7C12H126.5°0.0°
N7C12C15C16124.4°117.9°
N7C12C15H12121.0°120.7°
N7C12C16H12117.9°124.5°
N7C12C15O1942.2°75.4°
N7C12C15N18138.9°102.3°
N7C12C16C20130.0°88.0°
N7C12C16H1614.7°34.9°
N7C12C16H162104.8°155.6°
H7N7C12C1565.5°33.2°
H7N7C12C1655.6°79.8°
H7N7C12H12173.5°154.6°
C15C12C16H12114.6°120.8°
C12C15O19N18178.7°177.2°
C15C12C16C202.5°26.7°
C15C12C16H161122.8°149.6°
C15C12C16H162127.7°89.7°
C12C15N18C2022.0°2.4°
C12C15N18C21156.2°175.1°
C16C12C15O19166.6°166.7°
C16C12C15N1814.5°15.6°
C12C16C20H161125.2°124.1°
C12C16C20H162125.3°116.4°
C12C16H161H162119.7°121.4°
C12C16C20N189.2°27.8°
C12C16C20H201116.0°147.0°
C12C16C20H202134.5°88.7°
H12C12C15O1978.8°45.3°
H12C12C15N18100.1°137.0°
H12C12C16C20112.1°147.5°
H12C12C16H161122.6°89.6°
H12C12C16H16213.1°31.2°
O19C15N18C20159.1°175.2°
O19C15N18C2122.7°2.5°
C15N18C20C1620.0°19.3°
C15N18C20C21178.1°173.1°
C15N18C20H201105.3°139.7°
C15N18C20H202145.2°99.7°
C15N18C21C23126.3°124.3°
C15N18C21C22109.7°115.6°
C15N18C21H2110.2°0.0°
C20C16H161H162119.7°120.2°
C16C20N18H201125.3°120.4°
C16C20N18H202125.3°119.0°
C16C20H201H202120.0°125.4°
C16C20N18C21158.2°167.6°
H161C16C20N18134.5°151.9°
H161C16C20H2019.2°88.9°
H161C16C20H202100.3°35.4°
H162C16C20N18116.0°88.5°
H162C16C20H201118.7°30.6°
H162C16C20H2029.2°155.0°
N18C20H201H202119.9°119.7°
C20N18C21C2351.6°63.6°
C20N18C21C2272.4°56.6°
C20N18C21H21167.8°172.1°
H201C20N18C2176.6°47.3°
H202C20N18C2132.9°73.4°
N18C21C23C22128.2°116.3°
N18C21C23H21116.2°122.5°
N18C21C22H21119.9°115.7°
N18C21C23H231180.0°115.9°
N18C21C23H23254.7°124.6°
N18C21C23H23354.7°4.4°
N18C21C22O2538.0°94.3°
N18C21C22N24142.5°85.6°
C23C21C22H21115.7°123.2°
C21C23H231H232125.3°121.2°
C21C23H231H233125.3°122.3°
C21C23H232H233118.0°121.8°
C23C21C22O2586.5°26.9°
C23C21C22N2493.0°153.3°
C22C21C23H23151.8°0.5°
C22C21C23H23273.4°119.1°
C22C21C23H233177.1°120.7°
C21C22O25N24179.5°179.8°
C21C22N24C2629.2°179.8°
C21C22N24C27151.7°6.3°
H21C21C23H23163.8°121.7°
H21C21C23H232170.9°2.1°
H21C21C23H23361.4°118.1°
H21C21C22O25157.8°150.0°
H21C21C22N2422.6°30.1°
H231C23H232H233118.0°116.0°
O25C22N24C26150.3°0.0°
O25C22N24C2728.8°173.8°
C22N24C26C27179.2°174.5°
C22N24C26C28132.9°135.1°
C22N24C26H2617.6°12.1°
C22N24C26H262101.8°105.4°
C22N24C27C29129.8°135.7°
C22N24C27H271105.0°104.8°
C22N24C27H2724.5°12.8°
N24C26C28H261125.3°123.4°
N24C26C28H262125.3°117.3°
N24C26H261H262116.7°116.5°
N24C26C28O3049.4°54.8°
N24C26C28H28175.9°173.8°
N24C26C28H282174.6°66.6°
C26N24C27C2949.5°50.1°
C26N24C27H27175.8°69.4°
C26N24C27H272174.7°173.1°
C27N24C26C2846.3°50.4°
C27N24C26H261171.5°173.4°
C27N24C26H26279.0°69.1°
N24C27C29O3057.3°54.4°
N24C27C29H271125.3°117.2°
N24C27C29H272125.3°123.4°
N24C27C29H291177.4°67.1°
N24C27C29H29267.9°173.3°
N24C27H271H272117.9°119.7°
C28C26H261H262116.7°120.6°
C26C28O30H281125.3°120.3°
C26C28O30H282125.2°122.6°
C26C28H281H282118.4°121.7°
C26C28O30C2960.6°61.7°
H261C26C28O30174.7°178.1°
H261C26C28H28149.4°62.8°
H261C26C28H28260.1°56.7°
H262C26C28O3075.8°62.5°
H262C26C28H281158.9°56.5°
H262C26C28H28249.4°176.1°
O30C28H281H282118.4°117.9°
C28O30C29C2765.4°61.6°
C28O30C29H291169.3°61.2°
C28O30C29H29259.8°178.1°
H281C28O30C2964.7°178.0°
H282C28O30C29174.1°61.0°
O30C29C27H291125.3°121.5°
O30C29C27H292125.3°119.0°
O30C29H291H292118.5°117.0°
O30C29C27H27167.9°62.8°
O30C29C27H272177.4°177.8°
C27C29H291H292118.5°120.9°
C29C27H271H272117.9°120.8°
H291C29C27H27157.3°175.7°
H291C29C27H27252.1°56.3°
H292C29C27H271166.8°56.2°
H292C29C27H27257.4°63.2°

223532

PDB entries from 2024-08-07

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