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GS6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC1sing1.72Å1.74Å
C1C2doub1.40Å1.41ÅAromatic
C1C10sing1.39Å1.42ÅAromatic
C2C3sing1.41Å1.43ÅAromatic
C2H2sing1.09Å1.10Å
C3C4doub1.40Å1.42ÅAromatic
C3S2sing1.72Å1.69ÅAromatic
C4C5sing1.44Å1.43ÅAromatic
C4C9sing1.42Å1.42ÅAromatic
C5C6doub1.37Å1.43ÅAromatic
C5H5sing1.08Å1.10Å
C9C10doub1.40Å1.42ÅAromatic
C9H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C6S1sing1.77Å1.73Å
C6S2sing1.70Å1.73ÅAromatic
S1O2doub1.45Å1.42Å
S1O1doub1.45Å1.43Å
S1N1sing1.70Å1.63Å
N1C12sing1.47Å1.48Å
N1H1sing1.03Å1.02Å
C12C13sing1.52Å1.54Å
C12C15sing1.51Å1.53Å
C12H12sing1.09Å1.11Å
C13C14sing1.52Å1.54Å
C13H131sing1.09Å1.11Å
C13H132sing1.10Å1.11Å
C14N2sing1.44Å1.47Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.11Å
C15O3doub1.22Å1.22Å
C15N2sing1.39Å1.35Å
N2C16sing1.45Å1.49Å
C16C17sing1.51Å1.55Å
C16C18sing1.51Å1.52Å
C16H16sing1.09Å1.11Å
C17H171sing1.10Å1.11Å
C17H172sing1.10Å1.12Å
C17H173sing1.10Å1.12Å
C18O4doub1.23Å1.22Å
C18N3sing1.39Å1.37Å
N3C19sing1.46Å1.47Å
N3C23sing1.47Å1.49Å
C19C20sing1.52Å1.54Å
C19H191sing1.09Å1.11Å
C19H192sing1.10Å1.12Å
C20O5sing1.43Å1.43Å
C20H201sing1.09Å1.11Å
C20H202sing1.10Å1.11Å
O5C22sing1.43Å1.42Å
C22C23sing1.52Å1.53Å
C22H221sing1.10Å1.12Å
C22H222sing1.09Å1.12Å
C23H231sing1.10Å1.11Å
C23H232sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC1C2119.3°119.6°
CLC1C10120.0°119.8°
C2C1C10120.8°120.6°
C1C2C3120.5°118.9°
C1C2H2119.7°120.9°
C1C10C9119.1°120.3°
C1C10H10120.5°120.8°
C3C2H2119.7°120.2°
C2C3C4118.2°121.5°
C2C3S2127.6°127.1°
C4C3S2114.2°111.3°
C3C4C5113.1°111.2°
C3C4C9121.4°118.2°
C3S2C689.4°92.2°
C5C4C9125.5°130.5°
C4C5C6107.5°112.6°
C4C5H5126.2°124.1°
C4C9C10120.0°120.4°
C4C9H9120.0°120.1°
C6C5H5126.3°123.3°
C5C6S1119.2°132.8°
C5C6S2115.8°112.6°
C10C9H9120.0°119.5°
C9C10H10120.4°118.9°
S1C6S2125.0°114.5°
C6S1O2106.7°108.0°
C6S1O1110.6°106.9°
C6S1N1111.0°101.8°
O2S1O1117.8°120.2°
O2S1N1108.6°109.3°
O1S1N1102.2°109.1°
S1N1C12124.6°120.1°
S1N1H1117.7°119.0°
C12N1H1117.7°115.9°
N1C12C13113.0°111.4°
N1C12C15118.2°106.8°
N1C12H12106.8°110.4°
C13C12C15104.6°104.1°
C13C12H12106.8°112.4°
C12C13C14105.7°104.3°
C12C13H131113.6°114.1°
C12C13H132113.6°109.1°
C15C12H12106.8°111.5°
C12C15O3125.4°124.8°
C12C15N2109.1°107.1°
C14C13H131113.6°112.4°
C14C13H132113.6°109.0°
C13C14N2105.6°103.4°
C13C14H141113.7°112.3°
C13C14H142113.7°112.0°
H131C13H13296.9°107.9°
N2C14H141113.6°110.6°
N2C14H142113.7°108.4°
C14N2C15113.4°112.9°
C14N2C16124.0°121.4°
H141C14H14296.8°110.0°
O3C15N2125.5°128.0°
C15N2C16122.6°125.3°
N2C16C17113.1°112.3°
N2C16C18111.9°104.4°
N2C16H16107.7°108.6°
C17C16C18108.6°110.8°
C17C16H16107.7°111.9°
C16C17H171113.1°111.8°
C16C17H172110.9°110.3°
C16C17H173110.9°111.1°
C18C16H16107.7°108.5°
C16C18O4117.7°119.4°
C16C18N3119.2°116.5°
H171C17H172110.9°107.5°
H171C17H173110.9°107.6°
H172C17H17399.4°108.4°
O4C18N3123.1°124.1°
C18N3C19117.6°120.0°
C18N3C23125.6°125.4°
C19N3C23116.8°114.3°
N3C19C20113.2°110.4°
N3C19H191110.8°111.2°
N3C19H192110.9°106.5°
N3C23C22114.8°110.2°
N3C23H231110.3°106.4°
N3C23H232110.3°111.3°
C20C19H191110.9°110.5°
C20C19H192110.8°110.1°
C19C20O5109.9°110.2°
C19C20H201112.1°110.1°
C19C20H202112.0°111.3°
H191C19H19299.5°108.1°
O5C20H201112.0°108.0°
O5C20H202112.1°109.3°
C20O5C22111.6°111.0°
H201C20H20298.4°107.9°
O5C22C23110.9°110.4°
O5C22H221111.7°109.2°
O5C22H222111.7°107.9°
C23C22H221111.7°111.3°
C23C22H222111.7°110.1°
C22C23H231110.3°110.2°
C22C23H232110.3°110.5°
H221C22H22298.7°107.9°
H231C23H232100.0°108.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC1C2C10179.3°180.0°
CLC1C2C3179.1°180.0°
CLC1C2H20.9°0.0°
CLC1C10C9178.8°180.0°
CLC1C10H101.2°0.0°
C1C2C3H2180.0°179.9°
C1C2C3C40.5°0.0°
C1C2C3S2179.3°180.0°
C2C1C10C90.5°0.0°
C2C1C10H10179.5°180.0°
C10C1C2C30.2°0.0°
C10C1C2H2179.8°179.9°
C1C10C9C40.1°0.0°
C1C10C9H10180.0°180.0°
C1C10C9H9179.9°180.0°
C2C3C4S2179.0°180.0°
C2C3C4C5179.8°180.0°
C2C3C4C90.9°0.0°
C2C3S2C6179.6°180.0°
H2C2C3C4179.5°179.9°
H2C2C3S20.7°0.0°
C3C4C5C9178.8°180.0°
C3C4C5C61.1°0.0°
C3C4C5H5178.8°179.9°
C3C4C9C100.6°0.0°
C3C4C9H9179.3°180.0°
C4C3S2C60.7°0.0°
S2C3C4C51.2°0.0°
S2C3C4C9179.9°180.0°
C3S2C6C50.0°0.1°
C3S2C6S1179.6°180.0°
C4C5C6H5180.0°179.9°
C5C4C9C10179.4°180.0°
C5C4C9H90.6°0.0°
C4C5C6S1179.0°180.0°
C4C5C6S20.6°0.1°
C9C4C5C6180.0°180.0°
C9C4C5H50.0°0.1°
C4C9C10H9180.0°180.0°
C4C9C10H10179.9°180.0°
C5C6S1S2179.6°180.0°
C5C6S1O217.8°5.0°
C5C6S1O1147.0°135.6°
C5C6S1N1100.4°110.0°
H5C5C6S11.1°0.1°
H5C5C6S2179.3°180.0°
H9C9C10H100.0°0.0°
C6S1O2O1124.9°122.9°
C6S1O2N1119.7°109.9°
C6S1O1N1118.2°109.4°
C6S1N1C1245.6°60.0°
C6S1N1H1134.4°93.9°
S2C6S1O2162.7°175.0°
S2C6S1O133.5°44.4°
S2C6S1N179.2°70.0°
O2S1O1N1118.9°127.3°
O2S1N1C1271.3°54.0°
O2S1N1H1108.7°152.1°
O1S1N1C12163.5°172.8°
O1S1N1H116.5°18.9°
S1N1C12H1180.0°154.6°
S1N1C12C13122.9°125.6°
S1N1C12C15114.5°121.4°
S1N1C12H125.7°0.0°
N1C12C13C15129.9°114.7°
N1C12C13H12117.2°124.5°
N1C12C15H12120.3°120.7°
N1C12C13C14141.4°88.0°
N1C12C13H13116.1°34.9°
N1C12C13H13293.4°155.6°
N1C12C15O340.7°75.4°
N1C12C15N2139.7°102.3°
H1N1C12C1357.1°79.8°
H1N1C12C1565.5°33.2°
H1N1C12H12174.2°154.6°
C13C12C15H12113.0°121.4°
C12C13C14H131125.3°124.1°
C12C13C14H132125.2°116.4°
C12C13H131H132119.5°121.4°
C12C13C14N26.6°27.8°
C12C13C14H141131.9°147.0°
C12C13C14H142118.6°88.7°
C13C12C15O3167.4°166.7°
C13C12C15N212.9°15.6°
C15C12C13C1411.5°26.7°
C15C12C13H131113.8°149.6°
C15C12C13H132136.8°89.7°
C12C15N2C149.3°2.4°
C12C15O3N2179.6°177.2°
C12C15N2C16170.5°175.1°
H12C12C13C14101.5°147.5°
H12C12C13H131133.3°89.6°
H12C12C13H13223.8°31.2°
H12C12C15O379.6°45.3°
H12C12C15N2100.0°137.0°
C14C13H131H132119.6°120.2°
C13C14N2H141125.3°120.4°
C13C14N2H142125.3°119.0°
C13C14H141H142119.6°125.4°
C13C14N2C151.6°19.3°
C13C14N2C16178.2°167.6°
H131C13C14N2118.6°151.9°
H131C13C14H1416.6°88.9°
H131C13C14H142116.1°35.4°
H132C13C14N2131.9°88.5°
H132C13C14H141102.9°30.6°
H132C13C14H1426.6°155.0°
N2C14H141H142119.6°119.7°
C14N2C15O3171.1°175.2°
C14N2C15C16179.7°172.7°
C14N2C16C1744.5°63.6°
C14N2C16C1878.5°56.6°
C14N2C16H16163.4°172.1°
H141C14N2C15123.7°139.7°
H141C14N2C1656.6°47.3°
H142C14N2C15126.9°99.7°
H142C14N2C1652.9°73.4°
O3C15N2C169.2°2.5°
C15N2C16C17135.2°124.3°
C15N2C16C18101.8°115.6°
C15N2C16H1616.3°0.0°
N2C16C17C18124.8°116.3°
N2C16C17H16118.9°122.5°
N2C16C18H16118.2°115.7°
N2C16C17H171180.0°115.9°
N2C16C17H17254.7°124.6°
N2C16C17H17354.7°4.4°
N2C16C18O417.6°94.3°
N2C16C18N3161.9°85.6°
C17C16C18H16116.3°123.2°
C16C17H171H172125.3°121.2°
C16C17H171H173125.2°122.3°
C16C17H172H173116.8°121.8°
C17C16C18O4107.9°26.9°
C17C16C18N372.6°153.3°
C18C16C17H17155.2°0.5°
C18C16C17H17270.1°119.1°
C18C16C17H173179.5°120.7°
C16C18O4N3179.5°179.8°
C16C18N3C19177.2°179.8°
C16C18N3C232.0°6.3°
H16C16C17H17161.1°121.7°
H16C16C17H172173.6°2.1°
H16C16C17H17364.1°118.1°
H16C16C18O4135.8°150.0°
H16C16C18N343.7°30.1°
H171C17H172H173116.8°116.0°
O4C18N3C193.3°0.0°
O4C18N3C23177.5°173.8°
C18N3C19C23179.3°174.5°
C18N3C19C20145.9°135.1°
C18N3C19H19120.7°12.1°
C18N3C19H19288.8°105.4°
C18N3C23C22149.0°135.7°
C18N3C23H23185.7°104.8°
C18N3C23H23223.7°12.8°
N3C19C20H191125.3°123.4°
N3C19C20H192125.3°117.3°
N3C19H191H192116.7°116.5°
N3C19C20O550.2°54.8°
N3C19C20H20175.1°173.8°
N3C19C20H202175.5°66.6°
C19N3C23C2231.8°50.1°
C19N3C23H23193.5°69.4°
C19N3C23H232157.1°173.1°
C23N3C19C2034.8°50.4°
C23N3C19H191160.1°173.4°
C23N3C19H19290.5°69.1°
N3C23C22O543.7°54.4°
N3C23C22H231125.3°117.2°
N3C23C22H232125.3°123.4°
N3C23C22H221169.0°67.1°
N3C23C22H22281.6°173.3°
N3C23H231H232116.1°119.7°
C20C19H191H192116.7°120.6°
C19C20O5H201125.3°120.3°
C19C20O5H202125.2°122.6°
C19C20H201H202117.9°121.7°
C19C20O5C2265.1°61.7°
H191C19C20O5175.4°178.1°
H191C19C20H20150.2°62.8°
H191C19C20H20259.3°56.7°
H192C19C20O575.1°62.5°
H192C19C20H201159.6°56.5°
H192C19C20H20250.2°176.1°
O5C20H201H202118.0°117.9°
C20O5C22C2361.6°61.6°
C20O5C22H221173.1°61.2°
C20O5C22H22263.6°178.1°
H201C20O5C2260.2°178.0°
H202C20O5C22169.7°61.0°
O5C22C23H221125.3°121.5°
O5C22C23H222125.2°119.0°
O5C22H221H222117.6°117.0°
O5C22C23H23181.6°62.8°
O5C22C23H232169.0°177.8°
C23C22H221H222117.6°120.9°
C22C23H231H232116.1°120.8°
H221C22C23H23143.7°175.7°
H221C22C23H23265.8°56.3°
H222C22C23H231153.2°56.2°
H222C22C23H23243.7°63.2°

222415

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