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701

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL1C1sing1.71Å1.81Å
C1C2doub1.38Å1.39Å
C2C3sing1.42Å1.41Å
C3C4doub1.36Å1.40Å
C4C9sing1.45Å1.50Å
C9C8sing1.51Å1.50Å
S1O2doub1.45Å1.44Å
S1O1doub1.45Å1.43Å
S1N1sing1.72Å1.59Å
N1C12sing1.47Å1.46Å
C12C13sing1.52Å1.54Å
C13C14sing1.52Å1.54Å
C12C15sing1.51Å1.50Å
C15O3doub1.22Å1.23Å
C14N2sing1.44Å1.47Å
C15N2sing1.39Å1.33Å
N2C16sing1.45Å1.46Å
C16C17sing1.51Å1.53Å
C16C18sing1.51Å1.50Å
C18O4doub1.23Å1.22Å
C18N3sing1.39Å1.34Å
N3C19sing1.47Å1.47Å
C19C20sing1.52Å1.51Å
C20O5sing1.43Å1.43Å
O5C22sing1.43Å1.42Å
N3C23sing1.46Å1.46Å
C22C23sing1.52Å1.52Å
C1S6sing1.71Å1.74Å
C4S6sing1.70Å1.79Å
C9C6doub1.35Å1.36Å
S1C6sing1.73Å1.60Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C8H8C1sing1.10Å1.10Å
C8H8C2sing1.10Å1.10Å
C8H8C3sing1.09Å1.10Å
C6H6sing1.09Å1.08Å
N1H1sing1.03Å1.00Å
C12H12sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.10Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C17H171sing1.10Å1.10Å
C17H172sing1.10Å1.10Å
C17H173sing1.10Å1.10Å
C19H191sing1.10Å1.10Å
C19H192sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H232sing1.10Å1.10Å
C20H201sing1.10Å1.10Å
C20H202sing1.09Å1.10Å
C22H221sing1.09Å1.10Å
C22H222sing1.10Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL1C1C2127.5°127.8°
CL1C1S6116.4°120.1°
C1C2C3109.9°112.0°
C2C1S6116.1°112.0°
C1C2H2125.1°123.7°
C2C3C4114.6°111.0°
C3C2H2125.1°124.3°
C2C3H3122.7°124.1°
C3C4C9130.6°127.4°
C3C4S6111.0°114.1°
C4C3H3122.7°124.9°
C4C9C8119.5°120.8°
C9C4S6118.3°118.4°
C4C9C6116.2°115.7°
C8C9C6124.3°123.5°
C9C8H8C1109.5°110.2°
C9C8H8C2109.5°110.0°
C9C8H8C3109.4°113.3°
O2S1O1110.1°119.6°
O2S1N1110.4°108.1°
O2S1C6104.3°108.3°
O1S1N1108.3°107.4°
O1S1C6111.7°107.7°
S1N1C12119.2°118.1°
N1S1C6112.0°104.7°
S1N1H1106.4°115.7°
N1C12C13113.9°111.4°
N1C12C15113.6°106.8°
C12N1H1106.4°113.6°
N1C12H12101.7°110.4°
C12C13C14107.4°104.3°
C13C12C15103.8°104.1°
C13C12H12111.9°112.4°
C12C13H131110.2°114.1°
C12C13H132110.6°109.1°
C13C14N2100.1°103.4°
C14C13H131110.2°112.4°
C14C13H132110.6°109.0°
C13C14H141112.7°112.3°
C13C14H142114.6°112.0°
C12C15O3124.8°124.8°
C12C15N2107.6°107.1°
C15C12H12112.2°111.5°
O3C15N2127.6°128.0°
C14N2C15118.2°112.9°
C14N2C16118.7°121.4°
N2C14H141112.7°110.6°
N2C14H142114.6°108.4°
C15N2C16123.2°125.3°
N2C16C17109.9°112.3°
N2C16C18112.6°104.4°
N2C16H16108.0°108.7°
C17C16C18112.1°110.7°
C17C16H16108.5°111.9°
C16C17H171109.5°111.9°
C16C17H172109.5°110.3°
C16C17H173109.5°111.1°
C16C18O4118.7°119.4°
C16C18N3118.6°116.5°
C18C16H16105.6°108.5°
O4C18N3122.6°124.1°
C18N3C19124.4°125.4°
C18N3C23120.0°120.0°
N3C19C20106.2°110.2°
C19N3C23115.6°114.3°
N3C19H191110.6°106.4°
N3C19H192111.3°111.3°
C19C20O5108.6°110.4°
C20C19H191110.6°110.2°
C20C19H192111.3°110.4°
C19C20H201109.8°111.4°
C19C20H202109.9°110.1°
C20O5C22110.6°111.0°
O5C20H201109.7°109.2°
O5C20H202109.9°107.9°
O5C22C23105.9°110.2°
O5C22H221110.7°107.9°
O5C22H222111.5°109.2°
N3C23C22105.3°110.4°
N3C23H231110.9°111.2°
N3C23H232111.8°106.4°
C22C23H231110.9°110.4°
C22C23H232111.8°110.1°
C23C22H221110.7°110.1°
C23C22H222111.4°111.4°
C1S6C488.4°90.8°
C9C6S1127.6°121.1°
C9C6H6116.2°122.2°
S1C6H6116.2°116.6°
H8C1C8H8C2109.5°108.1°
H8C1C8H8C3109.5°108.8°
H8C2C8H8C3109.5°106.3°
H131C13H132107.9°107.9°
H141C14H142102.6°110.0°
H171C17H172109.5°107.6°
H171C17H173109.5°107.5°
H172C17H173109.5°108.3°
H191C19H192107.0°108.1°
H231C23H232106.3°108.1°
H201C20H202108.8°107.8°
H221C22H222106.8°107.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL1C1C2S6179.4°179.9°
CL1C1C2C3179.4°179.9°
CL1C1S6C4179.8°180.0°
CL1C1C2H20.5°0.1°
C1C2C3H2180.0°179.9°
C1C2C3C41.1°0.0°
C2C1S6C40.7°0.0°
C1C2C3H3178.9°180.0°
C2C3C4H3180.0°180.0°
C2C3C4C9178.4°179.9°
C3C2C1S61.1°0.0°
C2C3C4S60.6°0.1°
C3C4C9S6177.6°179.9°
C3C4C9C8155.3°90.7°
C3C4S6C10.0°0.1°
C3C4C9C625.1°90.0°
C4C3C2H2178.9°179.9°
C4C9C8C6179.6°179.3°
C9C4S6C1178.1°179.9°
C4C9C6S1178.6°178.3°
C9C4C3H31.6°0.1°
C4C9C8H8C194.5°84.6°
C4C9C8H8C225.5°34.4°
C4C9C8H8C3145.5°153.2°
C4C9C6H61.4°0.1°
C8C9C4S627.1°89.5°
C8C9C6S11.0°1.0°
C9C8H8C1H8C2120.0°120.2°
C9C8H8C1H8C3119.9°124.8°
C9C8H8C2H8C3120.0°123.0°
C8C9C6H6179.0°179.4°
O2S1O1N1120.8°123.6°
O2S1O1C6115.3°124.1°
O2S1N1C6115.8°115.3°
O2S1N1C1241.4°35.9°
O2S1C6C9177.0°64.9°
O2S1C6H63.0°113.7°
O2S1N1H178.6°175.3°
O1S1N1C6123.6°114.3°
O1S1N1C12162.1°166.2°
O1S1C6C964.1°65.9°
O1S1C6H6115.9°115.6°
O1S1N1H142.0°54.3°
S1N1C12H1120.0°140.3°
S1N1C12C13128.4°95.6°
S1N1C12C15113.0°151.4°
N1S1C6C957.5°180.0°
N1S1C6H6122.5°1.5°
S1N1C12H127.8°30.0°
N1C12C13C15124.1°114.7°
N1C12C13H12114.7°124.5°
N1C12C13C14141.1°88.0°
N1C12C15H12114.7°120.7°
N1C12C15O341.0°75.4°
N1C12C15N2139.4°102.3°
C12N1S1C674.3°79.4°
N1C12C13H13198.9°34.9°
N1C12C13H13220.3°155.6°
C12C13C14H131120.0°124.1°
C12C13C14H132120.8°116.4°
C13C12C15H12121.0°121.4°
C13C12C15O3165.2°166.7°
C12C13C14N212.3°27.8°
C13C12C15N215.2°15.6°
C13C12N1H18.4°124.1°
C12C13H131H132120.8°121.4°
C12C13C14H141107.6°147.0°
C12C13C14H142135.5°88.7°
C14C13C12C1517.0°26.7°
C13C14N2H141120.0°120.4°
C13C14N2H142123.2°119.0°
C13C14N2C152.9°19.3°
C13C14N2C16177.9°167.6°
C14C13C12H12104.2°147.5°
C14C13H131H132120.9°120.2°
C13C14H141H142123.8°125.4°
C12C15O3N2179.5°177.2°
C12C15N2C148.1°2.4°
C12C15N2C16171.1°175.1°
C15C12N1H1127.0°11.1°
C15C12C13H131137.0°149.6°
C15C12C13H132103.8°89.7°
O3C15N2C14172.4°175.2°
O3C15N2C168.4°2.5°
O3C15C12H1273.7°45.3°
C14N2C15C16179.2°172.7°
C14N2C16C1780.7°116.5°
C14N2C16C1845.0°123.5°
N2C14C13H131132.3°151.9°
N2C14C13H132108.5°88.5°
N2C14H141H142123.8°119.7°
C14N2C16H16161.1°7.9°
C15N2C16C1798.5°55.7°
C15N2C16C18135.8°64.4°
N2C15C12H12105.8°137.0°
C15N2C14H141117.1°139.7°
C15N2C14H142126.1°99.7°
C15N2C16H1619.7°180.0°
N2C16C17C18126.0°116.3°
N2C16C17H16117.8°122.6°
N2C16C18H16117.5°115.8°
N2C16C18O4115.5°4.2°
N2C16C18N361.7°175.6°
C16N2C14H14162.1°47.3°
C16N2C14H14254.7°73.4°
N2C16C17H171128.8°115.7°
N2C16C17H1728.8°124.5°
N2C16C17H173111.2°4.4°
C17C16C18H16118.0°123.1°
C17C16C18O49.0°116.9°
C17C16C18N3173.8°63.3°
C16C17H171H172120.0°121.3°
C16C17H171H173120.0°122.2°
C16C17H172H173120.0°121.8°
C16C18O4N3177.0°179.7°
C16C18N3C195.1°0.3°
C16C18N3C23177.7°174.1°
C18C16C17H171105.2°0.5°
C18C16C17H172134.7°119.2°
C18C16C17H17314.8°120.7°
O4C18N3C19172.0°180.0°
O4C18N3C235.3°6.2°
O4C18C16H16127.0°119.9°
C18N3C19C23177.3°174.1°
C18N3C19C20126.9°135.7°
C18N3C23C22122.9°135.1°
N3C18C16H1655.8°59.8°
C18N3C19H191113.1°104.8°
C18N3C19H1925.7°12.8°
C18N3C23H2312.9°12.1°
C18N3C23H232115.5°105.4°
N3C19C20H191120.0°117.2°
N3C19C20H192121.3°123.5°
N3C19C20O555.0°54.3°
C19N3C23C2259.6°50.4°
N3C19H191H192121.3°119.7°
C19N3C23H231179.6°173.4°
C19N3C23H23261.9°69.1°
N3C19C20H201175.1°67.2°
N3C19C20H20265.3°173.4°
C19C20O5H201120.0°122.8°
C19C20O5H202120.3°120.4°
C19C20O5C2266.7°61.6°
C20C19N3C2355.7°50.1°
C20C19H191H192121.3°120.8°
C19C20H201H202120.3°120.9°
C20O5C22C2369.8°61.7°
O5C20C19H19164.9°62.8°
O5C20C19H192176.3°177.8°
O5C20H201H202120.3°116.9°
C20O5C22H221170.2°178.1°
C20O5C22H22251.5°61.0°
O5C22C23N362.5°54.8°
O5C22C23H221120.0°118.9°
O5C22C23H222121.4°121.4°
O5C22C23H231177.5°178.2°
O5C22C23H23259.1°62.5°
C22O5C20H201173.3°61.2°
C22O5C20H20253.7°178.1°
O5C22H221H222121.5°117.9°
N3C23C22H231120.0°123.4°
N3C23C22H232121.6°117.3°
C23N3C19H19164.3°69.3°
C23N3C19H192177.0°173.1°
N3C23H231H232121.7°116.5°
N3C23C22H221177.5°173.8°
N3C23C22H22258.9°66.6°
C22C23H231H232121.7°120.6°
C23C22H221H222121.4°121.7°
S6C1C2H2178.9°179.8°
S6C4C9C6152.5°89.8°
S6C4C3H3179.4°179.9°
C9C6S1H6180.0°178.5°
C6C9C8H8C185.9°94.6°
C6C9C8H8C2154.0°146.3°
C6C9C8H8C334.0°27.5°
C6S1N1H1165.6°60.0°
H2C2C3H31.1°0.1°
H8C1C8H8C2H8C3120.0°116.6°
H1N1C12H12112.2°110.3°
H12C12C13H13115.8°89.6°
H12C12C13H132135.0°31.2°
H131C13C14H14112.4°88.9°
H131C13C14H142104.5°35.4°
H132C13C14H141131.5°30.6°
H132C13C14H14214.7°155.0°
H16C16C17H17110.9°121.7°
H16C16C17H172109.1°2.0°
H16C16C17H173130.9°118.1°
H171C17H172H173120.0°115.9°
H191C19C20H20155.1°175.7°
H191C19C20H202174.7°56.2°
H192C19C20H20163.7°56.3°
H192C19C20H20256.0°63.2°
H231C23C22H22157.5°62.9°
H231C23C22H22261.1°56.8°
H232C23C22H22160.9°56.5°
H232C23C22H222179.5°176.1°

224931

PDB entries from 2024-09-11

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