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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL1C1sing1.71Å1.73Å
C1C2doub1.38Å1.40ÅAromatic
C1S6sing1.71Å1.71ÅAromatic
C2C3sing1.43Å1.42ÅAromatic
C2H2sing1.08Å1.10Å
C3C4doub1.38Å1.40ÅAromatic
C3H3sing1.08Å1.10Å
C4C9sing1.42Å1.48ÅAromatic
C4S6sing1.71Å1.71ÅAromatic
C9C8doub1.38Å1.40ÅAromatic
C9S3sing1.71Å1.71ÅAromatic
C8C7sing1.42Å1.40ÅAromatic
C8H8sing1.08Å1.10Å
C7C6doub1.37Å1.40ÅAromatic
C7H7sing1.08Å1.10Å
C6S1sing1.77Å1.79Å
C6S3sing1.71Å1.73ÅAromatic
S1O2doub1.45Å1.44Å
S1O1doub1.45Å1.44Å
S1N1sing1.70Å1.61Å
N1C12sing1.47Å1.46Å
N1H1sing1.03Å1.02Å
C12C13sing1.52Å1.53Å
C12C15sing1.51Å1.52Å
C12H12sing1.09Å1.11Å
C13C14sing1.52Å1.53Å
C13H131sing1.09Å1.12Å
C13H132sing1.10Å1.12Å
C14N2sing1.44Å1.46Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.12Å
C15O3doub1.22Å1.22Å
C15N2sing1.39Å1.36Å
N2C16sing1.45Å1.50Å
C16C17sing1.51Å1.55Å
C16C18sing1.51Å1.54Å
C16H16sing1.09Å1.11Å
C17H171sing1.10Å1.12Å
C17H172sing1.10Å1.11Å
C17H173sing1.10Å1.11Å
C18O4doub1.23Å1.23Å
C18N3sing1.39Å1.39Å
N3C19sing1.47Å1.48Å
N3C23sing1.46Å1.49Å
C19C20sing1.52Å1.53Å
C19H191sing1.10Å1.12Å
C19H192sing1.09Å1.11Å
C20O5sing1.43Å1.41Å
C20H201sing1.10Å1.11Å
C20H202sing1.09Å1.12Å
O5C22sing1.43Å1.40Å
C22C23sing1.52Å1.53Å
C22H221sing1.09Å1.11Å
C22H222sing1.10Å1.11Å
C23H231sing1.09Å1.11Å
C23H232sing1.10Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL1C1C2125.9°127.8°
CL1C1S6122.5°120.1°
C2C1S6111.6°112.0°
C1C2C3111.8°112.0°
C1C2H2123.7°123.7°
C1S6C492.7°91.8°
C3C2H2124.5°124.2°
C2C3C4112.7°112.0°
C2C3H3124.1°124.0°
C4C3H3123.3°123.9°
C3C4C9127.7°127.2°
C3C4S6111.2°112.1°
C9C4S6121.0°120.7°
C4C9C8125.7°127.2°
C4C9S3123.8°120.7°
C8C9S3110.2°112.1°
C9C8C7113.3°112.0°
C9C8H8123.4°123.9°
C9S3C693.5°91.5°
C7C8H8123.4°124.1°
C8C7C6112.9°111.8°
C8C7H7123.7°124.5°
C6C7H7123.4°123.7°
C7C6S1126.8°132.9°
C7C6S3110.1°112.6°
S1C6S3123.1°114.4°
C6S1O2102.7°108.0°
C6S1O1112.2°106.9°
C6S1N1103.5°101.8°
O2S1O1119.7°120.2°
O2S1N1111.7°109.3°
O1S1N1106.0°109.1°
S1N1C12117.3°120.1°
S1N1H1109.4°119.0°
C12N1H1109.4°115.9°
N1C12C13114.1°111.4°
N1C12C15111.7°106.8°
N1C12H12102.6°110.4°
C13C12C15102.0°104.1°
C13C12H12112.2°112.4°
C12C13C14105.0°104.3°
C12C13H131113.9°114.1°
C12C13H132113.9°109.1°
C15C12H12114.6°111.5°
C12C15O3123.4°124.8°
C12C15N2110.0°107.1°
C14C13H131113.9°112.4°
C14C13H132113.9°109.0°
C13C14N2103.7°103.4°
C13C14H141114.4°112.3°
C13C14H142114.4°112.0°
H131C13H13296.6°107.9°
N2C14H141114.4°110.6°
N2C14H142114.4°108.4°
C14N2C15111.9°112.9°
C14N2C16124.4°121.4°
H141C14H14296.1°110.0°
O3C15N2126.5°128.0°
C15N2C16123.7°125.3°
N2C16C17115.6°112.3°
N2C16C18112.6°104.4°
N2C16H16102.6°108.7°
C17C16C18109.3°110.7°
C17C16H16106.5°111.9°
C16C17H171110.0°111.9°
C16C17H172110.0°110.3°
C16C17H173115.6°111.1°
C18C16H16109.8°108.5°
C16C18O4117.3°119.4°
C16C18N3120.0°116.5°
H171C17H172100.2°107.6°
H171C17H173110.0°107.5°
H172C17H173110.0°108.3°
O4C18N3122.6°124.1°
C18N3C19116.8°125.4°
C18N3C23124.9°120.0°
C19N3C23118.3°114.3°
N3C19C20115.6°110.2°
N3C19H191110.0°106.4°
N3C19H192110.0°111.3°
N3C23C22114.2°110.4°
N3C23H231110.5°111.2°
N3C23H232110.5°106.4°
C20C19H191110.0°110.2°
C20C19H192110.0°110.4°
C19C20O5111.9°110.4°
C19C20H201111.3°111.4°
C19C20H202111.3°110.1°
H191C19H192100.2°108.1°
O5C20H201111.3°109.2°
O5C20H202111.3°107.9°
C20O5C22113.8°111.0°
H201C20H20299.0°107.8°
O5C22C23109.1°110.2°
O5C22H221112.4°107.9°
O5C22H222112.4°109.2°
C23C22H221112.3°110.1°
C23C22H222112.3°111.4°
C22C23H231110.5°110.4°
C22C23H232110.5°110.1°
H221C22H22298.1°107.9°
H231C23H23299.8°108.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL1C1C2S6178.6°180.0°
CL1C1C2C3177.8°180.0°
CL1C1C2H22.3°0.1°
CL1C1S6C4178.7°180.0°
C1C2C3H2180.0°179.9°
C1C2C3C41.5°0.1°
C1C2C3H3178.5°180.0°
C2C1S6C40.1°0.0°
S6C1C2C30.8°0.1°
S6C1C2H2179.2°179.9°
C1S6C4C30.9°0.0°
C1S6C4C9176.8°180.0°
C2C3C4H3180.0°180.0°
C2C3C4C9177.1°180.0°
C2C3C4S61.6°0.1°
H2C2C3C4178.4°180.0°
H2C2C3H31.6°0.1°
C3C4C9S6175.1°179.9°
C3C4C9C8172.3°150.0°
C3C4C9S315.0°29.9°
H3C3C4C92.9°0.0°
H3C3C4S6178.4°180.0°
C4C9C8S3173.6°179.9°
C4C9C8C7176.8°179.9°
C4C9C8H83.2°0.1°
C4C9S3C6176.2°179.9°
S6C4C9C812.6°30.1°
S6C4C9S3160.1°150.1°
C9C8C7H8180.0°180.0°
C9C8C7C62.4°0.0°
C9C8C7H7177.7°180.0°
C8C9S3C62.5°0.0°
S3C9C8C73.2°0.0°
S3C9C8H8176.8°180.0°
C9S3C6C71.2°0.0°
C9S3C6S1179.1°180.0°
C8C7C6H7180.0°180.0°
C8C7C6S1179.3°180.0°
C8C7C6S30.5°0.0°
H8C8C7C6177.6°180.0°
H8C8C7H72.3°0.0°
C7C6S1S3179.7°180.0°
C7C6S1O2163.9°5.0°
C7C6S1O134.1°135.6°
C7C6S1N179.7°110.0°
H7C7C6S10.7°0.0°
H7C7C6S3179.6°180.0°
C6S1O2O1125.1°122.9°
C6S1O2N1110.3°109.9°
C6S1O1N1112.2°109.4°
C6S1N1C1270.6°60.0°
C6S1N1H154.7°93.9°
S3C6S1O216.4°175.0°
S3C6S1O1146.2°44.4°
S3C6S1N1100.0°70.0°
O2S1O1N1127.3°127.3°
O2S1N1C1239.2°54.0°
O2S1N1H1164.5°152.1°
O1S1N1C12171.2°172.8°
O1S1N1H163.6°18.9°
S1N1C12H1125.3°154.6°
S1N1C12C13116.3°125.6°
S1N1C12C15128.6°121.4°
S1N1C12H125.4°0.0°
N1C12C13C15120.7°114.7°
N1C12C13H12116.2°124.5°
N1C12C15H12116.1°120.7°
N1C12C13C14146.7°88.0°
N1C12C13H13121.4°34.9°
N1C12C13H13288.1°155.6°
N1C12C15O341.3°75.4°
N1C12C15N2140.3°102.3°
H1N1C12C13118.4°79.8°
H1N1C12C153.3°33.2°
H1N1C12H12119.9°154.6°
C13C12C15H12121.5°121.4°
C12C13C14H131125.3°124.1°
C12C13C14H132125.3°116.4°
C12C13H131H132119.8°121.4°
C12C13C14N225.4°27.8°
C12C13C14H141150.6°147.0°
C12C13C14H14299.9°88.7°
C13C12C15O3163.6°166.7°
C13C12C15N218.0°15.6°
C15C12C13C1426.0°26.7°
C15C12C13H13199.3°149.6°
C15C12C13H132151.2°89.7°
C12C15N2C142.1°2.4°
C12C15O3N2178.1°177.2°
C12C15N2C16175.9°175.1°
H12C12C13C1497.2°147.5°
H12C12C13H131137.6°89.6°
H12C12C13H13228.1°31.2°
H12C12C15O374.9°45.3°
H12C12C15N2103.6°137.0°
C14C13H131H132119.8°120.2°
C13C14N2H141125.2°120.4°
C13C14N2H142125.2°119.0°
C13C14H141H142120.3°125.4°
C13C14N2C1514.8°19.3°
C13C14N2C16167.3°167.6°
H131C13C14N299.9°151.9°
H131C13C14H14125.3°88.9°
H131C13C14H142134.8°35.4°
H132C13C14N2150.6°88.5°
H132C13C14H14184.1°30.6°
H132C13C14H14225.4°155.0°
N2C14H141H142120.3°119.7°
C14N2C15O3179.5°175.2°
C14N2C15C16178.0°172.7°
C14N2C16C1740.5°116.5°
C14N2C16C1886.1°123.5°
C14N2C16H16155.9°7.9°
H141C14N2C15140.0°139.7°
H141C14N2C1642.0°47.3°
H142C14N2C15110.5°99.7°
H142C14N2C1667.5°73.4°
O3C15N2C162.5°2.5°
C15N2C16C17137.3°55.7°
C15N2C16C1896.1°64.4°
C15N2C16H1621.9°180.0°
N2C16C17C18128.3°116.3°
N2C16C17H16113.2°122.6°
N2C16C18H16113.7°115.8°
N2C16C17H17154.8°115.7°
N2C16C17H17254.7°124.5°
N2C16C17H173180.0°4.4°
N2C16C18O421.3°4.2°
N2C16C18N3156.5°175.6°
C17C16C18H16116.4°123.1°
C16C17H171H172115.8°121.3°
C16C17H171H173128.4°122.2°
C16C17H172H173128.4°121.8°
C17C16C18O4108.6°116.9°
C17C16C18N373.6°63.3°
C18C16C17H17173.5°0.5°
C18C16C17H172177.0°119.2°
C18C16C17H17351.7°120.7°
C16C18O4N3177.8°179.7°
C16C18N3C19176.8°0.3°
C16C18N3C230.0°174.1°
H16C16C17H171167.9°121.7°
H16C16C17H17258.4°2.0°
H16C16C17H17366.8°118.1°
H16C16C18O4135.0°119.9°
H16C16C18N342.9°59.8°
H171C17H172H173115.8°115.9°
O4C18N3C190.9°180.0°
O4C18N3C23177.8°6.2°
C18N3C19C23177.1°174.1°
C18N3C19C20162.0°135.7°
C18N3C19H19172.7°104.8°
C18N3C19H19236.8°12.8°
C18N3C23C22156.0°135.1°
C18N3C23H23130.8°12.1°
C18N3C23H23278.7°105.4°
N3C19C20H191125.3°117.2°
N3C19C20H192125.3°123.5°
N3C19H191H192115.8°119.7°
N3C19C20O534.9°54.3°
N3C19C20H201160.1°67.2°
N3C19C20H20290.4°173.4°
C19N3C23C2227.2°50.4°
C19N3C23H231152.4°173.4°
C19N3C23H23298.1°69.1°
C23N3C19C2020.9°50.1°
C23N3C19H191104.4°69.3°
C23N3C19H192146.2°173.1°
N3C23C22O547.3°54.8°
N3C23C22H231125.3°123.4°
N3C23C22H232125.3°117.3°
N3C23C22H22177.9°173.8°
N3C23C22H222172.6°66.6°
N3C23H231H232116.3°116.5°
C20C19H191H192115.8°120.8°
C19C20O5H201125.3°122.8°
C19C20O5H202125.3°120.4°
C19C20H201H202117.2°120.9°
C19C20O5C2259.7°61.6°
H191C19C20O590.4°62.8°
H191C19C20H20134.9°175.7°
H191C19C20H202144.3°56.2°
H192C19C20O5160.1°177.8°
H192C19C20H20174.6°56.3°
H192C19C20H20234.9°63.2°
O5C20H201H202117.2°116.9°
C20O5C22C2365.7°61.7°
C20O5C22H22159.6°178.1°
C20O5C22H222169.1°61.0°
H201C20O5C22175.1°61.2°
H202C20O5C2265.6°178.1°
O5C22C23H221125.3°118.9°
O5C22C23H222125.3°121.4°
O5C22H221H222118.3°117.9°
O5C22C23H231172.6°178.2°
O5C22C23H23277.9°62.5°
C23C22H221H222118.2°121.7°
C22C23H231H232116.3°120.6°
H221C22C23H23147.3°62.9°
H221C22C23H232156.8°56.5°
H222C22C23H23162.1°56.8°
H222C22C23H23247.3°176.1°

223532

PDB entries from 2024-08-07

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