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894

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20H202sing1.09Å1.12Å
C22H221sing1.09Å1.12Å
C22H222sing1.10Å1.12Å
C4C9sing1.51Å1.49Å
S1O2doub1.45Å1.43Å
S1O1doub1.45Å1.43Å
S1N1sing1.71Å1.63Å
N1C12sing1.47Å1.45Å
C12C13sing1.52Å1.54Å
C13C14sing1.52Å1.54Å
C12C15sing1.51Å1.51Å
C15O3doub1.22Å1.22Å
C14N2sing1.44Å1.47Å
C15N2sing1.39Å1.36Å
N2C16sing1.45Å1.46Å
C16C17sing1.51Å1.54Å
C16C18sing1.51Å1.53Å
C18O4doub1.23Å1.23Å
C18N3sing1.39Å1.39Å
N3C19sing1.47Å1.47Å
C19C20sing1.52Å1.53Å
C20O5sing1.43Å1.43Å
O5C22sing1.43Å1.43Å
N3C23sing1.46Å1.48Å
C22C23sing1.52Å1.54Å
C1S6sing1.71Å1.71ÅAromatic
C4S6sing1.70Å1.68ÅAromatic
C9C6sing1.52Å1.35Å
S1C6sing1.78Å1.74Å
C2H2sing1.08Å1.10Å
C3H3sing1.08Å1.10Å
C9H9C1sing1.10Å1.12Å
C9H9C2sing1.10Å1.12Å
C6H6C1sing1.09Å1.12Å
C6H6C2sing1.09Å1.11Å
N1H1sing1.03Å1.02Å
C12H12sing1.09Å1.12Å
C13H131sing1.09Å1.11Å
C13H132sing1.10Å1.12Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.11Å
C16H16sing1.09Å1.11Å
CL1C1sing1.71Å1.72Å
C1C2doub1.38Å1.40ÅAromatic
C2C3sing1.43Å1.41ÅAromatic
C3C4doub1.36Å1.40ÅAromatic
C17H171sing1.10Å1.11Å
C17H172sing1.10Å1.11Å
C17H173sing1.10Å1.12Å
C19H191sing1.10Å1.11Å
C19H192sing1.09Å1.12Å
C23H231sing1.09Å1.12Å
C23H232sing1.10Å1.12Å
C20H201sing1.10Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
H202C20C19111.1°110.1°
H202C20O5111.1°107.9°
H202C20H20199.2°107.8°
H221C22H22297.8°107.9°
H221C22O5112.7°107.9°
H221C22C23112.7°110.1°
H222C22O5112.7°109.2°
H222C22C23112.7°111.4°
C9C4S6122.0°118.6°
C4C9C6116.7°113.0°
C4C9H9C1109.6°108.6°
C4C9H9C2109.6°110.3°
C9C4C3126.6°127.5°
O2S1O1121.2°120.7°
O2S1N1105.4°109.8°
O2S1C6109.2°107.9°
O1S1N1111.2°108.5°
O1S1C6104.6°107.4°
S1N1C12118.2°119.2°
N1S1C6104.0°100.6°
S1N1H1109.0°116.8°
N1C12C13111.9°111.4°
N1C12C15115.3°106.8°
C12N1H1109.0°114.0°
N1C12H12102.5°110.4°
C12C13C14105.1°104.3°
C13C12C15106.3°104.1°
C13C12H12112.2°112.4°
C12C13H131113.9°114.1°
C12C13H132113.9°109.1°
C13C14N2104.2°103.4°
C14C13H131113.9°112.4°
C14C13H132113.9°109.0°
C13C14H141114.2°112.3°
C13C14H142114.2°112.0°
C12C15O3125.0°124.8°
C12C15N2106.5°107.1°
C15C12H12108.6°111.5°
O3C15N2128.5°128.0°
C14N2C15114.9°112.9°
C14N2C16121.8°121.4°
N2C14H141114.2°110.6°
N2C14H142114.2°108.4°
C15N2C16123.2°125.3°
N2C16C17109.1°112.3°
N2C16C18113.1°104.4°
N2C16H16107.9°108.7°
C17C16C18111.3°110.7°
C17C16H16109.8°111.9°
C16C17H171112.3°111.9°
C16C17H172112.3°110.3°
C16C17H173109.1°111.1°
C16C18O4118.4°119.4°
C16C18N3117.2°116.5°
C18C16H16105.5°108.5°
O4C18N3124.5°124.1°
C18N3C19120.0°125.4°
C18N3C23126.4°120.0°
N3C19C20113.9°110.2°
C19N3C23113.5°114.3°
N3C19H191110.6°106.4°
N3C19H192110.6°111.3°
C19C20O5112.4°110.4°
C20C19H191110.6°110.2°
C20C19H192110.6°110.4°
C19C20H201111.1°111.4°
C20O5C22112.4°111.0°
O5C20H201111.1°109.2°
O5C22C23108.1°110.2°
N3C23C22111.4°110.4°
N3C23H231111.5°111.2°
N3C23H232111.5°106.4°
C22C23H231111.5°110.4°
C22C23H232111.5°110.1°
C1S6C492.4°90.9°
S6C1CL1122.0°120.2°
S6C1C2112.5°112.0°
S6C4C3111.4°114.0°
C9C6S1124.0°113.0°
C6C9H9C1109.6°108.7°
C6C9H9C2109.6°109.9°
C9C6H6C1107.1°109.9°
C9C6H6C2107.1°112.4°
S1C6H6C1107.1°105.9°
S1C6H6C2107.0°107.1°
H2C2C1124.8°123.7°
H2C2C3125.0°124.2°
H3C3C2123.4°124.3°
H3C3C4123.2°124.6°
H9C1C9H9C2100.6°106.1°
H6C1C6H6C2102.6°108.4°
H131C13H13296.6°107.9°
H141C14H14296.3°110.0°
CL1C1C2125.4°127.8°
C1C2C3110.2°112.0°
C2C3C4113.4°111.1°
H171C17H17298.1°107.6°
H171C17H173112.3°107.5°
H172C17H173112.3°108.3°
H191C19H19299.7°108.1°
H231C23H23298.8°108.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
H202C20C19N3169.9°173.4°
H202C20C19O5125.2°119.0°
H202C20C19H201109.5°119.5°
H202C20O5H201109.5°116.9°
H202C20O5C22177.9°178.1°
H202C20C19H19164.9°56.2°
H202C20C19H19244.6°63.2°
H221C22H222O5118.6°117.1°
H221C22H222C23118.6°121.0°
H221C22O5C20171.5°178.1°
H221C22O5C23125.3°120.3°
H221C22C23N3176.1°173.8°
H221C22C23H23158.6°62.9°
H221C22C23H23250.8°56.5°
H222C22O5C2062.0°61.0°
H222C22O5C23125.2°122.7°
H222C22C23N366.6°66.6°
H222C22C23H231168.1°56.8°
H222C22C23H23258.7°176.1°
C9C4S6C1179.1°180.0°
C9C4S6C3179.8°180.0°
C4C9C6H9C1125.3°120.6°
C4C9C6H9C2125.3°123.7°
C4C9C6S1173.2°178.0°
C9C4C3H30.5°0.1°
C4C9H9C1H9C2115.4°118.5°
C4C9C6H6C161.6°60.0°
C4C9C6H6C247.9°60.7°
C9C4C3C2179.4°180.0°
O2S1O1N1124.6°127.9°
O2S1O1C6123.8°124.1°
O2S1N1C6114.9°113.6°
O2S1N1C12157.7°30.0°
O2S1C6C961.0°65.0°
O2S1C6H6C164.3°174.7°
O2S1C6H6C2173.8°59.3°
O2S1N1H177.1°173.5°
O1S1N1C6112.0°112.5°
O1S1N1C1224.6°163.9°
O1S1C6C9167.9°66.6°
O1S1C6H6C166.8°53.7°
O1S1C6H6C242.6°169.1°
O1S1N1H1149.8°52.5°
S1N1C12H1125.2°144.5°
S1N1C12C13119.0°95.6°
S1N1C12C15119.3°151.4°
N1S1C6C951.2°180.0°
N1S1C6H6C1176.4°59.7°
N1S1C6H6C274.1°55.8°
S1N1C12H121.5°30.0°
N1C12C13C15126.7°114.7°
N1C12C13H12114.6°124.5°
N1C12C13C14138.5°88.0°
N1C12C15H12114.4°120.7°
N1C12C15O338.5°75.4°
N1C12C15N2142.1°102.3°
C12N1S1C687.4°83.6°
N1C12C13H13113.2°34.9°
N1C12C13H13296.2°155.6°
C12C13C14H131125.3°124.1°
C12C13C14H132125.3°116.4°
C13C12C15H12120.9°121.4°
C13C12C15O3163.2°166.7°
C12C13C14N22.5°27.8°
C13C12C15N217.4°15.6°
C13C12N1H1115.8°119.9°
C12C13H131H132119.8°121.4°
C12C13C14H141127.7°147.0°
C12C13C14H142122.8°88.7°
C14C13C12C1511.8°26.7°
C13C14N2H141125.3°120.4°
C13C14N2H142125.3°119.0°
C13C14N2C159.2°19.3°
C13C14N2C16170.6°167.6°
C14C13C12H12106.9°147.5°
C14C13H131H132119.8°120.2°
C13C14H141H142120.1°125.4°
C12C15O3N2179.3°177.2°
C12C15N2C1417.0°2.4°
C12C15N2C16162.8°175.1°
C15C12N1H15.9°6.9°
C15C12C13H131113.5°149.6°
C15C12C13H132137.0°89.7°
O3C15N2C14163.6°175.2°
O3C15N2C1616.5°2.5°
O3C15C12H1275.8°45.3°
C14N2C15C16179.8°172.7°
C14N2C16C1782.8°116.5°
C14N2C16C1841.7°123.5°
N2C14C13H131122.8°151.9°
N2C14C13H132127.7°88.5°
N2C14H141H142120.1°119.7°
C14N2C16H16157.9°7.9°
C15N2C16C1797.0°55.7°
C15N2C16C18138.5°64.4°
N2C15C12H12103.6°137.0°
C15N2C14H141116.0°139.7°
C15N2C14H142134.5°99.7°
C15N2C16H1622.2°180.0°
N2C16C17C18125.5°116.3°
N2C16C17H16118.0°122.6°
N2C16C18H16117.7°115.8°
N2C16C18O4120.0°4.2°
N2C16C18N359.7°175.6°
C16N2C14H14164.1°47.3°
C16N2C14H14245.3°73.4°
N2C16C17H17154.8°115.7°
N2C16C17H17254.7°124.5°
N2C16C17H173180.0°4.4°
C17C16C18H16119.1°123.1°
C17C16C18O43.2°116.9°
C17C16C18N3177.0°63.3°
C16C17H171H172118.3°121.3°
C16C17H171H173123.5°122.2°
C16C17H172H173123.5°121.8°
C16C18O4N3179.8°179.7°
C16C18N3C19176.1°0.3°
C16C18N3C235.8°174.1°
C18C16C17H17170.8°0.5°
C18C16C17H172179.7°119.2°
C18C16C17H17354.5°120.7°
O4C18N3C193.7°180.0°
O4C18N3C23174.4°6.2°
O4C18C16H16122.3°119.9°
C18N3C19C23178.4°174.1°
C18N3C19C20140.0°135.7°
C18N3C23C22132.9°135.1°
N3C18C16H1658.0°59.8°
C18N3C19H19114.7°104.8°
C18N3C19H19294.7°12.8°
C18N3C23H231101.8°12.1°
C18N3C23H2327.7°105.4°
N3C19C20H191125.2°117.2°
N3C19C20H192125.3°123.5°
N3C19C20O544.7°54.3°
C19N3C23C2248.8°50.4°
N3C19H191H192116.5°119.7°
C19N3C23H23176.5°173.4°
C19N3C23H232174.1°69.1°
N3C19C20H20180.6°67.2°
C19C20O5H201125.3°122.8°
C19C20O5C2256.8°61.6°
C20C19N3C2341.6°50.1°
C20C19H191H192116.5°120.8°
C20O5C22C2363.3°61.7°
O5C20C19H191169.9°62.8°
O5C20C19H19280.6°177.8°
O5C22C23N358.6°54.8°
O5C22C23H23166.7°178.2°
O5C22C23H232176.1°62.5°
C22O5C20H20168.4°61.2°
N3C23C22H231125.3°123.4°
N3C23C22H232125.3°117.3°
C23N3C19H191166.9°69.3°
C23N3C19H19283.6°173.1°
N3C23H231H232117.4°116.5°
C22C23H231H232117.4°120.6°
S6C1C2H2179.1°180.0°
S6C1CL1C2178.4°180.0°
S6C1C2C30.9°0.0°
C1S6C4C31.1°0.0°
S6C4C9C6152.9°90.0°
S6C4C3H3179.2°179.9°
S6C4C9H9C127.6°149.3°
S6C4C9H9C281.8°33.5°
C4S6C1CL1179.7°180.0°
C4S6C1C21.2°0.0°
S6C4C3C20.8°0.0°
C9C6S1H6C1125.3°120.3°
C9C6S1H6C2125.2°124.3°
C6C9H9C1H9C2115.4°118.2°
C9C6H6C1H6C2112.6°123.1°
C6C9C4C327.4°90.0°
S1C6C9H9C147.9°57.4°
S1C6C9H9C261.5°58.4°
S1C6H6C1H6C2112.5°114.6°
C6S1N1H137.8°60.0°
H2C2C3H30.1°0.0°
H2C2C1CL10.6°0.0°
H2C2C1C3180.0°179.9°
H2C2C3C4179.9°180.0°
H3C3C2C1179.9°179.9°
H3C3C2C4180.0°180.0°
H9C1C9C6H6C1173.2°60.6°
H9C1C9C6H6C277.3°178.7°
H9C1C9C4C3152.6°30.7°
H9C2C9C6H6C163.7°176.4°
H9C2C9C6H6C2173.2°62.9°
H9C2C9C4C397.9°146.5°
H1N1C12H12123.8°114.5°
H12C12C13H131127.8°89.6°
H12C12C13H13218.4°31.2°
H131C13C14H1412.4°88.9°
H131C13C14H142111.9°35.4°
H132C13C14H141107.0°30.6°
H132C13C14H1422.5°155.0°
H16C16C17H171172.8°121.7°
H16C16C17H17263.3°2.0°
H16C16C17H17361.9°118.1°
CL1C1C2C3179.4°180.0°
C1C2C3C40.1°0.0°
H171C17H172H173118.3°115.9°
H191C19C20H20144.6°175.7°
H192C19C20H201154.1°56.3°

220472

PDB entries from 2024-05-29

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