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ZW4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL1C13sing1.74Å1.72Å
C5C4doub1.38Å1.39ÅAromatic
C5C6sing1.38Å1.39ÅAromatic
C4C3sing1.38Å1.39ÅAromatic
C6C1doub1.38Å1.39ÅAromatic
C3C7sing1.51Å1.50Å
C3C2doub1.38Å1.40ÅAromatic
C7O1sing1.43Å1.42Å
C7C10sing1.53Å1.53Å
O1C8sing1.43Å1.44Å
C13C14doub1.36Å1.40ÅAromatic
C13C12sing1.40Å1.40ÅAromatic
C8C9sing1.53Å1.54Å
C14C15sing1.46Å1.40ÅAromatic
O2C11doub1.22Å1.23Å
C1C2sing1.38Å1.39ÅAromatic
C10N1sing1.47Å1.47Å
C11N1sing1.35Å1.34Å
C11C12sing1.48Å1.50Å
O3S1doub1.42Å1.48Å
N1C9sing1.47Å1.47Å
C12C17doub1.40Å1.40ÅAromatic
C15N2sing1.32Å1.48Å
C15C16doub1.46Å1.41ÅAromatic
N2S1doub1.49Å1.58Å
S1F1sing1.61Å1.62Å
S1N3sing1.66Å1.80Å
C17C16sing1.36Å1.40ÅAromatic
C17CL2sing1.74Å1.74Å
N3C19sing1.47Å1.48Å
N3C18sing1.47Å1.49Å
C19C20sing1.53Å1.52Å
C18C20sing1.54Å1.52Å
C20C21sing1.53Å1.51Å
C21N4sing1.47Å1.47Å
C23N4sing1.47Å1.46Å
N4C22sing1.47Å1.46Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7H7sing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H9sing1.09Å1.10Å
C9H10sing1.09Å1.10Å
C9H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C10H13sing1.09Å1.10Å
C14H14sing1.08Å1.08Å
C16H15sing1.08Å1.08Å
C18H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H20sing1.09Å1.10Å
C20H21sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
C22H25sing1.09Å1.10Å
C22H26sing1.09Å1.10Å
C22H27sing1.09Å1.10Å
C23H28sing1.09Å1.10Å
C23H29sing1.09Å1.10Å
C23H30sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL1C13C14118.0°119.6°
CL1C13C12121.1°119.6°
C4C5C6120.5°119.9°
C5C4C3120.0°120.0°
C5C4H4120.0°120.0°
C4C5H5119.7°120.0°
C5C6C1119.6°120.1°
C6C5H5119.7°120.0°
C5C6H6120.2°120.0°
C4C3C7119.3°120.0°
C4C3C2119.6°120.0°
C3C4H4120.0°120.0°
C6C1C2119.9°120.0°
C6C1H1120.1°120.0°
C1C6H6120.2°119.9°
C7C3C2121.1°120.0°
C3C7O1109.3°109.5°
C3C7C10107.1°109.5°
C3C7H7109.4°109.6°
C3C2C1120.4°120.0°
C3C2H2119.8°120.0°
O1C7C10111.6°109.2°
C7O1C8115.4°114.2°
O1C7H7110.4°109.5°
C7C10N1108.1°108.4°
C10C7H7108.9°109.5°
C7C10H12109.8°109.7°
C7C10H13109.8°109.7°
O1C8C9111.8°109.3°
O1C8H8108.9°109.5°
O1C8H9108.9°109.5°
C14C13C12120.9°120.8°
C13C14C15120.4°119.2°
C13C14H14119.8°120.4°
C13C12C11122.6°119.2°
C13C12C17119.2°121.6°
C8C9N1102.3°108.4°
C9C8H8108.9°109.5°
C9C8H9108.9°109.5°
C8C9H10111.2°109.7°
C8C9H11111.2°109.7°
C14C15N2123.6°120.7°
C14C15C16118.1°118.6°
C15C14H14119.8°120.4°
O2C11N1120.3°120.0°
O2C11C12118.2°120.0°
C2C1H1120.1°120.0°
C1C2H2119.8°120.0°
C10N1C11116.9°121.0°
C10N1C9116.9°118.0°
N1C10H12109.8°109.7°
N1C10H13109.8°109.7°
N1C11C12121.5°120.0°
C11N1C9126.3°121.0°
C11C12C17118.1°119.3°
O3S1N2113.9°109.5°
O3S1F1105.1°109.5°
O3S1N3108.2°109.5°
N1C9H10111.2°109.7°
N1C9H11111.2°109.7°
C12C17C16119.5°120.8°
C12C17CL2122.5°119.6°
N2C15C16118.1°120.7°
C15N2S1127.3°120.0°
C15C16C17121.8°119.2°
C15C16H15119.1°120.4°
N2S1F1107.0°109.5°
N2S1N3110.6°109.5°
F1S1N3112.0°109.5°
S1N3C19126.6°136.0°
S1N3C18129.0°136.1°
C16C17CL2118.0°119.6°
C17C16H15119.1°120.4°
C19N3C1889.3°87.9°
N3C19C2092.0°88.1°
N3C19H19113.6°113.5°
N3C19H20113.7°113.5°
N3C18C2091.6°88.0°
N3C18H17113.7°113.4°
N3C18H18113.7°113.4°
C19C20C1886.5°83.4°
C19C20C21114.0°114.3°
C20C19H19113.7°113.4°
C20C19H20113.7°113.5°
C19C20H21112.6°114.0°
C18C20C21115.8°114.2°
C20C18H17113.7°113.4°
C20C18H18113.7°113.5°
C18C20H21112.6°114.2°
C20C21N4109.1°109.5°
C21C20H21112.9°113.4°
C20C21H22109.5°109.5°
C20C21H23109.6°109.5°
C21N4C23112.1°111.0°
C21N4C22110.6°111.0°
N4C21H22109.6°109.5°
N4C21H23109.6°109.5°
C23N4C22111.5°111.0°
N4C23H28109.5°109.4°
N4C23H29109.5°109.4°
N4C23H30109.5°109.5°
N4C22H25109.5°109.5°
N4C22H26109.5°109.5°
N4C22H27109.5°109.5°
H8C8H9109.5°109.5°
H10C9H11109.5°109.7°
H12C10H13109.5°109.7°
H17C18H18109.4°112.8°
H19C19H20109.5°112.8°
H22C21H23109.5°109.4°
H25C22H26109.4°109.5°
H25C22H27109.5°109.4°
H26C22H27109.5°109.5°
H28C23H29109.5°109.5°
H28C23H30109.5°109.5°
H29C23H30109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL1C13C14C12179.3°180.0°
CL1C13C14C15178.9°180.0°
CL1C13C12C113.2°0.0°
CL1C13C12C17178.9°179.7°
CL1C13C14H141.1°0.1°
C4C5C6H5180.0°179.8°
C5C4C3H4180.0°179.9°
C4C5C6C10.2°0.5°
C5C4C3C7179.4°180.0°
C5C4C3C20.1°0.0°
C4C5C6H6179.8°180.0°
C6C5C4C30.1°0.2°
C5C6C1H6180.0°179.5°
C5C6C1C20.2°0.6°
C5C6C1H1179.8°179.7°
C6C5C4H4179.9°179.7°
C4C3C7C2179.3°180.0°
C4C3C7O1122.3°40.0°
C4C3C7C10116.7°79.8°
C4C3C2C10.1°0.0°
C4C3C2H2179.9°179.9°
C3C4C5H5179.9°180.0°
C4C3C7H71.3°160.1°
C6C1C2C30.0°0.3°
C6C1C2H1180.0°179.7°
C6C1C2H2180.0°179.8°
C1C6C5H5179.8°179.7°
C3C7O1C10118.3°120.0°
C3C7O1H7120.4°120.1°
C3C7C10H7118.3°120.2°
C3C7O1C8169.3°177.5°
C7C3C2C1179.4°180.0°
C3C7C10N1167.0°172.2°
C7C3C2H20.6°0.1°
C7C3C4H40.6°0.0°
C3C7C10H1273.2°52.5°
C3C7C10H1347.2°68.0°
C2C3C7O158.4°140.0°
C2C3C7C1062.6°100.2°
C3C2C1H2180.0°179.9°
C3C2C1H1180.0°180.0°
C2C3C4H4179.9°180.0°
C2C3C7H7179.4°19.9°
O1C7C10H7122.2°119.8°
C7O1C8C958.2°62.6°
O1C7C10N147.4°52.3°
C7O1C8H8178.5°177.5°
C7O1C8H962.2°57.4°
O1C7C10H12167.2°67.5°
O1C7C10H1372.4°172.0°
C10C7O1C851.0°62.5°
C7C10N1H12119.8°119.8°
C7C10N1H13119.8°119.7°
C7C10N1C11121.2°129.7°
C7C10N1C958.2°50.5°
C7C10H12H13120.6°120.5°
O1C8C9H8120.4°120.0°
O1C8C9H9120.4°120.0°
O1C8C9N158.1°52.3°
C8O1C7H770.3°57.4°
O1C8H8H9118.9°120.1°
O1C8C9H1060.8°172.0°
O1C8C9H11176.9°67.4°
C13C14C15H14180.0°179.9°
C14C13C12C11177.5°180.0°
C14C13C12C171.8°0.3°
C13C14C15N2177.6°180.0°
C13C14C15C162.6°0.0°
C12C13C14C150.5°0.0°
C13C12C11O289.2°89.7°
C13C12C11N193.8°90.3°
C13C12C11C17175.8°179.7°
C13C12C17C161.8°0.5°
C13C12C17CL2179.0°179.7°
C12C13C14H14179.5°179.9°
C8C9N1C1061.7°50.5°
C8C9N1C11117.7°129.7°
C8C9N1H10118.8°119.8°
C8C9N1H11118.8°119.7°
C9C8H8H9118.9°120.1°
C8C9H10H11123.3°120.5°
C14C15N2C16175.0°180.0°
C14C15N2S177.0°38.6°
C14C15C16C172.6°0.2°
C14C15C16H15177.4°180.0°
O2C11N1C100.7°0.2°
O2C11N1C12177.0°180.0°
O2C11N1C9179.9°180.0°
O2C11C12C1786.6°90.0°
C2C1C6H6179.8°180.0°
C10N1C11C9179.4°179.8°
C10N1C11C12177.7°179.7°
N1C10C7H774.8°67.6°
C10N1C9H1057.1°170.3°
C10N1C9H11179.4°69.2°
N1C10H12H13120.6°120.5°
N1C11C12C1790.5°90.0°
C11N1C9H10123.5°10.0°
C11N1C9H111.2°110.6°
C11N1C10H121.4°110.5°
C11N1C10H13119.0°10.0°
C12C11N1C92.9°0.1°
C11C12C17C16177.7°179.8°
C11C12C17CL23.1°0.0°
O3S1N2C1586.0°6.6°
O3S1N2F1115.8°120.0°
O3S1N2N3122.0°120.0°
O3S1F1N3117.2°120.0°
O3S1N3C1973.0°60.0°
O3S1N3C18161.4°120.3°
N1C9C8H8178.4°172.3°
N1C9C8H962.3°67.7°
N1C9H10H11123.3°120.5°
C9N1C10H12178.0°69.2°
C9N1C10H1361.5°170.3°
C12C17C16C150.5°0.5°
C12C17C16CL2179.3°179.8°
C12C17C16H15179.5°179.8°
C15N2S1F129.7°113.5°
C15N2S1N3151.9°126.5°
N2C15C16C17177.9°179.8°
N2C15C14H142.4°0.0°
N2C15C16H152.1°0.1°
C16C15N2S1107.9°141.4°
C15C16C17H15180.0°179.7°
C15C16C17CL2178.8°179.7°
C16C15C14H14177.4°180.0°
N2S1F1N3121.3°120.0°
N2S1N3C19161.6°180.0°
N2S1N3C1836.0°0.3°
F1S1N3C1942.4°60.1°
F1S1N3C1883.2°119.6°
S1N3C19C18140.8°179.8°
S1N3C19C20135.1°152.8°
S1N3C18C20133.5°152.9°
S1N3C18H17109.6°92.4°
S1N3C18H1816.6°38.1°
S1N3C19H1918.1°38.1°
S1N3C19H20107.9°92.3°
CL2C17C16H151.2°0.0°
N3C19C20H19116.9°114.8°
N3C19C20H20117.0°114.9°
C19N3C18C205.7°26.9°
N3C19C20C21122.4°139.5°
C19N3C18H17111.2°87.8°
C19N3C18H18122.7°141.7°
N3C19H19H20128.2°130.8°
N3C19C20H21107.4°87.7°
N3C18C20H17116.9°114.8°
N3C18C20H18116.9°114.7°
N3C18C20C21120.6°139.7°
N3C18H17H18128.4°130.8°
C18N3C19H19122.7°141.7°
C18N3C19H20111.2°87.9°
N3C18C20H21107.4°87.5°
C19C20C18C21115.0°113.8°
C19C20C18H21113.0°113.4°
C19C20C21H21130.1°133.1°
C19C20C21N456.2°91.3°
C19C20C18H17111.3°88.8°
C19C20C18H18122.5°140.7°
C20C19H19H20128.3°130.7°
C19C20C21H2263.7°28.8°
C19C20C21H23176.2°148.7°
C18C20C21H21131.8°133.2°
C18C20C21N4154.3°175.0°
C20C18H17H18128.4°130.8°
C18C20C19H19122.6°140.7°
C18C20C19H20111.3°89.0°
C18C20C21H2234.4°65.0°
C18C20C21H2385.7°55.0°
C20C21N4H22119.9°120.0°
C20C21N4H23120.0°120.0°
C20C21N4C23148.4°66.1°
C20C21N4C2286.4°170.0°
C21C20C18H173.8°24.9°
C21C20C18H18122.5°105.6°
C21C20C19H19120.7°105.7°
C21C20C19H205.4°24.7°
C20C21H22H23120.2°120.0°
C21N4C23C22124.7°123.9°
N4C21C20H2173.9°41.8°
N4C21H22H23120.1°120.0°
C21N4C22H25180.0°60.0°
C21N4C22H2660.0°180.0°
C21N4C22H2760.0°60.0°
C21N4C23H28180.0°60.0°
C21N4C23H2960.0°180.0°
C21N4C23H3060.0°60.0°
C23N4C21H2228.5°173.9°
C23N4C21H2391.6°53.9°
C23N4C22H2554.5°63.9°
C23N4C22H2665.5°56.1°
C23N4C22H27174.5°176.1°
N4C23H28H29120.0°119.9°
N4C23H28H30120.0°120.0°
N4C23H29H30120.0°120.0°
C22N4C21H22153.6°50.0°
C22N4C21H2333.6°70.0°
N4C22H25H26120.0°120.0°
N4C22H25H27120.0°120.0°
N4C22H26H27120.0°120.0°
C22N4C23H2855.3°176.0°
C22N4C23H29175.3°56.1°
C22N4C23H3064.7°63.9°
H1C1C2H20.0°0.0°
H1C1C6H60.2°0.2°
H4C4C5H50.1°0.1°
H5C5C6H60.2°0.2°
H7C7C10H1245.0°172.7°
H7C7C10H13165.4°52.1°
H8C8C9H1059.6°68.0°
H8C8C9H1162.7°52.6°
H9C8C9H10178.9°52.1°
H9C8C9H1156.6°172.6°
H17C18C20H21135.7°157.8°
H18C18C20H219.5°27.3°
H19C19C20H219.5°27.2°
H20C19C20H21135.6°157.5°
H21C20C21H22166.2°161.8°
H21C20C21H2346.1°78.2°
H25C22H26H27120.0°120.0°
H28C23H29H30120.0°120.1°

223532

PDB entries from 2024-08-07

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