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WJ5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C7C6sing1.51Å1.51Å
C8C6doub1.38Å1.39ÅAromatic
C8C9sing1.38Å1.38ÅAromatic
C6C5sing1.38Å1.38ÅAromatic
C9C3doub1.38Å1.39ÅAromatic
O1S1doub1.42Å1.43Å
C5C4doub1.38Å1.39ÅAromatic
C3C4sing1.38Å1.38ÅAromatic
C3S1sing1.76Å1.75Å
S1O2doub1.42Å1.42Å
S1N1sing1.66Å1.65Å
C2N1sing1.47Å1.47Å
C2C1sing1.54Å1.52Å
N1C10sing1.47Å1.47Å
C1C21sing1.54Å1.52Å
C1C11sing1.56Å1.54Å
C21N2sing1.47Å1.48Å
C10C11sing1.54Å1.52Å
C11C12sing1.54Å1.52Å
O3C13doub1.22Å1.26Å
N2C13sing1.35Å1.32Å
N2C12sing1.47Å1.48Å
C13N3sing1.35Å1.35Å
C19C20doub1.38Å1.38ÅAromatic
C19C18sing1.38Å1.33ÅAromatic
C20C15sing1.38Å1.39ÅAromatic
N3C14sing1.46Å1.45Å
CL2C18sing1.74Å1.73Å
C18C17doub1.38Å1.38ÅAromatic
C15C14sing1.51Å1.51Å
C15C16doub1.38Å1.38ÅAromatic
C17C16sing1.38Å1.36ÅAromatic
C16CL1sing1.74Å1.76Å
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C11H3sing1.09Å1.10Å
C17H4sing1.08Å1.08Å
C20H5sing1.08Å1.08Å
C1H6sing1.09Å1.10Å
C2H7sing1.09Å1.10Å
C2H8sing1.09Å1.10Å
C4H9sing1.08Å1.08Å
C5H10sing1.08Å1.08Å
C7H11sing1.09Å1.10Å
C7H12sing1.09Å1.10Å
C7H13sing1.09Å1.10Å
C8H14sing1.08Å1.08Å
C9H15sing1.08Å1.08Å
C12H16sing1.09Å1.10Å
C12H17sing1.09Å1.10Å
N3H18sing0.97Å1.00Å
C14H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C19H21sing1.08Å1.08Å
C21H22sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7C6C8120.8°120.0°
C7C6C5120.7°120.0°
C6C7H11109.5°109.5°
C6C7H12109.5°109.5°
C6C7H13109.5°109.5°
C6C8C9121.3°120.0°
C8C6C5118.5°120.0°
C6C8H14119.4°120.0°
C8C9C3118.8°120.0°
C9C8H14119.4°120.0°
C8C9H15120.6°120.0°
C6C5C4121.4°120.0°
C6C5H10119.3°120.0°
C9C3C4121.3°120.0°
C9C3S1118.4°120.0°
C3C9H15120.6°120.0°
O1S1C3106.0°106.4°
O1S1O2120.2°123.1°
O1S1N1104.6°106.4°
C5C4C3118.7°120.0°
C5C4H9120.7°120.0°
C4C5H10119.3°120.0°
C4C3S1120.3°120.0°
C3C4H9120.6°119.9°
C3S1O2111.7°106.4°
C3S1N1109.6°107.2°
O2S1N1104.2°106.4°
S1N1C2118.3°125.6°
S1N1C10121.1°125.6°
N1C2C1103.3°107.9°
C2N1C10104.7°108.8°
N1C2H7111.0°109.8°
N1C2H8111.0°109.8°
C2C1C21113.0°109.1°
C2C1C11108.7°103.4°
C2C1H6109.8°113.8°
C1C2H7111.0°109.8°
C1C2H8111.0°109.8°
N1C10C11107.8°105.6°
N1C10H1109.9°110.2°
N1C10H2109.9°110.3°
C21C1C11106.1°103.2°
C1C21N2106.8°107.8°
C21C1H6109.7°113.1°
C1C21H22110.1°109.8°
C1C21H23110.2°109.8°
C1C11C10101.6°102.2°
C1C11C12108.5°102.0°
C1C11H3109.9°115.0°
C11C1H6109.6°113.3°
C21N2C13120.9°125.6°
C21N2C12111.4°108.8°
N2C21H22110.1°109.8°
N2C21H23110.1°109.8°
C10C11C12116.3°108.8°
C11C10H1109.9°110.2°
C11C10H2109.9°110.3°
C10C11H3110.1°113.8°
C11C12N2105.5°105.4°
C12C11H3110.1°113.8°
C11C12H16110.4°110.2°
C11C12H17110.5°110.3°
O3C13N2121.9°120.0°
O3C13N3119.6°120.0°
C13N2C12127.7°125.6°
N2C13N3118.4°120.0°
N2C12H16110.5°110.3°
N2C12H17110.4°110.3°
C13N3C14121.8°120.0°
C13N3H18119.1°120.0°
C20C19C18119.0°120.0°
C19C20C15121.8°120.0°
C19C20H5119.1°120.0°
C20C19H21120.5°120.0°
C19C18CL2118.8°120.0°
C19C18C17122.3°120.0°
C18C19H21120.5°120.0°
C20C15C14121.5°120.0°
C20C15C16116.1°120.0°
C15C20H5119.1°120.0°
N3C14C15116.7°109.5°
C14N3H18119.1°120.0°
N3C14H19107.6°109.5°
N3C14H20107.6°109.5°
CL2C18C17118.9°120.0°
C18C17C16118.0°120.0°
C18C17H4121.0°120.0°
C14C15C16122.4°120.0°
C15C14H19107.7°109.4°
C15C14H20107.7°109.5°
C15C16C17122.7°120.0°
C15C16CL1121.5°120.0°
C17C16CL1115.0°120.0°
C16C17H4121.0°120.0°
H1C10H2109.5°110.2°
H7C2H8109.5°109.8°
H11C7H12109.5°109.5°
H11C7H13109.4°109.4°
H12C7H13109.5°109.5°
H16C12H17109.5°110.2°
H19C14H20109.4°109.5°
H22C21H23109.4°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C7C6C8C5177.9°179.9°
C7C6C8C9179.3°179.7°
C7C6C5C4177.7°180.0°
C7C6C5H102.3°0.0°
C6C7H11H12120.0°120.0°
C6C7H11H13120.0°120.0°
C6C7H12H13120.0°120.0°
C7C6C8H140.7°0.0°
C6C8C9H14180.0°179.8°
C6C8C9C30.8°0.5°
C8C6C5C40.2°0.0°
C8C6C5H10179.8°180.0°
C8C6C7H1191.1°90.0°
C8C6C7H12148.9°30.0°
C8C6C7H1328.9°150.1°
C6C8C9H15179.2°180.0°
C9C8C6C51.4°0.2°
C8C9C3H15180.0°179.4°
C8C9C3C41.6°0.6°
C8C9C3S1179.8°179.7°
C6C5C4H10180.0°180.0°
C6C5C4C32.4°0.0°
C6C5C4H9177.6°179.9°
C5C6C7H1191.1°90.0°
C5C6C7H1228.9°150.0°
C5C6C7H13148.9°30.0°
C5C6C8H14178.6°180.0°
C9C3S1O131.7°156.2°
C9C3C4C53.1°0.3°
C9C3C4S1178.2°179.7°
C9C3S1O2164.3°23.2°
C9C3S1N180.7°90.3°
C9C3C4H9176.9°179.7°
C3C9C8H14179.3°179.7°
O1S1C3C4146.5°23.5°
O1S1C3O2132.6°132.9°
O1S1C3N1112.4°113.6°
O1S1O2N1116.6°122.9°
O1S1N1C260.1°156.4°
O1S1N1C10168.4°23.5°
C5C4C3H9180.0°179.9°
C5C4C3S1178.7°179.9°
C4C3S1O213.9°156.5°
C4C3S1N1101.1°90.0°
C3C4C5H10177.6°180.0°
C4C3C9H15178.4°180.0°
C3S1O2N1118.3°114.1°
C3S1N1C253.1°90.0°
C3S1N1C1078.3°90.0°
S1C3C4H91.3°0.0°
S1C3C9H150.2°0.3°
O2S1N1C2172.9°23.5°
O2S1N1C1041.4°156.4°
S1N1C2C10138.4°179.9°
S1N1C2C1174.3°177.2°
S1N1C10C11174.0°156.4°
S1N1C10H166.2°84.6°
S1N1C10H254.3°37.3°
S1N1C2H755.3°57.6°
S1N1C2H866.7°63.2°
N1C2C1H7119.0°119.6°
N1C2C1H8119.0°119.6°
N1C2C1C2194.7°128.0°
N1C2C1C1122.7°18.7°
C2N1C10C1137.1°23.6°
C2N1C10H1156.8°95.4°
C2N1C10H282.7°142.7°
N1C2C1H6142.5°104.7°
N1C2H7H8122.9°120.8°
C1C2N1C1035.9°2.8°
C2C1C21C11118.9°109.4°
C2C1C21H6122.8°127.7°
C2C1C11H6119.9°123.6°
C2C1C21N2128.6°89.7°
C2C1C11C101.0°31.7°
C2C1C11C12124.1°80.9°
C2C1C11H3115.5°155.5°
C1C2H7H8122.9°120.8°
C2C1C21H22111.8°150.7°
C2C1C21H239.0°29.8°
N1C10C11C121.6°34.2°
N1C10C11H1119.7°119.0°
N1C10C11H2119.8°119.2°
N1C10C11C1295.9°73.1°
N1C10H1H2120.8°121.9°
N1C10C11H3138.0°158.9°
C10N1C2H783.1°122.4°
C10N1C2H8154.9°116.9°
C21C1C11H6118.3°122.7°
C1C21N2H22119.6°119.6°
C1C21N2H23119.6°119.5°
C21C1C11C10120.7°145.3°
C21C1C11C122.3°32.8°
C1C21N2C13162.1°177.7°
C1C21N2C1214.1°2.2°
C21C1C11H3122.7°90.8°
C21C1C2H7146.2°8.4°
C21C1C2H824.2°112.4°
C1C21H22H23121.2°120.8°
C11C1C21N29.7°19.7°
C1C11C10C12117.5°107.3°
C1C11C10H3116.4°124.7°
C1C11C12H3120.3°124.5°
C1C11C12N25.9°35.0°
C1C11C10H1141.4°84.8°
C1C11C10H298.2°153.4°
C11C1C2H796.4°100.9°
C11C1C2H8141.7°138.3°
C1C11C12H16113.5°84.0°
C1C11C12H17125.2°154.1°
C11C1C21H22129.3°99.9°
C11C1C21H23109.9°139.3°
C21N2C12C1112.5°23.8°
C21N2C13O32.2°180.0°
C21N2C13C12175.5°180.0°
C21N2C13N3179.8°0.0°
N2C21C1H6108.5°142.6°
C21N2C12H16106.9°95.2°
C21N2C12H17131.8°142.8°
N2C21H22H23121.2°120.9°
C10C11C12H3126.0°128.0°
C10C11C12N2119.5°142.5°
C11C10H1H2120.8°121.9°
C10C11C1H6120.9°92.0°
C10C11C12H160.1°23.5°
C10C11C12H17121.1°98.4°
C11C12N2C13163.4°156.2°
C11C12N2H16119.4°119.0°
C11C12N2H17119.4°119.1°
C12C11C10H123.8°167.9°
C12C11C10H2144.3°46.0°
C12C11C1H6116.0°155.5°
C11C12H16H17121.9°122.0°
O3C13N2N3177.6°180.0°
O3C13N2C12173.3°0.0°
O3C13N3C140.1°0.0°
O3C13N3H18179.9°180.0°
N2C13N3C14177.6°180.0°
C13N2C12H1677.2°84.8°
C13N2C12H1744.1°37.1°
N2C13N3H182.4°0.1°
C13N2C21H2242.5°58.1°
C13N2C21H2378.3°62.7°
C12N2C13N34.3°180.0°
N2C12C11H3114.4°89.5°
N2C12H16H17121.8°122.0°
C12N2C21H22133.7°121.8°
C12N2C21H23105.5°117.3°
C13N3C14H18180.0°180.0°
C13N3C14C1592.5°180.0°
C13N3C14H19146.4°60.0°
C13N3C14H2028.6°60.0°
C20C19C18H21180.0°180.0°
C19C20C15H5180.0°180.0°
C20C19C18CL2179.4°180.0°
C20C19C18C170.4°0.3°
C19C20C15C14177.3°179.9°
C19C20C15C160.8°0.2°
C18C19C20C151.7°0.0°
C19C18CL2C17179.1°179.8°
C19C18C17C161.8°0.2°
C19C18C17H4178.2°179.7°
C18C19C20H5178.3°180.0°
C20C15C14N35.3°100.3°
C20C15C14C16177.9°179.7°
C20C15C16C171.5°0.3°
C20C15C16CL1171.0°179.8°
C20C15C14H19115.7°19.7°
C20C15C14H20126.4°139.7°
C15C20C19H21178.3°179.9°
N3C14C15H19121.1°120.0°
N3C14C15H20121.1°120.0°
N3C14C15C16176.7°80.0°
N3C14H19H20116.7°120.0°
CL2C18C17C16177.2°179.9°
CL2C18C17H42.8°0.1°
CL2C18C19H210.6°0.0°
C18C17C16C152.8°0.1°
C18C17C16H4180.0°179.9°
C18C17C16CL1172.9°180.0°
C17C18C19H21179.7°179.7°
C14C15C16C17179.5°180.0°
C14C15C16CL110.9°0.1°
C14C15C20H52.7°0.0°
C15C14N3H1887.5°0.0°
C15C14H19H20116.7°120.0°
C15C16C17CL1170.2°179.9°
C15C16C17H4177.2°180.0°
C16C15C20H5179.2°179.7°
C16C15C14H1962.2°160.0°
C16C15C14H2055.7°40.0°
CL1C16C17H47.1°0.1°
H1C10C11H3102.2°39.9°
H2C10C11H318.3°82.0°
H3C11C1H64.4°31.9°
H3C11C12H16126.2°151.6°
H3C11C12H174.9°29.6°
H5C20C19H211.7°0.0°
H6C1C2H723.4°135.7°
H6C1C2H898.6°14.9°
H6C1C21H2211.1°23.0°
H6C1C21H23131.9°97.9°
H9C4C5H102.4°0.0°
H11C7H12H13120.0°119.9°
H14C8C9H150.7°0.3°
H18N3C14H1933.6°119.9°
H18N3C14H20151.4°120.0°

251801

PDB entries from 2026-04-08

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