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SK1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N3C11sing1.46Å1.43Å
N3C10sing1.35Å1.38Å
N3H3sing0.97Å1.00Å
N5C18sing1.38Å1.35Å
N5H5N1sing0.97Å1.00Å
N5H5N2sing0.97Å1.00Å
C18N4doub1.30Å1.34Å
C18C14sing1.48Å1.40Å
N4H4sing0.97Å1.00Å
C14C13doub1.39Å1.41ÅAromatic
C14C15sing1.39Å1.41ÅAromatic
C13C12sing1.38Å1.41ÅAromatic
C13H13sing1.08Å1.08Å
C12C17doub1.38Å1.41ÅAromatic
C12H12sing1.08Å1.08Å
C17C16sing1.38Å1.40ÅAromatic
C17C11sing1.51Å1.51Å
C16C15doub1.38Å1.40ÅAromatic
C16H16sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C10O5doub1.21Å1.21Å
C10C8sing1.51Å1.51Å
C8N2sing1.46Å1.42Å
C8C22sing1.53Å1.53Å
C8H8sing1.09Å1.10Å
N2C7sing1.35Å1.38Å
N2H2sing0.97Å1.00Å
C7O4doub1.21Å1.22Å
C7C5sing1.51Å1.52Å
C5C6sing1.53Å1.54Å
C5N1sing1.47Å1.42Å
C5H5sing1.09Å1.10Å
C6O3sing1.43Å1.41Å
C6H6C1sing1.09Å1.10Å
C6H6C2sing1.09Å1.10Å
O3HAsing0.97Å0.95Å
N1S1sing1.66Å1.64Å
N1H1sing0.97Å1.00Å
S1O1doub1.42Å1.47Å
S1O2doub1.42Å1.44Å
S1C1sing1.81Å1.80Å
C1C4sing1.51Å1.51Å
C1H1C1sing1.09Å1.10Å
C1H1C2sing1.09Å1.10Å
C4C19doub1.38Å1.40ÅAromatic
C4C3sing1.38Å1.41ÅAromatic
C19C20sing1.38Å1.40ÅAromatic
C19H19sing1.08Å1.08Å
C20C21doub1.38Å1.40ÅAromatic
C20H20sing1.08Å1.08Å
C21C2sing1.38Å1.40ÅAromatic
C21H21sing1.08Å1.08Å
C2C3doub1.38Å1.40ÅAromatic
C2HCsing1.08Å1.08Å
C3HBsing1.08Å1.08Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C22H223sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11N3C10120.9°120.0°
C11N3H3119.5°120.0°
N3C11C17111.9°109.5°
N3C11H111108.1°109.5°
N3C11H112108.6°109.5°
C10N3H3119.5°120.0°
N3C10O5125.4°120.0°
N3C10C8113.9°120.0°
C18N5H5N1125.4°120.0°
C18N5H5N2109.3°120.0°
N5C18N4114.4°120.0°
N5C18C14125.6°120.0°
H5N1N5H5N2125.3°120.0°
N4C18C14120.0°120.0°
C18N4H4109.3°120.0°
C18C14C13122.8°120.1°
C18C14C15118.5°120.2°
C13C14C15118.8°119.7°
C14C13C12118.8°119.8°
C14C13H13120.6°120.1°
C14C15C16121.5°119.9°
C14C15H15119.3°120.0°
C12C13H13120.6°120.1°
C13C12C17122.3°120.2°
C13C12H12118.9°120.0°
C17C12H12118.8°119.9°
C12C17C16117.9°120.2°
C12C17C11122.4°119.9°
C16C17C11119.7°119.9°
C17C16C15120.4°120.1°
C17C16H16119.8°119.9°
C17C11H111108.1°109.5°
C17C11H112108.7°109.4°
C15C16H16119.8°120.0°
C16C15H15119.3°120.1°
H111C11H112111.4°109.5°
O5C10C8120.6°120.0°
C10C8N2113.8°109.5°
C10C8C22111.1°109.4°
C10C8H8104.7°109.5°
N2C8C22107.9°109.5°
N2C8H8108.2°109.5°
C8N2C7117.6°120.0°
C8N2H2121.2°120.0°
C22C8H8111.0°109.5°
C8C22H221109.4°109.5°
C8C22H222109.5°109.5°
C8C22H223109.5°109.5°
C7N2H2121.2°120.0°
N2C7O4121.5°120.0°
N2C7C5117.4°120.0°
O4C7C5121.1°120.0°
C7C5C6113.2°109.5°
C7C5N1112.6°109.4°
C7C5H5103.2°109.4°
C6C5N1104.3°109.5°
C6C5H5111.6°109.5°
C5C6O3107.4°109.5°
C5C6H6C1110.6°109.5°
C5C6H6C2110.2°109.5°
N1C5H5112.2°109.5°
C5N1S1127.4°120.0°
C5N1H1103.9°120.0°
O3C6H6C1110.7°109.5°
O3C6H6C2110.2°109.4°
C6O3HA109.5°106.8°
H6C1C6H6C2107.8°109.5°
S1N1H1103.9°120.0°
N1S1O1103.0°102.8°
N1S1O2104.7°102.8°
N1S1C1107.5°103.2°
O1S1O2114.9°122.1°
O1S1C1117.1°111.6°
O2S1C1108.4°111.6°
S1C1C4102.9°109.5°
S1C1H1C1113.1°109.5°
S1C1H1C2111.8°109.4°
C4C1H1C1113.1°109.5°
C4C1H1C2111.7°109.5°
C1C4C19121.1°120.0°
C1C4C3117.8°120.0°
H1C1C1H1C2104.5°109.5°
C19C4C3121.1°120.0°
C4C19C20117.8°120.0°
C4C19H19121.1°120.0°
C4C3C2119.5°120.0°
C4C3HB120.3°120.0°
C20C19H19121.1°120.0°
C19C20C21121.1°120.0°
C19C20H20119.5°120.0°
C21C20H20119.5°120.0°
C20C21C2120.5°120.0°
C20C21H21119.8°120.0°
C2C21H21119.7°120.0°
C21C2C3118.5°120.0°
C21C2HC120.7°120.0°
C3C2HC120.8°120.0°
C2C3HB120.2°120.0°
H221C22H222109.5°109.5°
H221C22H223109.5°109.4°
H222C22H223109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11N3C10H3180.0°180.0°
N3C11C17C1285.2°90.0°
N3C11C17C1694.8°90.3°
N3C11C17H111119.0°120.0°
N3C11C17H112120.0°120.0°
N3C11H111H112119.3°120.0°
C11N3C10O53.3°0.0°
C11N3C10C8175.9°180.0°
C10N3C11C1795.0°180.0°
C10N3C11H11124.0°60.0°
C10N3C11H112145.0°60.0°
N3C10O5C8179.1°180.0°
N3C10C8N2147.0°180.0°
N3C10C8C2290.9°60.0°
N3C10C8H829.0°60.0°
H3N3C11C1785.0°0.0°
H3N3C11H111156.0°120.0°
H3N3C11H11235.0°120.0°
H3N3C10O5176.7°180.0°
H3N3C10C84.1°0.0°
C18N5H5N1H5N2180.0°180.0°
N5C18N4C14179.7°180.0°
N5C18N4H4180.0°0.0°
N5C18C14C1310.1°180.0°
N5C18C14C15170.5°0.0°
H5N1N5C18N4180.0°180.0°
H5N1N5C18C140.3°0.0°
H5N2N5C18N40.0°0.0°
H5N2N5C18C14179.7°180.0°
N4C18C14C13169.6°0.0°
N4C18C14C159.8°180.0°
C14C18N4H40.2°180.0°
C18C14C13C15179.4°180.0°
C18C14C13C12171.9°180.0°
C18C14C13H138.1°0.0°
C18C14C15C16175.4°179.7°
C18C14C15H154.6°0.0°
C14C13C12H13180.0°179.9°
C14C13C12C175.9°0.0°
C14C13C12H12174.1°179.9°
C13C14C15C164.1°0.3°
C13C14C15H15175.9°180.0°
C15C14C13C127.5°0.0°
C15C14C13H13172.5°180.0°
C14C15C16C171.5°0.6°
C14C15C16H15180.0°179.7°
C14C15C16H16178.5°180.0°
C13C12C17H12180.0°180.0°
C13C12C17C160.4°0.3°
C13C12C17C11179.6°180.0°
H13C13C12C17174.2°180.0°
H13C13C12H125.9°0.0°
C12C17C16C11180.0°179.7°
C12C17C16C153.3°0.6°
C12C17C16H16176.7°180.0°
C12C17C11H11133.7°30.0°
C12C17C11H112154.8°150.0°
H12C12C17C16179.6°179.7°
H12C12C17C110.4°0.1°
C17C16C15H16180.0°179.4°
C17C16C15H15178.5°179.7°
C16C17C11H111146.3°149.7°
C16C17C11H11225.2°29.7°
C11C17C16C15176.7°179.7°
C11C17C16H163.3°0.3°
C17C11H111H112119.4°120.0°
H16C16C15H151.5°0.3°
O5C10C8N232.2°0.0°
O5C10C8C2289.9°120.0°
O5C10C8H8150.2°120.0°
C10C8N2C22123.9°120.0°
C10C8N2H8116.0°120.0°
C10C8C22H8116.2°120.0°
C10C8N2C764.5°155.0°
C10C8N2H2115.5°25.0°
C10C8C22H22139.3°180.0°
C10C8C22H22280.7°60.0°
C10C8C22H223159.3°60.0°
N2C8C22H8118.4°120.0°
C8N2C7H2180.0°180.0°
C8N2C7O42.4°0.0°
C8N2C7C5176.5°180.0°
N2C8C22H221164.8°60.0°
N2C8C22H22244.8°60.0°
N2C8C22H22375.2°179.9°
C22C8N2C7171.7°85.0°
C22C8N2H28.3°95.0°
C8C22H221H222120.0°120.0°
C8C22H221H223120.0°120.0°
C8C22H222H223120.0°120.0°
H8C8N2C751.5°35.0°
H8C8N2H2128.5°145.0°
H8C8C22H22176.8°60.0°
H8C8C22H222163.1°180.0°
H8C8C22H22343.2°60.0°
N2C7O4C5178.8°180.0°
N2C7C5C699.1°60.0°
N2C7C5N1142.8°180.0°
N2C7C5H521.6°60.0°
H2N2C7O4177.6°180.0°
H2N2C7C53.5°0.0°
O4C7C5C682.0°120.0°
O4C7C5N136.1°0.0°
O4C7C5H5157.3°120.0°
C7C5C6N1122.8°120.0°
C7C5C6H5115.9°120.0°
C7C5N1H5115.9°119.9°
C7C5C6O343.4°54.9°
C7C5C6H6C1164.2°175.0°
C7C5C6H6C276.6°65.0°
C7C5N1S175.2°145.0°
C7C5N1H1164.8°35.1°
C6C5N1H5121.0°120.1°
C5C6O3H6C1120.8°120.1°
C5C6O3H6C2120.0°119.9°
C5C6H6C1H6C2120.6°120.0°
C5C6O3HA172.2°180.0°
C6C5N1S1161.6°95.0°
C6C5N1H141.7°84.9°
N1C5C6O3166.2°65.0°
N1C5C6H6C173.0°55.0°
N1C5C6H6C246.1°175.1°
C5N1S1H1120.0°179.9°
C5N1S1O1175.7°51.2°
C5N1S1O255.2°178.8°
C5N1S1C160.0°65.0°
H5C5C6O372.5°175.0°
H5C5C6H6C148.4°65.0°
H5C5C6H6C2167.5°55.1°
H5C5N1S140.7°25.1°
H5C5N1H179.3°155.0°
O3C6H6C1H6C2120.6°119.9°
H6C1C6O3HA67.0°59.9°
H6C2C6O3HA52.2°60.1°
N1S1O1O2113.2°114.3°
N1S1O1C1117.8°110.0°
N1S1O2C1114.6°110.0°
N1S1C1C4177.4°180.0°
N1S1C1H1C155.1°60.0°
N1S1C1H1C262.6°60.0°
H1N1S1O155.8°128.9°
H1N1S1O264.8°1.2°
H1N1S1C1180.0°114.9°
O1S1O2C1133.2°135.7°
O1S1C1C467.3°70.2°
O1S1C1H1C1170.4°49.7°
O1S1C1H1C252.7°169.8°
O2S1C1C464.8°70.3°
O2S1C1H1C157.6°169.8°
O2S1C1H1C2175.2°49.7°
S1C1C4H1C1122.4°120.0°
S1C1C4H1C2120.0°120.0°
S1C1H1C1H1C2121.8°120.0°
S1C1C4C1996.4°90.0°
S1C1C4C382.2°90.3°
C4C1H1C1H1C2121.7°120.0°
C1C4C19C3178.5°179.8°
C1C4C19C20168.9°180.0°
C1C4C19H1911.1°0.0°
C1C4C3C2163.9°179.7°
C1C4C3HB16.1°0.2°
H1C1C1C4C19141.3°30.0°
H1C1C1C4C340.2°149.8°
H1C2C1C4C1923.7°150.1°
H1C2C1C4C3157.8°29.7°
C4C19C20H19180.0°180.0°
C4C19C20C210.2°0.0°
C4C19C20H20179.9°180.0°
C19C4C3C214.6°0.5°
C19C4C3HB165.3°180.0°
C3C4C19C209.6°0.3°
C3C4C19H19170.4°179.8°
C4C3C2C2110.0°0.5°
C4C3C2HB180.0°179.5°
C4C3C2HC170.0°179.8°
C19C20C21H20180.0°180.0°
C19C20C21C24.2°0.0°
C19C20C21H21175.8°180.0°
H19C19C20C21179.8°180.0°
H19C19C20H200.2°0.0°
C20C21C2H21180.0°179.9°
C20C21C2C30.8°0.3°
C20C21C2HC179.2°180.0°
H20C20C21C2175.8°180.0°
H20C20C21H214.2°0.1°
C21C2C3HC180.0°179.8°
C21C2C3HB170.0°180.0°
H21C21C2C3179.2°179.8°
H21C21C2HC0.8°0.1°
HCC2C3HB10.0°0.3°
H221C22H222H223120.0°120.0°

251422

PDB entries from 2026-04-01

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