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SJ1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2doub1.30Å1.34Å
N1H1sing0.97Å1.00Å
C2N2sing1.37Å1.36Å
C2N3sing1.38Å1.33Å
N2H2N1sing0.97Å1.00Å
N2H2N2sing0.97Å1.00Å
N3C3sing1.47Å1.40Å
N3H3sing0.97Å1.00Å
C3C4sing1.53Å1.55Å
C3H3C1sing1.09Å1.10Å
C3H3C2sing1.09Å1.10Å
C4C5sing1.53Å1.55Å
C4H4C1sing1.09Å1.10Å
C4H4C2sing1.09Å1.10Å
C5C6sing1.53Å1.54Å
C5H5C1sing1.09Å1.10Å
C5H5C2sing1.09Å1.10Å
C6C7sing1.51Å1.46Å
C6N4sing1.47Å1.44Å
C6H6sing1.09Å1.10Å
C7O1doub1.21Å1.24Å
C7H7sing1.08Å1.08Å
N4C8sing1.35Å1.32Å
N4H4sing0.97Å1.00Å
C8O2doub1.21Å1.26Å
C8C9sing1.51Å1.47Å
C9C10sing1.53Å1.55Å
C9N5sing1.47Å1.42Å
C9H9sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C10H103sing1.09Å1.10Å
N5C11sing1.35Å1.32Å
N5H5sing0.97Å1.00Å
C11O3doub1.21Å1.24Å
C11C12sing1.51Å1.46Å
C12C13sing1.53Å1.55Å
C12N6sing1.46Å1.42Å
C12H12sing1.09Å1.10Å
C13O4sing1.43Å1.44Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
O4HBsing0.97Å0.95Å
N6C14sing1.35Å1.31Å
N6HAsing0.97Å1.00Å
C14O5doub1.21Å1.24Å
C14O6sing1.35Å1.26Å
O6C15sing1.45Å1.35Å
C15C16sing1.53Å1.56Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C16C17sing1.53Å1.56Å
C16C18sing1.53Å1.55Å
C16H16sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H173sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C18H183sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1H1109.7°120.0°
N1C2N2117.6°120.0°
N1C2N3117.5°120.0°
N2C2N3124.9°120.0°
C2N2H2N1125.2°120.0°
C2N2H2N2109.7°120.0°
C2N3C3121.9°120.0°
C2N3H3119.1°120.0°
H2N1N2H2N2125.2°120.0°
C3N3H3119.1°120.0°
N3C3C4108.0°109.5°
N3C3H3C1110.3°109.4°
N3C3H3C2110.0°109.4°
C4C3H3C1110.3°109.5°
C4C3H3C2109.9°109.5°
C3C4C5111.6°109.5°
C3C4H4C1108.3°109.5°
C3C4H4C2108.8°109.5°
H3C1C3H3C2108.3°109.5°
C5C4H4C1108.3°109.4°
C5C4H4C2108.8°109.5°
C4C5C6108.5°109.5°
C4C5H5C1110.0°109.4°
C4C5H5C2109.8°109.5°
H4C1C4H4C2111.1°109.5°
C6C5H5C1110.0°109.5°
C6C5H5C2109.8°109.5°
C5C6C7114.3°109.4°
C5C6N4110.7°109.5°
C5C6H6104.7°109.5°
H5C1C5H5C2108.8°109.5°
C7C6N4107.8°109.5°
C7C6H6107.8°109.5°
C6C7O1125.8°120.0°
C6C7H7117.1°120.0°
N4C6H6111.6°109.5°
C6N4C8120.1°120.0°
C6N4H4120.0°119.9°
O1C7H7117.1°120.0°
C8N4H4119.9°120.0°
N4C8O2123.8°120.0°
N4C8C9118.6°120.0°
O2C8C9117.6°120.0°
C8C9C10106.4°109.5°
C8C9N5111.0°109.5°
C8C9H9110.0°109.5°
C10C9N5107.9°109.5°
C10C9H9113.0°109.5°
C9C10H101109.5°109.5°
C9C10H102109.4°109.4°
C9C10H103109.5°109.5°
N5C9H9108.6°109.4°
C9N5C11126.0°120.0°
C9N5H5117.0°120.0°
H101C10H102109.5°109.5°
H101C10H103109.5°109.5°
H102C10H103109.5°109.5°
C11N5H5117.0°120.0°
N5C11O3119.7°120.0°
N5C11C12120.0°120.0°
O3C11C12120.3°120.0°
C11C12C13112.9°109.4°
C11C12N6109.6°109.5°
C11C12H12106.7°109.5°
C13C12N6108.2°109.5°
C13C12H12108.1°109.4°
C12C13O4105.5°109.5°
C12C13H131111.7°109.5°
C12C13H132110.8°109.5°
N6C12H12111.5°109.5°
C12N6C14125.2°120.0°
C12N6HA117.4°120.1°
O4C13H131111.7°109.5°
O4C13H132110.8°109.5°
C13O4HB109.5°106.8°
H131C13H132106.4°109.5°
C14N6HA117.4°119.9°
N6C14O5118.7°120.0°
N6C14O6122.9°120.0°
O5C14O6118.5°120.0°
C14O6C15131.8°120.0°
O6C15C16110.0°109.5°
O6C15H151109.2°109.5°
O6C15H152109.3°109.5°
C16C15H151109.2°109.5°
C16C15H152109.3°109.5°
C15C16C17106.7°109.5°
C15C16C18111.4°109.5°
C15C16H16109.8°109.4°
H151C15H152109.9°109.5°
C17C16C18108.6°109.5°
C17C16H16112.5°109.5°
C16C17H171109.5°109.5°
C16C17H172109.5°109.5°
C16C17H173109.5°109.5°
C18C16H16108.0°109.5°
C16C18H181109.5°109.4°
C16C18H182109.4°109.4°
C16C18H183109.5°109.5°
H171C17H172109.5°109.5°
H171C17H173109.4°109.5°
H172C17H173109.5°109.4°
H181C18H182109.5°109.4°
H181C18H183109.4°109.5°
H182C18H183109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N2N3179.6°179.9°
N1C2N2H2N10.0°0.1°
N1C2N2H2N2180.0°180.0°
N1C2N3C3176.5°180.0°
N1C2N3H33.5°0.0°
H1N1C2N20.0°0.1°
H1N1C2N3179.6°180.0°
C2N2H2N1H2N2180.0°179.9°
N2C2N3C33.1°0.1°
N2C2N3H3176.9°179.9°
N3C2N2H2N1179.6°180.0°
N3C2N2H2N20.4°0.1°
C2N3C3H3180.0°180.0°
C2N3C3C4176.2°180.0°
C2N3C3H3C163.2°60.0°
C2N3C3H3C256.2°60.0°
N3C3C4H3C1120.6°120.0°
N3C3C4H3C2120.0°120.0°
N3C3H3C1H3C2120.4°119.9°
N3C3C4C5175.0°180.0°
N3C3C4H4C155.9°60.0°
N3C3C4H4C265.0°60.0°
H3N3C3C43.8°0.0°
H3N3C3H3C1116.8°120.0°
H3N3C3H3C2123.8°120.0°
C4C3H3C1H3C2120.4°120.1°
C3C4C5H4C1119.1°120.0°
C3C4C5H4C2120.0°120.0°
C3C4H4C1H4C2119.4°120.0°
C3C4C5C6170.9°180.0°
C3C4C5H5C150.5°60.0°
C3C4C5H5C269.1°60.0°
H3C1C3C4C564.4°60.0°
H3C1C3C4H4C1176.5°180.0°
H3C1C3C4H4C255.6°60.0°
H3C2C3C4C555.0°60.0°
H3C2C3C4H4C164.1°60.0°
H3C2C3C4H4C2175.0°180.0°
C5C4H4C1H4C2119.4°120.0°
C4C5C6H5C1120.4°119.9°
C4C5C6H5C2120.0°120.0°
C4C5H5C1H5C2120.3°120.0°
C4C5C6C7169.2°175.0°
C4C5C6N468.8°65.0°
C4C5C6H651.5°55.0°
H4C1C4C5C670.0°60.0°
H4C1C4C5H5C1169.6°180.0°
H4C1C4C5H5C250.0°60.0°
H4C2C4C5C650.9°60.0°
H4C2C4C5H5C169.5°60.0°
H4C2C4C5H5C2170.9°180.0°
C6C5H5C1H5C2120.2°120.0°
C5C6C7N4123.5°120.0°
C5C6C7H6115.9°120.0°
C5C6N4H6116.1°120.1°
C5C6C7O1168.7°120.0°
C5C6C7H711.3°60.0°
C5C6N4C8135.9°155.0°
C5C6N4H444.1°25.0°
H5C1C5C6C770.4°65.0°
H5C1C5C6N451.6°54.9°
H5C1C5C6H6171.9°175.0°
H5C2C5C6C749.2°55.0°
H5C2C5C6N4171.2°175.0°
H5C2C5C6H668.5°65.0°
C7C6N4H6118.1°120.0°
C6C7O1H7180.0°180.0°
C7C6N4C898.4°85.0°
C7C6N4H481.6°95.0°
N4C6C7O145.2°0.0°
N4C6C7H7134.9°180.0°
C6N4C8H4180.0°180.0°
C6N4C8O23.6°0.0°
C6N4C8C9176.5°180.0°
H6C6C7O175.4°120.0°
H6C6C7H7104.6°60.0°
H6C6N4C819.8°35.0°
H6C6N4H4160.2°145.0°
N4C8O2C9179.9°180.0°
N4C8C9C10102.1°60.0°
N4C8C9N5140.8°180.0°
N4C8C9H920.6°60.0°
H4N4C8O2176.3°180.0°
H4N4C8C93.5°0.0°
O2C8C9C1078.0°120.0°
O2C8C9N539.1°0.0°
O2C8C9H9159.3°120.0°
C8C9C10N5119.1°120.0°
C8C9C10H9120.8°120.0°
C8C9N5H9121.0°120.0°
C8C9C10H10139.0°180.0°
C8C9C10H10281.0°60.0°
C8C9C10H103159.0°60.0°
C8C9N5C1165.5°155.0°
C8C9N5H5114.6°25.0°
C10C9N5H9122.8°120.0°
C9C10H101H102120.0°120.0°
C9C10H101H103120.0°120.0°
C9C10H102H103120.0°120.0°
C10C9N5C11178.3°85.0°
C10C9N5H51.6°95.0°
N5C9C10H101158.2°60.0°
N5C9C10H10238.2°60.0°
N5C9C10H10381.8°180.0°
C9N5C11H5180.0°180.0°
C9N5C11O32.1°0.1°
C9N5C11C12178.0°180.0°
H9C9C10H10181.8°60.0°
H9C9C10H102158.2°179.9°
H9C9C10H10338.2°60.0°
H9C9N5C1155.6°35.0°
H9C9N5H5124.4°145.0°
H101C10H102H103120.0°120.0°
N5C11O3C12179.9°179.9°
N5C11C12C1383.6°60.0°
N5C11C12N6155.7°180.0°
N5C11C12H1235.0°59.9°
H5N5C11O3178.0°180.0°
H5N5C11C122.0°0.0°
O3C11C12C1396.5°120.1°
O3C11C12N624.2°0.1°
O3C11C12H12144.9°120.0°
C11C12C13N6121.4°120.0°
C11C12C13H12117.7°120.0°
C11C12N6H12117.8°120.1°
C11C12C13O459.6°55.0°
C11C12C13H13161.9°175.0°
C11C12C13H132179.6°65.0°
C11C12N6C14106.5°155.0°
C11C12N6HA73.4°25.0°
C13C12N6H12118.7°120.0°
C12C13O4H131121.5°120.0°
C12C13O4H132120.0°120.0°
C12C13H131H132121.1°120.0°
C12C13O4HB23.8°180.0°
C13C12N6C14130.0°85.0°
C13C12N6HA50.0°95.0°
N6C12C13O461.8°65.0°
N6C12C13H131176.6°55.0°
N6C12C13H13258.1°175.0°
C12N6C14HA180.0°180.0°
C12N6C14O5178.7°0.0°
C12N6C14O61.6°180.0°
H12C12C13O4177.3°175.0°
H12C12C13H13155.8°65.0°
H12C12C13H13262.7°55.0°
H12C12N6C1411.3°35.0°
H12C12N6HA168.7°145.0°
O4C13H131H132121.0°120.0°
H131C13O4HB145.4°60.0°
H132C13O4HB96.2°59.9°
N6C14O5O6179.7°180.0°
N6C14O6C15144.9°180.0°
HAN6C14O51.3°180.0°
HAN6C14O6178.4°0.0°
O5C14O6C1535.4°0.0°
C14O6C15C16136.7°180.0°
C14O6C15H15116.9°60.0°
C14O6C15H152103.3°60.0°
O6C15C16H151119.8°120.0°
O6C15C16H152120.0°120.0°
O6C15H151H152119.9°120.0°
O6C15C16C1791.7°175.0°
O6C15C16C18150.0°65.0°
O6C15C16H1630.5°55.0°
C16C15H151H152119.8°120.0°
C15C16C17C18120.1°120.0°
C15C16C17H16120.4°120.0°
C15C16C18H16120.6°120.0°
C15C16C17H171125.3°180.0°
C15C16C17H1725.3°60.0°
C15C16C17H173114.7°60.0°
C15C16C18H181167.6°60.0°
C15C16C18H18272.4°179.9°
C15C16C18H18347.6°60.0°
H151C15C16C1728.1°65.0°
H151C15C16C1890.2°55.0°
H151C15C16H16150.3°175.0°
H152C15C16C17148.3°55.0°
H152C15C16C1830.0°175.0°
H152C15C16H1689.5°65.0°
C17C16C18H16122.2°120.1°
C16C17H171H172120.0°120.0°
C16C17H171H173120.0°120.0°
C16C17H172H173120.0°120.0°
C17C16C18H18175.3°180.0°
C17C16C18H18244.8°60.1°
C17C16C18H183164.8°60.0°
C18C16C17H171114.5°60.0°
C18C16C17H172125.4°180.0°
C18C16C17H1735.4°60.0°
C16C18H181H182120.0°119.9°
C16C18H181H183120.0°120.0°
C16C18H182H183120.0°120.1°
H16C16C17H1714.9°60.0°
H16C16C17H172115.1°60.0°
H16C16C17H173124.8°180.0°
H16C16C18H18147.0°59.9°
H16C16C18H182167.0°60.0°
H16C16C18H18373.0°180.0°
H171C17H172H173120.0°120.0°
H181C18H182H183120.0°120.0°

251422

PDB entries from 2026-04-01

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