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RWN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C8C7sing1.53Å1.52Å
C9C7sing1.53Å1.52Å
C7N5sing1.46Å1.46Å
N5C6sing1.37Å1.36ÅAromatic
N5C4sing1.37Å1.37ÅAromatic
C6N4doub1.30Å1.31ÅAromatic
C4N3doub1.33Å1.34ÅAromatic
C4C5sing1.40Å1.38ÅAromatic
N4C5sing1.36Å1.39ÅAromatic
N3C3sing1.32Å1.35ÅAromatic
C5C2doub1.41Å1.41ÅAromatic
C3N6sing1.38Å1.34Å
C3N2doub1.33Å1.35ÅAromatic
N6C10sing1.46Å1.47Å
C2N2sing1.33Å1.35ÅAromatic
C2N1sing1.38Å1.35Å
C13C12sing1.53Å1.52Å
C12C10sing1.53Å1.53Å
N1C1sing1.46Å1.45Å
C10C11sing1.53Å1.53Å
C1C14sing1.53Å1.53Å
C11O1sing1.43Å1.42Å
C14C15sing1.53Å1.52Å
C15C16sing1.51Å1.51Å
C16C17doub1.38Å1.39ÅAromatic
C16C21sing1.38Å1.39ÅAromatic
C17C18sing1.38Å1.38ÅAromatic
C21C20doub1.38Å1.39ÅAromatic
C18C19doub1.38Å1.38ÅAromatic
C20C19sing1.38Å1.39ÅAromatic
C20C22sing1.51Å1.50Å
C6H62sing1.08Å1.08Å
C7H71sing1.09Å1.10Å
C9H93sing1.09Å1.10Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C21H211sing1.08Å1.08Å
C17H171sing1.08Å1.08Å
C14H142sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C8H81sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
C8H83sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C13H133sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
O1H14sing0.97Å0.95Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C19H191sing1.08Å1.08Å
C22H221sing1.09Å1.10Å
C22H223sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C18H181sing1.08Å1.08Å
N1H13sing0.97Å1.00Å
N6H61sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C8C7C9110.4°109.5°
C8C7N5112.1°109.5°
C8C7H71107.1°109.5°
C7C8H81109.5°109.5°
C7C8H82109.5°109.4°
C7C8H83109.5°109.5°
C9C7N5112.2°109.5°
C9C7H71107.0°109.4°
C7C9H93109.5°109.5°
C7C9H91109.5°109.5°
C7C9H92109.5°109.5°
C7N5C6123.1°126.3°
C7N5C4130.4°126.3°
N5C7H71107.8°109.4°
C6N5C4106.4°107.4°
N5C6N4113.7°109.9°
N5C6H62123.2°125.0°
N5C4N3127.0°134.8°
N5C4C5105.6°106.0°
C6N4C5103.6°109.4°
N4C6H62123.2°125.0°
N3C4C5127.4°119.2°
C4N3C3112.5°120.6°
C4C5N4110.7°107.2°
C4C5C2115.8°118.3°
N4C5C2133.5°134.6°
N3C3N6116.9°118.8°
N3C3N2125.9°122.2°
C5C2N2118.5°118.6°
C5C2N1122.1°120.7°
N6C3N2117.3°118.9°
C3N6C10123.5°120.0°
C3N6H61105.9°120.1°
C3N2C2119.9°121.2°
N6C10C12107.9°109.5°
N6C10C11111.6°109.5°
N6C10H101108.6°109.5°
C10N6H61105.8°119.9°
N2C2N1119.2°120.7°
C2N1C1122.6°120.0°
C2N1H13106.1°120.0°
C13C12C10113.7°109.5°
C13C12H122108.4°109.5°
C13C12H121108.4°109.5°
C12C13H132109.5°109.5°
C12C13H133109.5°109.5°
C12C13H131109.4°109.4°
C12C10C11113.2°109.5°
C12C10H101107.7°109.5°
C10C12H122108.4°109.4°
C10C12H121108.4°109.5°
N1C1C14113.1°109.5°
N1C1H11108.6°109.5°
N1C1H12108.5°109.5°
C1N1H13106.1°120.0°
C10C11O1110.1°109.5°
C11C10H101107.8°109.4°
C10C11H111109.3°109.5°
C10C11H112109.3°109.5°
C1C14C15113.6°109.5°
C1C14H142108.4°109.5°
C1C14H141108.4°109.5°
C14C1H11108.5°109.4°
C14C1H12108.6°109.5°
C11O1H14109.5°114.0°
O1C11H111109.3°109.5°
O1C11H112109.3°109.4°
C14C15C16114.0°109.4°
C15C14H142108.4°109.5°
C15C14H141108.4°109.5°
C14C15H151108.4°109.5°
C14C15H152108.3°109.5°
C15C16C17121.0°120.0°
C15C16C21120.7°120.0°
C16C15H151108.3°109.5°
C16C15H152108.4°109.4°
C17C16C21118.3°120.0°
C16C17C18120.6°120.0°
C16C17H171119.7°120.0°
C16C21C20122.0°120.0°
C16C21H211119.0°120.0°
C17C18C19120.0°120.0°
C18C17H171119.7°120.0°
C17C18H181120.0°120.0°
C21C20C19118.0°120.0°
C21C20C22120.9°120.0°
C20C21H211119.0°120.0°
C18C19C20121.1°120.0°
C18C19H191119.5°120.0°
C19C18H181120.0°120.0°
C19C20C22121.1°120.0°
C20C19H191119.5°120.0°
C20C22H221109.5°109.5°
C20C22H223109.5°109.5°
C20C22H222109.5°109.4°
H93C9H91109.5°109.4°
H93C9H92109.4°109.4°
H91C9H92109.5°109.5°
H142C14H141109.5°109.4°
H81C8H82109.5°109.4°
H81C8H83109.5°109.5°
H82C8H83109.4°109.5°
H122C12H121109.5°109.4°
H11C1H12109.5°109.5°
H132C13H133109.5°109.5°
H132C13H131109.4°109.5°
H133C13H131109.5°109.5°
H151C15H152109.5°109.5°
H111C11H112109.5°109.5°
H221C22H223109.5°109.5°
H221C22H222109.5°109.4°
H223C22H222109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C8C7C9N5125.8°120.1°
C8C7C9H71116.2°120.0°
C8C7N5H71117.6°120.1°
C8C7N5C6131.5°60.0°
C8C7N5C447.4°120.0°
C8C7C9H93180.0°60.0°
C8C7C9H9160.0°60.0°
C8C7C9H9260.0°180.0°
C7C8H81H82120.0°119.9°
C7C8H81H83120.0°120.1°
C7C8H82H83120.0°120.0°
C9C7N5H71117.6°119.9°
C9C7N5C6103.6°60.0°
C9C7N5C477.5°119.9°
C7C9H93H91120.0°120.0°
C7C9H93H92120.0°120.0°
C7C9H91H92120.0°120.1°
C9C7C8H81180.0°60.1°
C9C7C8H8260.0°180.0°
C9C7C8H8360.0°60.0°
C7N5C6C4179.1°180.0°
C7N5C6N4179.5°180.0°
C7N5C4N30.8°0.0°
C7N5C4C5179.5°180.0°
C7N5C6H620.5°0.0°
N5C7C9H9354.2°60.0°
N5C7C9H9165.8°180.0°
N5C7C9H92174.2°59.9°
N5C7C8H8154.1°59.9°
N5C7C8H82174.2°60.0°
N5C7C8H8365.8°180.0°
N5C6N4H62180.0°180.0°
C6N5C4N3179.9°180.0°
C6N5C4C50.4°0.0°
N5C6N4C50.2°0.0°
C6N5C7H7114.0°180.0°
C4N5C6N40.4°0.0°
N5C4N3C5179.6°180.0°
N5C4C5N40.3°0.0°
N5C4N3C3179.7°179.8°
N5C4C5C2179.1°180.0°
C4N5C6H62179.6°180.0°
C4N5C7H71164.9°0.0°
C6N4C5C40.1°0.0°
C6N4C5C2179.2°180.0°
N3C4C5N4180.0°180.0°
N3C4C5C20.6°0.0°
C4N3C3N6179.5°179.9°
C4N3C3N20.5°0.5°
C4C5N4C2179.3°180.0°
C5C4N3C30.7°0.3°
C4C5C2N22.1°0.0°
C4C5C2N1177.5°179.7°
N4C5C2N2178.7°180.0°
N4C5C2N13.3°0.3°
C5N4C6H62179.8°180.0°
N3C3N6N2179.0°179.6°
N3C3N6C10133.4°179.5°
N3C3N2C20.9°0.4°
N3C3N6H61104.7°0.4°
C5C2N2C32.3°0.2°
C5C2N2N1175.5°179.8°
C5C2N1C1153.3°179.7°
C5C2N1H1384.9°0.3°
C3N6C10H61121.9°179.9°
N6C3N2C2178.0°180.0°
C3N6C10C12121.0°85.0°
C3N6C10C11114.1°155.0°
C3N6C10H1014.5°35.0°
N2C3N6C1045.6°0.1°
C3N2C2N1177.8°179.9°
N2C3N6H6176.3°180.0°
N6C10C12C1354.2°65.0°
N6C10C12C11123.9°120.0°
N6C10C12H101117.0°120.0°
N6C10C11H101119.1°120.0°
N6C10C11O163.8°65.0°
N6C10C12H122174.8°175.0°
N6C10C12H12166.5°55.0°
N6C10C11H11156.3°175.0°
N6C10C11H112176.2°54.9°
N2C2N1C122.0°0.0°
N2C2N1H1399.8°180.0°
C2N1C1H13121.8°180.0°
C2N1C1C14108.5°180.0°
C2N1C1H11130.9°60.0°
C2N1C1H1212.0°60.0°
C13C12C10H122120.6°120.1°
C13C12C10H121120.7°120.0°
C13C12C10C1169.7°175.0°
C13C12C10H101171.2°55.0°
C13C12H122H121118.1°120.0°
C12C13H132H133120.0°120.1°
C12C13H132H131120.0°119.9°
C12C13H133H131120.0°119.9°
C12C10C11H101119.0°120.0°
C12C10C11O1174.4°55.0°
C10C12H122H121118.0°119.9°
C10C12C13H132180.0°180.0°
C10C12C13H13360.0°59.9°
C10C12C13H13160.0°60.0°
C12C10C11H11165.5°65.0°
C12C10C11H11254.3°175.0°
C12C10N6H61117.1°95.0°
N1C1C14H11120.6°120.0°
N1C1C14H12120.5°120.0°
N1C1C14C1555.3°180.0°
N1C1C14H142175.9°60.0°
N1C1C14H14165.3°60.0°
N1C1H11H12118.3°120.0°
C10C11O1H111120.1°120.0°
C10C11O1H112120.1°119.9°
C11C10C12H12250.9°54.9°
C11C10C12H121169.6°65.0°
C10C11O1H14180.0°180.0°
C10C11H111H112119.7°120.0°
C11C10N6H617.8°25.0°
C1C14C15H142120.6°120.0°
C1C14C15H141120.6°120.0°
C1C14C15C16173.8°180.0°
C1C14H142H141118.1°120.0°
C14C1H11H12118.4°120.0°
C1C14C15H15153.2°60.1°
C1C14C15H15265.5°60.0°
C14C1N1H1313.3°0.0°
O1C11C10H10155.4°175.0°
O1C11H111H112119.7°120.0°
C14C15C16H151120.7°120.0°
C14C15C16H152120.7°120.0°
C14C15C16C1723.6°90.0°
C14C15C16C21158.2°90.0°
C15C14H142H141118.1°120.0°
C15C14C1H1165.3°60.0°
C15C14C1H12175.8°60.0°
C14C15H151H152117.9°120.1°
C15C16C17C21178.2°180.0°
C15C16C17C18178.8°179.8°
C15C16C21C20179.0°180.0°
C15C16C21H2110.9°0.0°
C15C16C17H1711.2°0.3°
C16C15C14H14265.6°60.0°
C16C15C14H14153.2°60.0°
C16C15H151H152118.0°120.0°
C16C17C18H171180.0°179.5°
C17C16C21C200.8°0.0°
C16C17C18C190.2°0.5°
C17C16C21H211179.2°180.0°
C17C16C15H15197.1°30.0°
C17C16C15H152144.3°150.0°
C16C17C18H181179.9°180.0°
C21C16C17C180.6°0.2°
C16C21C20H211180.0°180.0°
C16C21C20C190.7°0.1°
C16C21C20C22179.7°179.7°
C21C16C17H171179.4°179.7°
C21C16C15H15181.1°150.0°
C21C16C15H15237.5°30.0°
C17C18C19H181180.0°179.5°
C17C18C19C200.0°0.6°
C17C18C19H191180.0°179.4°
C21C20C19C180.2°0.4°
C21C20C19C22179.6°179.6°
C21C20C19H191179.7°179.6°
C21C20C22H22190.2°89.6°
C21C20C22H223149.8°30.4°
C21C20C22H22229.8°150.5°
C18C19C20H191180.0°179.9°
C18C19C20C22179.9°179.9°
C19C18C17H171179.8°180.0°
C19C20C21H211179.3°179.9°
C19C20C22H22190.2°89.9°
C19C20C22H22329.9°150.0°
C19C20C22H222149.8°30.0°
C20C19C18H181180.0°179.9°
C22C20C21H2110.3°0.4°
C22C20C19H1910.1°0.0°
C20C22H221H223120.0°120.0°
C20C22H221H222120.0°119.9°
C20C22H223H222120.0°120.0°
H71C7C9H9363.8°180.0°
H71C7C9H91176.2°60.1°
H71C7C9H9256.2°60.0°
H71C7C8H8163.8°179.9°
H71C7C8H8256.2°60.0°
H71C7C8H83176.2°60.0°
H93C9H91H92120.0°120.0°
H101C10C12H12268.2°65.0°
H101C10C12H12150.5°175.1°
H101C10C11H111175.5°55.0°
H101C10C11H11264.7°65.0°
H101C10N6H61126.4°145.0°
H171C17C18H1810.1°0.5°
H142C14C1H1155.3°60.0°
H142C14C1H1263.6°180.0°
H142C14C15H151173.7°179.9°
H142C14C15H15255.1°60.0°
H141C14C1H11174.1°180.0°
H141C14C1H1255.2°60.0°
H141C14C15H15167.4°60.0°
H141C14C15H152173.9°179.9°
H81C8H82H83120.0°120.0°
H122C12C13H13259.4°60.0°
H122C12C13H13360.6°180.0°
H122C12C13H131179.4°60.0°
H121C12C13H13259.4°60.0°
H121C12C13H133179.4°60.0°
H121C12C13H13160.6°180.0°
H11C1N1H13107.3°120.0°
H12C1N1H13133.8°120.0°
H132C13H133H131120.0°120.0°
H14O1C11H11159.9°60.0°
H14O1C11H11259.9°60.1°
H191C19C18H1810.0°0.1°
H221C22H223H222120.0°120.0°

222415

PDB entries from 2024-07-10

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