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G8B

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C22sing1.53Å1.51Å
C1N1sing1.47Å1.49Å
C2N1sing1.47Å1.49Å
C22N2sing1.47Å1.47Å
N1C3sing1.47Å1.49Å
O1S1doub1.42Å1.44Å
N2C4sing1.47Å1.48Å
N2S1sing1.66Å1.62Å
C3C4sing1.53Å1.51Å
C10C9doub1.38Å1.38ÅAromatic
C10C5sing1.38Å1.38ÅAromatic
S1C5sing1.76Å1.78Å
S1O2doub1.42Å1.43Å
C9C8sing1.39Å1.39ÅAromatic
C5C6doub1.38Å1.40ÅAromatic
C12N3doub1.32Å1.35ÅAromatic
C12C11sing1.40Å1.41ÅAromatic
C8C11sing1.48Å1.47Å
C8C7doub1.39Å1.40ÅAromatic
N3C13sing1.33Å1.36ÅAromatic
C6C7sing1.38Å1.39ÅAromatic
C11N4doub1.32Å1.34ÅAromatic
C13N6sing1.38Å1.34Å
C13C14doub1.40Å1.43ÅAromatic
N4C14sing1.33Å1.33ÅAromatic
C14C15sing1.48Å1.47Å
C15N5sing1.35Å1.34Å
C15O3doub1.22Å1.22Å
N5C16sing1.40Å1.41Å
O4C23sing1.43Å1.43Å
O4C17sing1.36Å1.36Å
C16C17doub1.39Å1.41ÅAromatic
C16C21sing1.39Å1.39ÅAromatic
C17C18sing1.38Å1.38ÅAromatic
C21C20doub1.38Å1.38ÅAromatic
C18C19doub1.38Å1.37ÅAromatic
C20C19sing1.38Å1.37ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C6H7sing1.08Å1.08Å
C9H8sing1.08Å1.08Å
C10H9sing1.08Å1.08Å
C12H10sing1.08Å1.08Å
C18H11sing1.08Å1.08Å
C19H12sing1.08Å1.08Å
C2H13sing1.09Å1.10Å
C2H14sing1.09Å1.10Å
C2H15sing1.09Å1.10Å
C20H16sing1.08Å1.08Å
C21H17sing1.08Å1.08Å
C22H18sing1.09Å1.10Å
C22H19sing1.09Å1.10Å
C23H20sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C7H23sing1.08Å1.08Å
N5H25sing0.97Å1.00Å
N6H26sing0.97Å1.00Å
N6H27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C22C1N1112.5°109.3°
C1C22N2110.9°108.5°
C22C1H1108.7°109.5°
C22C1H2108.7°109.5°
C1C22H18109.1°109.7°
C1C22H19109.1°109.6°
C1N1C2112.5°111.0°
C1N1C3109.5°111.2°
N1C1H1108.7°109.5°
N1C1H2108.7°109.5°
C2N1C3111.1°111.0°
N1C2H13109.5°109.5°
N1C2H14109.5°109.5°
N1C2H15109.5°109.5°
C22N2C4116.7°118.3°
C22N2S1114.6°120.9°
N2C22H18109.1°109.6°
N2C22H19109.1°109.6°
N1C3C4110.6°109.3°
N1C3H3109.2°109.5°
N1C3H4109.2°109.5°
O1S1N2105.6°106.4°
O1S1C5105.0°106.4°
O1S1O2125.7°123.2°
C4N2S1112.5°120.9°
N2C4C3111.5°108.5°
N2C4H5109.0°109.6°
N2C4H6109.0°109.6°
N2S1C5113.5°107.2°
N2S1O2104.2°106.4°
C4C3H3109.2°109.6°
C4C3H4109.2°109.4°
C3C4H5109.0°109.6°
C3C4H6108.9°109.7°
C9C10C5118.7°120.1°
C10C9C8122.3°119.9°
C10C9H8118.9°120.1°
C9C10H9120.7°119.9°
C10C5S1118.5°119.9°
C10C5C6120.5°120.3°
C5C10H9120.6°119.9°
C5S1O2103.1°106.4°
S1C5C6120.9°119.8°
C9C8C11119.1°120.1°
C9C8C7118.7°119.7°
C8C9H8118.8°120.0°
C5C6C7120.2°120.1°
C5C6H7119.9°120.0°
N3C12C11122.2°120.2°
C12N3C13118.0°120.1°
N3C12H10118.9°119.9°
C12C11C8125.1°119.9°
C12C11N4120.2°120.1°
C11C12H10118.9°119.9°
C11C8C7122.2°120.1°
C8C11N4114.7°119.9°
C8C7C6119.5°119.9°
C8C7H23120.3°120.1°
N3C13N6120.8°120.1°
N3C13C14118.7°119.9°
C7C6H7119.9°120.0°
C6C7H23120.2°120.1°
C11N4C14118.4°119.9°
N6C13C14120.4°120.1°
C13N6H26109.5°120.0°
C13N6H27109.5°120.0°
C13C14N4122.5°119.8°
C13C14C15124.1°120.1°
N4C14C15113.4°120.1°
C14C15N5112.8°120.0°
C14C15O3119.5°120.0°
N5C15O3127.6°120.0°
C15N5C16125.9°120.0°
C15N5H25117.1°120.0°
N5C16C17116.6°120.1°
N5C16C21124.4°120.0°
C16N5H25117.0°120.0°
C23O4C17117.6°117.0°
O4C23H20109.5°109.5°
O4C23H21109.5°109.5°
O4C23H22109.5°109.4°
O4C17C16115.0°120.1°
O4C17C18125.1°120.1°
C17C16C21118.9°119.9°
C16C17C18119.9°119.8°
C16C21C20120.2°119.9°
C16C21H17119.9°120.1°
C17C18C19119.7°120.1°
C17C18H11120.2°120.0°
C21C20C19120.5°120.2°
C21C20H16119.7°119.9°
C20C21H17119.9°120.0°
C18C19C20120.8°120.2°
C19C18H11120.2°120.0°
C18C19H12119.6°119.9°
C20C19H12119.6°119.9°
C19C20H16119.7°119.9°
H1C1H2109.5°109.5°
H3C3H4109.5°109.5°
H5C4H6109.5°109.8°
H13C2H14109.5°109.4°
H13C2H15109.5°109.5°
H14C2H15109.5°109.5°
H18C22H19109.4°109.8°
H20C23H21109.5°109.4°
H20C23H22109.5°109.5°
H21C23H22109.5°109.5°
H26N6H27109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C22C1N1H1120.4°119.9°
C22C1N1H2120.4°120.0°
C22C1N1C2176.9°172.7°
C1C22N2H18120.2°119.7°
C1C22N2H19120.2°119.7°
C22C1N1C359.1°63.1°
C1C22N2C446.3°51.2°
C1C22N2S1179.2°128.8°
C22C1H1H2118.6°120.0°
C1C22H18H19119.4°120.5°
C1N1C2C3123.2°124.3°
N1C1C22N251.3°53.8°
C1N1C3C459.3°63.2°
N1C1H1H2118.7°120.1°
C1N1C3H3179.5°56.9°
C1N1C3H460.8°176.9°
C1N1C2H13180.0°60.0°
C1N1C2H1460.0°180.0°
C1N1C2H1560.0°60.0°
N1C1C22H18171.5°173.6°
N1C1C22H1968.9°65.8°
C2N1C3C4175.7°172.7°
C2N1C1H156.4°52.8°
C2N1C1H262.7°67.3°
C2N1C3H355.6°67.3°
C2N1C3H464.1°52.8°
N1C2H13H14120.0°120.0°
N1C2H13H15120.0°120.0°
N1C2H14H15120.0°120.1°
C22N2S1O149.1°23.5°
C22N2C4S1135.4°180.0°
C22N2C4C347.8°51.2°
C22N2S1C565.5°90.0°
C22N2S1O2176.9°156.5°
N2C22C1H1171.7°173.8°
N2C22C1H269.2°66.1°
C22N2C4H5168.2°170.9°
C22N2C4H672.5°68.5°
N2C22H18H19119.3°120.5°
N1C3C4N253.3°53.9°
N1C3C4H3120.2°120.0°
N1C3C4H4120.2°119.9°
C3N1C1H1179.5°176.9°
C3N1C1H261.4°56.8°
N1C3H3H4119.5°120.1°
N1C3C4H5173.6°173.6°
N1C3C4H667.0°65.8°
C3N1C2H1356.8°64.2°
C3N1C2H14176.8°55.7°
C3N1C2H1563.2°175.8°
O1S1N2C4174.5°156.4°
O1S1N2C5114.5°113.6°
O1S1N2O2134.0°132.9°
O1S1C5C1019.8°156.2°
O1S1C5O2133.1°132.9°
O1S1C5C6158.9°23.6°
N2C4C3H5120.3°119.7°
N2C4C3H6120.3°119.7°
C4N2S1C571.0°90.0°
C4N2S1O240.4°23.5°
N2C4C3H3173.5°66.1°
N2C4C3H466.9°173.8°
N2C4H5H6119.1°120.5°
C4N2C22H18166.5°170.9°
C4N2C22H1974.0°68.5°
S1N2C4C3176.7°128.8°
N2S1C5C1095.1°90.3°
N2S1C5O2112.1°113.5°
N2S1C5C686.3°90.0°
S1N2C4H556.4°9.1°
S1N2C4H663.0°111.5°
S1N2C22H1859.0°9.1°
S1N2C22H1960.5°111.5°
C4C3H3H4119.5°120.0°
C3C4H5H6119.1°120.5°
C9C10C5H9180.0°179.9°
C9C10C5S1179.0°179.7°
C10C9C8H8180.0°179.9°
C9C10C5C60.4°0.0°
C10C9C8C11179.8°180.0°
C10C9C8C70.9°0.0°
C10C5S1C6178.6°179.7°
C10C5S1O2152.8°23.2°
C5C10C9C80.4°0.0°
C10C5C6C70.6°0.0°
C10C5C6H7179.4°180.0°
C5C10C9H8179.6°179.9°
S1C5C6C7179.2°179.7°
S1C5C6H70.8°0.2°
S1C5C10H91.0°0.3°
O2S1C5C625.8°156.5°
C9C8C11C1231.0°174.7°
C9C8C11C7179.2°180.0°
C9C8C7C60.7°0.0°
C9C8C11N4148.5°5.0°
C8C9C10H9179.6°179.9°
C9C8C7H23179.3°180.0°
C5C6C7C80.1°0.0°
C5C6C7H7180.0°180.0°
C6C5C10H9179.6°179.9°
C5C6C7H23179.9°180.0°
N3C12C11H10180.0°180.0°
N3C12C11C8179.2°180.0°
N3C12C11N40.3°0.3°
C12N3C13N6179.6°179.9°
C12N3C13C140.2°0.2°
C12C11C8N4179.5°179.7°
C12C11C8C7149.8°5.3°
C11C12N3C130.3°0.0°
C12C11N4C140.1°0.3°
C11C8C7C6179.9°180.0°
C8C11N4C14179.4°180.0°
C11C8C9H80.2°0.1°
C8C11C12H100.8°0.0°
C11C8C7H230.1°0.0°
C8C7C6H23180.0°180.0°
C7C8C11N430.7°175.0°
C8C7C6H7179.9°180.0°
C7C8C9H8179.0°180.0°
N3C13N6C14179.4°179.7°
N3C13C14N40.0°0.2°
N3C13C14C15179.4°179.7°
C13N3C12H10179.7°179.9°
N3C13N6H260.0°174.5°
N3C13N6H27120.0°5.6°
C11N4C14C130.0°0.0°
C11N4C14C15179.5°180.0°
N4C11C12H10179.7°179.7°
N6C13C14N4179.5°180.0°
N6C13C14C150.0°0.0°
C13N6H26H27120.0°179.9°
C13C14N4C15179.5°180.0°
C13C14C15N5173.4°174.5°
C13C14C15O36.1°5.5°
C14C13N6H26179.4°5.3°
C14C13N6H2760.6°174.7°
N4C14C15N57.1°5.5°
N4C14C15O3173.4°174.5°
C14C15N5O3179.4°180.0°
C14C15N5C16177.9°175.6°
C14C15N5H252.0°4.3°
C15N5C16H25180.0°179.9°
C15N5C16C17178.3°145.7°
C15N5C16C214.3°34.7°
O3C15N5C162.6°4.4°
O3C15N5H25177.4°175.7°
N5C16C17O41.9°0.3°
N5C16C17C21177.6°179.7°
N5C16C17C18178.5°179.7°
N5C16C21C20178.2°179.7°
N5C16C21H171.9°0.3°
C23O4C17C16179.2°180.0°
C23O4C17C181.3°0.1°
O4C23H20H21120.0°120.0°
O4C23H20H22120.0°120.0°
O4C23H21H22120.0°120.0°
O4C17C16C18179.6°179.9°
O4C17C16C21179.5°180.0°
O4C17C18C19179.7°180.0°
O4C17C18H110.3°0.1°
C17O4C23H20180.0°60.0°
C17O4C23H2160.0°60.0°
C17O4C23H2260.0°180.0°
C17C16C21C200.8°0.1°
C16C17C18C190.8°0.0°
C16C17C18H11179.2°180.0°
C17C16C21H17179.2°180.0°
C17C16N5H251.7°34.3°
C21C16C17C181.0°0.0°
C16C21C20H17180.0°179.9°
C16C21C20C190.5°0.1°
C16C21C20H16179.5°180.0°
C21C16N5H25175.7°145.4°
C17C18C19H11180.0°180.0°
C17C18C19C200.5°0.1°
C17C18C19H12179.5°180.0°
C21C20C19C180.3°0.1°
C21C20C19H16180.0°180.0°
C21C20C19H12179.7°180.0°
C18C19C20H12180.0°179.9°
C18C19C20H16179.7°180.0°
C20C19C18H11179.5°180.0°
C19C20C21H17179.5°180.0°
H1C1C22H1868.1°66.5°
H1C1C22H1951.5°54.1°
H2C1C22H1851.1°53.6°
H2C1C22H19170.6°174.2°
H3C3C4H566.2°53.6°
H3C3C4H653.2°174.2°
H4C3C4H553.5°66.5°
H4C3C4H6172.8°54.1°
H7C6C7H230.1°0.0°
H8C9C10H90.4°0.0°
H11C18C19H120.5°0.0°
H12C19C20H160.3°0.0°
H13C2H14H15120.0°120.0°
H16C20C21H170.5°0.0°
H20C23H21H22120.0°120.0°

222624

PDB entries from 2024-07-17

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