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TGE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N1sing1.47Å1.49Å
C1C2sing1.53Å1.54Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
N1C4sing1.47Å1.49Å
N1C24sing1.47Å1.49Å
O1C2sing1.43Å1.40Å
O1C3sing1.43Å1.40Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
N2C6sing1.38Å1.41Å
N2C7sing1.35Å1.40Å
N2C18sing1.46Å1.48Å
O2C11sing1.36Å1.36Å
O2C17sing1.43Å1.41Å
C3C4sing1.53Å1.54Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
N3C5sing1.35Å1.40Å
N3C8doub1.31Å1.33Å
O3C7doub1.22Å1.23Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
N4C10doub1.32Å1.35ÅAromatic
N4C11sing1.32Å1.37ÅAromatic
O4C19sing1.43Å1.41Å
O4C20sing1.43Å1.41Å
C5C6doub1.41Å1.41ÅAromatic
C5C14sing1.40Å1.42ÅAromatic
N5C14doub1.31Å1.34ÅAromatic
N5C15sing1.33Å1.37ÅAromatic
C6C16sing1.39Å1.40ÅAromatic
N6C8sing1.38Å1.38Å
N6C23sing1.46Å1.46Å
N6HN6sing0.97Å1.00Å
C7C8sing1.47Å1.50Å
C9C10sing1.39Å1.41ÅAromatic
C9C13doub1.40Å1.39ÅAromatic
C9C15sing1.48Å1.46Å
C10H10sing1.08Å1.08Å
C11C12doub1.39Å1.40ÅAromatic
C12C13sing1.38Å1.39ÅAromatic
C12H12sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15C16doub1.39Å1.39ÅAromatic
C16H16sing1.08Å1.08Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C17H17Bsing1.09Å1.10Å
C18C19sing1.53Å1.54Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C20C21sing1.53Å1.53Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C21C22sing1.53Å1.52Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C22H22Bsing1.09Å1.10Å
C23C24sing1.53Å1.54Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C1C2108.3°109.3°
N1C1H1109.9°109.5°
N1C1H1A109.9°109.5°
C1N1C4108.7°110.8°
C1N1C24112.1°111.0°
C2C1H1109.8°109.5°
C2C1H1A109.8°109.5°
C1C2O1110.4°109.2°
C1C2H2109.2°109.5°
C1C2H2A109.2°109.5°
H1C1H1A109.1°109.5°
C4N1C24108.8°111.0°
N1C4C3108.7°109.3°
N1C4H4109.7°109.5°
N1C4H4A109.7°109.5°
N1C24C23111.2°109.5°
N1C24H24108.9°109.5°
N1C24H24A108.9°109.5°
C2O1C3112.2°113.8°
O1C2H2109.1°109.5°
O1C2H2A109.1°109.5°
O1C3C4111.2°109.3°
O1C3H3108.9°109.5°
O1C3H3A108.9°109.5°
H2C2H2A109.8°109.6°
C6N2C7120.4°118.9°
C6N2C18120.4°120.6°
N2C6C5118.9°120.4°
N2C6C16121.9°121.0°
C7N2C18119.1°120.6°
N2C7O3120.9°120.4°
N2C7C8115.9°119.2°
N2C18C19112.0°109.4°
N2C18H18108.6°109.5°
N2C18H18A108.6°109.5°
C11O2C17116.7°117.1°
O2C11N4111.0°119.4°
O2C11C12124.6°119.6°
O2C17H17109.5°109.5°
O2C17H17A109.4°109.5°
O2C17H17B109.5°109.4°
C4C3H3108.9°109.5°
C4C3H3A108.9°109.5°
C3C4H4109.7°109.5°
C3C4H4A109.7°109.5°
H3C3H3A110.0°109.5°
C5N3C8116.0°120.9°
N3C5C6124.1°120.6°
N3C5C14118.2°120.7°
N3C8N6120.5°119.9°
N3C8C7124.6°120.2°
O3C7C8123.2°120.4°
H4C4H4A109.2°109.5°
C10N4C11115.9°121.7°
N4C10C9123.9°120.7°
N4C10H10118.0°119.7°
N4C11C12124.4°121.0°
C19O4C20112.1°114.0°
O4C19C18106.6°109.5°
O4C19H19110.4°109.5°
O4C19H19A110.4°109.4°
O4C20C21106.4°109.5°
O4C20H20110.5°109.5°
O4C20H20A110.5°109.5°
C6C5C14117.7°118.8°
C5C6C16119.2°118.6°
C5C14N5123.7°120.5°
C5C14H14118.2°119.8°
C14N5C15117.5°122.2°
N5C14H14118.1°119.7°
N5C15C9117.4°119.5°
N5C15C16123.2°121.1°
C6C16C15118.8°118.8°
C6C16H16120.6°120.6°
C8N6C23120.9°120.0°
C8N6HN6119.6°120.0°
N6C8C7114.9°119.9°
C23N6HN6119.5°120.0°
N6C23C24112.1°109.5°
N6C23H23108.6°109.5°
N6C23H23A108.6°109.5°
C10C9C13118.1°119.1°
C10C9C15122.1°120.5°
C9C10H10118.1°119.7°
C13C9C15119.8°120.4°
C9C13C12120.3°118.3°
C9C13H13119.9°120.9°
C9C15C16119.4°119.4°
C11C12C13117.4°119.2°
C11C12H12121.3°120.4°
C13C12H12121.3°120.4°
C12C13H13119.8°120.8°
C15C16H16120.6°120.6°
H17C17H17A109.5°109.5°
H17C17H17B109.4°109.5°
H17AC17H17B109.5°109.5°
C19C18H18108.6°109.5°
C19C18H18A108.7°109.4°
C18C19H19110.5°109.5°
C18C19H19A110.5°109.5°
H18C18H18A110.3°109.5°
H19C19H19A108.5°109.5°
C21C20H20110.5°109.5°
C21C20H20A110.5°109.4°
C20C21C22111.2°109.5°
C20C21H21108.9°109.5°
C20C21H21A108.9°109.4°
H20C20H20A108.4°109.4°
C22C21H21108.9°109.5°
C22C21H21A108.9°109.4°
C21C22H22109.5°109.5°
C21C22H22A109.5°109.4°
C21C22H22B109.5°109.5°
H21C21H21A110.0°109.4°
H22C22H22A109.4°109.5°
H22C22H22B109.5°109.5°
H22AC22H22B109.5°109.5°
C24C23H23108.6°109.5°
C24C23H23A108.6°109.5°
C23C24H24108.9°109.4°
C23C24H24A108.9°109.5°
H23C23H23A110.4°109.5°
H24C24H24A110.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C1C2H1120.0°119.9°
N1C1C2H1A120.0°120.0°
N1C1H1H1A120.5°120.1°
C1N1C4C24122.4°123.8°
N1C1C2O159.5°56.8°
N1C1C2H2179.5°176.7°
N1C1C2H2A60.5°63.1°
C1N1C4C357.8°58.6°
C1N1C4H4177.8°178.6°
C1N1C4H4A62.2°61.3°
C1N1C24C2365.2°170.0°
C1N1C24H2454.8°50.0°
C1N1C24H24A174.8°70.0°
C2C1H1H1A120.4°120.1°
C2C1N1C458.7°58.6°
C2C1N1C24179.1°177.6°
C1C2O1H2120.0°119.9°
C1C2O1H2A120.0°119.9°
C1C2O1C360.1°58.6°
C1C2H2H2A119.6°120.2°
H1C1N1C461.2°61.3°
H1C1N1C2459.1°62.5°
H1C1C2O160.5°63.1°
H1C1C2H259.5°56.8°
H1C1C2H2A179.5°177.0°
H1AC1N1C4178.7°178.6°
H1AC1N1C2460.9°57.6°
H1AC1C2O1179.5°176.8°
H1AC1C2H260.5°63.3°
H1AC1C2H2A59.5°56.9°
N1C4C3O157.5°56.8°
N1C4C3H4120.0°120.0°
N1C4C3H4A120.0°119.9°
N1C4C3H3177.5°176.8°
N1C4C3H3A62.5°63.1°
N1C4H4H4A120.3°120.1°
C4N1C24C23174.5°66.4°
C4N1C24H2465.5°173.7°
C4N1C24H24A54.5°53.6°
C24N1C4C3179.9°177.6°
C24N1C4H459.9°57.7°
C24N1C4H4A60.1°62.4°
N1C24C23N693.3°180.0°
N1C24C23H24120.0°120.0°
N1C24C23H24A120.0°120.0°
N1C24C23H2326.7°60.0°
N1C24C23H23A146.7°60.0°
N1C24H24H24A119.3°120.1°
O1C2H2H2A119.6°120.1°
C2O1C3C459.3°58.6°
C2O1C3H3179.3°178.6°
C2O1C3H3A60.7°61.3°
C3O1C2H2179.9°178.6°
C3O1C2H2A59.9°61.3°
O1C3C4H3120.0°120.0°
O1C3C4H3A120.0°120.0°
O1C3H3H3A119.3°120.1°
O1C3C4H4177.5°176.8°
O1C3C4H4A62.5°63.1°
C6N2C7C18178.9°179.7°
N2C6C5N30.0°0.0°
C6N2C7O3179.8°180.0°
N2C6C5C16177.8°179.9°
N2C6C5C14178.3°179.9°
C6N2C7C81.0°0.1°
N2C6C16C15177.2°180.0°
N2C6C16H162.8°0.0°
C6N2C18C1998.7°90.0°
C6N2C18H18141.3°150.0°
C6N2C18H18A21.3°29.9°
N2C7C8N31.6°0.0°
N2C7O3C8179.2°179.9°
C7N2C6C50.3°0.0°
C7N2C6C16178.1°180.0°
N2C7C8N6178.5°180.0°
C7N2C18C1982.3°90.3°
C7N2C18H1837.7°29.6°
C7N2C18H18A157.7°149.7°
C18N2C7O31.2°0.4°
N2C18C19O472.9°65.0°
C18N2C6C5178.6°179.7°
C18N2C6C160.9°0.4°
C18N2C7C8178.0°179.7°
N2C18C19H18120.0°120.0°
N2C18C19H18A120.0°120.0°
N2C18H18H18A118.9°120.1°
N2C18C19H19167.1°55.0°
N2C18C19H19A47.1°175.0°
O2C11N4C10178.8°180.0°
O2C11N4C12179.9°180.0°
O2C11C12C13178.9°180.0°
O2C11C12H121.1°0.1°
C11O2C17H17180.0°180.0°
C11O2C17H17A60.0°60.0°
C11O2C17H17B60.0°60.0°
C17O2C11N4177.8°0.0°
C17O2C11C122.3°180.0°
O2C17H17H17A120.0°120.0°
O2C17H17H17B120.0°120.0°
O2C17H17AH17B120.0°119.9°
C4C3H3H3A119.3°120.0°
C3C4H4H4A120.3°120.1°
H3C3C4H462.5°63.3°
H3C3C4H4A57.5°56.8°
H3AC3C4H457.5°56.8°
H3AC3C4H4A177.5°176.9°
N3C5C6C14178.4°179.9°
N3C5C14N5177.4°180.0°
N3C5C6C16177.9°179.9°
C5N3C8N6178.8°180.0°
C5N3C8C71.3°0.0°
N3C5C14H142.6°0.1°
N3C8C7O3179.2°180.0°
C8N3C5C60.6°0.0°
C8N3C5C14177.8°180.0°
N3C8N6C7179.9°180.0°
N3C8N6C231.7°0.0°
N3C8N6HN6178.3°180.0°
O3C7C8N60.7°0.0°
N4C10C9H10180.0°179.9°
N4C10C9C132.2°0.1°
N4C10C9C15178.0°180.0°
C10N4C11C121.2°0.0°
C11N4C10C90.5°0.1°
C11N4C10H10179.6°180.0°
N4C11C12C131.0°0.0°
N4C11C12H12179.0°180.0°
O4C19C18H19120.0°120.0°
O4C19C18H19A120.0°120.0°
O4C19C18H18167.1°55.0°
O4C19C18H18A47.1°175.0°
O4C19H19H19A121.1°120.0°
C19O4C20C21177.4°179.9°
C19O4C20H2062.6°60.0°
C19O4C20H20A57.4°60.0°
C20O4C19C18177.5°180.0°
C20O4C19H1962.5°60.0°
C20O4C19H19A57.5°60.0°
O4C20C21H20120.0°120.0°
O4C20C21H20A120.0°120.0°
O4C20H20H20A121.3°120.0°
O4C20C21C2273.6°180.0°
O4C20C21H2146.4°60.0°
O4C20C21H21A166.4°60.0°
C6C5C14N51.1°0.1°
C6C5C14H14178.9°180.0°
C5C6C16C150.5°0.0°
C5C6C16H16179.5°179.9°
C5C14N5H14180.0°179.9°
C5C14N5C150.5°0.1°
C14C5C6C160.5°0.0°
C14N5C15C9179.3°179.9°
C14N5C15C160.6°0.1°
N5C15C16C61.2°0.0°
N5C15C9C1026.5°175.0°
N5C15C9C13153.3°4.9°
N5C15C9C16179.9°180.0°
C15N5C14H14179.5°180.0°
N5C15C16H16178.9°180.0°
C6C16C15C9178.7°180.0°
C6C16C15H16180.0°180.0°
C8N6C23HN6180.0°179.9°
C8N6C23C2468.3°180.0°
C8N6C23H23171.7°60.0°
C8N6C23H23A51.7°60.0°
C23N6C8C7178.4°180.0°
N6C23C24H23120.0°120.0°
N6C23C24H23A120.0°120.0°
N6C23H23H23A118.9°120.0°
N6C23C24H2426.7°60.0°
N6C23C24H24A146.7°60.0°
HN6N6C8C71.7°0.0°
HN6N6C23C24111.7°0.0°
HN6N6C23H238.3°120.1°
HN6N6C23H23A128.3°120.0°
C10C9C13C15179.8°179.9°
C10C9C13C122.3°0.0°
C10C9C13H13177.7°179.9°
C10C9C15C16153.4°5.1°
C13C9C10H10177.9°180.0°
C9C13C12C110.8°0.1°
C9C13C12H13180.0°179.9°
C9C13C12H12179.2°180.0°
C13C9C15C1626.8°175.0°
C15C9C10H102.0°0.1°
C15C9C13C12177.9°179.9°
C15C9C13H132.1°0.0°
C9C15C16H161.3°0.0°
C11C12C13H12180.0°179.9°
C11C12C13H13179.2°180.0°
H12C12C13H130.8°0.1°
H17C17H17AH17B120.0°120.1°
C19C18H18H18A119.0°120.0°
C18C19H19H19A121.2°120.0°
H18C18C19H1947.1°175.0°
H18C18C19H19A72.9°65.0°
H18AC18C19H1972.9°65.0°
H18AC18C19H19A167.1°55.0°
C21C20H20H20A121.2°120.0°
C20C21C22H21120.0°120.1°
C20C21C22H21A120.0°120.0°
C20C21H21H21A119.3°120.0°
C20C21C22H22180.0°60.0°
C20C21C22H22A60.0°60.1°
C20C21C22H22B60.0°180.0°
H20C20C21C22166.4°59.9°
H20C20C21H2173.6°180.0°
H20C20C21H21A46.4°60.0°
H20AC20C21C2246.4°60.0°
H20AC20C21H21166.4°60.0°
H20AC20C21H21A73.6°180.0°
C22C21H21H21A119.3°120.0°
C21C22H22H22A120.0°120.0°
C21C22H22H22B120.0°120.0°
C21C22H22AH22B120.0°119.9°
H21C21C22H2260.0°180.0°
H21C21C22H22A180.0°60.0°
H21C21C22H22B60.0°59.9°
H21AC21C22H2260.0°60.0°
H21AC21C22H22A60.0°180.0°
H21AC21C22H22B180.0°60.0°
H22C22H22AH22B120.0°120.0°
C24C23H23H23A118.9°120.0°
C23C24H24H24A119.3°120.0°
H23C23C24H24146.6°60.0°
H23C23C24H24A93.3°180.0°
H23AC23C24H2493.3°180.0°
H23AC23C24H24A26.7°60.0°

224931

PDB entries from 2024-09-11

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