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A1JII

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.52Å
C2N3sing1.47Å1.47Å
N3C4sing1.47Å1.46Å
N3C5sing1.35Å1.35Å
C5C6sing1.51Å1.52Å
C6S7sing1.81Å1.81Å
S7C8sing1.81Å1.80Å
C8C9sing1.53Å1.54Å
C9C10sing1.53Å1.52Å
C10N11sing1.47Å1.46Å
N11N12sing1.29Å1.34ÅAromatic
N12N13doub1.29Å1.31ÅAromatic
N13C14sing1.34Å1.37ÅAromatic
C14C15sing1.48Å1.46Å
C15C16doub1.39Å1.39ÅAromatic
C16C17sing1.38Å1.37ÅAromatic
C17F18sing1.35Å1.35Å
C15C19sing1.39Å1.39ÅAromatic
C19C20doub1.38Å1.37ÅAromatic
C20F21sing1.35Å1.35Å
C20C22sing1.39Å1.37ÅAromatic
C22F23sing1.35Å1.34Å
C14C24doub1.36Å1.37ÅAromatic
C9O25sing1.43Å1.43Å
C8O26sing1.43Å1.43Å
O26C27sing1.43Å1.44Å
C27C28sing1.53Å1.50Å
C28O29sing1.43Å1.40Å
C27C30sing1.53Å1.53Å
C30O31sing1.43Å1.43Å
C5O32doub1.21Å1.23Å
C30C10sing1.53Å1.53Å
C24N11sing1.35Å1.35ÅAromatic
C22C17doub1.39Å1.37ÅAromatic
C4H4Asing1.09Å1.10Å
C4H4Bsing1.09Å1.10Å
C4H4Csing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C6H6Bsing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C24H24sing1.08Å1.08Å
C28H28Asing1.09Å1.10Å
C28H28Bsing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
C1H1Csing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C2H2Bsing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C16H16sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
O25H25sing0.97Å0.95Å
C27H27sing1.09Å1.10Å
O29H29sing0.97Å0.95Å
C30H30sing1.09Å1.10Å
O31H31sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2N3113.7°109.5°
C2C1H1A109.5°109.5°
C2C1H1B109.5°109.5°
C2C1H1C109.4°109.5°
C1C2H2A108.4°109.4°
C1C2H2B108.4°109.5°
C2N3C4114.2°120.0°
C2N3C5125.8°120.0°
N3C2H2A108.4°109.5°
N3C2H2B108.4°109.5°
C4N3C5120.0°120.0°
N3C4H4A109.5°109.5°
N3C4H4B109.4°109.5°
N3C4H4C109.5°109.4°
N3C5C6118.2°120.0°
N3C5O32121.7°120.0°
C5C6S7113.4°109.5°
C6C5O32120.1°120.0°
C5C6H6A108.5°109.5°
C5C6H6B108.5°109.4°
C6S7C8101.4°103.0°
S7C6H6A108.5°109.5°
S7C6H6B108.5°109.5°
S7C8C9110.9°109.5°
S7C8O26110.7°109.5°
S7C8H8105.7°109.4°
C8C9C10106.0°109.1°
C8C9O25111.6°109.6°
C9C8O26110.9°109.5°
C9C8H8108.5°109.5°
C8C9H9109.8°109.5°
C9C10N11111.9°109.5°
C10C9O25108.0°109.6°
C9C10C30112.7°109.1°
C9C10H10106.9°109.5°
C10C9H9110.0°109.5°
C10N11N12119.9°125.8°
N11C10C30110.6°109.6°
C10N11C24129.3°125.7°
N11C10H10107.7°109.5°
N11N12N13107.1°110.5°
N12N11C24110.8°108.5°
N12N13C14109.3°108.8°
N13C14C15121.9°126.9°
N13C14C24107.8°106.2°
C14C15C16119.7°120.0°
C14C15C19120.2°120.1°
C15C14C24130.3°126.9°
C15C16C17118.9°119.9°
C16C15C19120.0°119.8°
C15C16H16120.5°120.1°
C16C17F18119.8°120.0°
C16C17C22121.8°120.0°
C17C16H16120.5°120.0°
F18C17C22118.4°120.0°
C15C19C20118.9°120.0°
C15C19H19120.5°120.0°
C19C20F21120.2°120.0°
C19C20C22121.5°120.1°
C20C19H19120.5°120.1°
F21C20C22118.2°120.0°
C20C22F23120.6°119.9°
C20C22C17118.8°120.2°
F23C22C17120.6°119.9°
C14C24N11105.0°106.0°
C14C24H24127.5°127.0°
O25C9H9111.4°109.5°
C9O25H25109.5°114.0°
C8O26C27112.3°114.1°
O26C8H8109.9°109.5°
O26C27C28106.8°109.5°
O26C27C30109.2°109.4°
O26C27H27110.4°109.5°
C27C28O29110.4°109.5°
C28C27C30111.7°109.5°
C27C28H28A109.2°109.5°
C27C28H28B109.3°109.5°
C28C27H27109.6°109.4°
O29C28H28A109.2°109.5°
O29C28H28B109.2°109.5°
C28O29H29109.5°114.0°
C27C30O31111.1°109.5°
C27C30C10109.0°109.2°
C30C27H27109.2°109.5°
C27C30H30109.4°109.6°
O31C30C10107.1°109.5°
O31C30H30110.8°109.5°
C30O31H31109.5°114.0°
C30C10H10106.8°109.6°
C10C30H30109.4°109.6°
N11C24H24127.5°126.9°
H4AC4H4B109.5°109.5°
H4AC4H4C109.5°109.4°
H4BC4H4C109.5°109.5°
H6AC6H6B109.5°109.4°
H28AC28H28B109.5°109.4°
H1AC1H1B109.5°109.5°
H1AC1H1C109.5°109.4°
H1BC1H1C109.5°109.5°
H2AC2H2B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2N3H2A120.6°119.9°
C1C2N3H2B120.7°120.0°
C1C2N3C489.2°90.0°
C1C2N3C589.7°90.2°
C2C1H1AH1B120.0°120.0°
C2C1H1AH1C120.0°120.0°
C2C1H1BH1C120.0°120.0°
C1C2H2AH2B118.1°120.0°
C2N3C4C5178.9°179.8°
C2N3C5C60.9°179.8°
C2N3C5O32177.1°0.3°
C2N3C4H4A180.0°90.3°
C2N3C4H4B60.0°29.8°
C2N3C4H4C60.0°149.8°
N3C2C1H1A180.0°180.0°
N3C2C1H1B60.0°60.0°
N3C2C1H1C60.0°60.0°
N3C2H2AH2B118.1°120.0°
C4N3C5C6179.7°0.0°
C4N3C5O321.7°180.0°
N3C4H4AH4B120.0°120.0°
N3C4H4AH4C120.0°120.0°
N3C4H4BH4C120.0°120.0°
C4N3C2H2A150.2°150.1°
C4N3C2H2B31.5°30.0°
N3C5C6O32178.1°180.0°
N3C5C6S7157.7°180.0°
C5N3C4H4A1.1°90.0°
C5N3C4H4B121.1°150.0°
C5N3C4H4C118.9°30.0°
N3C5C6H6A81.8°60.0°
N3C5C6H6B37.1°60.0°
C5N3C2H2A30.9°29.7°
C5N3C2H2B149.6°149.7°
C5C6S7H6A120.6°120.1°
C5C6S7H6B120.6°120.0°
C5C6S7C860.0°180.0°
C5C6H6AH6B118.2°119.9°
C6S7C8C9173.3°175.0°
C6S7C8O2663.2°65.0°
S7C6C5O3224.3°0.1°
S7C6H6AH6B118.2°120.0°
C6S7C8H855.9°55.0°
S7C8C9O26123.4°120.0°
S7C8C9H8115.7°120.0°
S7C8C9C10177.9°177.6°
S7C8C9O2560.6°62.4°
S7C8O26H8116.5°120.0°
S7C8O26C27171.5°178.8°
C8S7C6H6A179.4°59.9°
C8S7C6H6B60.6°60.0°
S7C8C9H963.4°57.7°
C8C9C10O25119.7°120.0°
C8C9C10H9118.6°119.9°
C8C9C10N11179.4°176.8°
C8C9O25H9123.1°120.1°
C9C8O26H8120.0°120.0°
C9C8O26C2765.0°61.1°
C8C9C10C3055.2°56.9°
C8C9C10H1061.8°63.1°
C8C9O25H25180.0°59.9°
C9C10N11C30126.5°119.6°
C9C10N11H10117.2°120.1°
C9C10N11N12120.9°145.2°
C10C9O25H9120.9°120.2°
C10C9C8O2658.7°57.6°
C9C10C30C2755.2°57.0°
C9C10C30O3165.0°62.9°
C9C10C30H10117.1°119.9°
C9C10N11C2459.6°34.9°
C10C9C8H862.1°62.5°
C10C9O25H2563.9°179.7°
C9C10C30H30174.8°177.0°
C10N11N12C24179.6°180.0°
C10N11N12N13179.9°180.0°
C10N11C24C14180.0°180.0°
N11C10C9O2559.7°63.2°
N11C10C30C27178.7°176.9°
N11C10C30O3161.0°57.0°
N11C10C30H10116.9°120.2°
C10N11C24H240.0°0.1°
N11C10C9H962.0°57.0°
N11C10C30H3059.1°63.1°
N11N12N13C140.1°0.0°
N12N11C24C140.4°0.0°
N12N11C10C30112.6°95.2°
N12N11C10H103.7°25.0°
N12N11C24H24179.6°180.0°
N12N13C14C15178.9°180.0°
N12N13C14C240.2°0.0°
N13N12N11C240.3°0.0°
N13C14C15C24178.4°180.0°
N13C14C15C16157.9°0.0°
N13C14C15C1918.2°179.7°
N13C14C24N110.4°0.0°
N13C14C24H24179.6°180.0°
C14C15C16C19176.2°179.7°
C14C15C16C17179.3°179.7°
C14C15C19C20178.7°179.7°
C15C14C24N11179.0°180.0°
C15C14C24H241.0°0.0°
C14C15C16H160.7°0.4°
C14C15C19H191.3°0.3°
C15C16C17H16180.0°179.9°
C15C16C17F18178.8°180.0°
C16C15C19C202.5°0.0°
C16C15C14C2420.5°179.9°
C15C16C17C222.8°0.1°
C16C15C19H19177.5°179.9°
C16C17F18C22178.4°179.9°
C17C16C15C193.1°0.1°
C16C17C22C201.8°0.1°
C16C17C22F23179.3°179.9°
F18C17C22C20179.8°180.0°
F18C17C22F230.9°0.0°
F18C17C16H161.2°0.1°
C15C19C20H19180.0°180.0°
C15C19C20F21179.8°180.0°
C15C19C20C221.5°0.0°
C19C15C14C24163.3°0.3°
C19C15C16H16176.9°180.0°
C19C20F21C22178.8°180.0°
C19C20C22F23180.0°180.0°
C19C20C22C171.1°0.0°
F21C20C22F231.2°0.0°
F21C20C22C17179.9°180.0°
F21C20C19H190.3°0.0°
C20C22F23C17178.9°180.0°
C22C20C19H19178.5°180.0°
C14C24N11H24180.0°179.9°
O25C9C8O26176.0°177.6°
O25C9C10C30174.9°176.9°
O25C9C8H855.1°57.5°
O25C9C10H1057.9°56.9°
C8O26C27C28177.0°178.9°
C8O26C27C3062.1°61.2°
O26C8C9H960.0°62.3°
C8O26C27H2757.9°58.9°
O26C27C28C30119.3°120.0°
O26C27C28H27119.6°120.1°
O26C27C28O2965.4°65.0°
O26C27C30H27120.8°120.0°
O26C27C30O3162.3°62.2°
O26C27C30C1055.5°57.6°
C27O26C8H855.0°58.9°
O26C27C28H28A174.5°174.9°
O26C27C28H28B54.8°55.0°
O26C27C30H30175.1°177.6°
C27C28O29H28A120.1°120.1°
C27C28O29H28B120.2°120.0°
C28C27C30H27121.4°120.0°
C28C27C30O3155.5°57.7°
C28C27C30C10173.3°177.6°
C27C28H28AH28B119.6°120.0°
C27C28O29H29180.0°180.0°
C28C27C30H3067.1°62.4°
O29C28C27C30175.4°175.1°
O29C28H28AH28B119.6°120.0°
O29C28C27H2754.3°55.1°
C27C30O31C10118.9°119.7°
C27C30O31H30121.8°120.2°
C27C30C10H30119.6°120.0°
C27C30C10H1061.8°63.0°
C30C27C28H28A55.2°55.0°
C30C27C28H28B64.5°64.9°
C27C30O31H31180.0°60.0°
O31C30C10H30120.1°120.1°
O31C30C10H10177.9°177.1°
O31C30C27H27176.9°177.7°
O32C5C6H6A96.3°120.0°
O32C5C6H6B144.8°120.1°
C30C10N11C2467.0°84.7°
C30C10C9H963.4°62.9°
C10C30C27H2765.3°62.4°
C10C30O31H3161.1°179.7°
C24N11C10H10176.7°155.0°
C22C17C16H16177.2°180.0°
H4AC4H4BH4C120.0°120.0°
H8C8C9H9179.1°177.7°
H10C10C9H9179.6°177.1°
H10C10C30H3057.8°57.0°
H28AC28C27H2765.9°65.0°
H28AC28O29H2959.9°59.9°
H28BC28C27H27174.4°175.1°
H28BC28O29H2959.8°60.0°
H1AC1H1BH1C120.0°120.0°
H1AC1C2H2A59.4°60.0°
H1AC1C2H2B59.4°60.0°
H1BC1C2H2A60.6°179.9°
H1BC1C2H2B179.4°60.1°
H1CC1C2H2A179.4°60.0°
H1CC1C2H2B60.7°180.0°
H9C9O25H2556.9°60.2°
H27C27C30H3054.3°57.5°
H30C30O31H3158.2°60.2°

257629

PDB entries from 2026-08-05

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