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HIG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2N1sing1.47Å1.51Å
C4N1sing1.36Å1.36ÅAromatic
N1C3sing1.38Å1.31ÅAromatic
C6C2sing1.54Å1.54Å
C5C2sing1.51Å1.49Å
C2H2sing1.09Å1.10Å
C3C7doub1.41Å1.41ÅAromatic
C3N8sing1.32Å1.38ÅAromatic
C10C4sing1.51Å1.54Å
C4N9doub1.30Å1.36ÅAromatic
C11C5doub1.38Å1.37ÅAromatic
C5C12sing1.39Å1.42ÅAromatic
C13C6sing1.54Å1.53Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
N9C7sing1.36Å1.36ÅAromatic
C7C14sing1.40Å1.45ÅAromatic
N8C15doub1.32Å1.38ÅAromatic
C16C10sing1.53Å1.49Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C17C11sing1.38Å1.42ÅAromatic
C13C11sing1.52Å1.54Å
C18C12doub1.38Å1.42ÅAromatic
C12H12sing1.08Å1.08Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C14C19doub1.38Å1.43ÅAromatic
C14C20sing1.51Å1.52Å
C15C19sing1.39Å1.43ÅAromatic
C15C21sing1.51Å1.50Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C16H16Bsing1.09Å1.10Å
C17C22doub1.39Å1.42ÅAromatic
C17H17sing1.08Å1.08Å
C22C18sing1.39Å1.41ÅAromatic
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C20H20Bsing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C21H21Bsing1.09Å1.10Å
C23C22sing1.48Å1.52ÅAromatic
C25C23doub1.39Å1.42ÅAromatic
C24C23sing1.40Å1.43ÅAromatic
C27C24doub1.39Å1.41ÅAromatic
C24C26sing1.48Å1.47ÅAromatic
C28C25sing1.38Å1.42ÅAromatic
C25H25sing1.08Å1.08Å
C26N30doub1.32Å1.36ÅAromatic
C26N29sing1.36Å1.36ÅAromatic
C31C27sing1.38Å1.40ÅAromatic
C27H27sing1.08Å1.08Å
C31C28doub1.38Å1.41ÅAromatic
C28H28sing1.08Å1.08Å
N29N32sing1.41Å1.40ÅAromatic
N30N33sing1.28Å1.39ÅAromatic
C31H31sing1.08Å1.08Å
N33N32doub1.29Å1.32ÅAromatic
N29HN29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C4132.5°126.3°
C2N1C3117.7°126.3°
N1C2C6118.6°110.2°
N1C2C5106.7°110.3°
N1C2H2103.9°110.3°
C4N1C3109.8°107.5°
N1C4C10125.1°125.0°
N1C4N9107.1°110.0°
N1C3C7108.6°105.8°
N1C3N8128.4°133.8°
C6C2C5105.1°105.3°
C6C2H2105.5°110.3°
C2C6C13103.3°102.4°
C2C6H6111.6°110.8°
C2C6H6A111.6°110.8°
C5C2H2117.7°110.3°
C2C5C11109.3°109.7°
C2C5C12129.1°130.2°
C7C3N8122.9°120.4°
C3C7N9105.4°107.2°
C3C7C14118.2°119.0°
C3N8C15120.2°121.6°
C10C4N9127.7°125.0°
C4C10C16114.1°109.5°
C4C10H10108.0°109.5°
C4C10H10A108.0°109.5°
C4N9C7109.1°109.5°
C11C5C12121.5°120.1°
C5C11C17119.9°120.0°
C5C11C13110.6°109.7°
C5C12C18118.3°120.3°
C5C12H12120.9°119.8°
C13C6H6111.6°110.8°
C13C6H6A111.6°111.0°
C6C13C11102.7°105.1°
C6C13H13111.8°110.4°
C6C13H13A111.8°110.3°
H6C6H6A107.3°110.8°
N9C7C14136.4°133.9°
C7C14C19118.5°118.2°
C7C14C20123.4°120.9°
N8C15C19120.3°121.4°
N8C15C21117.8°119.3°
C16C10H10108.0°109.4°
C16C10H10A107.9°109.4°
C10C16H16109.5°109.4°
C10C16H16A109.4°109.4°
C10C16H16B109.5°109.5°
H10C10H10A111.0°109.5°
C17C11C13129.5°130.3°
C11C17C22121.0°120.1°
C11C17H17119.5°119.9°
C11C13H13111.8°110.2°
C11C13H13A111.8°110.3°
C18C12H12120.8°119.8°
C12C18C22121.2°119.8°
C12C18H18119.4°120.1°
H13C13H13A107.1°110.4°
C19C14C20118.2°120.9°
C14C19C15119.8°119.5°
C14C19H19120.1°120.2°
C14C20H20109.5°109.5°
C14C20H20A109.5°109.5°
C14C20H20B109.4°109.5°
C19C15C21121.9°119.3°
C15C19H19120.1°120.2°
C15C21H21109.5°109.5°
C15C21H21A109.5°109.5°
C15C21H21B109.4°109.5°
H16C16H16A109.5°109.5°
H16C16H16B109.5°109.5°
H16AC16H16B109.5°109.6°
C22C17H17119.5°120.0°
C17C22C18118.1°119.7°
C17C22C23118.1°120.2°
C22C18H18119.4°120.1°
C18C22C23123.7°120.2°
H20C20H20A109.5°109.5°
H20C20H20B109.5°109.4°
H20AC20H20B109.5°109.5°
H21C21H21A109.5°109.5°
H21C21H21B109.4°109.4°
H21AC21H21B109.5°109.5°
C22C23C25118.4°120.2°
C22C23C24125.0°120.2°
C25C23C24116.6°119.6°
C23C25C28121.7°120.0°
C23C25H25119.2°120.0°
C23C24C27122.0°119.6°
C23C24C26122.8°120.2°
C27C24C26115.2°120.2°
C24C27C31120.2°120.0°
C24C27H27119.9°120.0°
C24C26N30125.9°126.5°
C24C26N29123.5°126.5°
C28C25H25119.1°120.0°
C25C28C31119.9°120.4°
C25C28H28120.0°119.8°
N30C26N29110.6°107.0°
C26N30N33105.5°110.4°
C26N29N32105.3°105.2°
C26N29HN29127.4°127.4°
C31C27H27119.9°120.0°
C27C31C28119.6°120.4°
C27C31H31120.2°119.8°
C31C28H28120.0°119.8°
C28C31H31120.2°119.8°
N29N32N33109.2°106.9°
N32N29HN29127.3°127.4°
N30N33N32109.4°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1C4C3178.4°179.8°
N1C2C6C5119.1°119.0°
N1C2C6H2115.8°122.0°
N1C2C5H2116.2°122.1°
C2N1C3C7178.7°179.9°
C2N1C3N81.2°0.1°
C2N1C4C101.5°0.1°
C2N1C4N9178.7°179.8°
N1C2C5C11145.1°136.1°
N1C2C5C1233.8°43.9°
N1C2C6C13147.9°145.4°
N1C2C6H692.1°96.5°
N1C2C6H6A27.9°27.0°
C4N1C2C663.2°121.1°
C4N1C2C555.1°123.0°
C4N1C2H2179.9°0.9°
C4N1C3C70.0°0.2°
C4N1C3N8179.8°179.8°
N1C4C10N9179.7°179.9°
N1C4N9C70.5°0.4°
N1C4C10C16159.3°90.1°
N1C4C10H1080.7°150.0°
N1C4C10H10A39.3°29.9°
C3N1C2C6118.5°58.7°
C3N1C2C5123.2°57.2°
C3N1C2H21.8°179.3°
N1C3C7N8179.8°180.0°
C3N1C4C10179.9°180.0°
C3N1C4N90.3°0.1°
N1C3C7N90.3°0.4°
N1C3C7C14179.7°180.0°
N1C3N8C15179.4°180.0°
C6C2C5H2117.1°119.0°
C6C2C5C1118.3°17.1°
C6C2C5C12160.6°162.8°
C2C6C13H6120.0°118.2°
C2C6C13H6A120.0°118.3°
C2C6H6H6A122.5°123.5°
C2C6C13C1128.0°26.4°
C2C6C13H1391.9°92.5°
C2C6C13H13A148.0°145.3°
C2C5C11C12179.0°179.9°
C5C2C6C1328.8°26.4°
C5C2C6H6148.8°144.5°
C5C2C6H6A91.2°92.1°
C2C5C11C17179.8°180.0°
C2C5C11C130.1°0.1°
C2C5C12C18179.3°180.0°
C2C5C12H120.7°0.0°
H2C2C5C1198.8°101.8°
H2C2C5C1282.4°78.2°
H2C2C6C1396.2°92.6°
H2C2C6H623.7°25.6°
H2C2C6H6A143.8°149.0°
C3C7N9C40.5°0.5°
C3C7N9C14180.0°179.5°
C7C3N8C150.4°0.0°
C3C7C14C190.1°0.0°
C3C7C14C20179.8°180.0°
N8C3C7N9179.9°179.6°
N8C3C7C140.1°0.0°
C3N8C15C190.4°0.1°
C3N8C15C21179.5°180.0°
C10C4N9C7179.7°179.8°
C4C10C16H10120.0°120.0°
C4C10C16H10A120.0°120.1°
C4C10H10H10A118.1°120.1°
C4C10C16H16180.0°60.0°
C4C10C16H16A60.0°59.9°
C4C10C16H16B60.0°180.0°
C4N9C7C14179.5°180.0°
N9C4C10C1620.4°90.1°
N9C4C10H1099.6°29.9°
N9C4C10H10A140.4°149.9°
C5C11C13C618.4°17.2°
C5C11C17C13179.9°179.9°
C11C5C12C180.5°0.0°
C11C5C12H12179.5°180.0°
C5C11C13H13101.6°101.7°
C5C11C13H13A138.4°136.2°
C5C11C17C221.1°0.0°
C5C11C17H17178.9°180.0°
C12C5C11C170.8°0.0°
C12C5C11C13179.1°180.0°
C5C12C18H12180.0°180.0°
C5C12C18C220.5°0.0°
C5C12C18H18179.5°180.0°
C13C6H6H6A122.5°123.6°
C6C13C11C17161.5°162.8°
C6C13C11H13120.0°118.9°
C6C13C11H13A120.0°118.9°
C6C13H13H13A122.8°122.2°
H6C6C13C11148.0°144.6°
H6C6C13H1328.1°25.7°
H6C6C13H13A92.0°96.5°
H6AC6C13C1192.0°92.0°
H6AC6C13H13148.0°149.2°
H6AC6C13H13A28.0°26.9°
N9C7C14C19179.9°179.5°
N9C7C14C200.3°0.6°
C7C14C19C20179.7°180.0°
C7C14C19C150.1°0.1°
C7C14C19H19179.9°180.0°
C7C14C20H2090.2°89.9°
C7C14C20H20A149.8°150.0°
C7C14C20H20B29.8°30.0°
N8C15C19C140.1°0.1°
N8C15C19C21179.8°179.9°
N8C15C19H19179.9°180.0°
N8C15C21H210.0°90.0°
N8C15C21H21A120.0°150.0°
N8C15C21H21B120.0°29.9°
C16C10H10H10A118.1°119.9°
C10C16H16H16A120.0°119.9°
C10C16H16H16B120.0°119.9°
C10C16H16AH16B120.0°120.0°
H10C10C16H1660.0°180.0°
H10C10C16H16A180.0°60.0°
H10C10C16H16B60.0°60.1°
H10AC10C16H1660.0°60.0°
H10AC10C16H16A60.0°180.0°
H10AC10C16H16B180.0°59.9°
C17C11C13H1378.5°78.3°
C17C11C13H13A41.6°43.9°
C11C17C22H17180.0°180.0°
C11C17C22C181.1°0.1°
C11C17C22C23179.1°180.0°
C11C13H13H13A122.8°122.1°
C13C11C17C22178.8°180.0°
C13C11C17H171.2°0.0°
C12C18C22C170.8°0.1°
C12C18C22H18180.0°179.9°
C12C18C22C23179.4°180.0°
H12C12C18C22179.5°179.9°
H12C12C18H180.5°0.0°
C14C19C15H19180.0°179.9°
C14C19C15C21179.7°180.0°
C19C14C20H2090.2°90.0°
C19C14C20H20A29.8°30.0°
C19C14C20H20B149.8°150.0°
C20C14C19C15179.8°179.9°
C20C14C19H190.2°0.1°
C14C20H20H20A120.0°120.1°
C14C20H20H20B120.0°120.0°
C14C20H20AH20B120.0°120.0°
C19C15C21H21179.9°90.1°
C19C15C21H21A59.9°29.9°
C19C15C21H21B60.2°150.0°
C21C15C19H190.3°0.1°
C15C21H21H21A120.0°120.0°
C15C21H21H21B120.0°119.9°
C15C21H21AH21B120.0°120.0°
H16C16H16AH16B120.0°120.1°
C17C22C18C23179.8°180.0°
C17C22C18H18179.2°180.0°
C17C22C23C2547.1°50.3°
C17C22C23C24132.0°130.0°
H17C17C22C18178.9°180.0°
H17C17C22C231.0°0.0°
C18C22C23C25132.7°129.6°
C18C22C23C2448.2°50.0°
H18C18C22C230.6°0.0°
H20C20H20AH20B120.0°119.9°
H21C21H21AH21B120.0°120.0°
C22C23C25C24179.2°179.7°
C22C23C24C27179.5°180.0°
C22C23C24C261.2°0.0°
C22C23C25C28179.3°180.0°
C22C23C25H250.7°0.1°
C25C23C24C270.4°0.3°
C25C23C24C26179.7°179.7°
C23C25C28H25180.0°180.0°
C23C25C28C310.3°0.0°
C23C25C28H28179.7°179.9°
C23C24C27C26179.3°180.0°
C24C23C25C280.1°0.3°
C24C23C25H25179.9°179.8°
C23C24C26N3051.9°0.0°
C23C24C26N29127.1°179.7°
C23C24C27C310.3°0.1°
C23C24C27H27179.7°180.0°
C27C24C26N30128.8°180.0°
C27C24C26N2952.2°0.3°
C24C27C31H27180.0°179.9°
C24C27C31C280.1°0.2°
C24C27C31H31179.8°180.0°
C24C26N30N29179.1°179.7°
C26C24C27C31179.6°180.0°
C26C24C27H270.4°0.0°
C24C26N29N32179.5°180.0°
C24C26N30N33179.3°180.0°
C24C26N29HN290.6°0.0°
C25C28C31C270.4°0.2°
C25C28C31H28180.0°179.9°
C25C28C31H31179.6°179.9°
H25C25C28C31179.7°180.0°
H25C25C28H280.3°0.1°
N30C26N29N320.3°0.3°
C26N30N33N320.1°0.1°
N30C26N29HN29179.7°179.8°
C26N29N32HN29180.0°180.0°
N29C26N30N330.2°0.3°
C26N29N32N330.4°0.2°
C27C31C28H31180.0°179.8°
C27C31C28H28179.6°179.7°
H27C27C31C28179.9°179.8°
H27C27C31H310.1°0.1°
H28C28C31H310.4°0.1°
N29N32N33N300.3°0.0°
N33N32N29HN29179.6°179.8°

248942

PDB entries from 2026-02-11

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