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AA2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2doub1.32Å1.36ÅAromatic
N1C6sing1.32Å1.35ÅAromatic
C2N3sing1.32Å1.37ÅAromatic
C2N19sing1.39Å1.38Å
N3C4doub1.33Å1.38ÅAromatic
C4C5sing1.40Å1.44ÅAromatic
C4C7sing1.48Å1.50ÅAromatic
C5C6doub1.38Å1.40ÅAromatic
C5CL20sing1.74Å1.75Å
C6H6sing1.08Å1.06Å
C7C8doub1.39Å1.40ÅAromatic
C7C12sing1.39Å1.41ÅAromatic
C8C9sing1.38Å1.41ÅAromatic
C8H8sing1.08Å1.06Å
C9C10doub1.38Å1.42ÅAromatic
C9H9sing1.08Å1.06Å
C10C11sing1.38Å1.41ÅAromatic
C10C21sing1.51Å1.56Å
C11C12doub1.38Å1.40ÅAromatic
C11H11sing1.08Å1.06Å
C12H12sing1.08Å1.06Å
C13C14doub1.39Å1.42ÅAromatic
C13C18sing1.39Å1.40ÅAromatic
C13N19sing1.40Å1.38Å
C14C15sing1.38Å1.41ÅAromatic
C14H14sing1.08Å1.06Å
C15C16doub1.38Å1.40ÅAromatic
C15H15sing1.08Å1.06Å
C16C17sing1.38Å1.40ÅAromatic
C16C25sing1.51Å1.54Å
C17C18doub1.38Å1.41ÅAromatic
C17H17sing1.08Å1.06Å
C18H18sing1.08Å1.06Å
N19H19sing0.97Å0.99Å
C21C22sing1.53Å1.56Å
C21C23sing1.53Å1.55Å
C21N24sing1.47Å1.48Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C22H223sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C23H233sing1.09Å1.10Å
N24H241sing1.01Å1.03Å
N24H242sing1.01Å1.03Å
C25C26sing1.53Å1.56Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C26N27sing1.47Å1.50Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
N27C28sing1.47Å1.50Å
N27C32sing1.47Å1.51Å
C28C29sing1.53Å1.56Å
C28H281sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C29O30sing1.43Å1.44Å
C29H291sing1.09Å1.10Å
C29H292sing1.09Å1.10Å
O30C31sing1.43Å1.44Å
C31C32sing1.53Å1.56Å
C31H311sing1.09Å1.10Å
C31H312sing1.09Å1.10Å
C32H321sing1.09Å1.10Å
C32H322sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C6122.3°121.0°
N1C2N3119.0°121.7°
N1C2N19117.5°119.1°
N1C6C5120.6°119.3°
N1C6H6119.7°120.4°
N3C2N19123.4°119.1°
C2N3C4121.5°120.7°
C2N19C13127.6°120.0°
C2N19H19116.2°120.0°
N3C4C5119.0°118.9°
N3C4C7117.6°120.6°
C5C4C7123.4°120.5°
C4C5C6117.5°118.4°
C4C5CL20123.5°120.8°
C4C7C8119.9°120.1°
C4C7C12121.1°120.1°
C6C5CL20119.0°120.8°
C5C6H6119.7°120.4°
C8C7C12119.0°119.8°
C7C8C9120.0°119.9°
C7C8H8120.0°120.1°
C7C12C11120.9°119.9°
C7C12H12119.5°120.1°
C9C8H8120.0°120.0°
C8C9C10121.4°120.1°
C8C9H9119.3°120.0°
C10C9H9119.3°119.9°
C9C10C11118.0°120.2°
C9C10C21118.9°119.9°
C11C10C21123.1°119.9°
C10C11C12120.7°120.2°
C10C11H11119.6°119.9°
C10C21C22114.4°109.4°
C10C21C23108.4°109.5°
C10C21N24107.2°109.5°
C12C11H11119.7°119.9°
C11C12H12119.6°120.1°
C14C13C18118.3°119.9°
C14C13N19118.8°120.1°
C13C14C15121.0°119.9°
C13C14H14119.5°120.1°
C18C13N19122.9°120.1°
C13C18C17120.4°119.9°
C13C18H18119.8°120.0°
C13N19H19116.2°120.0°
C15C14H14119.5°120.0°
C14C15C16120.2°120.0°
C14C15H15119.9°120.0°
C16C15H15119.9°120.0°
C15C16C17118.6°120.1°
C15C16C25121.3°119.9°
C17C16C25120.0°120.0°
C16C17C18121.5°120.1°
C16C17H17119.2°119.9°
C16C25C26108.9°109.5°
C16C25H251109.6°109.4°
C16C25H252109.8°109.5°
C18C17H17119.3°120.0°
C17C18H18119.8°120.0°
C22C21C23109.5°109.4°
C22C21N24108.9°109.5°
C21C22H221109.5°109.5°
C21C22H222109.5°109.5°
C21C22H223109.5°109.4°
C23C21N24108.3°109.5°
C21C23H231109.5°109.4°
C21C23H232109.5°109.5°
C21C23H233109.4°109.5°
C21N24H241109.5°106.7°
C21N24H242109.4°106.7°
H221C22H222109.4°109.4°
H221C22H223109.5°109.5°
H222C22H223109.5°109.5°
H231C23H232109.4°109.5°
H231C23H233109.4°109.4°
H232C23H233109.5°109.5°
H241N24H242109.5°106.7°
C26C25H251109.6°109.4°
C26C25H252109.8°109.5°
C25C26N27113.2°109.5°
C25C26H261108.5°109.4°
C25C26H262107.3°109.5°
H251C25H252109.1°109.5°
N27C26H261108.5°109.4°
N27C26H262107.3°109.5°
C26N27C28114.2°106.7°
C26N27C32111.3°106.8°
H261C26H262112.0°109.5°
C28N27C32109.6°106.7°
N27C28C29110.8°109.5°
N27C28H281109.2°109.4°
N27C28H282108.7°109.5°
N27C32C31111.5°109.6°
N27C32H321109.0°109.5°
N27C32H322108.3°109.5°
C29C28H281109.1°109.4°
C29C28H282108.7°109.4°
C28C29O30110.6°109.7°
C28C29H291109.2°109.4°
C28C29H292108.8°109.5°
H281C28H282110.3°109.5°
O30C29H291109.2°109.4°
O30C29H292108.8°109.5°
C29O30C31112.0°107.1°
H291C29H292110.2°109.3°
O30C31C32110.9°109.7°
O30C31H311109.1°109.5°
O30C31H312108.6°109.5°
C32C31H311109.1°109.4°
C32C31H312108.6°109.4°
C31C32H321108.9°109.4°
C31C32H322108.2°109.4°
H311C31H312110.4°109.4°
H321C32H322110.9°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N3N19179.8°180.0°
N1C2N3C40.3°0.0°
C2N1C6C50.1°0.2°
C2N1C6H6179.9°179.9°
N1C2N19C13179.1°5.5°
N1C2N19H190.9°174.5°
C6N1C2N30.3°0.0°
C6N1C2N19179.6°179.9°
N1C6C5C40.5°0.4°
N1C6C5H6180.0°179.9°
N1C6C5CL20179.7°180.0°
C2N3C4C50.1°0.2°
C2N3C4C7179.3°179.9°
N3C2N19C130.8°174.5°
N3C2N19H19179.3°5.5°
N19C2N3C4179.5°179.9°
C2N19C13C14173.9°146.4°
C2N19C13C186.2°33.9°
C2N19C13H19180.0°180.0°
N3C4C5C7179.4°179.8°
N3C4C5C60.5°0.4°
N3C4C5CL20179.7°180.0°
N3C4C7C830.8°40.0°
N3C4C7C12148.6°140.0°
C4C5C6CL20179.8°179.6°
C4C5C6H6179.5°179.7°
C5C4C7C8149.8°139.8°
C5C4C7C1230.7°40.3°
C7C4C5C6178.9°179.9°
C7C4C5CL200.9°0.2°
C4C7C8C12179.5°179.9°
C4C7C8C9179.6°179.9°
C4C7C8H80.4°0.0°
C4C7C12C11179.6°179.8°
C4C7C12H120.4°0.0°
CL20C5C6H60.3°0.1°
C7C8C9H8180.0°180.0°
C7C8C9C100.1°0.0°
C7C8C9H9179.9°180.0°
C8C7C12C110.1°0.3°
C8C7C12H12179.8°179.9°
C12C7C8C90.1°0.0°
C12C7C8H8179.9°180.0°
C7C12C11C100.1°0.5°
C7C12C11H12180.0°179.8°
C7C12C11H11179.8°180.0°
C8C9C10H9180.0°180.0°
C8C9C10C110.1°0.2°
C8C9C10C21179.9°180.0°
H8C8C9C10179.9°180.0°
H8C8C9H90.1°0.0°
C9C10C11C21179.7°179.7°
C9C10C11C120.1°0.5°
C9C10C11H11179.9°180.0°
C9C10C21C2220.6°150.0°
C9C10C21C23143.1°90.0°
C9C10C21N24100.2°30.0°
H9C9C10C11179.9°179.7°
H9C9C10C210.1°0.0°
C10C11C12H11180.0°179.5°
C10C11C12H12179.8°179.7°
C11C10C21C22159.7°29.7°
C11C10C21C2337.2°90.3°
C11C10C21N2479.5°149.7°
C21C10C11C12179.9°179.7°
C21C10C11H110.1°0.3°
C10C21C22C23121.9°120.0°
C10C21C22N24119.8°120.0°
C10C21C23N24115.9°120.0°
C10C21C22H221174.0°180.0°
C10C21C22H22266.1°60.0°
C10C21C22H22354.0°60.1°
C10C21C23H23116.0°59.9°
C10C21C23H232136.0°180.0°
C10C21C23H233104.0°60.0°
C10C21N24H24130.3°60.0°
C10C21N24H24289.7°53.8°
H11C11C12H120.2°0.2°
C14C13C18N19179.9°179.7°
C13C14C15H14180.0°180.0°
C13C14C15C160.1°0.0°
C13C14C15H15179.9°180.0°
C14C13C18C170.2°0.6°
C14C13C18H18179.8°180.0°
C14C13N19H196.1°33.6°
C18C13C14C150.2°0.3°
C18C13C14H14179.8°179.7°
C13C18C17C160.0°0.6°
C13C18C17H18180.0°179.5°
C13C18C17H17180.0°179.7°
C18C13N19H19173.8°146.1°
N19C13C14C15179.9°180.0°
N19C13C14H140.1°0.0°
N19C13C18C17180.0°179.7°
N19C13C18H180.0°0.3°
C14C15C16H15180.0°179.9°
C14C15C16C170.1°0.0°
C14C15C16C25180.0°180.0°
H14C14C15C16179.9°180.0°
H14C14C15H150.1°0.0°
C15C16C17C25179.9°180.0°
C15C16C17C180.1°0.3°
C15C16C17H17179.9°180.0°
C15C16C25C26109.3°90.0°
C15C16C25H25110.6°150.0°
C15C16C25H252130.5°30.0°
H15C15C16C17180.0°179.9°
H15C15C16C250.0°0.0°
C16C17C18H17180.0°179.7°
C16C17C18H18180.0°180.0°
C17C16C25C2670.8°90.0°
C17C16C25H251169.3°30.0°
C17C16C25H25249.5°150.0°
C25C16C17C18180.0°179.7°
C25C16C17H170.0°0.0°
C16C25C26H251119.9°120.0°
C16C25C26H252120.2°120.0°
C16C25H251H252120.2°120.0°
C16C25C26N27179.6°180.0°
C16C25C26H26159.1°60.0°
C16C25C26H26262.2°60.0°
H17C17C18H180.0°0.3°
C22C21C23N24118.6°120.0°
C21C22H221H222120.0°120.0°
C21C22H221H223120.0°120.0°
C21C22H222H223120.0°120.0°
C22C21C23H231141.4°60.0°
C22C21C23H23298.6°60.0°
C22C21C23H23321.5°180.0°
C22C21N24H241154.6°60.0°
C22C21N24H24234.5°173.8°
C23C21C22H22152.0°59.9°
C23C21C22H222172.0°60.0°
C23C21C22H22367.9°179.9°
C21C23H231H232120.0°120.0°
C21C23H231H233120.0°120.0°
C21C23H232H233120.0°120.1°
C23C21N24H24186.4°179.9°
C23C21N24H242153.6°66.3°
N24C21C22H22166.2°60.0°
N24C21C22H22253.8°180.0°
N24C21C22H223173.8°59.9°
N24C21C23H23199.9°180.0°
N24C21C23H23220.1°60.0°
N24C21C23H233140.1°60.0°
C21N24H241H242120.0°113.8°
H221C22H222H223120.0°120.0°
H231C23H232H233119.9°120.0°
C26C25H251H252120.3°120.0°
C25C26N27H261120.5°119.9°
C25C26N27H262118.2°120.0°
C25C26H261H262118.3°120.0°
C25C26N27C2833.3°180.0°
C25C26N27C32158.1°66.2°
H251C25C26N2760.5°60.1°
H251C25C26H261179.0°180.0°
H251C25C26H26257.7°59.9°
H252C25C26N2759.4°59.9°
H252C25C26H26161.2°60.0°
H252C25C26H262177.6°179.9°
N27C26H261H262118.3°120.0°
C26N27C28C32125.6°113.9°
C26N27C28C29179.7°173.1°
C26N27C28H28160.2°53.1°
C26N27C28H28260.3°66.9°
C26N27C32C31179.4°173.1°
C26N27C32H32159.1°66.9°
C26N27C32H32261.6°53.0°
H261C26N27C28153.8°60.1°
H261C26N27C3281.4°53.7°
H262C26N27C2884.9°60.0°
H262C26N27C3239.9°173.8°
N27C28C29H281120.2°120.0°
N27C28C29H282119.4°120.0°
N27C28H281H282119.4°120.0°
N27C28C29O3057.9°62.9°
N27C28C29H291178.1°177.1°
N27C28C29H29261.6°57.3°
C28N27C32C3153.3°59.2°
C28N27C32H321173.6°179.3°
C28N27C32H32265.7°60.8°
C32N27C28C2954.7°59.2°
C32N27C28H28165.5°60.8°
C32N27C28H282174.1°179.2°
N27C32C31O3054.6°62.9°
N27C32C31H321120.3°120.1°
N27C32C31H322119.0°120.0°
N27C32C31H31165.6°177.0°
N27C32C31H312173.9°57.2°
N27C32H321H322119.1°120.0°
C29C28H281H282119.4°119.9°
C28C29O30H291120.2°120.1°
C28C29O30H292119.5°120.2°
C28C29H291H292119.5°119.9°
C28C29O30C3159.4°63.2°
H281C28C29O3062.3°57.1°
H281C28C29H29157.9°62.9°
H281C28C29H292178.2°177.3°
H282C28C29O30177.3°177.1°
H282C28C29H29162.5°57.1°
H282C28C29H29257.9°62.8°
O30C29H291H292119.5°119.9°
C29O30C31C3257.7°63.1°
C29O30C31H31162.6°176.8°
C29O30C31H312177.0°56.9°
H291C29O30C31179.6°176.8°
H292C29O30C3160.1°57.0°
O30C31C32H311120.2°120.1°
O30C31C32H312119.3°120.1°
O30C31H311H312119.3°119.9°
O30C31C32H321174.9°177.0°
O30C31C32H32264.4°57.2°
C32C31H311H312119.3°119.8°
C31C32H321H322119.0°119.9°
H311C31C32H32154.7°56.9°
H311C31C32H322175.4°62.9°
H312C31C32H32165.8°62.9°
H312C31C32H32254.9°177.3°

226262

PDB entries from 2024-10-16

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