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1ST

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.39Å1.41ÅAromatic
C1C23sing1.42Å1.43ÅAromatic
C1H1sing1.09Å1.08Å
C2C3sing1.38Å1.40ÅAromatic
C2H2sing1.09Å1.08Å
C3C4doub1.40Å1.41ÅAromatic
C3H3sing1.09Å1.08Å
C4C5sing1.41Å1.44ÅAromatic
C4H4sing1.09Å1.08Å
C5C23doub1.43Å1.44ÅAromatic
C5N6sing1.41Å1.42ÅAromatic
N6C7sing1.38Å1.41ÅAromatic
N6C24sing1.46Å1.51Å
C7C22doub1.45Å1.43ÅAromatic
C7C8sing1.43Å1.45ÅAromatic
C8C16doub1.46Å1.43ÅAromatic
C8N9sing1.36Å1.38ÅAromatic
N9C10sing1.40Å1.40ÅAromatic
N9C28sing1.44Å1.48Å
C10C15sing1.43Å1.44ÅAromatic
C10C11doub1.41Å1.43ÅAromatic
C11C12sing1.39Å1.41ÅAromatic
C11H11sing1.09Å1.08Å
C12C13doub1.39Å1.40ÅAromatic
C12H12sing1.09Å1.08Å
C13C14sing1.40Å1.42ÅAromatic
C13O36sing1.36Å1.36Å
C14C15doub1.42Å1.42ÅAromatic
C14H14sing1.08Å1.08Å
C15C16sing1.46Å1.47ÅAromatic
C16C17sing1.39Å1.46ÅAromatic
C17C18sing1.45Å1.49Å
C17C21doub1.37Å1.41ÅAromatic
C18N19sing1.39Å1.35Å
C18O30doub1.22Å1.22Å
N19C20doub1.30Å1.47Å
C20C21sing1.43Å1.52Å
C20H20sing1.10Å1.08Å
C21C22sing1.38Å1.42ÅAromatic
C22C23sing1.45Å1.46ÅAromatic
C24C25sing1.56Å1.56Å
C24O29sing1.43Å1.44Å
C24C35sing1.55Å1.54Å
C25O33sing1.42Å1.46Å
C25C26sing1.53Å1.55Å
C25H25sing1.10Å1.10Å
C26C27sing1.52Å1.55Å
C26N31sing1.46Å1.51Å
C26H26sing1.10Å1.10Å
C27C28sing1.53Å1.54Å
C27H271sing1.10Å1.10Å
C27H272sing1.10Å1.10Å
C28O29sing1.41Å1.43Å
C28H28sing1.10Å1.10Å
N31C32sing1.46Å1.49Å
N31HN31sing1.02Å1.00Å
C32H321sing1.09Å1.10Å
C32H322sing1.09Å1.10Å
C32H323sing1.09Å1.10Å
O33C34sing1.42Å1.43Å
C34H341sing1.09Å1.10Å
C34H342sing1.09Å1.10Å
C34H343sing1.09Å1.10Å
C35H351sing1.09Å1.10Å
C35H352sing1.09Å1.10Å
C35H353sing1.10Å1.10Å
O36HO36sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C23117.7°121.2°
C2C1H1121.2°118.5°
C1C2C3121.5°119.9°
C1C2H2119.3°119.9°
C23C1H1121.1°120.2°
C1C23C5121.6°118.6°
C1C23C22131.0°130.2°
C3C2H2119.2°120.2°
C2C3C4122.0°120.7°
C2C3H3119.0°119.8°
C4C3H3119.0°119.4°
C3C4C5118.2°120.7°
C3C4H4121.0°118.2°
C5C4H4120.9°121.0°
C4C5C23119.1°118.8°
C4C5N6132.3°130.6°
C23C5N6108.6°110.6°
C5C23C22107.4°111.2°
C5N6C7107.7°100.6°
C5N6C24129.9°126.8°
C7N6C24122.4°132.1°
N6C7C22110.1°120.3°
N6C7C8130.0°125.7°
N6C24C25109.2°115.7°
N6C24O29112.0°109.1°
N6C24C35112.5°111.1°
C22C7C8119.8°113.9°
C7C22C21120.1°127.6°
C7C22C23106.1°97.1°
C7C8C16119.8°115.9°
C7C8N9130.3°124.3°
C16C8N9109.8°119.7°
C8C16C15105.4°96.7°
C8C16C17119.7°127.1°
C8N9C10109.6°102.1°
C8N9C28127.7°132.6°
C10N9C28122.7°124.9°
N9C10C15107.9°110.4°
N9C10C11131.7°128.7°
N9C28C27113.8°115.5°
N9C28O29110.0°109.0°
N9C28H28107.6°104.9°
C15C10C11120.4°120.8°
C10C15C14120.7°117.4°
C10C15C16107.2°111.0°
C10C11C12117.7°119.6°
C10C11H11121.1°121.0°
C12C11H11121.1°119.3°
C11C12C13121.9°120.6°
C11C12H12119.1°119.8°
C13C12H12119.0°119.6°
C12C13C14121.4°120.4°
C12C13O36119.2°119.9°
C14C13O36119.4°119.7°
C13C14C15117.8°121.1°
C13C14H14121.1°118.0°
C13O36HO36109.5°110.3°
C15C14H14121.1°120.9°
C14C15C16132.1°131.6°
C15C16C17134.9°136.2°
C16C17C18132.9°136.7°
C16C17C21119.4°116.8°
C18C17C21107.6°106.4°
C17C18N19110.7°107.9°
C17C18O30125.1°124.9°
C17C21C20106.4°106.1°
C17C21C22121.1°118.6°
N19C18O30124.2°127.2°
C18N19C20108.7°107.6°
N19C20C21106.5°112.0°
N19C20H20126.7°123.4°
C21C20H20126.7°124.6°
C20C21C22132.5°135.3°
C21C22C23133.8°135.3°
C25C24O29112.2°110.2°
C25C24C35106.7°109.1°
C24C25O33109.3°113.5°
C24C25C26108.7°115.2°
C24C25H25109.6°106.5°
O29C24C35104.1°100.6°
C24O29C28120.2°116.8°
C24C35H351109.5°110.6°
C24C35H352109.5°110.6°
C24C35H353109.5°110.5°
O33C25C26108.1°110.1°
O33C25H25110.2°105.1°
C25O33C34108.2°111.6°
C26C25H25110.9°105.5°
C25C26C27107.9°108.2°
C25C26N31110.2°113.4°
C25C26H26111.3°108.4°
C27C26N31113.1°112.5°
C27C26H26108.4°108.8°
C26C27C28110.2°114.2°
C26C27H271109.2°110.9°
C26C27H272109.1°106.7°
N31C26H26105.9°105.3°
C26N31C32112.7°110.7°
C26N31HN31108.4°108.9°
C28C27H271109.2°111.5°
C28C27H272109.0°107.2°
C27C28O29113.7°115.9°
C27C28H28103.5°106.3°
H271C27H272110.0°106.0°
O29C28H28107.8°103.9°
C32N31HN31108.4°109.5°
N31C32H321109.5°110.1°
N31C32H322109.5°110.2°
N31C32H323109.4°110.2°
H321C32H322109.4°108.8°
H321C32H323109.5°108.8°
H322C32H323109.5°108.7°
O33C34H341109.5°109.5°
O33C34H342109.5°109.5°
O33C34H343109.5°109.0°
H341C34H342109.5°110.1°
H341C34H343109.5°109.3°
H342C34H343109.5°109.4°
H351C35H352109.5°108.4°
H351C35H353109.5°108.3°
H352C35H353109.5°108.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C23H1180.0°179.4°
C1C2C3H2180.0°179.5°
C1C2C3C40.3°0.6°
C1C2C3H3179.7°179.8°
C2C1C23C50.2°0.7°
C2C1C23C22178.7°177.5°
C23C1C2C30.2°0.4°
C23C1C2H2179.8°179.9°
C1C23C5C40.2°1.5°
C1C23C5C22178.8°178.5°
C1C23C5N6179.6°178.0°
C1C23C22C7179.2°179.1°
C1C23C22C210.8°0.5°
H1C1C2C3179.7°179.0°
H1C1C2H20.3°0.5°
H1C1C23C5179.8°180.0°
H1C1C23C221.3°1.9°
C2C3C4H3180.0°179.6°
C2C3C4C50.4°0.2°
C2C3C4H4179.6°178.4°
H2C2C3C4179.7°179.8°
H2C2C3H30.3°0.3°
C3C4C5H4180.0°178.2°
C3C4C5C230.3°1.3°
C3C4C5N6179.5°178.1°
H3C3C4C5179.7°179.4°
H3C3C4H40.3°1.1°
C4C5C23N6179.8°179.5°
C4C5N6C7179.1°176.2°
C4C5N6C241.1°10.6°
C4C5C23C22179.0°177.0°
H4C4C5C23179.7°179.4°
H4C4C5N60.5°0.1°
C23C5N6C70.7°4.4°
C23C5N6C24178.7°168.8°
C5C23C22C70.6°0.8°
C5C23C22C21179.5°177.8°
C5N6C7C24178.2°172.7°
C5N6C7C220.3°4.4°
C5N6C7C8178.3°172.6°
N6C5C23C220.8°3.5°
C5N6C24C2586.5°80.4°
C5N6C24O29148.6°154.7°
C5N6C24C3531.8°44.7°
N6C7C22C8178.8°177.3°
N6C7C8C16178.2°178.3°
N6C7C8N91.6°0.8°
N6C7C22C21179.9°178.9°
N6C7C22C230.2°2.4°
C7N6C24C2591.3°108.5°
C7N6C24O2933.6°16.4°
C7N6C24C35150.4°126.4°
C24N6C7C22178.5°168.4°
C24N6C7C80.1°14.7°
N6C24C25O29124.8°124.3°
N6C24C25C35121.9°126.2°
N6C24O29C35121.8°116.9°
N6C24C25O3327.3°56.6°
N6C24C25C26145.0°71.7°
N6C24C25H2593.7°171.8°
N6C24O29C2885.9°78.0°
N6C24C35H351169.6°88.4°
N6C24C35H35270.4°151.5°
N6C24C35H35349.6°31.5°
C22C7C8C160.3°1.2°
C22C7C8N9179.9°176.3°
C7C22C21C171.2°3.1°
C7C22C21C20179.7°179.7°
C7C22C21C23179.9°178.2°
C7C8C16N9179.8°177.7°
C7C8N9C10178.2°176.5°
C7C8N9C281.1°10.7°
C7C8C16C15178.6°177.3°
C7C8C16C171.6°1.9°
C8C7C22C211.1°3.8°
C8C7C22C23179.0°174.9°
C16C8N9C101.6°0.9°
C16C8N9C28179.0°171.9°
C8C16C15C100.4°0.3°
C8C16C15C14178.0°179.6°
C8C16C15C17179.7°179.0°
C8C16C17C18179.5°179.8°
C8C16C17C211.5°2.7°
C8N9C10C28179.4°173.5°
C8N9C10C151.4°1.1°
C8N9C10C11179.3°179.6°
N9C8C16C151.2°0.4°
N9C8C16C17178.6°179.5°
C8N9C28C27101.8°106.2°
C8N9C28O2927.1°26.3°
C8N9C28H28144.2°137.1°
N9C10C15C11179.4°179.4°
N9C10C11C12179.3°179.5°
N9C10C11H110.7°0.8°
N9C10C15C14179.2°179.7°
N9C10C15C160.6°0.9°
C10N9C28C2777.5°82.4°
C10N9C28O29153.7°145.1°
C10N9C28H2836.5°34.3°
C28N9C10C15179.3°172.5°
C28N9C10C110.0°6.9°
N9C28O29C2480.1°84.1°
N9C28C27C26127.6°83.7°
N9C28C27O29127.0°129.3°
N9C28C27H28116.4°115.8°
N9C28C27H271112.4°42.9°
N9C28C27H2727.9°158.4°
N9C28O29H28117.0°111.4°
C15C10C11C121.5°0.1°
C15C10C11H11178.5°179.8°
C10C15C14C130.5°0.2°
C10C15C14C16178.2°179.3°
C10C15C14H14179.5°179.7°
C10C15C16C17179.4°178.7°
C10C11C12H11180.0°179.7°
C10C11C12C130.7°0.1°
C10C11C12H12179.3°180.0°
C11C10C15C141.4°0.2°
C11C10C15C16180.0°179.6°
C11C12C13H12180.0°180.0°
C11C12C13C140.2°0.0°
C11C12C13O36179.3°179.9°
H11C11C12C13179.3°179.8°
H11C11C12H120.7°0.3°
C12C13C14O36179.5°179.9°
C12C13C14C150.3°0.1°
C12C13C14H14179.7°179.8°
C12C13O36HO36179.7°119.5°
H12C12C13C14179.8°180.0°
H12C12C13O360.7°0.1°
C13C14C15H14180.0°179.9°
C13C14C15C16178.7°179.5°
C14C13O36HO360.8°60.6°
O36C13C14C15179.2°180.0°
O36C13C14H140.8°0.1°
C14C15C16C172.2°0.6°
H14C14C15C161.3°0.4°
C15C16C17C180.2°1.0°
C15C16C17C21178.8°176.1°
C16C17C18C21179.1°177.3°
C16C17C18N19179.3°177.1°
C16C17C18O301.2°3.0°
C16C17C21C20179.2°177.6°
C16C17C21C220.1°0.3°
C17C18N19O30179.5°179.9°
C17C18N19C200.3°0.1°
C18C17C21C200.0°0.3°
C18C17C21C22179.3°178.2°
C21C17C18N190.2°0.2°
C21C17C18O30179.6°179.7°
C17C21C20N190.2°0.3°
C17C21C20C22179.2°177.4°
C17C21C20H20179.8°179.7°
C17C21C22C23178.9°175.1°
C18N19C20C210.3°0.2°
C18N19C20H20179.7°179.8°
O30C18N19C20179.8°179.9°
N19C20C21H20180.0°180.0°
N19C20C21C22179.4°177.7°
C20C21C22C230.2°2.0°
H20C20C21C220.6°2.3°
C25C24O29C35114.9°115.1°
C24C25O33C26118.1°130.9°
C24C25O33H25120.6°116.0°
C24C25C26H25120.6°117.1°
C24C25C26C2764.6°50.3°
C24C25C26N31171.5°75.2°
C24C25C26H2654.2°168.2°
C25C24O29C2837.4°50.0°
C24C25O33C34117.1°169.1°
C25C24C35H35170.6°142.8°
C25C24C35H35249.4°22.7°
C25C24C35H353169.4°97.2°
O29C24C25O3397.5°179.1°
O29C24C25C2620.2°52.6°
O29C24C25H25141.6°64.0°
C24O29C28C2748.8°48.2°
C24O29C28H28162.8°164.5°
O29C24C35H35148.2°26.9°
O29C24C35H352168.2°93.1°
O29C24C35H35371.8°146.9°
C35C24C25O33149.2°69.6°
C35C24C25C2693.1°162.1°
C35C24C25H2528.2°45.6°
C35C24O29C28152.3°165.1°
C24C35H351H352120.0°121.4°
C24C35H351H353120.0°121.3°
C24C35H352H353120.0°121.3°
O33C25C26H25120.9°112.9°
O33C25C26C2753.9°179.7°
O33C25C26N3170.0°54.8°
O33C25C26H26172.7°61.9°
C25O33C34H34156.1°25.0°
C25O33C34H342176.0°145.7°
C25O33C34H34364.0°94.6°
C25C26C27N31122.2°126.1°
C25C26C27H26120.7°117.6°
C25C26N31H26120.6°118.4°
C25C26C27C2854.2°45.3°
C25C26C27H271174.2°172.2°
C25C26C27H27265.5°72.9°
C25C26N31C3293.3°176.4°
C25C26N31HN31146.7°63.2°
C26C25O33C34124.8°60.0°
H25C25C26C27174.8°66.8°
H25C25C26N3150.9°167.7°
H25C25C26H2666.4°51.1°
H25C25O33C343.5°53.2°
C27C26N31H26118.6°118.4°
C26C27C28H271120.0°126.6°
C26C27C28H272119.7°117.9°
C26C27H271H272119.7°115.4°
C26C27C28O290.6°45.6°
C26C27C28H28115.9°160.5°
C27C26N31C3227.5°60.4°
C27C26N31HN3192.4°60.0°
N31C26C27C28176.3°80.8°
N31C26C27H27163.7°46.1°
N31C26C27H27256.6°161.0°
C26N31C32HN31120.0°120.1°
C26N31C32H32166.2°72.1°
C26N31C32H322173.8°48.0°
C26N31C32H32353.8°167.9°
H26C26C27C2866.5°162.9°
H26C26C27H27153.5°70.2°
H26C26C27H272173.8°44.7°
H26C26N31C32146.1°58.0°
H26C26N31HN3126.1°178.4°
C28C27H271H272119.7°116.3°
C27C28O29H28114.0°116.2°
H271C27C28O29120.6°172.2°
H271C27C28H284.1°72.9°
H272C27C28O29119.1°72.3°
H272C27C28H28124.4°42.6°
N31C32H321H322120.0°120.9°
N31C32H321H323120.0°120.8°
N31C32H322H323120.0°120.8°
HN31N31C32H321173.8°48.0°
HN31N31C32H32253.8°168.0°
HN31N31C32H32366.2°72.0°
H321C32H322H323120.0°118.4°
O33C34H341H342120.0°120.4°
O33C34H341H343120.0°119.3°
O33C34H342H343120.0°119.4°
H341C34H342H343120.0°120.2°
H351C35H352H353120.0°117.3°

225946

PDB entries from 2024-10-09

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