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NC8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
BR1C17sing1.89Å1.96Å
C18C17doub1.38Å1.39ÅAromatic
C18C19sing1.38Å1.40ÅAromatic
C17C16sing1.38Å1.42ÅAromatic
C19C13doub1.40Å1.42ÅAromatic
C16C15doub1.38Å1.39ÅAromatic
C13C15sing1.40Å1.39ÅAromatic
C13C12sing1.48Å1.51Å
O2C12sing1.35Å1.39Å
O2C11sing1.45Å1.43Å
C12O3doub1.21Å1.20Å
C1C14sing1.51Å1.48Å
C1N1sing1.47Å1.44Å
C14C10doub1.30Å1.49Å
N1C2sing1.46Å1.44Å
C9C10sing1.51Å1.49Å
C9C3sing1.53Å1.50Å
C10C11sing1.51Å1.47Å
C3C2sing1.52Å1.51Å
C3C4sing1.53Å1.56Å
C4N2sing1.47Å1.48Å
O1C7doub1.21Å1.22Å
N2C7sing1.35Å1.45Å
N2C5sing1.47Å1.42Å
C7C30sing1.51Å1.54Å
C5C6sing1.51Å1.56Å
C30C8sing1.51Å1.52Å
C25C26doub1.38Å1.36ÅAromatic
C25C8sing1.38Å1.39ÅAromatic
C26C27sing1.39Å1.41ÅAromatic
C8C29doub1.38Å1.40ÅAromatic
C6C20doub1.38Å1.36ÅAromatic
C6C24sing1.38Å1.42ÅAromatic
C20C21sing1.38Å1.42ÅAromatic
C27C28doub1.39Å1.38ÅAromatic
C27N4sing1.40Å1.41Å
C29C28sing1.38Å1.37ÅAromatic
C24C23doub1.38Å1.39ÅAromatic
C21C22doub1.39Å1.40ÅAromatic
C23C22sing1.39Å1.38ÅAromatic
C22N3sing1.40Å1.48Å
C1H11sing1.09Å1.10Å
C1H21sing1.09Å1.10Å
N1H1N1sing1.01Å1.00Å
N1H2N1sing1.01Å1.00Å
C2H12sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
N3H1N3sing0.97Å1.00Å
N3H2N3sing0.97Å1.00Å
C4H14sing1.09Å1.10Å
C4H24sing1.09Å1.10Å
N4H1N4sing0.97Å1.00Å
N4H2N4sing0.97Å1.00Å
C5H15sing1.09Å1.10Å
C5H25sing1.09Å1.10Å
C9H19sing1.09Å1.10Å
C9H29sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H211sing1.09Å1.10Å
C14H14Asing1.08Å1.08Å
C15H15Asing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C19H19Asing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C21H21Asing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C24H24Asing1.08Å1.08Å
C25H25Asing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
C29H29Asing1.08Å1.08Å
C30H130sing1.09Å1.10Å
C30H230sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
BR1C17C18120.8°119.9°
BR1C17C16118.6°119.8°
C17C18C19120.2°120.2°
C18C17C16120.6°120.3°
C17C18H18119.9°120.0°
C18C19C13118.8°119.8°
C19C18H18119.9°119.9°
C18C19H19A120.6°120.1°
C17C16C15119.3°120.1°
C17C16H16120.3°120.0°
C19C13C15120.9°119.8°
C19C13C12119.7°120.2°
C13C19H19A120.6°120.1°
C16C15C13120.1°119.8°
C16C15H15A119.9°120.1°
C15C16H16120.4°119.9°
C15C13C12119.4°120.1°
C13C15H15A120.0°120.1°
C13C12O2117.6°119.9°
C13C12O3120.2°120.1°
C12O2C11118.6°117.0°
O2C12O3119.2°120.0°
O2C11C10108.0°109.5°
O2C11H111110.0°109.5°
O2C11H211109.9°109.5°
C14C1N1118.5°108.8°
C1C14C10123.9°120.5°
C14C1H11106.6°109.6°
C14C1H21106.6°109.6°
C1C14H14A118.1°119.7°
C1N1C2113.6°111.1°
N1C1H11106.6°109.6°
N1C1H21106.6°109.6°
C1N1H1N1108.1°109.2°
C1N1H2N1108.1°109.2°
C14C10C9121.3°119.7°
C14C10C11117.8°120.1°
C10C14H14A118.1°119.8°
N1C2C3114.1°114.2°
C2N1H1N1108.1°109.1°
C2N1H2N1108.1°109.1°
N1C2H12108.0°108.5°
N1C2H22108.0°108.6°
C10C9C3111.5°108.2°
C9C10C11120.6°120.2°
C10C9H19108.8°109.8°
C10C9H29108.8°109.7°
C9C3C2113.1°110.6°
C9C3C4110.5°109.3°
C9C3H3105.6°109.2°
C3C9H19108.8°109.7°
C3C9H29108.8°109.7°
C10C11H111109.9°109.4°
C10C11H211110.0°109.4°
C2C3C4107.3°109.2°
C3C2H12108.0°108.6°
C3C2H22108.0°108.4°
C2C3H3108.8°109.2°
C3C4N2112.5°109.5°
C4C3H3111.5°109.2°
C3C4H14108.5°109.5°
C3C4H24108.5°109.5°
C4N2C7119.2°120.0°
C4N2C5119.8°120.0°
N2C4H14108.5°109.4°
N2C4H24108.5°109.5°
O1C7N2118.5°120.0°
O1C7C30122.6°120.0°
C7N2C5121.0°120.0°
N2C7C30118.8°120.0°
N2C5C6108.6°109.4°
N2C5H15109.8°109.5°
N2C5H25109.8°109.5°
C7C30C8112.1°109.5°
C7C30H130108.6°109.5°
C7C30H230108.6°109.5°
C5C6C20119.4°119.9°
C5C6C24120.4°119.9°
C6C5H15109.8°109.5°
C6C5H25109.8°109.4°
C30C8C25120.5°119.9°
C30C8C29119.8°120.0°
C8C30H130108.6°109.5°
C8C30H230108.6°109.5°
C26C25C8120.1°120.1°
C25C26C27120.2°119.9°
C26C25H25A119.9°119.9°
C25C26H26119.9°120.0°
C25C8C29119.6°120.1°
C8C25H25A119.9°120.0°
C26C27C28119.5°119.8°
C26C27N4120.7°120.1°
C27C26H26119.9°120.0°
C8C29C28120.2°120.1°
C8C29H29A119.9°120.0°
C20C6C24120.2°120.2°
C6C20C21120.2°120.1°
C6C20H20119.9°120.0°
C6C24C23119.6°120.0°
C6C24H24A120.2°120.0°
C20C21C22119.6°119.9°
C21C20H20119.9°119.9°
C20C21H21A120.2°120.0°
C28C27N4119.8°120.1°
C27C28C29120.3°119.9°
C27C28H28119.9°120.1°
C27N4H1N4109.5°120.0°
C27N4H2N4109.4°120.0°
C29C28H28119.9°120.0°
C28C29H29A119.8°119.9°
C24C23C22120.1°119.9°
C24C23H23120.0°120.0°
C23C24H24A120.2°120.0°
C21C22C23120.3°119.9°
C21C22N3119.6°120.0°
C22C21H21A120.2°120.0°
C23C22N3120.1°120.1°
C22C23H23119.9°120.1°
C22N3H1N3109.5°120.1°
C22N3H2N3109.4°120.0°
H11C1H21112.2°109.7°
H1N1N1H2N1110.8°109.1°
H12C2H22110.9°108.5°
H1N3N3H2N3109.5°120.0°
H14C4H24110.4°109.5°
H1N4N4H2N4109.5°120.0°
H15C5H25109.2°109.5°
H19C9H29110.1°109.7°
H111C11H211109.0°109.5°
H130C30H230110.3°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
BR1C17C18C16179.9°180.0°
BR1C17C18C19179.7°179.7°
BR1C17C16C15179.8°180.0°
BR1C17C16H160.1°0.0°
BR1C17C18H180.3°0.0°
C17C18C19H18180.0°179.7°
C17C18C19C130.3°0.6°
C18C17C16C150.1°0.0°
C18C17C16H16179.9°180.0°
C17C18C19H19A179.7°180.0°
C19C18C17C160.3°0.3°
C18C19C13H19A180.0°179.5°
C18C19C13C150.1°0.6°
C18C19C13C12179.7°179.7°
C17C16C15H16180.0°180.0°
C17C16C15C130.1°0.0°
C17C16C15H15A180.0°179.9°
C16C17C18H18179.7°180.0°
C19C13C15C160.0°0.3°
C19C13C15C12179.8°179.7°
C19C13C12O213.1°0.2°
C19C13C12O3173.5°179.7°
C19C13C15H15A180.0°179.8°
C13C19C18H18179.7°179.7°
C16C15C13H15A180.0°179.9°
C16C15C13C12179.9°180.0°
C15C13C12O2167.0°180.0°
C15C13C12O36.7°0.0°
C13C15C16H16179.9°180.0°
C15C13C19H19A179.8°180.0°
C13C12O2O3160.5°180.0°
C13C12O2C11176.0°180.0°
C12C13C15H15A0.2°0.1°
C12C13C19H19A0.3°0.2°
C12O2C11C10175.6°180.0°
C12O2C11H11164.5°60.0°
C12O2C11H21155.5°60.0°
C11O2C12O315.5°0.0°
O2C11C10C14102.8°0.0°
O2C11C10C970.4°180.0°
O2C11C10H111120.0°120.1°
O2C11C10H211120.0°120.0°
O2C11H111H211120.6°120.1°
C14C1N1H11120.0°119.8°
C14C1N1H21120.0°119.8°
C1C14C10H14A180.0°180.0°
C14C1N1C252.0°87.3°
C1C14C10C917.5°0.2°
C1C14C10C11169.2°179.8°
C14C1H11H21116.3°120.3°
C14C1N1H1N1172.0°152.3°
C14C1N1H2N168.0°33.1°
N1C1C14C101.4°72.4°
C1N1C2H1N1120.0°120.4°
C1N1C2H2N1120.0°120.5°
C1N1C2C393.5°68.4°
N1C1H11H21116.3°120.4°
C1N1H1N1H2N1118.3°119.3°
C1N1C2H1226.5°52.8°
C1N1C2H22146.5°170.6°
N1C1C14H14A178.6°107.6°
C14C10C9C11173.0°180.0°
C14C10C9C373.5°69.8°
C10C14C1H11121.4°167.8°
C10C14C1H21118.6°47.4°
C14C10C9H1946.5°49.9°
C14C10C9H29166.5°170.5°
C14C10C11H111137.2°120.0°
C14C10C11H21117.2°120.0°
N1C2C3C930.8°67.0°
N1C2C3H12120.0°121.2°
N1C2C3H22120.0°121.1°
N1C2C3C4152.9°172.7°
C2N1C1H1168.0°152.9°
C2N1C1H21172.0°32.5°
C2N1H1N1H2N1118.3°119.2°
N1C2H12H22118.1°117.8°
N1C2C3H386.2°53.3°
C10C9C3H19120.0°119.8°
C10C9C3H29120.0°119.7°
C10C9C3C254.1°84.3°
C10C9C3C466.3°155.4°
C10C9C3H3173.0°36.0°
C10C9H19H29119.2°120.6°
C9C10C11H11149.5°59.9°
C9C10C11H211169.6°60.0°
C9C10C14H14A162.4°179.7°
C3C9C10C11113.5°110.1°
C9C3C2C4122.1°120.3°
C9C3C2H3117.0°120.3°
C9C3C4H3117.1°119.4°
C9C3C4N283.6°63.9°
C9C3C2H1289.2°54.2°
C9C3C2H22150.8°171.9°
C9C3C4H1436.4°176.2°
C9C3C4H24156.4°56.1°
C3C9H19H29119.2°120.6°
C11C10C9H19126.5°130.1°
C11C10C9H296.6°9.5°
C10C11H111H211120.6°119.9°
C11C10C14H14A10.8°0.2°
C2C3C4H3119.1°119.4°
C2C3C4N2152.6°175.0°
C3C2N1H1N1146.5°171.2°
C3C2N1H2N126.5°52.1°
C3C2H12H22118.1°117.6°
C2C3C4H1487.4°55.0°
C2C3C4H2432.6°65.0°
C2C3C9H1965.9°35.5°
C2C3C9H29174.1°156.1°
C3C4N2H14120.0°120.0°
C3C4N2H24120.0°120.0°
C3C4N2C7116.0°90.0°
C3C4N2C566.4°90.0°
C4C3C2H1232.9°66.1°
C4C3C2H2287.1°51.6°
C3C4H14H24118.8°120.0°
C4C3C9H19173.7°84.8°
C4C3C9H2953.7°35.8°
C4N2C7O11.7°4.0°
C4N2C7C5177.6°179.9°
C4N2C7C30179.5°176.0°
C4N2C5C678.2°85.9°
N2C4C3H333.5°55.6°
N2C4H14H24118.7°120.0°
C4N2C5H1541.8°34.1°
C4N2C5H25161.8°154.1°
O1C7N2C30178.7°180.0°
O1C7N2C5179.4°175.9°
O1C7C30C825.7°5.5°
O1C7C30H130145.6°114.4°
O1C7C30H23094.4°125.5°
C7N2C5C699.4°94.1°
N2C7C30C8155.7°174.5°
C7N2C4H144.1°150.1°
C7N2C4H24124.0°30.1°
C7N2C5H15140.6°145.9°
C7N2C5H2520.6°25.8°
N2C7C30H13035.7°65.5°
N2C7C30H23084.3°54.5°
C5N2C7C301.9°4.1°
N2C5C6H15120.0°120.0°
N2C5C6H25120.0°120.0°
N2C5C6C20139.8°84.1°
N2C5C6C2439.2°96.2°
C5N2C4H14173.6°30.0°
C5N2C4H2453.6°150.0°
N2C5H15H25120.4°120.1°
C7C30C8H130120.0°120.0°
C7C30C8H230120.0°120.0°
C7C30C8C25114.9°89.7°
C7C30C8C2965.9°90.0°
C7C30H130H230118.9°120.0°
C5C6C20C24179.1°179.7°
C5C6C20C21179.7°180.0°
C5C6C24C23179.7°179.8°
C6C5H15H25120.3°120.0°
C5C6C20H200.3°0.1°
C5C6C24H24A0.3°0.0°
C30C8C25C26179.5°179.7°
C30C8C25C29179.2°179.7°
C30C8C29C28179.6°179.7°
C30C8C25H25A0.5°0.3°
C30C8C29H29A0.4°0.3°
C8C30H130H230118.9°120.0°
C26C25C8H25A180.0°180.0°
C25C26C27H26180.0°179.9°
C26C25C8C290.3°0.0°
C25C26C27C280.3°0.1°
C25C26C27N4180.0°180.0°
C8C25C26C270.1°0.1°
C25C8C29C280.4°0.0°
C8C25C26H26179.9°180.0°
C25C8C29H29A179.6°180.0°
C25C8C30H130125.1°150.3°
C25C8C30H2305.1°30.3°
C26C27C28N4179.8°179.9°
C26C27C28C290.1°0.1°
C26C27N4H1N4180.0°0.1°
C26C27N4H2N460.0°180.0°
C27C26C25H25A179.9°179.9°
C26C27C28H28179.8°180.0°
C8C29C28C270.2°0.0°
C8C29C28H29A180.0°180.0°
C29C8C25H25A179.7°180.0°
C8C29C28H28179.8°179.9°
C29C8C30H13054.1°30.0°
C29C8C30H230174.1°150.0°
C6C20C21H20180.0°179.9°
C20C6C24C231.3°0.6°
C6C20C21C220.8°0.0°
C20C6C5H1519.8°35.8°
C20C6C5H25100.2°155.9°
C6C20C21H21A179.2°180.0°
C20C6C24H24A178.8°179.7°
C24C6C20C211.3°0.3°
C6C24C23H24A180.0°179.8°
C6C24C23C220.7°0.5°
C24C6C5H15159.3°143.8°
C24C6C5H2580.8°23.8°
C24C6C20H20178.7°179.8°
C6C24C23H23179.3°179.7°
C20C21C22H21A180.0°180.0°
C20C21C22C230.3°0.0°
C20C21C22N3179.7°180.0°
C27C28C29H28180.0°179.9°
C28C27N4H1N40.2°180.0°
C28C27N4H2N4119.8°0.0°
C28C27C26H26179.7°180.0°
C27C28C29H29A179.8°180.0°
N4C27C28C29179.9°180.0°
C27N4H1N4H2N4120.0°180.0°
N4C27C26H260.0°0.1°
N4C27C28H280.1°0.1°
C24C23C22C210.3°0.2°
C24C23C22H23180.0°179.8°
C24C23C22N3179.7°179.8°
C21C22C23N3180.0°180.0°
C21C22N3H1N3180.0°0.0°
C21C22N3H2N360.0°180.0°
C22C21C20H20179.2°180.0°
C21C22C23H23179.7°180.0°
C23C22N3H1N30.0°180.0°
C23C22N3H2N3120.0°0.0°
C23C22C21H21A179.7°180.0°
C22C23C24H24A179.3°179.7°
C22N3H1N3H2N3120.0°180.0°
N3C22C21H21A0.3°0.0°
N3C22C23H230.3°0.0°
H11C1N1H1N152.0°32.5°
H11C1N1H2N1172.0°86.7°
H11C1C14H14A58.6°12.2°
H21C1N1H1N168.0°87.9°
H21C1N1H2N152.0°152.9°
H21C1C14H14A61.4°132.6°
H1N1N1C2H1293.5°67.6°
H1N1N1C2H2226.5°50.1°
H2N1N1C2H12146.6°173.3°
H2N1N1C2H2293.5°69.0°
H12C2C3H3153.8°174.5°
H22C2C3H333.8°67.9°
H3C3C4H14153.5°64.4°
H3C3C4H2486.5°175.6°
H3C3C9H1953.0°155.8°
H3C3C9H2967.0°83.7°
H15AC15C16H160.0°0.1°
H18C18C19H19A0.3°0.2°
H20C20C21H21A0.8°0.1°
H23C23C24H24A0.7°0.1°
H25AC25C26H260.1°0.0°
H28C28C29H29A0.2°0.0°

223532

PDB entries from 2024-08-07

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