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A1B8T

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL1C18sing1.74Å1.75Å
C19C20doub1.39Å1.39ÅAromatic
C19C18sing1.38Å1.38ÅAromatic
N4C20sing1.37Å1.35ÅAromatic
N4N5sing1.40Å1.36ÅAromatic
C20C22sing1.41Å1.41ÅAromatic
C18C17doub1.39Å1.41ÅAromatic
N5C21doub1.30Å1.32ÅAromatic
C22C21sing1.46Å1.42ÅAromatic
C22C16doub1.40Å1.42ÅAromatic
C17C16sing1.36Å1.40ÅAromatic
C16C7sing1.51Å1.53Å
O1C1doub1.21Å1.23Å
C7C1sing1.51Å1.54Å
C7N2sing1.46Å1.44Å
C1N1sing1.35Å1.34Å
C6C5sing1.53Å1.52Å
C6C2sing1.53Å1.52Å
N2C8sing1.40Å1.40Å
C5O2sing1.43Å1.43Å
N1C2sing1.46Å1.46Å
C2C3sing1.53Å1.52Å
C8C13doub1.39Å1.40ÅAromatic
C8C9sing1.39Å1.40ÅAromatic
O2C4sing1.43Å1.43Å
C13C12sing1.38Å1.39ÅAromatic
C9C10doub1.38Å1.39ÅAromatic
C3C4sing1.53Å1.51Å
C12C11doub1.38Å1.39ÅAromatic
C12C14sing1.51Å1.50Å
C10C11sing1.38Å1.39ÅAromatic
C11C15sing1.51Å1.50Å
C14N3sing1.48Å1.47Å
C15N3sing1.48Å1.47Å
N1H1sing0.97Å1.00Å
N3H2sing1.01Å1.00Å
C4H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C6H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C7H10sing1.09Å1.10Å
C10H11sing1.08Å1.08Å
C13H12sing1.08Å1.08Å
C15H13sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C17H15sing1.08Å1.08Å
C21H16sing1.08Å1.08Å
C2H17sing1.09Å1.10Å
C3H18sing1.09Å1.10Å
C3H19sing1.09Å1.10Å
N2H20sing0.97Å1.00Å
C9H21sing1.08Å1.08Å
C14H22sing1.09Å1.10Å
C14H23sing1.09Å1.10Å
C19H24sing1.08Å1.08Å
N4H25sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL1C18C19116.9°119.7°
CL1C18C17120.5°119.7°
C20C19C18116.8°119.8°
C19C20N4130.4°133.8°
C19C20C22122.4°119.5°
C20C19H24121.6°120.1°
C19C18C17122.5°120.6°
C18C19H24121.6°120.1°
C20N4N5111.0°109.0°
N4C20C22107.1°106.7°
C20N4H25124.5°125.5°
N4N5C21106.7°110.1°
N5N4H25124.5°125.5°
C20C22C21104.3°106.3°
C20C22C16120.0°119.7°
C18C17C16120.6°120.6°
C18C17H15119.7°119.7°
N5C21C22110.9°107.8°
N5C21H16124.6°126.1°
C21C22C16135.5°134.0°
C22C21H16124.5°126.1°
C22C16C17117.5°119.8°
C22C16C7119.0°120.1°
C17C16C7123.5°120.1°
C16C17H15119.6°119.7°
C16C7C1111.2°109.5°
C16C7N2117.5°109.4°
C16C7H10106.8°109.4°
O1C1C7121.8°120.0°
O1C1N1124.0°119.9°
C1C7N2106.4°109.5°
C7C1N1113.6°120.0°
C1C7H10106.6°109.5°
C7N2C8121.0°120.0°
N2C7H10107.8°109.5°
C7N2H20106.5°120.0°
C1N1C2128.3°120.0°
C1N1H1115.9°120.0°
C5C6C2110.4°109.2°
C6C5O2111.6°109.4°
C6C5H6108.9°109.5°
C6C5H7108.9°109.5°
C5C6H8109.3°109.5°
C5C6H9109.2°109.5°
C6C2N1115.0°109.6°
C6C2C3113.6°109.0°
C2C6H8109.2°109.5°
C2C6H9109.2°109.6°
C6C2H17104.7°109.6°
N2C8C13120.0°120.1°
N2C8C9119.7°120.1°
C8N2H20106.5°120.0°
C5O2C4112.6°114.1°
O2C5H6108.9°109.5°
O2C5H7108.9°109.5°
N1C2C3112.1°109.6°
C2N1H1115.8°120.0°
N1C2H17105.3°109.5°
C2C3C4110.8°109.2°
C3C2H17104.7°109.6°
C2C3H18109.2°109.6°
C2C3H19109.1°109.5°
C13C8C9120.1°119.8°
C8C13C12118.7°120.0°
C8C13H12120.6°120.0°
C8C9C10120.3°119.9°
C8C9H21119.9°120.0°
O2C4C3112.0°109.4°
O2C4H4108.8°109.5°
O2C4H5108.8°109.5°
C13C12C11120.6°120.0°
C13C12C14129.8°131.7°
C12C13H12120.6°120.0°
C9C10C11119.2°120.2°
C9C10H11120.4°119.9°
C10C9H21119.9°120.1°
C3C4H4108.8°109.5°
C3C4H5108.8°109.5°
C4C3H18109.1°109.5°
C4C3H19109.2°109.5°
C11C12C14109.5°108.2°
C12C11C10120.8°120.1°
C12C11C15109.4°108.2°
C12C14N3102.0°105.7°
C12C14H22111.3°110.2°
C12C14H23111.3°110.2°
C10C11C15129.8°131.7°
C11C10H11120.4°119.9°
C11C15N3102.0°105.7°
C11C15H13111.3°110.2°
C11C15H14111.3°110.3°
C14N3C15108.4°103.9°
C14N3H2109.7°111.0°
N3C14H22111.3°110.2°
N3C14H23111.3°110.2°
C15N3H2109.7°111.0°
N3C15H13111.3°110.2°
N3C15H14111.3°110.2°
H4C4H5109.5°109.5°
H6C5H7109.5°109.5°
H8C6H9109.5°109.6°
H13C15H14109.4°110.2°
H18C3H19109.4°109.6°
H22C14H23109.5°110.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL1C18C19C20178.6°180.0°
CL1C18C19C17177.5°180.0°
CL1C18C17C16179.1°180.0°
CL1C18C17H151.0°0.3°
CL1C18C19H241.4°0.2°
C20C19C18H24180.0°179.8°
C19C20N4C22176.2°179.3°
C19C20N4N5176.4°179.3°
C20C19C18C171.2°0.0°
C19C20C22C21177.4°180.0°
C19C20C22C160.7°0.6°
C19C20N4H253.6°0.8°
C18C19C20N4175.7°179.5°
C18C19C20C220.0°0.3°
C19C18C17C161.7°0.0°
C19C18C17H15178.3°179.7°
C20N4N5H25180.0°179.9°
C20N4N5C210.6°0.6°
N4C20C22C210.9°0.6°
N4C20C22C16175.9°180.0°
N4C20C19H244.4°0.7°
N5N4C20C220.2°0.0°
N4N5C21C221.1°1.0°
N4N5C21H16178.9°179.9°
C20C22C21N51.3°1.0°
C20C22C21C16175.9°179.3°
C20C22C16C170.2°0.5°
C20C22C16C7179.3°179.4°
C20C22C21H16178.8°179.9°
C22C20C19H24180.0°179.9°
C22C20N4H25179.8°180.0°
C18C17C16C220.9°0.2°
C18C17C16H15180.0°179.7°
C18C17C16C7179.5°179.7°
C17C18C19H24178.8°179.8°
N5C21C22H16180.0°178.9°
N5C21C22C16174.7°179.7°
C21N5N4H25179.4°179.3°
C21C22C16C17175.6°179.8°
C21C22C16C73.9°0.2°
C22C16C17C7179.5°180.0°
C22C16C7C167.5°80.0°
C22C16C7N2169.6°160.0°
C22C16C7H1048.4°40.0°
C22C16C17H15179.1°180.0°
C16C22C21H165.3°0.8°
C17C16C7C1112.0°100.0°
C17C16C7N210.9°20.0°
C17C16C7H10132.1°140.0°
C16C7C1O149.9°120.0°
C16C7C1N2129.1°120.0°
C16C7C1H10116.0°120.0°
C16C7N2H10120.6°120.0°
C16C7C1N1138.6°60.0°
C16C7N2C8178.7°85.0°
C7C16C17H150.4°0.0°
C16C7N2H2057.1°95.0°
O1C1C7N1171.6°179.9°
O1C1C7N279.3°0.0°
O1C1N1C240.6°0.1°
O1C1N1H1139.4°179.7°
O1C1C7H10165.9°120.0°
C1C7N2H10114.1°120.0°
C1C7N2C856.0°155.0°
C7C1N1C2148.1°180.0°
C7C1N1H131.9°0.4°
C1C7N2H20177.6°25.0°
N2C7C1N192.3°180.0°
C7N2C8H20121.6°180.0°
C7N2C8C13108.0°180.0°
C7N2C8C967.7°0.1°
C1N1C2C614.3°155.4°
C1N1C2H1180.0°179.6°
C1N1C2C3117.6°85.2°
N1C1C7H1022.6°59.9°
C1N1C2H17129.1°35.1°
C5C6C2H8120.1°119.9°
C5C6C2H9120.1°120.0°
C6C5O2H6120.3°120.0°
C6C5O2H7120.3°120.0°
C5C6C2N1174.4°176.9°
C5C6C2C343.2°57.0°
C6C5O2C464.0°61.2°
C6C5H6H7119.0°120.0°
C5C6H8H9119.6°120.1°
C5C6C2H1770.5°62.9°
C2C6C5O211.7°57.6°
C6C2N1C3131.9°119.5°
C6C2N1H17114.7°120.2°
C6C2C3H17113.7°119.9°
C6C2C3C450.3°57.0°
C6C2N1H1165.7°25.0°
C2C6C5H6108.6°177.6°
C2C6C5H7132.0°62.3°
C2C6H8H9119.6°120.2°
C6C2C3H18170.5°62.9°
C6C2C3H1969.9°176.9°
N2C8C13C9175.6°179.9°
N2C8C13C12178.7°180.0°
N2C8C9C10178.5°180.0°
C8N2C7H1058.1°35.0°
N2C8C13H121.3°0.1°
N2C8C9H211.5°0.1°
C5O2C4C356.3°61.2°
C5O2C4H464.1°58.8°
C5O2C4H5176.7°178.9°
O2C5H6H7119.0°120.1°
O2C5C6H8108.4°177.5°
O2C5C6H9131.8°62.4°
N1C2C3H17113.7°120.2°
N1C2C3C4177.1°176.8°
N1C2C6H865.5°63.3°
N1C2C6H954.3°56.9°
N1C2C3H1856.9°56.9°
N1C2C3H1962.7°63.3°
C2C3C4O21.2°57.7°
C2C3C4H18120.2°119.9°
C2C3C4H19120.2°119.9°
C3C2N1H162.4°94.5°
C2C3C4H4121.6°62.4°
C2C3C4H5119.1°177.6°
C3C2C6H8163.3°176.9°
C3C2C6H976.9°63.0°
C2C3H18H19119.4°120.2°
C8C13C12H12180.0°180.0°
C13C8C9C105.9°0.1°
C8C13C12C110.0°0.0°
C8C13C12C14177.2°180.0°
C13C8N2H20130.4°0.0°
C13C8C9H21174.1°180.0°
C9C8C13C123.1°0.1°
C8C9C10H21180.0°179.8°
C8C9C10C115.4°0.1°
C8C9C10H11174.6°179.9°
C9C8C13H12176.9°180.0°
C9C8N2H2053.9°179.9°
O2C4C3H4120.4°120.0°
O2C4C3H5120.3°120.0°
O2C4H4H5118.8°120.0°
C4O2C5H656.4°178.8°
C4O2C5H7175.7°58.8°
O2C4C3H18121.4°62.3°
O2C4C3H19119.0°177.6°
C13C12C11C14177.8°180.0°
C13C12C11C100.3°0.1°
C13C12C11C15177.5°180.0°
C13C12C14N3165.3°162.4°
C13C12C14H2276.0°78.5°
C13C12C14H2346.5°43.4°
C9C10C11C122.4°0.0°
C9C10C11H11180.0°180.0°
C9C10C11C15179.8°180.0°
C3C4H4H5118.9°120.0°
C4C3C2H1763.4°62.9°
C4C3H18H19119.4°120.1°
C12C11C10C15177.4°180.0°
C11C12C14N317.3°17.5°
C12C11C15N317.6°17.6°
C12C11C10H11177.6°180.0°
C11C12C13H12180.0°179.9°
C12C11C15H13136.4°136.6°
C12C11C15H14101.2°101.6°
C11C12C14H22101.5°101.5°
C11C12C14H23136.0°136.5°
C14C12C11C10178.1°180.0°
C14C12C11C150.2°0.0°
C12C14N3H22118.8°119.1°
C12C14N3H23118.8°119.0°
C12C14N3C1528.8°27.7°
C12C14N3H2148.6°91.7°
C14C12C13H122.8°0.0°
C12C14H22H23123.5°121.9°
C10C11C15N3164.8°162.5°
C10C11C15H1346.0°43.4°
C10C11C15H1476.4°78.4°
C11C10C9H21174.6°180.0°
C11C15N3C1428.9°27.7°
C11C15N3H13118.8°119.0°
C11C15N3H14118.8°119.2°
C11C15N3H2148.8°91.7°
C15C11C10H110.3°0.0°
C11C15H13H14123.5°121.9°
C14N3C15H2119.8°119.4°
C14N3C15H13147.7°146.7°
C14N3C15H1489.9°91.5°
N3C14H22H23123.4°121.9°
N3C15H13H14123.5°121.9°
C15N3C14H2290.0°91.4°
C15N3C14H23147.6°146.7°
H1N1C2H1750.9°145.2°
H2N3C15H1392.4°27.3°
H2N3C15H1430.0°149.1°
H2N3C14H2229.8°149.2°
H2N3C14H2392.6°27.3°
H4C4C3H18118.2°177.7°
H4C4C3H191.4°57.5°
H5C4C3H181.1°57.7°
H5C4C3H19120.7°62.5°
H6C5C6H8131.2°62.5°
H6C5C6H911.5°57.6°
H7C5C6H811.9°57.5°
H7C5C6H9107.8°177.7°
H8C6C2H1749.6°56.9°
H9C6C2H17169.3°177.1°
H10C7N2H2063.5°145.0°
H11C10C9H215.4°0.1°
H17C2C3H1856.8°177.2°
H17C2C3H19176.4°57.0°

250835

PDB entries from 2026-03-18

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