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W89

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19C18doub1.38Å1.38ÅAromatic
C19C20sing1.38Å1.38ÅAromatic
C18C17sing1.38Å1.38ÅAromatic
C20C21doub1.38Å1.39ÅAromatic
C17C16doub1.40Å1.39ÅAromatic
C24C23sing1.53Å1.49Å
C24O2sing1.43Å1.44Å
C23N3sing1.47Å1.47Å
C21C16sing1.40Å1.40ÅAromatic
C21C22sing1.51Å1.51Å
C16Csing1.48Å1.50Å
N3C22sing1.47Å1.47Å
N3C26sing1.47Å1.47Å
O2C25sing1.43Å1.43Å
C25C26sing1.53Å1.50Å
COdoub1.22Å1.22Å
CNsing1.35Å1.33Å
O1C15doub1.21Å1.23Å
NC1sing1.47Å1.45Å
C15C1sing1.50Å1.58Å
C15N2sing1.33Å1.35Å
C1N1sing1.46Å1.51Å
N1C2doub1.29Å1.29Å
N2C14sing1.39Å1.41Å
C2C3sing1.48Å1.49Å
C2C9sing1.47Å1.49Å
C4C5doub1.38Å1.38ÅAromatic
C4C3sing1.39Å1.39ÅAromatic
C14C9doub1.39Å1.41ÅAromatic
C14C13sing1.40Å1.39ÅAromatic
C5C6sing1.38Å1.38ÅAromatic
C3C8doub1.39Å1.39ÅAromatic
C9C10sing1.40Å1.40ÅAromatic
C13C12doub1.38Å1.38ÅAromatic
C6C7doub1.38Å1.38ÅAromatic
C8C7sing1.38Å1.39ÅAromatic
C10C11doub1.38Å1.38ÅAromatic
C12C11sing1.39Å1.38ÅAromatic
C1H1sing1.09Å1.10Å
C7H2sing1.08Å1.08Å
C8H3sing1.08Å1.08Å
C10H4sing1.08Å1.08Å
C11H5sing1.08Å1.08Å
C12H6sing1.08Å1.08Å
C13H7sing1.08Å1.08Å
C19H8sing1.08Å1.08Å
C20H9sing1.08Å1.08Å
C22H10sing1.09Å1.10Å
C22H11sing1.09Å1.10Å
C24H12sing1.09Å1.10Å
C24H13sing1.09Å1.10Å
N2H14sing0.97Å1.00Å
C6H15sing1.08Å1.08Å
C5H16sing1.08Å1.08Å
C4H17sing1.08Å1.08Å
NH18sing0.97Å1.00Å
C18H19sing1.08Å1.08Å
C17H20sing1.08Å1.08Å
C26H22sing1.09Å1.10Å
C26H23sing1.09Å1.10Å
C25H24sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C23H26sing1.09Å1.10Å
C23H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18C19C20120.2°120.3°
C19C18C17120.2°120.1°
C18C19H8119.9°119.8°
C19C18H19119.9°119.9°
C19C20C21120.8°120.2°
C20C19H8119.9°119.9°
C19C20H9119.6°120.0°
C18C17C16120.3°119.9°
C17C18H19119.9°119.9°
C18C17H20119.8°120.0°
C20C21C16118.7°119.8°
C20C21C22119.6°120.1°
C21C20H9119.6°119.9°
C17C16C21119.8°119.7°
C17C16C117.8°120.1°
C16C17H20119.8°120.1°
C23C24O2111.1°109.3°
C24C23N3109.0°109.2°
C23C24H12109.1°109.5°
C23C24H13109.1°109.5°
C24C23H26109.6°109.5°
C24C23H27109.6°109.5°
C24O2C25112.6°113.7°
O2C24H12109.1°109.5°
O2C24H13109.1°109.5°
C23N3C22113.3°111.0°
C23N3C26109.2°110.7°
N3C23H26109.6°109.5°
N3C23H27109.6°109.5°
C16C21C22121.7°120.1°
C21C16C122.4°120.1°
C21C22N3116.7°109.5°
C21C22H10107.6°109.5°
C21C22H11107.6°109.5°
C16CO120.7°120.0°
C16CN117.5°120.0°
C22N3C26111.1°111.0°
N3C22H10107.6°109.5°
N3C22H11107.7°109.5°
N3C26C25109.8°109.2°
N3C26H22109.4°109.5°
N3C26H23109.4°109.5°
O2C25C26111.5°109.3°
O2C25H24108.9°109.4°
O2C25H25109.0°109.6°
C25C26H22109.4°109.6°
C25C26H23109.4°109.5°
C26C25H24108.9°109.5°
C26C25H25108.9°109.5°
OCN121.8°120.0°
CNC1121.5°120.0°
CNH18119.2°120.1°
O1C15C1122.5°119.1°
O1C15N2121.6°119.1°
NC1C15105.4°109.7°
NC1N1107.5°109.6°
NC1H1114.4°109.6°
C1NH18119.3°120.0°
C1C15N2115.9°121.7°
C15C1N1102.8°108.8°
C15C1H1112.3°109.5°
C15N2C14125.9°125.1°
C15N2H14117.1°117.4°
C1N1C2118.8°121.9°
N1C1H1113.4°109.6°
N1C2C3116.9°117.5°
N1C2C9124.3°124.9°
N2C14C9121.9°123.3°
N2C14C13118.1°117.4°
C14N2H14117.1°117.5°
C3C2C9118.8°117.6°
C2C3C4120.7°120.1°
C2C3C8120.5°120.2°
C2C9C14121.3°123.1°
C2C9C10119.7°117.6°
C5C4C3120.3°119.9°
C4C5C6120.4°120.1°
C4C5H16119.8°119.9°
C5C4H17119.8°120.1°
C4C3C8118.8°119.7°
C3C4H17119.8°120.1°
C9C14C13120.0°119.3°
C14C9C10119.0°119.3°
C14C13C12119.7°120.7°
C14C13H7120.2°119.6°
C5C6C7119.9°120.3°
C5C6H15120.0°119.9°
C6C5H16119.8°119.9°
C3C8C7120.3°119.9°
C3C8H3119.9°120.1°
C9C10C11120.2°120.5°
C9C10H4119.9°119.7°
C13C12C11120.6°120.1°
C13C12H6119.7°119.9°
C12C13H7120.2°119.7°
C6C7C8120.3°120.1°
C6C7H2119.8°119.9°
C7C6H15120.1°119.8°
C8C7H2119.9°119.9°
C7C8H3119.8°120.1°
C10C11C12120.5°120.1°
C11C10H4119.9°119.8°
C10C11H5119.8°120.0°
C12C11H5119.8°119.9°
C11C12H6119.7°120.0°
H10C22H11109.5°109.4°
H12C24H13109.5°109.6°
H22C26H23109.5°109.5°
H24C25H25109.5°109.5°
H26C23H27109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18C19C20H8180.0°179.7°
C19C18C17H19180.0°179.7°
C18C19C20C210.4°0.3°
C19C18C17C160.1°0.0°
C18C19C20H9179.6°180.0°
C19C18C17H20179.9°179.9°
C20C19C18C170.2°0.3°
C19C20C21H9180.0°179.7°
C19C20C21C160.4°0.0°
C19C20C21C22179.9°180.0°
C20C19C18H19179.8°180.0°
C18C17C16H20180.0°179.9°
C18C17C16C210.1°0.3°
C18C17C16C180.0°180.0°
C17C18C19H8179.8°180.0°
C20C21C16C170.2°0.2°
C20C21C16C22179.6°180.0°
C20C21C16C179.9°180.0°
C20C21C22N369.3°100.0°
C21C20C19H8179.6°180.0°
C20C21C22H10169.7°20.0°
C20C21C22H1151.8°140.0°
C17C16C21C179.9°179.8°
C17C16C21C22179.8°179.7°
C17C16CO26.7°179.7°
C17C16CN153.1°0.2°
C16C17C18H19179.9°179.7°
C23C24O2H12120.2°119.9°
C23C24O2H13120.2°119.9°
C24C23N3H26119.9°120.0°
C24C23N3H27119.9°119.9°
C24C23N3C22174.8°177.6°
C24C23N3C2660.8°58.7°
C23C24O2C2555.5°58.7°
C23C24H12H13119.3°120.1°
C24C23H26H27120.2°120.1°
O2C24C23N358.7°56.9°
C24O2C25C2653.6°58.7°
O2C24H12H13119.3°120.1°
C24O2C25H2466.7°178.6°
C24O2C25H25173.9°61.3°
O2C24C23H2661.2°63.1°
O2C24C23H27178.7°176.8°
C23N3C22C2118.8°66.4°
C23N3C22C26123.3°123.6°
C23N3C26C2559.2°58.7°
C23N3C22H10102.2°53.6°
C23N3C22H11139.9°173.6°
N3C23C24H1261.5°176.8°
N3C23C24H13179.0°63.0°
C23N3C26H2260.9°61.3°
C23N3C26H23179.2°178.6°
N3C23H26H27120.3°120.1°
C16C21C22N3111.2°80.0°
C21C16CO153.4°0.1°
C21C16CN26.8°180.0°
C16C21C20H9179.6°179.7°
C16C21C22H109.9°159.9°
C16C21C22H11127.8°40.0°
C21C16C17H20179.9°179.8°
C22C21C16C0.4°0.1°
C21C22N3H10121.0°120.0°
C21C22N3H11121.0°120.0°
C21C22N3C26142.2°170.0°
C22C21C20H90.1°0.3°
C21C22H10H11116.7°120.0°
C16CON179.8°179.9°
C16CNC1165.3°180.0°
C16CNH1814.7°0.0°
CC16C17H200.0°0.0°
C22N3C26C25175.1°177.6°
N3C22H10H11116.7°120.0°
C22N3C26H2264.8°62.4°
C22N3C26H2355.1°57.7°
C22N3C23H2665.3°62.4°
C22N3C23H2754.9°57.7°
N3C26C25O255.3°56.9°
N3C26C25H22120.1°119.9°
N3C26C25H23120.1°119.9°
C26N3C22H1021.1°70.0°
C26N3C22H1196.8°50.0°
N3C26H22H23119.9°120.1°
N3C26C25H2465.0°176.8°
N3C26C25H25175.6°63.1°
C26N3C23H2659.1°61.3°
C26N3C23H27179.3°178.5°
O2C25C26H24120.3°119.9°
O2C25C26H25120.3°120.0°
C25O2C24H1264.8°178.6°
C25O2C24H13175.7°61.2°
O2C25C26H2264.8°63.0°
O2C25C26H23175.3°176.8°
O2C25H24H25119.1°120.1°
C25C26H22H23119.8°120.2°
C26C25H24H25119.0°120.1°
OCNC114.5°0.1°
OCNH18165.5°180.0°
CNC1H18180.0°180.0°
CNC1C1573.2°135.5°
CNC1N1177.7°105.0°
CNC1H150.7°15.3°
O1C15C1N6.0°3.1°
O1C15C1N2179.5°179.9°
O1C15C1N1106.5°116.7°
O1C15N2C14179.7°177.2°
O1C15C1H1131.2°123.4°
O1C15N2H140.3°2.8°
NC1C15N1112.5°119.9°
NC1C15H1125.2°120.3°
NC1C15N2174.5°176.8°
NC1N1H1127.6°120.3°
NC1N1C2175.8°176.4°
C15C1N1H1121.4°119.8°
C15C1N1C273.2°63.7°
C1C15N2C140.1°2.7°
C1C15N2H14179.9°177.3°
C15C1NH18106.9°44.5°
N2C15C1N173.0°63.4°
C15N2C14H14180.0°179.9°
C15N2C14C943.5°40.6°
C15N2C14C13136.6°139.7°
N2C15C1H149.2°56.5°
C1N1C2C3179.1°179.6°
C1N1C2C90.4°0.3°
N1C1NH182.3°75.0°
N1C2C3C9178.8°180.0°
N1C2C3C429.1°156.2°
N1C2C9C1445.1°40.2°
N1C2C3C8149.2°23.5°
N1C2C9C10135.0°139.7°
C2N1C1H148.3°56.1°
N2C14C9C20.0°0.4°
N2C14C9C13179.9°179.7°
N2C14C9C10179.9°179.6°
N2C14C13C12179.8°179.6°
N2C14C13H70.1°0.4°
C2C3C4C5179.4°180.0°
C2C3C4C8178.3°179.8°
C3C2C9C14133.6°139.7°
C3C2C9C1046.4°40.3°
C2C3C8C7179.4°180.0°
C2C3C8H30.7°0.1°
C2C3C4H170.6°0.1°
C9C2C3C4152.1°23.8°
C2C9C14C10179.9°179.9°
C2C9C14C13179.9°179.9°
C9C2C3C829.6°156.5°
C2C9C10C11179.9°179.9°
C2C9C10H40.1°0.1°
C5C4C3H17180.0°179.9°
C4C5C6H16180.0°179.7°
C5C4C3C81.1°0.2°
C4C5C6C70.1°0.2°
C4C5C6H15179.9°179.9°
C3C4C5C60.7°0.0°
C4C3C8C71.1°0.2°
C4C3C8H3179.0°179.8°
C3C4C5H16179.3°179.8°
C9C14C13C120.1°0.1°
C14C9C10C110.0°0.0°
C14C9C10H4180.0°179.9°
C9C14C13H7180.0°179.9°
C9C14N2H14136.5°139.5°
C13C14C9C100.0°0.1°
C14C13C12H7180.0°180.0°
C14C13C12C110.2°0.0°
C14C13C12H6179.9°179.9°
C13C14N2H1443.4°40.2°
C5C6C7H15180.0°179.9°
C5C6C7C80.1°0.2°
C5C6C7H2179.9°179.8°
C6C5C4H17179.4°179.9°
C3C8C7C60.6°0.1°
C3C8C7H3180.0°179.9°
C3C8C7H2179.4°180.0°
C8C3C4H17178.9°179.7°
C9C10C11H4180.0°180.0°
C9C10C11C120.0°0.0°
C9C10C11H5180.0°180.0°
C13C12C11C100.2°0.0°
C13C12C11H6180.0°179.9°
C13C12C11H5179.9°180.0°
C6C7C8H2180.0°180.0°
C6C7C8H3179.5°180.0°
C7C6C5H16179.9°179.9°
C8C7C6H15179.9°180.0°
C10C11C12H5180.0°180.0°
C10C11C12H6179.9°179.9°
C12C11C10H4179.9°180.0°
C11C12C13H7179.9°180.0°
H1C1NH18129.3°164.7°
H2C7C8H30.5°0.1°
H2C7C6H150.1°0.1°
H4C10C11H50.0°0.0°
H5C11C12H60.1°0.1°
H6C12C13H70.1°0.0°
H8C19C20H90.4°0.3°
H8C19C18H190.2°0.3°
H12C24C23H26178.6°56.8°
H12C24C23H2758.4°63.4°
H13C24C23H2659.0°177.0°
H13C24C23H2761.1°56.8°
H15C6C5H160.1°0.2°
H16C5C4H170.6°0.4°
H19C18C17H200.1°0.3°
H22C26C25H24174.9°56.8°
H22C26C25H2555.5°177.0°
H23C26C25H2455.0°63.3°
H23C26C25H2564.3°56.8°

222415

PDB entries from 2024-07-10

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