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BD0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O11C10doub1.22Å1.23Å
O5C4sing1.36Å1.38Å
C3C4doub1.38Å1.42ÅAromatic
C3C2sing1.39Å1.43ÅAromatic
C4C6sing1.40Å1.43ÅAromatic
O1C2sing1.36Å1.36Å
C2C8doub1.39Å1.42ÅAromatic
C6C10sing1.47Å1.48Å
C6C7doub1.40Å1.43ÅAromatic
C10N12sing1.35Å1.42Å
C8C7sing1.38Å1.41ÅAromatic
C8CL9sing1.74Å1.72Å
N12C13sing1.47Å1.46Å
N12C16sing1.47Å1.49Å
C13C14sing1.55Å1.51Å
C16C17sing1.51Å1.54Å
C16C15sing1.54Å1.55Å
C14C15sing1.55Å1.52Å
C18C17doub1.38Å1.44ÅAromatic
C18C19sing1.38Å1.41ÅAromatic
C17C30sing1.38Å1.44ÅAromatic
C24C23sing1.54Å1.52Å
C24C25sing1.55Å1.52Å
C23N22sing1.48Å1.47Å
C19C20doub1.38Å1.43ÅAromatic
C30C29doub1.38Å1.42ÅAromatic
C20C29sing1.38Å1.42ÅAromatic
C20C21sing1.51Å1.51Å
N22C21sing1.47Å1.46Å
N22C28sing1.49Å1.45Å
C25F27sing1.40Å1.35Å
C25F26sing1.40Å1.35Å
C25C28sing1.55Å1.49Å
C7H1sing1.08Å1.08Å
C13H2sing1.09Å1.10Å
C13H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C21H6sing1.09Å1.10Å
C21H7sing1.09Å1.10Å
C24H8sing1.09Å1.10Å
C24H9sing1.09Å1.10Å
C28H10sing1.09Å1.10Å
C28H11sing1.09Å1.10Å
O1H12sing0.97Å0.95Å
C3H13sing1.08Å1.08Å
O5H14sing0.97Å0.95Å
C14H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C23H21sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C29H23sing1.08Å1.08Å
C30H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O11C10C6116.6°120.0°
O11C10N12124.1°120.0°
O5C4C3120.2°120.1°
O5C4C6120.3°120.1°
C4O5H14109.5°113.9°
C4C3C2119.4°120.0°
C3C4C6119.5°119.8°
C4C3H13120.3°120.0°
C3C2O1117.3°119.9°
C3C2C8120.9°120.3°
C2C3H13120.3°120.0°
C4C6C10119.5°120.1°
C4C6C7120.8°119.7°
O1C2C8121.8°119.9°
C2O1H12109.5°114.0°
C2C8C7119.9°120.2°
C2C8CL9121.6°119.9°
C10C6C7119.8°120.2°
C6C10N12119.3°120.0°
C6C7C8119.6°120.0°
C6C7H1120.2°120.0°
C10N12C13117.3°125.7°
C10N12C16130.0°125.6°
C7C8CL9118.5°119.9°
C8C7H1120.2°120.0°
C13N12C16111.9°108.7°
N12C13C14107.0°104.8°
N12C13H2110.1°110.4°
N12C13H3110.1°110.4°
N12C16C17117.2°109.9°
N12C16C15103.3°107.2°
N12C16H17111.2°109.9°
C13C14C15104.5°101.6°
C14C13H2110.1°110.4°
C14C13H3110.1°110.3°
C13C14H15110.7°111.0°
C13C14H16110.7°111.0°
C17C16C15103.6°109.8°
C16C17C18123.1°120.1°
C16C17C30118.5°120.0°
C17C16H17110.5°109.9°
C16C15C14107.2°102.9°
C16C15H4110.0°110.9°
C16C15H5110.0°110.7°
C15C16H17110.3°110.1°
C14C15H4110.1°110.7°
C14C15H5110.0°110.8°
C15C14H15110.7°111.0°
C15C14H16110.7°111.0°
C17C18C19120.9°120.0°
C18C17C30118.4°120.0°
C17C18H18119.6°120.0°
C18C19C20120.4°120.0°
C19C18H18119.6°120.0°
C18C19H19119.8°120.0°
C17C30C29120.6°120.0°
C17C30H24119.7°120.1°
C23C24C25104.3°105.2°
C24C23N22103.5°107.1°
C23C24H8110.7°110.3°
C23C24H9110.8°110.3°
C24C23H21110.9°109.9°
C24C23H22110.9°109.9°
C24C25F27110.0°110.7°
C24C25F26111.8°110.8°
C24C25C28107.4°102.9°
C25C24H8110.7°110.3°
C25C24H9110.7°110.2°
C23N22C21115.7°111.0°
C23N22C28105.8°105.8°
N22C23H21111.0°109.9°
N22C23H22110.9°109.9°
C19C20C29119.4°120.0°
C19C20C21120.1°120.0°
C20C19H19119.8°120.0°
C30C29C20120.4°120.0°
C30C29H23119.8°120.0°
C29C30H24119.7°120.0°
C29C20C21120.6°120.0°
C20C29H23119.8°120.0°
C20C21N22118.1°109.5°
C20C21H6107.3°109.4°
C20C21H7107.3°109.4°
C21N22C28109.4°111.0°
N22C21H6107.3°109.5°
N22C21H7107.3°109.5°
N22C28C25103.2°103.2°
N22C28H10111.0°110.7°
N22C28H11111.0°110.7°
F27C25F26107.5°110.7°
F27C25C28109.4°110.7°
F26C25C28110.8°110.9°
C25C28H10111.0°110.6°
C25C28H11111.0°110.8°
H2C13H3109.5°110.4°
H4C15H5109.5°110.6°
H6C21H7109.5°109.5°
H8C24H9109.5°110.4°
H10C28H11109.5°110.6°
H15C14H16109.5°111.0°
H21C23H22109.5°110.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O11C10C6C474.0°36.8°
O11C10C6N12178.3°180.0°
O11C10C6C7106.2°143.3°
O11C10N12C130.3°174.7°
O11C10N12C16168.2°5.0°
O5C4C3C6179.8°179.7°
O5C4C3C2179.8°179.7°
O5C4C6C100.4°0.4°
O5C4C6C7179.8°179.7°
O5C4C3H130.1°0.3°
C4C3C2H13180.0°180.0°
C4C3C2O1179.7°180.0°
C4C3C2C80.3°0.0°
C3C4C6C10179.4°180.0°
C3C4C6C70.4°0.1°
C3C4O5H14180.0°90.3°
C2C3C4C60.0°0.0°
C3C2O1C8180.0°179.9°
C3C2C8C70.2°0.1°
C3C2C8CL9180.0°180.0°
C3C2O1H12180.0°90.0°
C4C6C10C7179.8°179.9°
C4C6C10N12104.3°143.2°
C4C6C7C80.4°0.0°
C4C6C7H1179.6°179.9°
C6C4C3H13180.0°179.9°
C6C4O5H140.2°90.1°
O1C2C8C7179.7°180.0°
O1C2C8CL90.1°0.1°
O1C2C3H130.3°0.1°
C2C8C7C60.1°0.0°
C2C8C7CL9179.8°180.0°
C2C8C7H1179.9°180.0°
C8C2O1H120.1°90.1°
C8C2C3H13179.7°180.0°
C10C6C7C8179.4°180.0°
C6C10N12C13178.4°5.3°
C6C10N12C1610.0°175.0°
C10C6C7H10.6°0.0°
C7C6C10N1275.5°36.7°
C6C7C8H1180.0°179.9°
C6C7C8CL9179.7°180.0°
C10N12C13C16170.5°179.8°
C10N12C13C14179.1°155.8°
C10N12C16C1783.1°61.7°
C10N12C16C15163.7°179.1°
C10N12C13H259.5°85.3°
C10N12C13H361.3°37.1°
C10N12C16H1745.4°59.3°
CL9C8C7H10.3°0.1°
N12C13C14H2119.6°118.9°
N12C13C14H3119.6°118.8°
C13N12C16C17108.0°118.5°
C13N12C16C155.2°0.7°
N12C13C14C1521.8°37.0°
N12C13H2H3121.1°122.4°
N12C13C14H1597.4°155.1°
N12C13C14H16141.0°81.0°
C13N12C16H17123.5°120.4°
C16N12C13C1410.4°23.9°
N12C16C17C15113.0°117.7°
N12C16C17H17128.8°121.0°
N12C16C15H17118.9°119.6°
N12C16C15C1418.8°22.5°
N12C16C17C1833.8°40.3°
N12C16C17C30147.4°140.0°
C16N12C13H2130.0°94.9°
C16N12C13H3109.2°142.7°
N12C16C15H4100.9°95.9°
N12C16C15H5138.4°140.9°
C13C14C15C1625.1°35.7°
C13C14C15H15119.2°118.1°
C13C14C15H16119.2°118.0°
C14C13H2H3121.1°122.2°
C13C14C15H494.5°82.9°
C13C14C15H5144.8°154.0°
C13C14H15H16122.3°123.9°
C17C16C15H17118.3°121.1°
C17C16C15C14104.0°141.8°
C16C17C18C30178.7°179.7°
C16C17C18C19178.2°179.8°
C16C17C30C29178.3°180.0°
C17C16C15H4136.3°23.4°
C17C16C15H515.6°99.8°
C16C17C18H181.8°0.3°
C16C17C30H241.7°0.0°
C16C15C14H4119.7°118.6°
C16C15C14H5119.6°118.3°
C15C16C17C1879.2°77.4°
C15C16C17C3099.6°102.3°
C16C15H4H5121.0°123.2°
C16C15C14H1594.1°153.8°
C16C15C14H16144.3°82.3°
C15C14C13H2141.4°81.9°
C15C14C13H397.9°155.8°
C14C15H4H5121.1°123.2°
C15C14H15H16122.3°123.9°
C14C15C16H17137.7°97.0°
C17C18C19H18180.0°179.9°
C17C18C19C200.1°0.1°
C18C17C30C290.5°0.3°
C18C17C16H17162.6°161.3°
C17C18C19H19179.9°180.0°
C18C17C30H24179.5°179.7°
C19C18C17C300.6°0.0°
C18C19C20H19180.0°179.9°
C18C19C20C290.4°0.3°
C18C19C20C21178.5°179.7°
C17C30C29H24180.0°180.0°
C17C30C29C200.0°0.5°
C30C17C16H1718.6°19.0°
C30C17C18H18179.4°179.9°
C17C30C29H23180.0°179.4°
C23C24C25H8119.2°119.0°
C23C24C25H9119.2°118.9°
C24C23N22H21119.0°119.4°
C24C23N22H22119.0°119.3°
C24C23N22C21160.0°145.9°
C24C23N22C2838.8°25.4°
C23C24C25F27118.3°96.4°
C23C24C25F26122.3°140.4°
C23C24C25C280.6°21.9°
C23C24H8H9122.4°122.2°
C24C23H21H22122.7°121.2°
C25C24C23N2222.6°1.3°
C24C25C28N2223.8°37.4°
C24C25F27F26122.0°123.2°
C24C25F27C28117.7°113.5°
C24C25F26C28119.7°113.6°
C25C24H8H9122.4°122.1°
C24C25C28H1095.2°81.1°
C24C25C28H11142.8°155.9°
C25C24C23H2196.5°118.1°
C25C24C23H22141.6°120.6°
C23N22C21C2061.6°72.6°
C23N22C21C28119.3°117.4°
C23N22C28C2538.9°39.2°
C23N22C21H659.6°47.3°
C23N22C21H7177.2°167.4°
N22C23C24H896.6°117.7°
N22C23C24H9141.7°120.1°
C23N22C28H1080.1°79.2°
C23N22C28H11157.9°157.8°
N22C23H21H22122.8°121.2°
C19C20C29C300.5°0.6°
C19C20C29C21178.9°179.4°
C19C20C21N2296.0°89.4°
C19C20C21H625.2°30.6°
C19C20C21H7142.7°150.6°
C20C19C18H18179.9°180.0°
C19C20C29H23179.5°179.4°
C30C29C20H23180.0°180.0°
C30C29C20C21178.4°180.0°
C29C20C21N2285.1°90.0°
C29C20C21H6153.7°150.0°
C29C20C21H736.1°30.0°
C29C20C19H19179.6°179.7°
C20C29C30H24180.0°179.4°
C20C21N22H6121.2°119.9°
C20C21N22H7121.2°120.0°
C20C21N22C28179.1°170.0°
C20C21H6H7116.1°119.9°
C21C20C19H191.5°0.3°
C21C20C29H231.6°0.0°
C21N22C28C25164.2°159.7°
N22C21H6H7116.1°120.1°
C21N22C28H1045.1°41.4°
C21N22C28H1176.9°81.7°
C21N22C23H2141.0°26.5°
C21N22C23H2280.9°94.8°
N22C28C25F2795.5°81.0°
N22C28C25F26146.1°155.8°
N22C28C25H10119.0°118.4°
N22C28C25H11119.0°118.5°
C28N22C21H659.7°70.1°
C28N22C21H757.9°50.0°
N22C28H10H11122.9°123.1°
C28N22C23H2180.2°94.0°
C28N22C23H22157.8°144.7°
F27C25F26C28119.5°123.2°
F27C25C24H80.8°22.6°
F27C25C24H9122.5°144.7°
F27C25C28H10145.5°160.6°
F27C25C28H1123.5°37.6°
F26C25C24H8118.6°100.6°
F26C25C24H93.1°21.6°
F26C25C28H1027.1°37.4°
F26C25C28H1194.9°85.6°
C28C25C24H8119.7°140.9°
C28C25C24H9118.6°97.0°
C25C28H10H11122.9°123.2°
H2C13C14H1522.1°36.2°
H2C13C14H1699.4°160.1°
H3C13C14H15142.9°86.1°
H3C13C14H1621.4°37.8°
H4C15C14H15146.3°35.2°
H4C15C14H1624.7°159.1°
H4C15C16H1718.0°144.5°
H5C15C14H1525.5°87.9°
H5C15C14H1696.0°36.0°
H5C15C16H17102.7°21.3°
H8C24C23H21144.3°122.9°
H8C24C23H2222.4°1.6°
H9C24C23H2122.7°0.7°
H9C24C23H2299.2°120.6°
H18C18C19H190.1°0.1°
H23C29C30H240.0°0.6°

222415

PDB entries from 2024-07-10

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