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DY7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
BR2C11sing1.89Å1.97Å
BR9C08sing1.89Å1.97Å
C10C11doub1.38Å1.39ÅAromatic
C10C08sing1.38Å1.39ÅAromatic
C11C13sing1.38Å1.41ÅAromatic
C08C07doub1.38Å1.40ÅAromatic
C13C06doub1.39Å1.41ÅAromatic
C07C06sing1.39Å1.43ÅAromatic
C06N05sing1.40Å1.47Å
N05C04sing1.39Å1.43Å
N03C04doub1.33Å1.38ÅAromatic
N03C02sing1.32Å1.38ÅAromatic
C04C14sing1.40Å1.42ÅAromatic
N01C02sing1.38Å1.32Å
C02N17doub1.33Å1.44ÅAromatic
C14C15doub1.38Å1.34ÅAromatic
N17C15sing1.33Å1.41ÅAromatic
C15C16sing1.51Å1.51Å
C10H101sing1.08Å1.08Å
C14H141sing1.08Å1.08Å
N01H011sing0.97Å1.00Å
N01H012sing0.97Å1.00Å
N05H051sing0.97Å1.00Å
C07H071sing1.08Å1.08Å
C13H131sing1.08Å1.08Å
C16H162sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H163sing1.09Å1.10Å
N17H171sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
BR2C11C10119.9°119.9°
BR2C11C13117.9°120.0°
BR9C08C10119.7°120.0°
BR9C08C07118.1°120.0°
C11C10C08117.6°120.1°
C10C11C13122.2°120.1°
C11C10H101121.2°120.0°
C10C08C07122.2°120.1°
C08C10H101121.2°119.9°
C11C13C06120.4°119.9°
C11C13H131119.8°120.0°
C08C07C06120.5°119.9°
C08C07H071119.8°120.0°
C13C06C07117.1°119.9°
C13C06N05122.1°120.1°
C06C13H131119.8°120.0°
C07C06N05120.9°120.0°
C06C07H071119.7°120.1°
C06N05C04125.3°119.9°
C06N05H051117.4°120.1°
N05C04N03121.5°120.5°
N05C04C14125.2°120.5°
C04N05H051117.3°120.0°
C04N03C02123.7°120.6°
N03C04C14113.3°119.0°
N03C02N01124.2°119.2°
N03C02N17121.0°121.6°
C04C14C15126.7°118.5°
C04C14H141116.6°120.8°
N01C02N17114.9°119.1°
C02N01H011120.0°120.0°
C02N01H012120.0°120.0°
C02N17C15115.9°120.9°
C02N17H171122.0°119.6°
C14C15N17119.4°119.3°
C14C15C16130.2°120.4°
C15C14H141116.7°120.8°
N17C15C16110.4°120.3°
C15N17H171122.1°119.5°
C15C16H162109.5°109.4°
C15C16H161109.5°109.5°
C15C16H163109.5°109.5°
H011N01H012120.0°119.9°
H162C16H161109.5°109.4°
H162C16H163109.4°109.5°
H161C16H163109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
BR2C11C10C13180.0°179.7°
BR2C11C10C08179.9°179.7°
BR2C11C13C06179.9°179.7°
BR2C11C10H1010.1°0.3°
BR2C11C13H1310.1°0.3°
BR9C08C10C11179.9°180.0°
BR9C08C10C07180.0°180.0°
BR9C08C07C06179.9°179.9°
BR9C08C10H1010.1°0.1°
BR9C08C07H0710.1°0.0°
C11C10C08H101180.0°180.0°
C11C10C08C070.1°0.0°
C10C11C13C060.1°0.0°
C10C11C13H131179.8°180.0°
C08C10C11C130.1°0.0°
C10C08C07C060.1°0.0°
C10C08C07H071179.9°179.9°
C11C13C06H131180.0°179.9°
C11C13C06C070.3°0.0°
C11C13C06N05179.1°180.0°
C13C11C10H101179.9°180.0°
C08C07C06C130.3°0.0°
C08C07C06H071180.0°179.9°
C08C07C06N05179.1°179.9°
C07C08C10H101179.9°180.0°
C13C06C07N05178.8°180.0°
C13C06N05C04131.2°32.8°
C13C06N05H05148.8°147.2°
C13C06C07H071179.7°179.9°
C07C06N05C0447.5°147.2°
C07C06N05H051132.5°32.8°
C07C06C13H131179.7°179.9°
C06N05C04H051180.0°179.9°
C06N05C04N0329.1°5.9°
C06N05C04C14151.6°174.3°
N05C06C07H0710.9°0.0°
N05C06C13H1310.9°0.1°
N05C04N03C14179.3°179.8°
N05C04N03C02179.4°180.0°
N05C04C14C15179.4°179.8°
N05C04C14H1410.6°0.3°
C04N03C02N01179.9°179.8°
C04N03C02N170.2°0.3°
N03C04C14C150.1°0.0°
N03C04C14H141179.9°179.9°
N03C04N05H051150.9°174.0°
C02N03C04C140.1°0.2°
N03C02N01N17179.9°179.9°
N03C02N17C150.2°0.0°
N03C02N01H0110.0°179.9°
N03C02N01H012180.0°0.0°
N03C02N17H171179.8°180.0°
C04C14C15H141180.0°180.0°
C04C14C15N170.1°0.3°
C04C14C15C16179.7°179.9°
C14C04N05H05128.4°5.8°
N01C02N17C15179.9°180.0°
C02N01H011H012180.0°180.0°
N01C02N17H1710.1°0.1°
C02N17C15C140.1°0.2°
C02N17C15H171180.0°179.9°
C02N17C15C16179.7°179.9°
N17C02N01H011179.9°0.0°
N17C02N01H0120.1°180.0°
C14C15N17C16179.8°179.7°
C14C15C16H16289.8°90.1°
C14C15C16H161150.2°150.0°
C14C15C16H16330.1°30.0°
C14C15N17H171179.8°179.7°
N17C15C14H141179.9°179.7°
N17C15C16H16290.0°90.3°
N17C15C16H16130.1°29.7°
N17C15C16H163150.1°149.7°
C16C15C14H1410.3°0.1°
C15C16H162H161120.0°120.0°
C15C16H162H163120.0°120.0°
C15C16H161H163120.0°120.0°
C16C15N17H1710.4°0.0°
H162C16H161H163120.0°120.0°

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PDB entries from 2024-06-12

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