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98T

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
I11C10sing2.09Å2.13Å
O09C08sing1.36Å1.40Å
C10C08doub1.39Å1.39ÅAromatic
C10C12sing1.38Å1.39ÅAromatic
C08C07sing1.39Å1.39ÅAromatic
C12C05doub1.40Å1.39ÅAromatic
C07C06doub1.38Å1.39ÅAromatic
C05C06sing1.40Å1.39ÅAromatic
C05C02sing1.48Å1.54Å
O01C02doub1.22Å1.19Å
C02O03sing1.35Å1.40Å
O03C04sing1.45Å1.40Å
C04H1sing1.09Å1.10Å
C04H2sing1.09Å1.10Å
C04H3sing1.09Å1.10Å
C06H4sing1.08Å1.08Å
C07H5sing1.08Å1.08Å
O09H6sing0.97Å0.95Å
C12H7sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
I11C10C08121.9°120.0°
I11C10C12119.3°120.0°
O09C08C10121.2°119.9°
O09C08C07118.9°119.9°
C08O09H6109.5°114.0°
C08C10C12118.7°120.1°
C10C08C07119.9°120.2°
C10C12C05121.7°119.9°
C10C12H7119.1°120.1°
C08C07C06120.9°120.1°
C08C07H5119.5°120.0°
C12C05C06118.7°119.8°
C12C05C02120.1°120.0°
C05C12H7119.1°120.1°
C07C06C05120.0°119.9°
C07C06H4120.0°120.1°
C06C07H5119.6°119.9°
C06C05C02121.2°120.1°
C05C06H4120.0°120.0°
C05C02O01120.2°120.0°
C05C02O03121.8°120.0°
O01C02O03118.1°120.0°
C02O03C04114.1°117.0°
O03C04H1109.5°109.5°
O03C04H2109.5°109.4°
O03C04H3109.5°109.5°
H1C04H2109.5°109.4°
H1C04H3109.4°109.5°
H2C04H3109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
I11C10C08O090.1°0.2°
I11C10C08C12180.0°179.7°
I11C10C08C07179.9°179.7°
I11C10C12C05180.0°179.7°
I11C10C12H70.1°0.3°
O09C08C10C07180.0°179.9°
O09C08C10C12179.9°179.9°
O09C08C07C06179.9°179.9°
O09C08C07H50.1°0.1°
C08C10C12C050.0°0.0°
C10C08C07C060.1°0.1°
C10C08C07H5179.9°180.0°
C10C08O09H6180.0°90.1°
C08C10C12H7180.0°179.9°
C12C10C08C070.1°0.0°
C10C12C05H7180.0°179.9°
C10C12C05C060.1°0.0°
C10C12C05C02179.9°179.9°
C08C07C06H5180.0°180.0°
C08C07C06C050.0°0.0°
C08C07C06H4180.0°180.0°
C07C08O09H60.0°90.0°
C12C05C06C070.1°0.0°
C12C05C06C02179.8°179.9°
C12C05C02O015.1°180.0°
C12C05C02O03174.9°0.1°
C12C05C06H4179.9°180.0°
C07C06C05H4180.0°180.0°
C07C06C05C02179.8°179.9°
C06C05C02O01174.6°0.1°
C06C05C02O035.3°180.0°
C05C06C07H5180.0°180.0°
C06C05C12H7179.9°180.0°
C05C02O01O03179.9°180.0°
C05C02O03C04179.8°179.9°
C02C05C06H40.1°0.1°
C02C05C12H70.1°0.1°
O01C02O03C040.2°0.0°
C02O03C04H1180.0°180.0°
C02O03C04H260.0°60.0°
C02O03C04H360.0°59.9°
O03C04H1H2120.0°119.9°
O03C04H1H3120.0°120.1°
O03C04H2H3120.0°120.0°
H1C04H2H3120.0°120.0°
H4C06C07H50.0°0.0°

224572

PDB entries from 2024-09-04

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