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SummaryGeometryRelated PDB entries

5TQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O21C18doub1.21Å1.26Å
C18O22sing1.34Å1.24Å
C18C17sing1.51Å1.51Å
F20C02sing1.35Å1.33Å
C01C02doub1.38Å1.39ÅAromatic
C01C06sing1.39Å1.40ÅAromatic
C02C03sing1.39Å1.39ÅAromatic
O19C07doub1.22Å1.26Å
C06C07sing1.47Å1.46Å
C06C05doub1.41Å1.41ÅAromatic
C03C04doub1.37Å1.39ÅAromatic
C07N10sing1.34Å1.35Å
C17C16sing1.53Å1.52Å
C04C05sing1.40Å1.41ÅAromatic
N10C09sing1.37Å1.35Å
C05C08sing1.47Å1.44Å
C09C08doub1.34Å1.42Å
C09C14sing1.51Å1.46Å
C08C11sing1.51Å1.40Å
C14C13sing1.53Å1.36Å
C11N12sing1.47Å1.35Å
N12C13sing1.47Å1.33Å
N12C15sing1.47Å1.50Å
C16C15sing1.53Å1.52Å
C13H131sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C01H011sing1.08Å1.08Å
C03H031sing1.08Å1.08Å
C04H041sing1.08Å1.08Å
N10H1sing0.97Å1.00Å
C11H111sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
O22H2sing0.97Å0.95Å
C13H3sing1.09Å1.10Å
C11H4sing1.09Å1.10Å
C14H5sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O21C18O22121.5°120.0°
O21C18C17119.1°120.0°
O22C18C17119.4°120.0°
C18O22H2109.5°117.0°
C18C17C16111.3°109.5°
C18C17H172109.0°109.5°
C18C17H171109.0°109.4°
F20C02C01118.6°119.7°
F20C02C03119.8°119.7°
C02C01C06119.1°119.3°
C01C02C03121.6°120.6°
C02C01H011120.4°120.3°
C01C06C07120.2°122.2°
C01C06C05120.3°119.8°
C06C01H011120.4°120.4°
C02C03C04119.3°120.9°
C02C03H031120.4°119.5°
O19C07C06120.6°120.5°
O19C07N10119.6°120.4°
C07C06C05119.4°118.0°
C06C07N10119.7°119.1°
C06C05C04119.1°119.7°
C06C05C08119.1°118.9°
C03C04C05120.5°119.6°
C04C03H031120.4°119.6°
C03C04H041119.7°120.2°
C07N10C09121.7°123.1°
C07N10H1119.1°118.5°
C17C16C15114.2°109.5°
C16C17H172109.0°109.4°
C16C17H171109.0°109.5°
C17C16H161108.3°109.4°
C17C16H162108.3°109.5°
C04C05C08121.7°121.5°
C05C04H041119.7°120.2°
N10C09C08122.4°121.5°
N10C09C14120.1°117.0°
C09N10H1119.2°118.4°
C05C08C09117.5°119.5°
C05C08C11125.1°118.0°
C08C09C14117.5°121.5°
C09C08C11117.3°122.5°
C09C14C13120.0°110.3°
C09C14H141106.8°109.3°
C09C14H5106.8°109.3°
C08C11N12122.5°110.9°
C08C11H111106.1°109.2°
C08C11H4106.1°109.2°
C14C13N12121.1°108.3°
C14C13H131106.5°109.7°
C13C14H141106.8°109.4°
C14C13H3106.5°109.7°
C13C14H5106.8°109.4°
C11N12C13121.2°109.9°
C11N12C15118.6°111.0°
N12C11H111106.1°109.2°
N12C11H4106.1°109.2°
C13N12C15119.9°111.0°
N12C13H131106.5°109.7°
N12C13H3106.5°109.7°
N12C15C16116.0°109.5°
N12C15H151107.8°109.5°
N12C15H152107.8°109.4°
C16C15H151107.8°109.5°
C16C15H152107.8°109.5°
C15C16H161108.3°109.5°
C15C16H162108.3°109.5°
H131C13H3109.4°109.7°
H151C15H152109.5°109.5°
H172C17H171109.5°109.5°
H111C11H4109.5°109.1°
H141C14H5109.5°109.2°
H161C16H162109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O21C18O22C17179.6°180.0°
O21C18C17C16132.5°0.0°
O21C18C17H172107.2°119.9°
O21C18C17H17112.3°120.0°
O21C18O22H20.0°0.0°
O22C18C17C1647.1°180.0°
O22C18C17H17273.2°60.1°
O22C18C17H171167.3°60.0°
C18C17C16H172120.3°120.0°
C18C17C16H171120.3°120.0°
C18C17C16C1588.8°180.0°
C18C17H172H171119.2°120.0°
C18C17C16H161150.5°60.0°
C18C17C16H16231.9°60.0°
C17C18O22H2179.6°180.0°
F20C02C01C03179.6°179.9°
F20C02C01C06179.2°180.0°
F20C02C03C04179.8°179.8°
F20C02C01H0110.8°0.0°
F20C02C03H0310.2°0.0°
C02C01C06H011180.0°180.0°
C02C01C06C07178.1°179.9°
C02C01C06C050.1°0.1°
C01C02C03C040.6°0.2°
C01C02C03H031179.4°179.9°
C06C01C02C030.4°0.0°
C01C06C07O191.4°0.0°
C01C06C07C05178.3°179.9°
C01C06C07N10178.5°179.9°
C01C06C05C041.2°0.1°
C01C06C05C08179.0°179.9°
C02C03C04H031180.0°179.9°
C02C03C04C051.9°0.2°
C03C02C01H011179.6°180.0°
C02C03C04H041178.1°180.0°
O19C07C06N10177.1°179.9°
O19C07C06C05179.7°179.9°
O19C07N10C09179.7°179.8°
O19C07N10H10.2°0.3°
C07C06C05C04179.4°179.9°
C06C07N10C093.1°0.2°
C07C06C05C082.7°0.0°
C07C06C01H0111.9°0.1°
C06C07N10H1176.9°179.8°
C06C05C04C032.2°0.1°
C05C06C07N103.2°0.0°
C06C05C04C08177.8°180.0°
C06C05C08C092.2°0.1°
C06C05C08C11179.9°179.6°
C05C06C01H011179.9°179.8°
C06C05C04H041177.8°179.8°
C03C04C05H041180.0°179.8°
C03C04C05C08180.0°179.9°
C07N10C09H1180.0°180.0°
C07N10C09C082.6°0.3°
C07N10C09C14179.2°179.6°
C17C16C15N1286.0°180.0°
C17C16C15H161120.7°120.0°
C17C16C15H162120.7°120.0°
C17C16C15H151153.0°60.0°
C17C16C15H15234.9°60.0°
C16C17H172H171119.2°120.1°
C17C16H161H162117.9°120.0°
C04C05C08C09179.9°179.9°
C04C05C08C112.3°0.4°
C05C04C03H031178.1°179.9°
N10C09C08C052.1°0.3°
N10C09C08C14178.2°179.9°
N10C09C08C11180.0°179.4°
N10C09C14C13178.4°162.8°
N10C09C14H14160.2°42.5°
N10C09C14H556.9°76.9°
C05C08C09C11177.9°179.7°
C05C08C09C14179.7°179.7°
C05C08C11N12179.8°162.9°
C08C05C04H0410.0°0.2°
C05C08C11H11158.4°42.6°
C05C08C11H458.1°76.7°
C08C09C14C133.4°17.3°
C09C08C11N122.4°17.4°
C08C09N10H1177.4°179.6°
C09C08C11H111119.4°137.7°
C08C09C14H141118.1°137.6°
C09C08C11H4124.2°103.0°
C08C09C14H5124.8°103.0°
C14C09C08C111.8°0.6°
C09C14C13H141121.5°120.2°
C09C14C13H5121.5°120.3°
C09C14C13N125.6°50.4°
C09C14C13H131127.2°69.2°
C14C09N10H10.8°0.4°
C09C14H141H5115.3°119.5°
C09C14C13H3116.1°170.2°
C08C11N12H111121.8°120.3°
C08C11N12H4121.8°120.4°
C08C11N12C134.6°51.8°
C08C11N12C15179.2°175.0°
C08C11H111H4114.1°119.3°
C14C13N12C116.2°70.2°
C14C13N12H131121.6°119.7°
C14C13N12H3121.6°119.8°
C14C13N12C15179.3°166.7°
C14C13H131H3114.7°120.6°
C13C14H141H5115.2°119.6°
C11N12C13C15174.5°123.2°
C11N12C15C16150.7°171.5°
C11N12C13H131127.8°49.5°
C11N12C15H15188.4°68.5°
C11N12C15H15229.7°51.5°
N12C11H111H4114.1°119.3°
C11N12C13H3115.5°170.1°
C13N12C15C1634.7°66.0°
N12C13H131H3114.8°120.6°
C13N12C15H15186.3°54.0°
C13N12C15H152155.6°174.0°
C13N12C11H111117.2°172.1°
N12C13C14H141115.9°170.7°
C13N12C11H4126.4°68.6°
N12C13C14H5127.0°69.9°
N12C15C16H151120.9°120.0°
N12C15C16H152120.9°120.0°
C15N12C13H13157.7°73.7°
N12C15H151H152117.0°120.0°
C15N12C11H11157.4°64.7°
N12C15C16H161153.3°60.0°
N12C15C16H16234.7°60.0°
C15N12C13H359.0°46.9°
C15N12C11H459.0°54.6°
C16C15H151H152117.0°120.0°
C15C16C17H17231.5°60.0°
C15C16C17H171150.9°60.0°
C15C16H161H162117.9°120.0°
H131C13C14H1415.7°51.0°
H131C13C14H5111.3°170.5°
H151C15C16H16132.4°179.9°
H151C15C16H16286.3°60.0°
H152C15C16H16185.8°59.9°
H152C15C16H162155.6°180.0°
H172C17C16H16189.2°180.0°
H172C17C16H162152.2°60.0°
H171C17C16H16130.2°59.9°
H171C17C16H16288.4°180.0°
H031C03C04H0411.9°0.2°
H141C14C13H3122.4°69.6°
H3C13C14H55.4°49.9°

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