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A1I5I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N02C01sing1.47Å1.46Å
C03N02sing1.37Å1.33ÅAromatic
N04C03doub1.30Å1.32ÅAromatic
N05N04sing1.29Å1.37ÅAromatic
C06N05doub1.31Å1.32ÅAromatic
S07C06sing1.76Å1.80Å
C08S07sing1.81Å1.80Å
C09C08sing1.51Å1.52Å
O10C09sing1.34Å1.27Å
O11C09doub1.21Å1.26Å
N02C06sing1.37Å1.31ÅAromatic
O10H1sing0.97Å0.95Å
C01H013sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C03H031sing1.08Å1.08Å
C08H081sing1.09Å1.10Å
C08H082sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01N02C03126.7°127.2°
C01N02C06125.1°127.1°
N02C01H013109.5°109.5°
N02C01H011109.5°109.5°
N02C01H012109.5°109.4°
N02C03N04108.5°107.3°
C03N02C06108.1°105.7°
N02C03H031125.7°126.3°
C03N04N05107.2°110.1°
N04C03H031125.8°126.3°
N04N05C06106.7°109.8°
N05C06S07122.9°126.5°
N05C06N02109.4°107.0°
C06S07C08100.1°100.0°
S07C06N02127.7°126.5°
S07C08C09113.3°109.5°
S07C08H081108.5°109.5°
S07C08H082108.5°109.5°
C08C09O10120.4°120.0°
C08C09O11116.7°120.0°
C09C08H081108.5°109.5°
C09C08H082108.5°109.4°
O10C09O11123.0°120.0°
C09O10H1109.5°116.9°
H013C01H011109.5°109.5°
H013C01H012109.5°109.5°
H011C01H012109.4°109.5°
H081C08H082109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01N02C03C06179.4°180.0°
C01N02C03N04179.8°179.7°
C01N02C06N05179.8°179.6°
C01N02C06S071.1°0.1°
N02C01H013H011120.0°120.0°
N02C01H013H012120.0°119.9°
N02C01H011H012120.0°120.0°
C01N02C03H0310.2°0.0°
N02C03N04H031180.0°179.7°
N02C03N04N050.2°0.1°
C03N02C06N050.4°0.4°
C03N02C06S07179.5°180.0°
C03N02C01H013180.0°90.0°
C03N02C01H01160.0°149.9°
C03N02C01H01260.0°29.9°
C03N04N05C060.0°0.2°
N04C03N02C060.4°0.3°
N04N05C06S07179.4°180.0°
N04N05C06N020.3°0.4°
N05N04C03H031179.8°179.8°
N05C06S07N02179.0°179.5°
N05C06S07C088.1°0.0°
C06S07C08C09160.3°180.0°
C06S07C08H08179.1°60.0°
C06S07C08H08239.7°60.0°
S07C08C09H081120.6°120.0°
S07C08C09H082120.6°120.0°
S07C08C09O105.4°180.0°
S07C08C09O11175.2°0.1°
C08S07C06N02170.9°179.4°
S07C08H081H082118.2°120.0°
C08C09O10O11179.4°179.9°
C08C09O10H1179.5°179.9°
C09C08H081H082118.3°120.0°
O10C09C08H081115.2°60.0°
O10C09C08H082125.9°60.0°
O11C09O10H10.0°0.0°
O11C09C08H08164.3°119.9°
O11C09C08H08254.6°120.0°
C06N02C01H0130.7°90.0°
C06N02C01H011119.3°30.0°
C06N02C01H012120.7°150.0°
C06N02C03H031179.6°180.0°
H013C01H011H012120.0°120.0°

248335

PDB entries from 2026-01-28

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