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JMJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S07C06sing1.76Å1.84ÅAromatic
S07C03sing1.76Å1.92ÅAromatic
N08C06sing1.39Å1.42Å
N08C09sing1.35Å1.45Å
C06N05doub1.30Å1.33ÅAromatic
S02C03sing1.76Å2.03Å
S02C01sing1.81Å1.79Å
C03N04doub1.30Å1.33ÅAromatic
C12C11doub1.36Å1.38ÅAromatic
C12C13sing1.40Å1.47ÅAromatic
C09C11sing1.47Å1.47Å
C09O10doub1.22Å1.23Å
C11O15sing1.35Å1.41ÅAromatic
C13C14doub1.35Å1.39ÅAromatic
N05N04sing1.38Å1.26ÅAromatic
O15C14sing1.34Å1.38ÅAromatic
C13H131sing1.08Å1.08Å
C01H013sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
N08H081sing0.97Å1.00Å
C12H121sing1.08Å1.08Å
C14H141sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C06S07C0389.8°90.4°
S07C06N08132.9°125.4°
S07C06N05103.8°109.3°
S07C03S02131.3°125.4°
S07C03N04103.0°109.1°
C06N08C09121.1°120.0°
N08C06N05123.3°125.3°
C06N08H081119.5°120.0°
N08C09C11138.0°120.0°
N08C09O10111.0°120.0°
C09N08H081119.5°120.0°
C06N05N04123.2°115.6°
C03S02C01104.2°103.0°
S02C03N04125.7°125.5°
S02C01H013109.5°109.5°
S02C01H011109.5°109.5°
S02C01H012109.5°109.4°
C03N04N05120.1°115.7°
C11C12C13108.7°106.7°
C12C11C09133.0°126.0°
C12C11O15105.6°108.0°
C11C12H121125.7°126.6°
C12C13C14106.7°107.1°
C12C13H131126.7°126.5°
C13C12H121125.6°126.6°
C11C09O10110.7°120.0°
C09C11O15121.2°126.0°
C11O15C14111.9°109.4°
C13C14O15107.0°108.8°
C14C13H131126.7°126.4°
C13C14H141126.5°125.7°
O15C14H141126.5°125.6°
H013C01H011109.5°109.5°
H013C01H012109.5°109.5°
H011C01H012109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S07C06N08N05179.7°179.7°
S07C06N08C09147.7°179.7°
C06S07C03S02179.3°179.9°
C06S07C03N040.0°0.3°
S07C06N05N043.3°0.3°
S07C06N08H08132.3°0.3°
C03S07C06N08178.3°179.9°
C03S07C06N051.5°0.3°
S07C03S02N04179.2°179.8°
S07C03S02C01147.8°179.7°
S07C03N04N051.9°0.2°
C06N08C09H081180.0°180.0°
C06N08C09C11175.6°180.0°
C06N08C09O101.8°0.0°
N08C06N05N04176.5°180.0°
C09N08C06N0532.1°0.0°
N08C09C11C122.7°179.5°
N08C09C11O10173.8°180.0°
N08C09C11O15171.5°0.0°
C06N05N04C033.8°0.0°
N05C06N08H081147.9°180.0°
S02C03N04N05178.7°180.0°
C03S02C01H013180.0°180.0°
C03S02C01H01160.0°60.0°
C03S02C01H01260.0°60.0°
C01S02C03N0431.4°0.0°
S02C01H013H011120.0°120.0°
S02C01H013H012120.0°119.9°
S02C01H011H012120.0°120.0°
C11C12C13H121180.0°180.0°
C12C11C09O15174.1°179.5°
C12C11C09O10176.5°0.5°
C11C12C13C140.1°0.0°
C12C11O15C142.1°0.4°
C11C12C13H131179.8°179.6°
C13C12C11C09176.1°179.8°
C13C12C11O151.3°0.3°
C12C13C14H131180.0°179.7°
C12C13C14O151.1°0.2°
C12C13C14H141178.9°179.8°
C09C11O15C14177.6°180.0°
C11C09N08H0814.4°0.0°
C09C11C12H1213.9°0.2°
O10C09C11O152.4°180.0°
O10C09N08H081178.2°180.0°
C11O15C14C132.0°0.4°
O15C11C12H121178.7°179.8°
C11O15C14H141178.0°179.6°
C13C14O15H141180.0°180.0°
C14C13C12H121179.8°180.0°
O15C14C13H131178.9°179.9°
H131C13C12H1210.2°0.3°
H131C13C14H1411.1°0.1°
H013C01H011H012120.0°120.0°

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PDB entries from 2026-01-21

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