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9F9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01O05sing1.43Å1.44Å
O05C06sing1.36Å1.37Å
C06C07sing1.39Å1.39ÅAromatic
C06C15doub1.40Å1.40ÅAromatic
C07C09doub1.38Å1.38ÅAromatic
C09C11sing1.39Å1.38ÅAromatic
C11C13doub1.38Å1.38ÅAromatic
C13C15sing1.40Å1.40ÅAromatic
C15C16sing1.48Å1.50Å
C16O17doub1.22Å1.23Å
C16N18sing1.35Å1.36Å
N18C20sing1.40Å1.42Å
C20C21sing1.39Å1.40ÅAromatic
C20C39doub1.39Å1.41ÅAromatic
C21C23doub1.39Å1.39ÅAromatic
C23N24sing1.40Å1.39Å
C23C36sing1.40Å1.39ÅAromatic
N24C25sing1.46Å1.46Å
N24C29sing1.35Å1.38Å
C29O30doub1.22Å1.22Å
C29N31sing1.35Å1.38Å
N31C32sing1.47Å1.48Å
N31C36sing1.39Å1.39Å
C36C37doub1.39Å1.38ÅAromatic
C37C39sing1.39Å1.42ÅAromatic
C39N40sing1.40Å1.39Å
N40C41sing1.47Å1.47Å
N40C53sing1.47Å1.46Å
C41C44sing1.53Å1.51Å
C44C47sing1.53Å1.52Å
C47C50sing1.53Å1.51Å
C50C53sing1.53Å1.50Å
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C07H07sing1.08Å1.08Å
C09H09sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
N18H18sing0.97Å1.00Å
C21H21sing1.08Å1.08Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C25H253sing1.09Å1.10Å
C32H321sing1.09Å1.10Å
C32H322sing1.09Å1.10Å
C32H323sing1.09Å1.10Å
C37H37sing1.08Å1.08Å
C41H411sing1.09Å1.10Å
C41H412sing1.09Å1.10Å
C53H531sing1.09Å1.10Å
C53H532sing1.09Å1.10Å
C44H441sing1.09Å1.10Å
C44H442sing1.09Å1.10Å
C47H471sing1.09Å1.10Å
C47H472sing1.09Å1.10Å
C50H501sing1.09Å1.10Å
C50H502sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01O05C06117.2°117.0°
O05C01H011109.5°109.5°
O05C01H012109.4°109.5°
O05C01H013109.5°109.5°
O05C06C07122.1°120.2°
O05C06C15116.7°120.2°
C07C06C15121.1°119.7°
C06C07C09119.4°120.1°
C06C07H07120.3°119.9°
C06C15C13117.9°119.6°
C06C15C16127.8°120.1°
C07C09C11120.4°120.4°
C09C07H07120.3°120.0°
C07C09H09119.8°119.8°
C09C11C13120.6°120.3°
C11C09H09119.8°119.8°
C09C11H11119.7°119.8°
C11C13C15120.5°119.9°
C13C11H11119.7°119.8°
C11C13H13119.7°120.1°
C13C15C16114.2°120.2°
C15C13H13119.7°120.0°
C15C16O17121.2°120.0°
C15C16N18116.5°120.0°
O17C16N18122.3°120.0°
C16N18C20130.2°120.0°
C16N18H18114.9°120.0°
N18C20C21120.0°120.0°
N18C20C39116.5°120.0°
C20N18H18114.9°120.0°
C21C20C39123.4°120.0°
C20C21C23118.9°119.9°
C20C21H21120.6°120.0°
C20C39C37114.7°120.1°
C20C39N40123.2°119.9°
C21C23N24132.5°133.1°
C21C23C36120.0°120.0°
C23C21H21120.5°120.1°
N24C23C36107.5°106.8°
C23N24C25126.3°125.8°
C23N24C29109.5°108.3°
C23C36N31107.0°106.8°
C23C36C37120.1°120.0°
C25N24C29124.2°125.8°
N24C25H251109.5°109.5°
N24C25H252109.5°109.4°
N24C25H253109.5°109.5°
N24C29O30126.6°125.2°
N24C29N31106.4°109.7°
O30C29N31127.0°125.2°
C29N31C32123.9°125.8°
C29N31C36109.6°108.4°
C32N31C36126.5°125.8°
N31C32H321109.5°109.4°
N31C32H322109.5°109.4°
N31C32H323109.5°109.5°
N31C36C37132.9°133.2°
C36C37C39122.9°119.9°
C36C37H37118.5°120.0°
C37C39N40122.0°119.9°
C39C37H37118.6°120.1°
C39N40C41113.0°111.0°
C39N40C53120.2°111.1°
C41N40C53114.9°111.1°
N40C41C44112.7°109.6°
N40C41H411108.7°109.5°
N40C41H412108.7°109.4°
N40C53C50109.9°109.6°
N40C53H531109.4°109.4°
N40C53H532109.4°109.4°
C41C44C47110.5°109.3°
C44C41H411108.7°109.5°
C44C41H412108.6°109.5°
C41C44H441109.2°109.6°
C41C44H442109.2°109.5°
C44C47C50110.7°109.2°
C47C44H441109.2°109.5°
C47C44H442109.2°109.5°
C44C47H471109.1°109.6°
C44C47H472109.1°109.6°
C47C50C53110.8°109.3°
C50C47H471109.2°109.5°
C50C47H472109.1°109.5°
C47C50H501109.2°109.5°
C47C50H502109.2°109.5°
C50C53H531109.4°109.5°
C50C53H532109.3°109.5°
C53C50H501109.1°109.5°
C53C50H502109.1°109.5°
H011C01H012109.5°109.4°
H011C01H013109.4°109.5°
H012C01H013109.5°109.4°
H251C25H252109.5°109.4°
H251C25H253109.4°109.6°
H252C25H253109.5°109.4°
H321C32H322109.5°109.5°
H321C32H323109.5°109.5°
H322C32H323109.4°109.5°
H411C41H412109.5°109.4°
H531C53H532109.5°109.4°
H441C44H442109.5°109.5°
H471C47H472109.5°109.6°
H501C50H502109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01O05C06C076.0°0.0°
C01O05C06C15172.0°179.7°
O05C01H011H012120.0°120.0°
O05C01H011H013120.0°120.1°
O05C01H012H013120.0°120.0°
O05C06C07C15178.0°179.8°
O05C06C07C09179.7°180.0°
O05C06C15C13179.0°179.7°
O05C06C15C163.5°0.0°
C06O05C01H011180.0°60.0°
C06O05C01H01260.0°180.0°
C06O05C01H01360.0°60.0°
O05C06C07H070.3°0.0°
C06C07C09H07180.0°180.0°
C06C07C09C111.3°0.1°
C07C06C15C132.9°0.6°
C07C06C15C16178.4°179.7°
C06C07C09H09178.7°180.0°
C15C06C07C092.4°0.2°
C06C15C13C112.5°0.6°
C06C15C13C16176.1°179.7°
C06C15C16O17174.8°0.0°
C06C15C16N188.4°180.0°
C15C06C07H07177.6°179.7°
C06C15C13H13177.5°179.7°
C07C09C11H09180.0°179.9°
C07C09C11C130.8°0.0°
C07C09C11H11179.1°180.0°
C09C11C13H11180.0°180.0°
C09C11C13C151.5°0.3°
C11C09C07H07178.7°180.0°
C09C11C13H13178.5°180.0°
C11C13C15H13180.0°179.7°
C11C13C15C16178.6°179.7°
C13C11C09H09179.2°180.0°
C13C15C16O179.5°179.7°
C13C15C16N18167.3°0.3°
C15C13C11H11178.5°179.7°
C15C16O17N18176.6°180.0°
C15C16N18C20173.9°175.5°
C16C15C13H131.4°0.0°
C15C16N18H186.1°4.5°
O17C16N18C202.9°4.6°
O17C16N18H18177.1°175.5°
C16N18C20H18180.0°180.0°
C16N18C20C2119.6°34.7°
C16N18C20C39156.2°145.6°
N18C20C21C39175.5°179.7°
N18C20C21C23177.2°180.0°
N18C20C39C37177.8°179.7°
N18C20C39N400.6°0.0°
N18C20C21H212.8°0.0°
C20C21C23H21180.0°180.0°
C20C21C23N24178.9°180.0°
C20C21C23C360.8°0.0°
C21C20C39C372.2°0.6°
C21C20C39N40176.2°179.7°
C21C20N18H18160.4°145.3°
C39C20C21C231.8°0.3°
C20C39C37C361.7°0.6°
C20C39C37N40178.4°179.7°
C20C39N40C4175.9°120.0°
C20C39N40C53143.2°115.8°
C39C20N18H1823.8°34.4°
C39C20C21H21178.2°179.7°
C20C39C37H37178.2°179.7°
C21C23N24C36179.7°180.0°
C21C23N24C250.4°0.1°
C21C23N24C29179.9°180.0°
C21C23C36N31179.9°180.0°
C21C23C36C370.4°0.0°
C23N24C25C29179.4°180.0°
C23N24C29O30179.7°179.9°
C23N24C29N310.4°0.1°
N24C23C36N310.4°0.0°
N24C23C36C37179.4°180.0°
N24C23C21H211.1°0.0°
C23N24C25H251180.0°90.1°
C23N24C25H25260.0°150.0°
C23N24C25H25360.0°30.1°
C36C23N24C25180.0°179.9°
C36C23N24C290.5°0.1°
C23C36N31C290.1°0.0°
C23C36N31C32179.4°180.0°
C23C36N31C37179.7°179.9°
C23C36C37C390.9°0.3°
C36C23C21H21179.2°180.0°
C23C36C37H37179.1°180.0°
C25N24C29O300.2°0.1°
C25N24C29N31179.9°179.9°
N24C25H251H252120.0°120.0°
N24C25H251H253120.0°120.1°
N24C25H252H253120.0°120.0°
N24C29O30N31179.9°179.9°
N24C29N31C32179.7°180.0°
N24C29N31C360.2°0.0°
C29N24C25H2510.6°89.9°
C29N24C25H252120.6°30.0°
C29N24C25H253119.4°150.0°
O30C29N31C320.3°0.1°
O30C29N31C36179.9°179.9°
C29N31C32C36179.5°180.0°
C29N31C36C37179.5°179.9°
C29N31C32H321180.0°0.0°
C29N31C32H32260.0°119.9°
C29N31C32H32360.0°120.0°
C32N31C36C370.9°0.1°
N31C32H321H322120.0°119.9°
N31C32H321H323120.0°120.0°
N31C32H322H323120.0°120.0°
N31C36C37C39179.5°179.8°
C36N31C32H3210.5°180.0°
C36N31C32H322120.5°60.0°
C36N31C32H323119.5°60.0°
N31C36C37H370.6°0.1°
C36C37C39H37180.0°179.7°
C36C37C39N40176.7°179.7°
C37C39N40C41102.4°60.3°
C37C39N40C5338.5°63.9°
C39N40C41C53143.1°124.1°
C39N40C41C44165.1°174.1°
C39N40C53C50164.9°174.2°
N40C39C37H373.3°0.1°
C39N40C41H41174.4°65.8°
C39N40C41H41244.6°54.1°
C39N40C53H53144.9°54.1°
C39N40C53H53275.0°65.7°
N40C41C44H411120.5°120.1°
N40C41C44H412120.5°120.0°
N40C41C44C4749.7°59.2°
C41N40C53C5054.8°61.7°
N40C41H411H412118.6°119.9°
C41N40C53H531174.9°178.2°
C41N40C53H53265.2°58.4°
N40C41C44H441169.9°179.1°
N40C41C44H44270.4°60.7°
C53N40C41C4451.8°61.7°
N40C53C50C4757.5°59.2°
N40C53C50H531120.1°120.0°
N40C53C50H532120.1°120.0°
C53N40C41H41168.7°58.4°
C53N40C41H412172.3°178.2°
N40C53H531H532119.8°119.9°
N40C53C50H501177.6°179.1°
N40C53C50H50262.8°60.8°
C41C44C47H441120.2°120.0°
C41C44C47H442120.2°119.9°
C41C44C47C5053.5°57.7°
C44C41H411H412118.5°119.9°
C41C44H441H442119.5°120.1°
C41C44C47H47166.7°62.2°
C41C44C47H472173.7°177.5°
C44C47C50H471120.2°120.0°
C44C47C50H472120.2°119.9°
C44C47C50C5358.1°57.7°
C47C44C41H41170.8°60.9°
C47C44C41H412170.2°179.2°
C47C44H441H442119.5°120.1°
C44C47H471H472119.4°120.2°
C44C47C50H501178.3°177.6°
C44C47C50H50262.0°62.2°
C47C50C53H501120.2°119.9°
C47C50C53H502120.2°120.0°
C47C50C53H531177.5°179.2°
C47C50C53H53262.6°60.8°
C50C47C44H441173.7°177.6°
C50C47C44H44266.7°62.2°
C50C47H471H472119.4°120.1°
C47C50H501H502119.4°120.2°
C50C53H531H532119.8°120.0°
C53C50C47H47162.0°62.3°
C53C50C47H472178.3°177.6°
C53C50H501H502119.4°120.1°
H011C01H012H013120.0°120.0°
H07C07C09H091.2°0.0°
H09C09C11H110.8°0.1°
H11C11C13H131.5°0.0°
H251C25H252H253120.0°120.0°
H321C32H322H323120.0°120.1°
H411C41C44H44149.4°59.0°
H411C41C44H442169.1°179.2°
H412C41C44H44169.6°60.8°
H412C41C44H44250.1°59.3°
H531C53C50H50162.3°60.8°
H531C53C50H50257.3°59.3°
H532C53C50H50157.6°59.1°
H532C53C50H502177.2°179.2°
H441C44C47H47153.5°57.7°
H441C44C47H47266.2°62.5°
H442C44C47H471173.1°177.8°
H442C44C47H47253.5°57.6°
H471C47C50H50158.1°57.6°
H471C47C50H502177.8°177.8°
H472C47C50H50161.5°62.5°
H472C47C50H50258.1°57.7°

225158

PDB entries from 2024-09-18

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