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30E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C02sing1.53Å1.53Å
C02C03sing1.53Å1.54Å
C03C04sing1.53Å1.53Å
C03C27sing1.53Å1.55Å
C04N05sing1.47Å1.45Å
N05C06sing1.39Å1.50Å
N05C25sing1.47Å1.47Å
C06N07doub1.32Å1.41ÅAromatic
C06C23sing1.40Å1.45ÅAromatic
N07C08sing1.33Å1.40ÅAromatic
C08C09sing1.48Å1.41ÅAromatic
C08C21doub1.39Å1.43ÅAromatic
C09C10sing1.39Å1.46ÅAromatic
C09C20doub1.39Å1.45ÅAromatic
C10C11doub1.38Å1.48ÅAromatic
C11O12sing1.36Å1.41Å
C11C14sing1.39Å1.46ÅAromatic
O12C13sing1.43Å1.40Å
C14O15sing1.36Å1.40Å
C14C17doub1.39Å1.45ÅAromatic
O15C16sing1.43Å1.41Å
C17O18sing1.36Å1.40Å
C17C20sing1.38Å1.49ÅAromatic
O18C19sing1.43Å1.39Å
C21N22sing1.32Å1.44ÅAromatic
N22C23doub1.32Å1.39ÅAromatic
C23N24sing1.39Å1.45Å
C25C26sing1.53Å1.55Å
C26C27sing1.53Å1.55Å
C27C28sing1.51Å1.52Å
C28O29doub1.21Å1.19Å
C28O30sing1.34Å1.40Å
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C02H021sing1.09Å1.10Å
C02H022sing1.09Å1.10Å
C03H03sing1.09Å1.10Å
C04H041sing1.09Å1.10Å
C04H042sing1.09Å1.10Å
C27H27sing1.09Å1.10Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C21H21sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C13H133sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C16H163sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
N24H241sing0.97Å1.00Å
N24H242sing0.97Å1.00Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
O30H30sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01C02C03117.2°109.5°
C02C01H011109.5°109.4°
C02C01H012109.4°109.5°
C02C01H013109.5°109.5°
C01C02H021107.0°109.4°
C01C02H022105.2°109.5°
C02C03C04118.7°109.5°
C02C03C27118.4°109.5°
C03C02H021107.0°109.4°
C03C02H022105.2°109.4°
C02C03H0394.6°109.5°
C04C03C27112.9°109.3°
C03C04N05107.2°109.5°
C04C03H03103.5°109.4°
C03C04H041110.2°109.4°
C03C04H042110.7°109.5°
C03C27C26111.9°109.2°
C03C27C28115.7°109.6°
C27C03H03104.1°109.6°
C03C27H27107.5°109.5°
C04N05C06124.7°111.0°
C04N05C25121.6°111.2°
N05C04H041110.2°109.5°
N05C04H042110.7°109.5°
C06N05C25111.4°111.0°
N05C06N07116.2°120.1°
N05C06C23124.2°120.0°
N05C25C26111.6°109.5°
N05C25H251108.8°109.5°
N05C25H252108.3°109.4°
N07C06C23119.5°119.9°
C06N07C08121.0°119.9°
C06C23N22119.1°119.9°
C06C23N24122.0°120.1°
N07C08C09117.6°119.9°
N07C08C21120.3°120.1°
C09C08C21122.1°120.0°
C08C09C10117.4°120.0°
C08C09C20121.2°120.1°
C08C21N22118.6°120.2°
C08C21H21120.7°119.9°
C10C09C20121.2°119.9°
C09C10C11119.6°120.0°
C09C10H10120.2°120.0°
C09C20C17118.7°119.9°
C09C20H20120.6°120.0°
C10C11O12121.4°120.0°
C10C11C14119.6°120.0°
C11C10H10120.2°120.0°
O12C11C14119.0°120.0°
C11O12C13120.9°117.0°
C11C14O15118.1°119.9°
C11C14C17120.6°120.1°
O12C13H131109.5°109.5°
O12C13H132109.5°109.5°
O12C13H133109.4°109.5°
O15C14C17121.3°120.0°
C14O15C16117.9°117.0°
C14C17O18119.7°120.0°
C14C17C20120.3°120.1°
O15C16H161109.5°109.5°
O15C16H162109.5°109.5°
O15C16H163109.4°109.4°
O18C17C20120.1°120.0°
C17O18C19119.9°117.0°
C17C20H20120.6°120.0°
O18C19H191109.5°109.5°
O18C19H192109.5°109.5°
O18C19H193109.5°109.5°
C21N22C23121.5°120.1°
N22C21H21120.7°120.0°
N22C23N24118.9°120.0°
C23N24H241109.5°119.9°
C23N24H242109.5°120.0°
C25C26C27112.6°109.3°
C26C25H251108.8°109.5°
C26C25H252108.3°109.5°
C25C26H261108.4°109.5°
C25C26H262107.7°109.6°
C26C27C28119.0°109.5°
C26C27H27102.7°109.5°
C27C26H261108.4°109.5°
C27C26H262107.7°109.5°
C27C28O29119.3°120.0°
C27C28O30120.6°120.0°
C28C27H2797.2°109.5°
O29C28O30120.1°120.0°
C28O30H30109.5°117.1°
H011C01H012109.5°109.5°
H011C01H013109.5°109.5°
H012C01H013109.5°109.5°
H021C02H022115.7°109.5°
H041C04H042107.7°109.5°
H251C25H252111.1°109.5°
H131C13H132109.5°109.4°
H131C13H133109.5°109.4°
H132C13H133109.5°109.5°
H161C16H162109.5°109.5°
H161C16H163109.5°109.5°
H162C16H163109.5°109.5°
H191C19H192109.5°109.5°
H191C19H193109.4°109.4°
H192C19H193109.5°109.5°
H241N24H242109.5°120.0°
H261C26H262112.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01C02C03H021120.0°120.0°
C01C02C03H022116.5°120.0°
C01C02C03C0434.6°64.9°
C01C02C03C27108.5°175.2°
C02C01H011H012120.0°120.0°
C02C01H011H013120.0°120.0°
C02C01H012H013120.0°120.0°
C01C02H021H022116.9°120.0°
C01C02C03H03142.7°55.0°
C02C03C04C27145.1°120.0°
C02C03C04H03103.0°120.0°
C02C03C27H03103.3°120.1°
C02C03C04N0583.1°60.8°
C02C03C27C26107.2°62.3°
C02C03C27C2833.5°57.6°
C03C02C01H011147.2°60.0°
C03C02C01H01227.2°180.0°
C03C02C01H01392.8°59.9°
C03C02H021H022116.8°120.0°
C02C03C04H041156.8°179.2°
C02C03C04H04237.8°59.2°
C02C03C27H27140.8°177.8°
C04C03C27H03111.5°120.0°
C03C04N05H041120.0°120.0°
C03C04N05H042120.9°120.1°
C03C04N05C06171.3°174.2°
C03C04N05C2527.4°61.7°
C04C03C27C2638.0°57.6°
C04C03C27C28178.7°177.6°
C04C03C02H021154.6°55.0°
C04C03C02H02281.8°175.0°
C03C04H041H042120.9°120.0°
C04C03C27H2774.0°62.2°
C27C03C04N0561.9°59.2°
C03C27C26C2518.3°57.7°
C03C27C26C28139.2°119.9°
C03C27C26H27115.0°119.9°
C03C27C28H27113.3°120.2°
C03C27C28O2941.9°0.1°
C03C27C28O30136.7°180.0°
C27C03C02H02111.4°64.8°
C27C03C02H022135.0°55.2°
C27C03C04H04158.1°60.8°
C27C03C04H042177.2°179.2°
C03C27C26H261101.7°177.6°
C03C27C26H262136.9°62.3°
C04N05C06C25162.9°124.2°
C04N05C06N073.3°62.3°
C04N05C06C23174.6°117.5°
C04N05C25C2627.6°61.8°
N05C04C03H03173.9°179.2°
N05C04H041H042120.9°120.0°
C04N05C25H251147.6°58.2°
C04N05C25H25291.5°178.2°
N05C06N07C23178.0°179.8°
N05C06N07C08178.2°180.0°
N05C06C23N22178.8°179.8°
N05C06C23N240.3°0.1°
C06N05C25C26135.9°174.2°
C06N05C04H04168.7°65.8°
C06N05C04H04250.4°54.1°
C06N05C25H25115.9°65.8°
C06N05C25H252104.9°54.2°
C25N05C06N07159.6°61.9°
C25N05C06C2322.5°118.3°
N05C25C26H251120.0°120.0°
N05C25C26H252119.1°120.0°
N05C25C26C2751.6°59.2°
C25N05C04H04192.6°58.2°
C25N05C04H042148.3°178.2°
N05C25H251H252119.1°119.9°
N05C25C26H26168.4°179.1°
N05C25C26H262170.2°60.8°
C06N07C08C09177.4°180.0°
C06N07C08C210.9°0.0°
N07C06C23N221.0°0.5°
N07C06C23N24177.5°179.7°
C23C06N07C080.2°0.2°
C06C23N22C210.7°0.5°
C06C23N22N24178.5°179.8°
C06C23N24H2416.9°5.9°
C06C23N24H242113.2°174.1°
N07C08C09C21176.4°180.0°
N07C08C09C109.3°175.0°
N07C08C09C20174.8°4.7°
N07C08C21N221.2°0.0°
N07C08C21H21178.8°179.9°
C08C09C10C20175.9°179.7°
C08C09C10C11178.1°180.0°
C08C09C20C17177.6°179.7°
C09C08C21N22177.5°180.0°
C09C08C21H212.5°0.1°
C08C09C10H101.9°0.1°
C08C09C20H202.4°0.0°
C21C08C09C10167.2°5.0°
C21C08C09C208.8°175.3°
C08C21N22H21180.0°179.9°
C08C21N22C230.4°0.2°
C09C10C11H10180.0°179.9°
C09C10C11O12179.3°180.0°
C09C10C11C140.9°0.0°
C10C09C20C171.8°0.6°
C10C09C20H20178.2°179.7°
C20C09C10C112.2°0.3°
C09C20C17C140.1°0.5°
C09C20C17O18178.5°179.8°
C09C20C17H20180.0°179.7°
C20C09C10H10177.8°179.8°
C10C11O12C14178.4°180.0°
C10C11O12C135.8°0.0°
C10C11C14O15178.4°180.0°
C10C11C14C170.8°0.0°
O12C11C14O150.0°0.0°
O12C11C14C17177.7°180.0°
O12C11C10H100.7°0.1°
C11O12C13H13183.6°180.0°
C11O12C13H13236.4°60.0°
C11O12C13H133156.4°60.0°
C14C11O12C13175.8°180.0°
C11C14O15C17177.7°179.9°
C11C14O15C1670.3°90.0°
C11C14C17O18177.3°179.9°
C11C14C17C201.2°0.2°
C14C11C10H10179.1°179.9°
O12C13H131H132120.0°120.0°
O12C13H131H133120.0°120.0°
O12C13H132H133120.0°120.0°
O15C14C17O180.3°0.0°
O15C14C17C20178.8°179.7°
C14O15C16H161126.5°60.0°
C14O15C16H1626.5°60.0°
C14O15C16H163113.5°180.0°
C17C14O15C16107.4°89.9°
C14C17O18C20178.5°179.7°
C14C17O18C19169.3°180.0°
C14C17C20H20179.9°179.8°
O15C16H161H162120.0°120.0°
O15C16H161H163120.0°119.9°
O15C16H162H163120.0°119.9°
O18C17C20H201.4°0.1°
C17O18C19H19120.3°60.1°
C17O18C19H19299.7°60.0°
C17O18C19H193140.2°180.0°
C20C17O18C1912.2°0.4°
O18C19H191H192120.0°120.0°
O18C19H191H193120.0°120.0°
O18C19H192H193120.0°120.0°
C21N22C23N24177.9°179.7°
C23N22C21H21179.6°179.7°
N22C23N24H241171.6°173.9°
N22C23N24H24268.3°6.1°
C23N24H241H242120.0°180.0°
C25C26C27H261120.0°119.9°
C25C26C27H262118.6°120.0°
C25C26C27C28120.9°177.6°
C25C26C27H27133.3°62.2°
C26C25H251H252119.1°120.0°
C25C26H261H262118.7°120.1°
C26C27C28H27108.9°120.1°
C26C27C28O29179.6°119.7°
C26C27C28O301.0°60.3°
C26C27C03H03149.5°177.6°
C27C26C25H251171.6°60.8°
C27C26C25H25267.6°179.2°
C27C26H261H262118.7°120.1°
C27C28O29O30178.6°179.9°
C28C27C03H0369.8°62.5°
C28C27C26H261119.1°62.5°
C28C27C26H2622.3°57.6°
C27C28O30H30178.6°180.0°
O29C28C27H2771.5°120.2°
O29C28O30H300.0°0.1°
O30C28C27H27109.9°59.9°
H011C01H012H013120.0°120.0°
H011C01C02H02127.2°180.0°
H011C01C02H02296.4°60.0°
H012C01C02H02192.8°60.0°
H012C01C02H022143.6°60.0°
H013C01C02H021147.2°60.0°
H013C01C02H02223.6°180.0°
H021C02C03H0397.3°175.0°
H022C02C03H0326.3°65.0°
H03C03C04H04153.8°59.2°
H03C03C04H04265.3°60.8°
H03C03C27H2737.5°57.7°
H27C27C26H26113.3°57.7°
H27C27C26H262108.1°177.8°
H251C25C26H26151.6°59.1°
H251C25C26H26269.8°179.2°
H252C25C26H261172.4°60.9°
H252C25C26H26251.0°59.2°
H131C13H132H133120.0°119.9°
H161C16H162H163120.0°120.1°
H191C19H192H193119.9°120.0°

248942

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