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A1L1S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C02sing1.51Å1.52Å
C03C02doub1.39Å1.39ÅAromatic
C03C04sing1.37Å1.39ÅAromatic
C02N01sing1.31Å1.35ÅAromatic
C04C05doub1.41Å1.39ÅAromatic
N01C06doub1.34Å1.35ÅAromatic
C05C06sing1.42Å1.40ÅAromatic
C05C07sing1.41Å1.39ÅAromatic
C06N02sing1.34Å1.35ÅAromatic
C07C08doub1.36Å1.39ÅAromatic
N02C09doub1.32Å1.35ÅAromatic
C08C09sing1.40Å1.39ÅAromatic
C09N03sing1.39Å1.40Å
C24C23sing1.51Å1.52Å
N03C10sing1.35Å1.38Å
C23C22sing1.39Å1.39ÅAromatic
C23N07doub1.31Å1.35ÅAromatic
C22C21doub1.37Å1.39ÅAromatic
N07C20sing1.34Å1.35ÅAromatic
C10O01doub1.21Å1.21Å
C10C11sing1.51Å1.52Å
C21C19sing1.40Å1.39ÅAromatic
C20C19doub1.42Å1.40ÅAromatic
C20N06sing1.34Å1.35ÅAromatic
C11C12sing1.53Å1.54Å
C19C18sing1.41Å1.39ÅAromatic
N06C16doub1.32Å1.35ÅAromatic
C16N05sing1.39Å1.39Å
C16C17sing1.40Å1.39ÅAromatic
C12N04sing1.47Å1.53Å
C18C17doub1.36Å1.38ÅAromatic
N05C15sing1.35Å1.38Å
N04C13sing1.47Å1.53Å
C14C15sing1.51Å1.52Å
C14C13sing1.53Å1.54Å
C15O02doub1.21Å1.21Å
N05H15sing0.97Å1.00Å
C17H16sing1.08Å1.08Å
C18H17sing1.08Å1.08Å
C21H18sing1.08Å1.08Å
C22H19sing1.08Å1.08Å
C24H43sing1.09Å1.10Å
C24H41sing1.09Å1.10Å
C24H42sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
N04H20sing1.01Å1.00Å
C12H09sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C11H07sing1.09Å1.10Å
C11H08sing1.09Å1.10Å
N03H06sing0.97Å1.00Å
C08H05sing1.08Å1.08Å
C07H04sing1.08Å1.08Å
C04H03sing1.08Å1.08Å
C03H02sing1.08Å1.08Å
C01H31sing1.09Å1.10Å
C01H32sing1.09Å1.10Å
C01H33sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01C02C03119.5°119.1°
C01C02N01117.9°119.1°
C02C01H31109.5°109.5°
C02C01H32109.5°109.5°
C02C01H33109.4°109.5°
C02C03C04118.4°119.9°
C03C02N01122.6°121.7°
C02C03H02120.8°120.0°
C03C04C05118.6°118.1°
C03C04H03120.7°121.0°
C04C03H02120.8°120.1°
C02N01C06120.0°121.5°
C04C05C06121.0°119.2°
C04C05C07118.6°121.4°
C05C04H03120.7°120.9°
N01C06C05119.4°119.5°
N01C06N02120.5°120.8°
C06C05C07120.4°119.3°
C05C06N02120.1°119.7°
C05C07C08118.5°118.3°
C05C07H04120.7°120.9°
C06N02C09119.8°121.3°
C07C08C09119.2°119.7°
C07C08H05120.4°120.1°
C08C07H04120.8°120.9°
N02C09C08121.9°121.7°
N02C09N03115.3°119.2°
C08C09N03122.7°119.1°
C09C08H05120.4°120.1°
C09N03C10130.9°120.0°
C09N03H06114.6°120.1°
C24C23C22119.5°119.1°
C24C23N07117.8°119.1°
C23C24H43109.5°109.5°
C23C24H41109.5°109.4°
C23C24H42109.5°109.5°
N03C10O01123.7°120.0°
N03C10C11119.7°120.0°
C10N03H06114.6°120.0°
C22C23N07122.7°121.8°
C23C22C21118.4°119.8°
C23C22H19120.8°120.1°
C23N07C20119.7°121.4°
C22C21C19118.0°118.2°
C22C21H18121.0°120.9°
C21C22H19120.8°120.1°
N07C20C19119.4°119.6°
N07C20N06120.8°120.7°
O01C10C11116.5°120.0°
C10C11C12110.7°109.5°
C10C11H07109.2°109.5°
C10C11H08109.1°109.5°
C21C19C20120.9°119.2°
C21C19C18118.7°121.4°
C19C21H18121.0°120.9°
C19C20N06119.8°119.7°
C20C19C18120.4°119.3°
C20N06C16119.5°121.3°
C11C12N04112.5°109.5°
C11C12H09108.7°109.5°
C11C12H10108.7°109.5°
C12C11H07109.2°109.5°
C12C11H08109.2°109.5°
C19C18C17118.5°118.3°
C19C18H17120.8°120.9°
N06C16N05115.0°119.2°
N06C16C17122.5°121.7°
N05C16C17122.3°119.1°
C16N05C15130.0°120.0°
C16N05H15115.0°120.0°
C16C17C18118.6°119.7°
C16C17H16120.7°120.1°
C12N04C13111.1°111.0°
C12N04H20109.0°111.0°
N04C12H09108.7°109.4°
N04C12H10108.7°109.5°
C18C17H16120.7°120.1°
C17C18H17120.8°120.8°
N05C15C14117.3°120.0°
N05C15O02124.0°120.0°
C15N05H15115.0°120.0°
N04C13C14112.6°109.4°
N04C13H12108.7°109.5°
N04C13H11108.6°109.5°
C13N04H20109.1°111.0°
C15C14C13110.4°109.5°
C14C15O02118.3°120.0°
C15C14H14109.2°109.5°
C15C14H13109.2°109.4°
C13C14H14109.2°109.5°
C13C14H13109.2°109.5°
C14C13H12108.7°109.4°
C14C13H11108.7°109.4°
H43C24H41109.4°109.5°
H43C24H42109.5°109.4°
H41C24H42109.5°109.4°
H14C14H13109.5°109.4°
H12C13H11109.5°109.5°
H09C12H10109.5°109.4°
H07C11H08109.5°109.5°
H31C01H32109.5°109.4°
H31C01H33109.4°109.5°
H32C01H33109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01C02C03N01178.2°179.8°
C01C02C03C04177.7°180.0°
C01C02N01C06178.5°179.7°
C01C02C03H022.3°0.3°
C02C01H31H32120.0°120.0°
C02C01H31H33120.0°120.0°
C02C01H32H33120.0°120.0°
C02C03C04H02180.0°179.7°
C02C03C04C051.2°0.0°
C03C02N01C060.3°0.5°
C02C03C04H03178.8°179.9°
C03C02C01H31178.3°90.0°
C03C02C01H3261.7°150.0°
C03C02C01H3358.3°30.0°
C04C03C02N010.5°0.2°
C03C04C05H03180.0°179.9°
C03C04C05C061.2°0.0°
C03C04C05C07177.9°179.7°
C02N01C06C050.3°0.4°
C02N01C06N02179.3°179.7°
N01C02C03H02179.5°180.0°
N01C02C01H310.0°89.7°
N01C02C01H32120.0°30.2°
N01C02C01H33120.0°150.2°
C04C05C06N010.5°0.2°
C04C05C06C07179.1°179.8°
C04C05C06N02180.0°180.0°
C04C05C07C08178.5°179.7°
C04C05C07H041.5°0.3°
C05C04C03H02178.8°179.7°
N01C06C05N02179.6°179.8°
N01C06C05C07178.6°180.0°
N01C06N02C09179.6°179.7°
C06C05C07C082.4°0.0°
C05C06N02C090.1°0.5°
C06C05C07H04177.6°180.0°
C06C05C04H03178.8°180.0°
C07C05C06N021.0°0.2°
C05C07C08H04180.0°180.0°
C05C07C08C092.7°0.0°
C05C07C08H05177.3°180.0°
C07C05C04H032.1°0.2°
C06N02C09C080.4°0.5°
C06N02C09N03176.0°179.8°
C07C08C09N021.8°0.3°
C07C08C09H05180.0°180.0°
C07C08C09N03174.3°180.0°
N02C09C08N03176.1°179.7°
N02C09N03C10177.6°5.4°
N02C09N03H062.3°174.6°
N02C09C08H05178.2°179.7°
C08C09N03C101.3°174.9°
C08C09N03H06178.7°5.1°
C09C08C07H04177.3°180.0°
C09N03C10H06180.0°180.0°
C09N03C10O018.3°5.1°
C09N03C10C11167.5°174.9°
N03C09C08H055.7°0.1°
C24C23C22N07179.1°179.9°
C24C23C22C21179.5°180.0°
C24C23N07C20177.7°180.0°
C24C23C22H190.5°0.0°
C23C24H43H41120.0°120.0°
C23C24H43H42120.0°120.1°
C23C24H41H42120.0°120.0°
N03C10O01C11176.0°180.0°
N03C10C11C12130.9°180.0°
N03C10C11H0710.7°60.0°
N03C10C11H08108.9°60.0°
C23C22C21H19180.0°179.9°
C22C23N07C201.4°0.1°
C23C22C21C197.8°0.0°
C23C22C21H18172.2°179.9°
C22C23C24H43179.2°90.0°
C22C23C24H4160.8°150.0°
C22C23C24H4259.1°30.0°
N07C23C22C211.4°0.0°
C23N07C20C192.4°0.0°
C23N07C20N06177.0°179.8°
N07C23C22H19178.6°179.9°
N07C23C24H430.0°89.9°
N07C23C24H41120.0°30.1°
N07C23C24H42120.0°150.1°
C22C21C19H18180.0°179.9°
C22C21C19C2011.8°0.1°
C22C21C19C18168.9°180.0°
N07C20C19C219.2°0.0°
N07C20C19N06179.4°179.8°
N07C20C19C18171.6°180.0°
N07C20N06C16178.3°179.7°
O01C10C11C1245.2°0.0°
O01C10C11H07165.4°120.0°
O01C10C11H0874.9°120.0°
O01C10N03H06171.7°174.9°
C10C11C12H07120.2°120.0°
C10C11C12H08120.2°120.0°
C10C11C12N04111.0°180.0°
C10C11C12H09128.5°60.0°
C10C11C12H109.4°60.0°
C10C11H07H08119.4°120.0°
C11C10N03H0612.4°5.1°
C21C19C20C18179.2°180.0°
C21C19C20N06170.2°179.8°
C21C19C18C17168.8°180.0°
C21C19C18H1711.3°0.0°
C19C21C22H19172.2°180.0°
C19C20N06C162.2°0.5°
C20C19C18C1710.5°0.1°
C20C19C18H17169.5°180.0°
C20C19C21H18168.1°180.0°
N06C20C19C189.0°0.2°
C20N06C16N05172.7°179.8°
C20N06C16C172.9°0.5°
C11C12N04H09120.5°120.0°
C11C12N04H10120.5°120.1°
C11C12N04C13166.8°180.0°
C11C12N04H2046.6°56.1°
C11C12H09H10118.7°120.1°
C12C11H07H08119.5°120.1°
C19C18C17C165.4°0.1°
C19C18C17H17180.0°180.0°
C19C18C17H16174.6°180.0°
C18C19C21H1811.1°0.1°
N06C16N05C17175.6°179.7°
N06C16C17C181.2°0.2°
N06C16N05C15177.2°4.8°
N06C16N05H152.8°175.2°
N06C16C17H16178.8°179.7°
N05C16C17C18174.0°179.9°
C16N05C15H15180.0°180.0°
C16N05C15C14157.6°175.1°
C16N05C15O0214.5°5.1°
N05C16C17H166.0°0.0°
C16C17C18H16180.0°179.9°
C17C16N05C151.7°174.9°
C17C16N05H15178.4°5.1°
C16C17C18H17174.6°180.0°
C12N04C13H20120.2°123.9°
C12N04C13C14126.3°180.0°
C12N04C13H12113.2°60.1°
C12N04C13H115.8°60.0°
N04C12H09H10118.6°120.0°
N04C12C11H079.2°60.0°
N04C12C11H08128.8°60.0°
N05C15C14O02172.5°179.8°
N05C15C14C13128.6°179.7°
N05C15C14H148.4°60.2°
N05C15C14H13111.3°59.7°
N04C13C14C1567.3°180.0°
N04C13C14H12120.5°120.0°
N04C13C14H11120.5°120.0°
N04C13C14H1452.8°60.0°
N04C13C14H13172.5°60.0°
N04C13H12H11118.5°120.1°
C13N04C12H0972.7°60.0°
C13N04C12H1046.3°59.9°
C15C14C13H14120.1°120.1°
C15C14C13H13120.2°120.0°
C14C15N05H1522.4°4.8°
C15C14H14H13119.5°120.0°
C15C14C13H1253.2°60.0°
C15C14C13H11172.3°60.0°
C13C14C15O0244.0°0.0°
C13C14H14H13119.6°120.0°
C14C13H12H11118.6°119.9°
C14C13N04H206.1°56.1°
O02C15N05H15165.5°174.9°
O02C15C14H14164.1°120.0°
O02C15C14H1376.2°120.1°
H16C17C18H175.4°0.0°
H18C21C22H197.8°0.1°
H43C24H41H42120.0°120.0°
H14C14C13H12173.3°180.0°
H14C14C13H1167.6°60.0°
H13C14C13H1267.0°60.0°
H13C14C13H1152.1°180.0°
H12C13N04H20126.5°176.0°
H11C13N04H20114.4°63.9°
H20N04C12H09167.0°176.1°
H20N04C12H1073.9°64.0°
H09C12C11H07111.3°180.0°
H09C12C11H088.4°60.0°
H10C12C11H07129.6°60.0°
H10C12C11H08110.7°180.0°
H05C08C07H042.7°0.0°
H03C04C03H021.2°0.2°
H31C01H32H33120.0°120.0°

239149

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