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A1AZ8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5C4sing1.53Å1.53Å
C5O1sing1.43Å1.42Å
C4C3sing1.53Å1.53Å
O1C1sing1.43Å1.42Å
C3N1sing1.46Å1.48Å
C3C2sing1.53Å1.54Å
C1C2sing1.53Å1.56Å
O3C8doub1.22Å1.25Å
N1C8sing1.35Å1.38Å
N1C7sing1.37Å1.45Å
C8C11sing1.41Å1.49Å
C2O2sing1.43Å1.43Å
C7C6doub1.35Å1.35Å
C13N2sing1.46Å1.47Å
C13C14sing1.53Å1.53Å
C11N2sing1.37Å1.35ÅAromatic
C11C10doub1.40Å1.35ÅAromatic
O2C9sing1.43Å1.43Å
N2N3sing1.40Å1.36ÅAromatic
C6C10sing1.46Å1.41Å
C10C12sing1.46Å1.45ÅAromatic
N3C12doub1.32Å1.36ÅAromatic
C12C18sing1.48Å1.48Å
C18C19doub1.39Å1.41ÅAromatic
C18C17sing1.40Å1.41ÅAromatic
C19N4sing1.32Å1.36ÅAromatic
C17C16doub1.38Å1.41ÅAromatic
N4C15doub1.32Å1.34ÅAromatic
C16C15sing1.40Å1.39ÅAromatic
C16O4sing1.36Å1.37Å
C15N5sing1.39Å1.38Å
O4C20sing1.43Å1.33Å
F3C20sing1.40Å1.35Å
C20F1sing1.40Å1.34Å
C20F2sing1.40Å1.35Å
C4H4_2sing1.09Å1.10Å
C4H4_1sing1.09Å1.10Å
C5H5_2sing1.09Å1.10Å
C5H5_1sing1.09Å1.10Å
C6HC6sing1.08Å1.08Å
C7HC7sing1.08Å1.08Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C17HC17sing1.08Å1.08Å
C1H1_1sing1.09Å1.10Å
C1H1_2sing1.09Å1.10Å
C2HC2sing1.09Å1.10Å
C3HC3sing1.09Å1.10Å
C9H9_1sing1.09Å1.10Å
C9H9_3sing1.09Å1.10Å
C9H9_2sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H143sing1.09Å1.10Å
C19HC19sing1.08Å1.08Å
N5H1sing0.97Å1.00Å
N5H2sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4C5O1108.3°109.4°
C5C4C3109.5°109.2°
C5C4H4_2109.5°109.6°
C5C4H4_1109.5°109.5°
C4C5H5_2109.8°109.4°
C4C5H5_1109.8°109.4°
C5O1C1115.7°114.1°
O1C5H5_2109.8°109.5°
O1C5H5_1109.8°109.5°
C4C3N1113.9°109.6°
C4C3C2112.2°109.0°
C3C4H4_2109.4°109.5°
C3C4H4_1109.5°109.5°
C4C3HC3106.2°109.5°
O1C1C2111.0°109.4°
O1C1H1_1109.1°109.5°
O1C1H1_2109.1°109.5°
N1C3C2111.1°109.6°
C3N1C8120.0°118.9°
C3N1C7118.9°118.9°
N1C3HC3106.7°109.5°
C3C2C1106.7°109.2°
C3C2O2110.3°109.5°
C3C2HC2109.5°109.5°
C2C3HC3106.2°109.6°
C1C2O2110.0°109.5°
C2C1H1_1109.1°109.4°
C2C1H1_2109.1°109.5°
C1C2HC2109.2°109.5°
O3C8N1123.2°119.8°
O3C8C11121.7°119.9°
C8N1C7121.1°122.2°
N1C8C11115.1°120.2°
N1C7C6121.9°121.2°
N1C7HC7119.0°119.4°
C8C11N2127.6°134.3°
C8C11C10121.5°118.7°
C2O2C9114.1°114.0°
O2C2HC2111.0°109.5°
C7C6C10117.9°118.9°
C7C6HC6121.0°120.5°
C6C7HC7119.0°119.4°
N2C13C14108.6°109.5°
C13N2C11130.5°125.4°
C13N2N3119.1°125.4°
N2C13H131109.7°109.5°
N2C13H132109.7°109.5°
C14C13H131109.7°109.5°
C14C13H132109.7°109.4°
C13C14H142109.5°109.5°
C13C14H141109.5°109.5°
C13C14H143109.5°109.5°
N2C11C10110.9°107.1°
C11N2N3110.5°109.2°
C11C10C6122.2°118.8°
C11C10C12103.1°106.6°
O2C9H9_1109.5°109.5°
O2C9H9_3109.5°109.5°
O2C9H9_2109.4°109.5°
N2N3C12105.5°109.6°
C6C10C12134.6°134.6°
C10C6HC6121.1°120.5°
C10C12N3110.0°107.5°
C10C12C18132.1°126.3°
N3C12C18118.0°126.2°
C12C18C19122.5°120.4°
C12C18C17119.9°120.5°
C19C18C17117.6°119.1°
C18C19N4123.1°120.8°
C18C19HC19118.4°119.6°
C18C17C16119.0°118.3°
C18C17HC17120.5°120.8°
C19N4C15118.1°121.7°
N4C19HC19118.5°119.6°
C17C16C15118.8°119.1°
C17C16O4121.5°120.4°
C16C17HC17120.5°120.9°
N4C15C16123.4°120.9°
N4C15N5117.5°119.6°
C15C16O4119.7°120.5°
C16C15N5119.1°119.5°
C16O4C20121.0°117.0°
C15N5H1109.5°120.0°
C15N5H2109.4°120.0°
O4C20F3112.6°109.5°
O4C20F1108.5°109.4°
O4C20F2109.8°109.4°
F3C20F1106.6°109.5°
F3C20F2110.8°109.5°
F1C20F2108.4°109.5°
H4_2C4H4_1109.4°109.5°
H5_2C5H5_1109.5°109.5°
H131C13H132109.5°109.5°
H1_1C1H1_2109.5°109.5°
H9_1C9H9_3109.5°109.5°
H9_1C9H9_2109.5°109.4°
H9_3C9H9_2109.5°109.5°
H142C14H141109.5°109.4°
H142C14H143109.4°109.5°
H141C14H143109.5°109.5°
H1N5H2109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4C5O1H5_2119.8°120.0°
C4C5O1H5_1119.8°120.0°
C5C4C3H4_2120.0°120.0°
C5C4C3H4_1120.0°119.9°
C4C5O1C161.1°61.2°
C5C4C3N1176.0°176.8°
C5C4C3C256.8°56.9°
C5C4H4_2H4_1120.0°120.2°
C4C5H5_2H5_1120.6°119.9°
C5C4C3HC358.8°63.0°
O1C5C4C356.4°57.6°
C5O1C1C261.2°61.2°
O1C5C4H4_2176.4°177.5°
O1C5C4H4_163.7°62.3°
O1C5H5_2H5_1120.5°120.1°
C5O1C1H1_1178.6°178.9°
C5O1C1H1_259.1°58.8°
C4C3N1C2127.8°119.6°
C4C3N1HC3116.9°120.1°
C4C3C2HC3115.6°119.9°
C4C3C2C153.9°56.9°
C4C3N1C8128.0°120.0°
C4C3N1C753.8°60.3°
C4C3C2O265.6°63.0°
C3C4H4_2H4_1120.0°120.1°
C3C4C5H5_2176.2°177.6°
C3C4C5H5_163.5°62.5°
C4C3C2HC2171.9°176.9°
O1C1C2C354.0°57.6°
O1C1C2H1_1120.2°120.0°
O1C1C2H1_2120.2°120.1°
O1C1C2O265.7°62.2°
C1O1C5H5_2179.1°178.9°
C1O1C5H5_158.7°58.8°
O1C1H1_1H1_2119.3°120.1°
O1C1C2HC2172.2°177.6°
N1C3C2HC3115.7°120.2°
N1C3C2C1177.4°176.9°
C3N1C8O32.7°0.3°
C3N1C8C7178.2°179.7°
C3N1C8C11177.0°179.7°
N1C3C2O263.1°56.9°
C3N1C7C6179.1°179.7°
N1C3C4H4_256.0°63.2°
N1C3C4H4_164.0°56.9°
C3N1C7HC70.9°0.3°
N1C3C2HC259.4°63.2°
C3C2C1O2119.7°119.9°
C3C2C1HC2118.2°119.9°
C2C3N1C8104.2°120.5°
C2C3N1C774.0°59.3°
C3C2O2HC2121.5°120.1°
C3C2O2C9158.5°150.3°
C2C3C4H4_2176.8°176.9°
C2C3C4H4_163.3°63.0°
C3C2C1H1_1174.2°177.6°
C3C2C1H1_266.3°62.4°
C1C2O2HC2121.0°120.2°
C1C2O2C984.0°90.0°
C2C1H1_1H1_2119.3°120.0°
C1C2C3HC361.7°62.9°
O3C8N1C11179.7°180.0°
O3C8N1C7175.5°180.0°
O3C8C11N23.1°0.0°
O3C8C11C10176.5°180.0°
C8N1C7C62.7°0.0°
N1C8C11N2176.5°180.0°
N1C8C11C103.9°0.0°
C8N1C7HC7177.3°180.0°
C8N1C3HC311.1°0.2°
C7N1C8C114.8°0.0°
N1C7C6HC7180.0°180.0°
N1C7C6C101.0°0.0°
N1C7C6HC6179.0°180.0°
C7N1C3HC3170.7°179.5°
C8C11N2C130.5°0.1°
C8C11N2C10179.7°180.0°
C8C11N2N3179.2°180.0°
C8C11C10C60.4°0.0°
C8C11C10C12179.6°180.0°
O2C2C1H1_154.5°57.7°
O2C2C1H1_2174.0°177.7°
O2C2C3HC3178.7°177.2°
C2O2C9H9_1180.0°60.0°
C2O2C9H9_360.0°60.0°
C2O2C9H9_260.0°180.0°
C7C6C10C112.0°0.0°
C7C6C10HC6180.0°180.0°
C7C6C10C12176.9°180.0°
N2C13C14H131119.9°120.1°
N2C13C14H132119.9°120.0°
C13N2C11N3179.7°180.0°
C13N2C11C10179.2°179.9°
C13N2N3C12179.2°179.9°
N2C13H131H132120.4°120.0°
N2C13C14H142180.0°180.0°
N2C13C14H14160.0°60.0°
N2C13C14H14360.0°60.0°
C14C13N2C11106.0°90.0°
C14C13N2N374.3°90.0°
C14C13H131H132120.4°120.0°
C13C14H142H141120.0°120.0°
C13C14H142H143120.0°120.0°
C13C14H141H143120.0°120.0°
N2C11C10C6179.9°180.0°
N2C11C10C120.7°0.0°
C11N2N3C121.0°0.0°
C11N2C13H13113.9°150.0°
C11N2C13H132134.1°29.9°
C10C11N2N31.1°0.0°
C11C10C6C12178.9°180.0°
C11C10C12N30.1°0.0°
C11C10C12C18179.5°180.0°
C11C10C6HC6177.9°180.0°
C9O2C2HC236.9°30.2°
O2C9H9_1H9_3120.0°120.1°
O2C9H9_1H9_2120.0°120.0°
O2C9H9_3H9_2120.0°120.1°
N2N3C12C100.6°0.0°
N2N3C12C18179.8°180.0°
N3N2C13H131165.8°30.0°
N3N2C13H13245.6°150.0°
C6C10C12N3179.1°180.0°
C6C10C12C180.5°0.0°
C10C6C7HC7179.0°180.0°
C10C12N3C18179.7°180.0°
C10C12C18C192.0°35.0°
C10C12C18C17176.9°144.6°
C12C10C6HC63.2°0.0°
N3C12C18C19178.4°145.0°
N3C12C18C172.6°35.3°
C12C18C19C17179.0°179.6°
C12C18C19N4178.2°180.0°
C12C18C17C16178.5°180.0°
C12C18C17HC171.5°0.1°
C12C18C19HC191.8°0.0°
C18C19N4HC19180.0°180.0°
C19C18C17C160.5°0.3°
C18C19N4C151.1°0.0°
C19C18C17HC17179.6°179.8°
C17C18C19N40.7°0.3°
C18C17C16HC17180.0°179.9°
C18C17C16C150.6°0.1°
C18C17C16O4176.9°180.0°
C17C18C19HC19179.2°179.6°
C19N4C15C161.2°0.3°
C19N4C15N5179.1°180.0°
C17C16C15N41.0°0.2°
C17C16C15O4177.5°179.9°
C17C16C15N5179.3°180.0°
C17C16O4C2056.6°0.1°
N4C15C16N5179.7°179.7°
N4C15C16O4176.5°179.7°
C15N4C19HC19178.9°180.0°
N4C15N5H10.0°179.7°
N4C15N5H2120.0°0.3°
C15C16O4C20126.0°180.0°
C15C16C17HC17179.5°180.0°
C16C15N5H1179.7°0.0°
C16C15N5H260.3°180.0°
O4C16C15N53.2°0.0°
C16O4C20F370.3°60.0°
C16O4C20F1171.9°60.0°
C16O4C20F253.6°180.0°
O4C16C17HC173.1°0.1°
C15N5H1H2120.0°180.0°
O4C20F3F1118.9°119.9°
O4C20F3F2123.4°120.0°
O4C20F1F2119.2°120.0°
F3C20F1F2119.3°120.1°
H4_2C4C5H5_263.8°62.5°
H4_2C4C5H5_156.6°57.5°
H4_2C4C3HC361.2°57.0°
H4_1C4C5H5_256.2°57.7°
H4_1C4C5H5_1176.5°177.7°
H4_1C4C3HC3178.8°177.1°
HC6C6C7HC71.0°0.0°
H131C13C14H14260.1°60.0°
H131C13C14H141179.9°179.9°
H131C13C14H14359.9°60.0°
H132C13C14H14260.1°60.0°
H132C13C14H14159.9°60.0°
H132C13C14H143179.9°180.0°
H1_1C1C2HC267.6°62.4°
H1_2C1C2HC252.0°57.5°
HC2C2C3HC356.3°57.0°
H9_1C9H9_3H9_2120.0°119.9°
H142C14H141H143120.0°119.9°

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