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QVV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O01C01doub1.22Å1.40Å
O02C02sing1.36Å1.40Å
C01C02sing1.47Å1.47Å
C01N01sing1.35Å1.36Å
C02C03doub1.38Å1.41Å
N01C07sing1.36Å1.42Å
C16C15sing1.53Å1.53Å
O03C04doub1.21Å1.18Å
C03C04sing1.48Å1.52Å
C03N03sing1.35Å1.40Å
C07N03doub1.30Å1.38Å
C07C15sing1.51Å1.52Å
C04N02sing1.35Å1.44Å
C15C17sing1.53Å1.53Å
C15N04sing1.47Å1.45Å
N02C05sing1.46Å1.45Å
C05C06sing1.53Å1.53Å
C06N05sing1.46Å1.46Å
N05C18sing1.36Å1.33ÅAromatic
N05C19sing1.37Å1.35ÅAromatic
C18N06doub1.30Å1.35ÅAromatic
C19N07doub1.33Å1.33ÅAromatic
C19C20sing1.41Å1.42ÅAromatic
N06C20sing1.35Å1.46ÅAromatic
N07C22sing1.32Å1.35ÅAromatic
C20C21doub1.40Å1.36ÅAromatic
C22N09doub1.32Å1.35ÅAromatic
C21N09sing1.33Å1.31ÅAromatic
C21N08sing1.38Å1.45Å
C17H1sing1.09Å1.10Å
C17H2sing1.09Å1.10Å
C17H3sing1.09Å1.10Å
C16H4sing1.09Å1.10Å
C16H5sing1.09Å1.10Å
C16H6sing1.09Å1.10Å
C22H7sing1.08Å1.08Å
C05H8sing1.09Å1.10Å
C05H9sing1.09Å1.10Å
C06H10sing1.09Å1.10Å
C06H11sing1.09Å1.10Å
C18H12sing1.08Å1.08Å
N01H13sing0.97Å1.00Å
N02H14sing0.97Å1.00Å
N04H15sing0.97Å1.00Å
N08H18sing0.97Å1.00Å
N08H19sing0.97Å1.00Å
O02H20sing0.97Å0.95Å
N04C1sing1.35Å43.22Å
C1O1sing1.35Å0.00Å
O1C3sing1.45Å0.00Å
C3C4sing1.51Å0.00Å
C1O2doub1.22Å0.00Å
C4C2sing1.38Å0.00ÅAromatic
C2C5doub1.38Å0.00ÅAromatic
C5C6sing1.38Å0.00ÅAromatic
C6C7doub1.38Å0.00ÅAromatic
C7C8sing1.38Å0.00ÅAromatic
C8C4doub1.38Å0.00ÅAromatic
C3H16sing1.09Å0.00Å
C3H17sing1.09Å0.00Å
C2H21sing1.08Å0.00Å
C5H22sing1.08Å0.00Å
C6H23sing1.08Å0.00Å
C7H24sing1.08Å0.00Å
C8H25sing1.08Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O01C01C02120.9°121.0°
O01C01N01119.7°121.0°
O02C02C01120.1°121.1°
O02C02C03120.5°121.1°
C02O02H20109.5°114.0°
C02C01N01119.4°117.9°
C01C02C03119.4°117.8°
C01N01C07119.4°120.1°
C01N01H13120.3°119.9°
C02C03C04121.3°120.3°
C02C03N03120.1°119.4°
N01C07N03122.8°122.5°
N01C07C15118.1°118.7°
C07N01H13120.3°120.0°
C16C15C07108.7°109.5°
C16C15C17110.9°109.5°
C16C15N04110.5°109.5°
C15C16H4109.5°109.4°
C15C16H5109.5°109.5°
C15C16H6109.5°109.5°
O03C04C03121.8°120.0°
O03C04N02119.2°120.0°
C04C03N03118.6°120.3°
C03C04N02119.0°120.0°
C03N03C07118.9°122.2°
N03C07C15119.0°118.7°
C07C15C17107.4°109.4°
C07C15N04109.9°109.5°
C04N02C05118.0°120.0°
C04N02H14121.0°120.0°
C17C15N04109.4°109.5°
C15C17H1109.5°109.4°
C15C17H2109.5°109.5°
C15C17H3109.5°109.5°
C15N04H15133.6°120.0°
C15N04C192.8°120.0°
N02C05C06114.7°109.5°
N02C05H8108.2°109.5°
N02C05H9108.1°109.5°
C05N02H14121.0°120.0°
C05C06N05119.4°109.5°
C06C05H8108.1°109.4°
C06C05H9108.1°109.4°
C05C06H10106.9°109.5°
C05C06H11106.9°109.4°
C06N05C18117.5°126.3°
C06N05C19129.1°126.2°
N05C06H10106.9°109.5°
N05C06H11106.9°109.5°
C18N05C19113.4°107.5°
N05C18N06111.3°110.0°
N05C18H12124.3°125.1°
N05C19N07132.8°135.0°
N05C19C20102.7°106.0°
C18N06C20102.8°109.4°
N06C18H12124.4°124.9°
N07C19C20124.6°119.1°
C19N07C22111.6°120.7°
C19C20N06109.8°107.2°
C19C20C21117.3°118.2°
N06C20C21132.9°134.7°
N07C22N09128.1°122.5°
N07C22H7115.9°118.8°
C20C21N09120.4°118.5°
C20C21N08119.8°120.8°
C22N09C21117.9°121.1°
N09C22H7115.9°118.7°
N09C21N08119.8°120.7°
C21N08H18109.5°120.0°
C21N08H19109.5°120.0°
H1C17H2109.5°109.5°
H1C17H3109.5°109.4°
H2C17H3109.5°109.5°
H4C16H5109.4°109.5°
H4C16H6109.5°109.5°
H5C16H6109.5°109.5°
H8C05H9109.5°109.5°
H10C06H11109.5°109.5°
H15N04C1133.6°120.0°
H18N08H19109.5°120.0°
N04C1O190.0°120.0°
N04C1O290.0°120.0°
C1O1C390.0°117.0°
O1C1O290.0°120.0°
O1C3C490.0°109.4°
O1C3H1690.0°109.5°
O1C3H1790.0°109.4°
C3C4C290.0°120.0°
C3C4C890.0°120.0°
C4C3H1690.0°109.5°
C4C3H1790.0°109.5°
C4C2C590.0°120.0°
C2C4C890.0°120.0°
C4C2H2190.0°120.0°
C2C5C690.0°120.0°
C5C2H2190.0°120.0°
C2C5H2290.0°120.0°
C5C6C790.0°119.9°
C6C5H2290.0°120.0°
C5C6H2390.0°120.0°
C6C7C890.0°120.0°
C7C6H2390.0°120.1°
C6C7H2490.0°119.9°
C7C8C490.0°120.0°
C8C7H2490.0°120.0°
C7C8H2590.0°120.0°
C4C8H2590.0°120.0°
H16C3H1790.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O01C01C02O020.6°0.3°
O01C01C02N01179.4°179.7°
O01C01C02C03179.3°179.7°
O01C01N01C07179.5°179.8°
O01C01N01H130.5°0.3°
O02C02C01C03180.0°180.0°
O02C02C01N01180.0°180.0°
O02C02C03C040.2°0.0°
O02C02C03N03179.8°180.0°
C02C01N01C070.1°0.1°
C01C02C03C04179.8°180.0°
C01C02C03N030.2°0.0°
C02C01N01H13179.9°180.0°
C01C02O02H20179.9°0.0°
N01C01C02C030.0°0.0°
C01N01C07H13180.0°179.9°
C01N01C07N030.1°0.1°
C01N01C07C15179.7°180.0°
C02C03C04O030.1°0.0°
C02C03C04N03179.6°180.0°
C02C03N03C070.3°0.1°
C02C03C04N02179.4°180.0°
C03C02O02H200.2°180.0°
N01C07C15C1660.9°174.9°
N01C07N03C030.1°0.1°
N01C07N03C15179.6°179.9°
N01C07C15C1759.1°65.1°
N01C07C15N04178.1°54.9°
C16C15C07N03119.5°5.0°
C16C15C07C17120.0°120.0°
C16C15C07N04121.1°120.0°
C16C15C17N04122.1°120.0°
C16C15C17H1180.0°60.0°
C16C15C17H260.0°180.0°
C16C15C17H360.0°60.0°
C15C16H4H5120.0°120.0°
C15C16H4H6120.0°120.0°
C15C16H5H6120.0°120.0°
C16C15N04H15113.1°120.0°
C16C15N04C166.9°60.0°
O03C04C03N02179.5°180.0°
O03C04C03N03179.7°180.0°
O03C04N02C051.4°0.0°
O03C04N02H14178.6°179.9°
C04C03N03C07179.9°180.0°
C03C04N02C05179.1°180.0°
C03C04N02H140.9°0.0°
C03N03C07C15179.5°180.0°
N03C03C04N020.2°0.0°
N03C07C15C17120.5°115.1°
N03C07C15N041.6°125.0°
N03C07N01H13179.9°180.0°
C07C15C17N04119.3°120.0°
C07C15C17H161.4°180.0°
C07C15C17H2178.6°60.0°
C07C15C17H358.7°60.0°
C07C15C16H4180.0°59.9°
C07C15C16H560.0°60.0°
C07C15C16H660.0°180.0°
C15C07N01H130.3°0.1°
C07C15N04H156.9°0.1°
C07C15N04C1173.1°180.0°
C04N02C05H14180.0°179.9°
C04N02C05C06139.6°180.0°
C04N02C05H899.6°60.0°
C04N02C05H918.9°60.0°
C15C17H1H2120.0°120.0°
C15C17H1H3120.0°120.0°
C15C17H2H3120.0°120.0°
C17C15C16H462.2°60.0°
C17C15C16H5177.8°180.0°
C17C15C16H657.8°60.0°
C17C15N04H15124.6°120.0°
C17C15N04C155.4°60.1°
N04C15C17H157.9°60.0°
N04C15C17H262.1°60.0°
N04C15C17H3177.9°180.0°
N04C15C16H459.3°180.0°
N04C15C16H560.7°60.0°
N04C15C16H6179.3°60.0°
C15N04H15C1180.0°179.9°
C15N04C1O190.0°180.0°
C15N04C1O290.0°0.0°
N02C05C06H8120.8°120.0°
N02C05C06H9120.8°120.0°
N02C05C06N0540.8°180.0°
N02C05H8H9117.6°120.1°
N02C05C06H10162.2°60.0°
N02C05C06H1180.6°60.0°
C05C06N05H10121.4°120.0°
C05C06N05H11121.4°120.0°
C05C06N05C18165.7°94.9°
C05C06N05C1914.9°85.0°
C06C05H8H9117.6°119.9°
C05C06H10H11115.5°119.9°
C06C05N02H1440.4°0.1°
C06N05C18C19179.5°180.0°
C06N05C18N06179.8°180.0°
C06N05C19N070.2°0.0°
C06N05C19C20179.7°180.0°
N05C06C05H880.0°60.0°
N05C06C05H9161.6°59.9°
N05C06H10H11115.5°120.0°
C06N05C18H120.2°0.1°
N05C18N06H12180.0°180.0°
C18N05C19N07179.7°180.0°
C18N05C19C200.2°0.0°
N05C18N06C200.1°0.0°
C18N05C06H1072.9°145.0°
C18N05C06H1144.3°25.0°
C19N05C18N060.3°0.0°
N05C19N07C20179.9°179.9°
N05C19C20N060.1°0.0°
N05C19N07C22179.6°180.0°
N05C19C20C21179.7°179.7°
C19N05C06H10106.5°35.0°
C19N05C06H11136.3°155.0°
C19N05C18H12179.7°179.9°
C18N06C20C190.0°0.0°
C18N06C20C21179.8°179.6°
N07C19C20N06179.8°180.0°
N07C19C20C210.4°0.3°
C19N07C22N090.5°0.0°
C19N07C22H7179.5°179.7°
C19C20N06C21179.8°179.6°
C20C19N07C220.5°0.1°
C19C20C21N090.2°0.5°
C19C20C21N08179.9°180.0°
N06C20C21N09180.0°179.9°
N06C20C21N080.1°0.4°
C20N06C18H12179.8°180.0°
N07C22N09H7180.0°179.7°
N07C22N09C210.3°0.3°
C20C21N09C220.2°0.5°
C20C21N09N08179.9°179.5°
C20C21N08H18179.9°0.0°
C20C21N08H1959.9°180.0°
C22N09C21N08179.9°180.0°
C21N09C22H7179.7°180.0°
N09C21N08H180.0°179.5°
N09C21N08H19120.0°0.6°
C21N08H18H19120.0°180.0°
H1C17H2H3120.0°120.0°
H4C16H5H6120.0°120.1°
H8C05C06H1041.4°60.0°
H8C05C06H11158.6°180.0°
H8C05N02H1480.4°120.0°
H9C05C06H1077.0°180.0°
H9C05C06H1140.2°60.0°
H9C05N02H14161.1°119.9°
H15N04C1O190.0°0.0°
H15N04C1O290.0°180.0°
N04C1O1O290.0°180.0°
N04C1O1C390.0°180.0°
C1O1C3C490.0°180.0°
C1O1C3H1690.0°60.0°
C1O1C3H1790.0°60.0°
O1C3C4H1690.0°120.0°
O1C3C4H1790.0°119.9°
C3O1C1O290.0°0.1°
O1C3C4C290.0°90.0°
O1C3C4C890.0°90.2°
O1C3H16H1790.0°120.0°
C3C4C2C890.0°179.7°
C3C4C2C590.0°180.0°
C3C4C8C790.0°179.8°
C4C3H16H1790.0°120.1°
C3C4C2H2190.0°0.1°
C3C4C8H2590.0°0.3°
C4C2C5H2190.0°179.9°
C4C2C5C690.0°0.1°
C2C4C8C790.0°0.5°
C2C4C3H1690.0°29.9°
C2C4C3H1790.0°150.0°
C4C2C5H2290.0°180.0°
C2C4C8H2590.0°180.0°
C2C5C6H2290.0°179.9°
C2C5C6C790.0°0.0°
C5C2C4C890.0°0.3°
C2C5C6H2390.0°180.0°
C5C6C7H2390.0°179.9°
C5C6C7C890.0°0.2°
C6C5C2H2190.0°180.0°
C5C6C7H2490.0°180.0°
C6C7C8H2490.0°179.8°
C6C7C8C490.0°0.5°
C7C6C5H2290.0°180.0°
C6C7C8H2590.0°180.0°
C7C8C4H2590.0°179.5°
C8C7C6H2390.0°179.8°
C8C4C3H1690.0°149.8°
C8C4C3H1790.0°29.7°
C8C4C2H2190.0°179.8°
C4C8C7H2490.0°179.8°
H21C2C5H2290.0°0.1°
H22C5C6H2390.0°0.1°
H23C6C7H2490.0°0.1°
H24C7C8H2590.0°0.2°

222415

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