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VEE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O13C2sing1.43Å1.43Å
C1C2sing1.53Å1.54Å
C1C6sing1.53Å1.53Å
C17C16sing1.53Å1.52Å
C17C18sing1.53Å1.47Å
C15C16sing1.53Å1.54Å
C15C14sing1.53Å1.50Å
C2C3sing1.53Å1.52Å
C14N7sing1.47Å1.49Å
C19C18sing1.53Å1.52Å
C19C20sing1.53Å1.53Å
N7C6sing1.47Å1.50Å
C6C5sing1.53Å1.59Å
O12C3sing1.43Å1.41Å
C20C21sing1.53Å1.53Å
C3C4sing1.53Å1.54Å
C5C4sing1.53Å1.52Å
C5C8sing1.53Å1.52Å
C4O11sing1.43Å1.42Å
C8O9sing1.43Å1.39Å
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C8H24sing1.09Å1.10Å
C8H29sing1.09Å1.10Å
C14H7sing1.09Å1.10Å
C14H8sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C15H9sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C16H12sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C17H14sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H19sing1.09Å1.10Å
N7H23sing1.01Å1.00Å
O9H25sing0.97Å0.95Å
O11H26sing0.97Å0.95Å
O12H27sing0.97Å0.95Å
O13H28sing0.97Å0.95Å
C21N1sing1.46Å31.97Å
N1N2doub1.12Å0.00Å
N2N3doub1.12Å0.00Å
C21H21sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C1H31sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O13C2C1110.6°109.5°
O13C2C3107.6°109.5°
O13C2H2109.8°109.5°
C2O13H28109.5°114.0°
C2C1C6112.5°109.4°
C1C2C3112.0°109.5°
C2C1H1108.7°109.5°
C1C2H2108.3°109.5°
C2C1H31108.7°109.5°
C1C6N7111.0°109.5°
C1C6C5109.6°109.5°
C6C1H1108.7°109.4°
C1C6H6106.9°109.5°
C6C1H31108.7°109.5°
C16C17C18116.8°109.4°
C17C16C15114.3°109.5°
C17C16H11108.3°109.5°
C17C16H12108.3°109.4°
C16C17H13107.6°109.5°
C16C17H14107.7°109.5°
C17C18C19114.1°109.4°
C18C17H13107.6°109.5°
C18C17H14107.6°109.5°
C17C18H16108.3°109.5°
C17C18H15108.3°109.5°
C16C15C14113.4°109.5°
C16C15H10108.5°109.5°
C16C15H9108.5°109.4°
C15C16H11108.2°109.5°
C15C16H12108.2°109.5°
C15C14N7112.6°109.5°
C15C14H7108.7°109.4°
C15C14H8108.7°109.4°
C14C15H10108.5°109.4°
C14C15H9108.5°109.5°
C2C3O12106.5°109.4°
C2C3C4111.8°109.5°
C3C2H2108.5°109.5°
C2C3H3108.4°109.5°
C14N7C6112.4°111.0°
N7C14H7108.6°109.6°
N7C14H8108.7°109.4°
C14N7H23108.8°111.1°
C18C19C20116.7°109.5°
C19C18H16108.3°109.5°
C19C18H15108.3°109.4°
C18C19H18107.6°109.5°
C18C19H17107.6°109.4°
C19C20C21113.5°109.5°
C20C19H18107.7°109.5°
C20C19H17107.6°109.5°
C19C20H20108.5°109.5°
C19C20H19108.5°109.5°
N7C6C5115.3°109.5°
N7C6H6107.3°109.4°
C6N7H23108.7°111.0°
C6C5C4110.4°109.5°
C6C5C8116.3°109.5°
C6C5H5104.5°109.5°
C5C6H6106.3°109.5°
O12C3C4112.2°109.5°
O12C3H3109.8°109.5°
C3O12H27109.5°114.1°
C21C20H20108.5°109.4°
C21C20H19108.5°109.4°
C20C21N173.0°109.5°
C20C21H21117.6°109.4°
C20C21H22117.7°109.4°
C3C4C5112.2°109.5°
C3C4O11107.7°109.5°
C4C3H3108.1°109.5°
C3C4H4109.2°109.5°
C4C5C8113.9°109.5°
C5C4O11107.6°109.5°
C5C4H4109.4°109.4°
C4C5H5105.2°109.5°
C5C8O9113.6°109.5°
C8C5H5105.2°109.5°
C5C8H24108.5°109.4°
C5C8H29108.5°109.5°
O11C4H4110.8°109.5°
C4O11H26109.5°114.0°
O9C8H24108.4°109.5°
O9C8H29108.4°109.5°
C8O9H25109.5°114.0°
H1C1H31109.5°109.4°
H24C8H29109.4°109.4°
H7C14H8109.5°109.5°
H10C15H9109.5°109.5°
H11C16H12109.5°109.4°
H13C17H14109.5°109.5°
H16C18H15109.4°109.4°
H18C19H17109.5°109.4°
H20C20H19109.4°109.4°
C21N1N290.0°120.0°
N1C21H21117.7°109.5°
N1C21H22117.7°109.5°
N1N2N390.0°180.0°
H21C21H22109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O13C2C1C3120.1°120.0°
O13C2C1H2120.3°120.0°
O13C2C1C6155.0°60.0°
O13C2C3H2118.7°120.0°
O13C2C3O1261.0°60.1°
O13C2C3C4176.1°60.0°
O13C2C1H134.5°60.0°
O13C2C3H357.1°180.0°
O13C2C1H3184.6°180.0°
C2C1C6H1120.5°120.0°
C2C1C6H31120.4°120.1°
C1C2C3H2119.5°120.0°
C2C1C6N7102.9°60.0°
C2C1C6C525.6°60.0°
C1C2C3O1260.8°179.9°
C1C2C3C462.1°60.0°
C2C1H1H31118.6°120.1°
C1C2C3H3178.9°60.0°
C2C1C6H6140.4°180.0°
C1C2O13H28180.0°180.0°
C6C1C2C334.9°60.0°
C1C6N7C14137.0°142.3°
C1C6N7C5125.3°120.0°
C1C6N7H6116.5°120.0°
C1C6C5H6115.2°120.0°
C1C6C5C465.0°60.0°
C1C6C5C8163.2°180.0°
C6C1H1H31118.6°120.0°
C6C1C2H284.7°180.0°
C1C6C5H547.7°60.0°
C1C6N7H2316.5°18.3°
C16C17C18H13121.0°120.0°
C16C17C18H14121.1°120.0°
C17C16C15H11120.7°120.0°
C17C16C15H12120.7°120.0°
C17C16C15C14178.8°180.0°
C16C17C18C19171.6°180.0°
C17C16C15H1058.2°60.0°
C17C16C15H960.7°60.0°
C17C16H11H12117.8°119.9°
C16C17H13H14116.7°120.0°
C16C17C18H1667.7°60.0°
C16C17C18H1550.9°60.0°
C18C17C16C15140.3°180.0°
C17C18C19H16120.7°120.0°
C17C18C19H15120.7°120.0°
C17C18C19C20107.4°180.0°
C18C17C16H1119.6°60.0°
C18C17C16H1299.0°60.0°
C18C17H13H14116.7°120.0°
C17C18H16H15117.9°120.1°
C17C18C19H1813.7°60.0°
C17C18C19H17131.6°60.0°
C16C15C14H10120.6°120.0°
C16C15C14H9120.6°120.0°
C16C15C14N7171.0°179.9°
C16C15C14H750.6°60.0°
C16C15C14H868.5°60.0°
C16C15H10H9118.2°120.0°
C15C16H11H12117.8°120.0°
C15C16C17H1319.3°60.0°
C15C16C17H1498.6°60.0°
C15C14N7H7120.5°120.0°
C15C14N7H8120.5°119.9°
C15C14N7C6168.6°174.5°
C15C14H7H8118.6°119.9°
C14C15H10H9118.2°120.0°
C14C15C16H1160.5°60.0°
C14C15C16H1258.1°60.0°
C15C14N7H2348.1°61.5°
C2C3O12C4122.6°120.0°
C2C3O12H3117.1°120.0°
C2C3C4H3119.2°120.0°
C2C3C4C522.1°60.0°
C2C3C4O1196.1°180.0°
C3C2C1H185.6°180.0°
C2C3C4H4143.5°60.0°
C2C3O12H27180.0°60.0°
C3C2O13H2857.3°60.0°
C3C2C1H31155.3°60.0°
C14N7C6H23120.5°124.0°
C14N7C6C597.7°97.7°
C14N7C6H620.5°22.4°
N7C14H7H8118.6°120.0°
N7C14C15H1068.4°60.0°
N7C14C15H950.4°60.0°
C18C19C20H18121.0°120.0°
C18C19C20H17121.0°120.0°
C18C19C20C21131.1°180.0°
C19C18C17H1350.6°60.0°
C19C18C17H1467.3°60.0°
C19C18H16H15117.9°119.9°
C18C19H18H17116.7°119.9°
C18C19C20H2010.4°60.0°
C18C19C20H19108.3°60.0°
C19C20C21H20120.6°120.0°
C19C20C21H19120.6°120.1°
C20C19C18H16131.9°60.0°
C20C19C18H1513.3°60.0°
C20C19H18H17116.7°120.0°
C19C20H20H19118.1°120.0°
C19C20C21N1128.8°180.0°
C19C20C21H2116.0°60.0°
C19C20C21H22118.4°59.9°
N7C6C5H6118.8°120.0°
N7C6C5C461.0°60.0°
N7C6C5C870.8°60.0°
N7C6C1H117.6°60.0°
N7C6C5H5173.7°180.0°
C6N7C14H771.0°54.5°
C6N7C14H848.1°65.6°
N7C6C1H31136.7°179.9°
C6C5C4C338.8°60.0°
C6C5C4C8133.0°120.0°
C6C5C4H5112.3°120.0°
C6C5C8H5115.1°120.0°
C6C5C4O11157.0°180.0°
C6C5C8O970.9°173.9°
C5C6C1H1146.1°180.0°
C6C5C4H482.5°60.0°
C6C5C8H2449.7°66.0°
C6C5C8H29168.5°53.9°
C5C6N7H23141.8°138.3°
C5C6C1H3194.8°60.0°
O12C3C4H3121.2°120.0°
O12C3C4C597.5°180.0°
O12C3C4O11144.3°60.0°
O12C3C2H2179.7°60.0°
O12C3C4H423.9°60.0°
C21C20C19H18107.9°60.0°
C21C20C19H1710.0°60.0°
C21C20H20H19118.2°119.9°
C20C21N1H21112.8°120.0°
C20C21N1H22112.8°120.0°
C20C21N1N290.0°120.0°
C20C21H21H22137.8°119.9°
C3C4C5O11118.2°120.0°
C3C4C5H4121.3°120.0°
C3C4C5C8171.8°180.0°
C3C4O11H4119.3°120.0°
C4C3C2H257.4°180.0°
C3C4C5H573.5°60.0°
C3C4O11H26180.0°60.0°
C4C3O12H2757.4°180.0°
C4C5C8H5114.7°120.0°
C5C4O11H4119.6°120.0°
C4C5C8O959.2°66.1°
C5C4C3H3141.2°60.0°
C4C5C6H6179.8°180.0°
C4C5C8H24179.8°54.0°
C4C5C8H2961.4°173.9°
C5C4O11H2658.9°180.0°
C8C5C4O1170.0°60.0°
C5C8O9H24120.6°120.0°
C5C8O9H29120.6°120.0°
C8C5C4H450.5°60.0°
C8C5C6H648.0°60.0°
C5C8H24H29118.2°119.9°
C5C8O9H25180.0°180.0°
O11C4C3H323.1°60.0°
O11C4C5H544.7°60.0°
O9C8C5H5174.0°53.9°
O9C8H24H29118.1°120.0°
H1C1C2H2154.8°60.0°
H1C1C6H699.1°60.0°
H2C2C3H361.6°60.0°
H2C2O13H2860.6°60.0°
H2C2C1H3135.7°60.0°
H3C3C4H497.3°180.0°
H3C3O12H2762.8°59.9°
H4C4C5H5165.2°180.0°
H4C4O11H2660.7°60.0°
H5C5C6H667.5°60.0°
H5C5C8H2465.4°174.0°
H5C5C8H2953.3°66.1°
H6C6N7H2399.9°101.7°
H6C6C1H3120.0°60.0°
H24C8O9H2559.4°60.0°
H29C8O9H2559.4°59.9°
H7C14C15H10171.2°60.1°
H7C14C15H970.0°180.0°
H7C14N7H23168.6°178.4°
H8C14C15H1052.1°180.0°
H8C14C15H9170.9°60.0°
H8C14N7H2372.3°58.4°
H10C15C16H11178.9°180.0°
H10C15C16H1262.5°60.0°
H9C15C16H1160.1°60.0°
H9C15C16H12178.6°180.0°
H11C16C17H13101.4°180.0°
H11C16C17H14140.7°60.0°
H12C16C17H13140.0°60.0°
H12C16C17H1422.1°180.0°
H13C17C18H16171.3°180.0°
H13C17C18H1570.1°59.9°
H14C17C18H1653.4°60.0°
H14C17C18H15172.0°180.0°
H16C18C19H18107.0°180.0°
H16C18C19H1710.9°60.0°
H15C18C19H18134.4°60.0°
H15C18C19H17107.7°180.0°
H18C19C20H20131.5°180.0°
H18C19C20H1912.7°60.0°
H17C19C20H20110.6°60.0°
H17C19C20H19130.6°180.0°
H20C20C21N1110.6°60.0°
H20C20C21H21136.6°180.0°
H20C20C21H222.2°60.1°
H19C20C21N18.2°60.0°
H19C20C21H21104.6°60.1°
H19C20C21H22121.0°180.0°
C21N1N2N390.0°32.0°
N1C21H21H22137.8°120.0°
N2N1C21H2190.0°0.0°
N2N1C21H2290.0°120.0°

223532

PDB entries from 2024-08-07

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