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VEU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1doub1.22Å1.23Å
C1C2sing1.47Å1.50Å
C2C3sing1.47Å1.42ÅAromatic
C3O2sing1.35Å1.36Å
O2C4sing1.43Å1.45Å
C4C5sing1.53Å1.51Å
C4C6sing1.53Å1.51Å
C3N1doub1.32Å1.30ÅAromatic
N1C7sing1.34Å1.35ÅAromatic
C7N2sing1.37Å1.40ÅAromatic
N2C8sing1.36Å1.38ÅAromatic
C7N3doub1.33Å1.33ÅAromatic
N3C9sing1.34Å1.36ÅAromatic
C9C10sing1.51Å1.48Å
C10C11sing1.55Å1.56Å
C11C12sing1.55Å1.55Å
C12C13sing1.53Å1.50Å
C12O3sing1.46Å1.42Å
O3C14sing1.46Å1.42Å
C10C15sing1.56Å1.55Å
C9C16doub1.35Å1.36ÅAromatic
C1N4sing1.35Å1.35Å
N4C17sing1.40Å1.41Å
C17C18sing1.41Å1.39Å
C18O4doub1.22Å1.24Å
C18N5sing1.35Å1.39Å
N5C19sing1.47Å1.46Å
C19C20sing1.53Å1.50Å
C20C21sing1.53Å1.50Å
N5C22sing1.36Å1.37Å
C22C23doub1.35Å1.35Å
C17C24doub1.37Å1.40Å
C2C8doub1.37Å1.38ÅAromatic
N2C16sing1.37Å1.38ÅAromatic
C10C14sing1.57Å1.53Å
C12C15sing1.56Å1.55Å
C19C21sing1.53Å1.49Å
C23C24sing1.40Å1.39Å
C4H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H7sing1.09Å1.10Å
C8H8sing1.08Å1.08Å
C13H11sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C20H22sing1.09Å1.10Å
C20H21sing1.09Å1.10Å
C21H24sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
C22H25sing1.08Å1.08Å
C24H27sing1.08Å1.08Å
C11H10sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C16H18sing1.08Å1.08Å
C19H20sing1.09Å1.10Å
C23H26sing1.08Å1.08Å
N4H19sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1C2120.5°120.0°
O1C1N4123.6°120.0°
C1C2C3125.1°120.8°
C2C1N4115.7°120.0°
C1C2C8116.0°120.8°
C2C3O2117.9°120.4°
C2C3N1123.2°119.4°
C3C2C8118.9°118.4°
C3O2C4117.0°117.1°
O2C3N1118.9°120.3°
O2C4C5107.7°109.5°
O2C4C6107.3°109.5°
O2C4H1110.5°109.5°
C5C4C6112.0°109.4°
C5C4H1109.7°109.5°
C4C5H2109.5°109.5°
C4C5H3109.5°109.5°
C4C5H4109.5°109.5°
C6C4H1109.7°109.5°
C4C6H5109.5°109.5°
C4C6H6109.5°109.5°
C4C6H7109.5°109.5°
C3N1C7118.5°121.1°
N1C7N2121.7°121.1°
N1C7N3129.3°131.1°
C7N2C8120.1°120.9°
N2C7N3109.0°107.8°
C7N2C16106.7°107.1°
N2C8C2117.6°119.1°
C8N2C16133.2°132.0°
N2C8H8121.2°120.5°
C7N3C9107.5°109.3°
N3C9C10119.7°125.7°
N3C9C16110.0°108.7°
C9C10C11122.0°121.3°
C9C10C15125.3°120.5°
C10C9C16130.3°125.7°
C9C10C14115.8°119.3°
C10C11C1279.7°81.3°
C11C10C1584.9°81.5°
C11C10C14100.9°101.2°
C10C11H10116.3°114.6°
C10C11H9116.3°114.6°
C11C12C13123.8°119.7°
C11C12O3105.8°104.0°
C11C12C1585.4°81.8°
C12C11H10116.3°114.5°
C12C11H9116.3°114.6°
C13C12O3112.0°117.3°
C13C12C15120.5°118.8°
C12C13H11109.5°109.5°
C12C13H13109.4°109.5°
C12C13H12109.5°109.5°
C12O3C14101.6°101.8°
O3C12C15105.5°109.5°
O3C14C10100.3°99.3°
O3C14H15111.7°111.8°
O3C14H14111.7°111.1°
C15C10C14101.9°105.8°
C10C15C1279.8°80.8°
C10C15H17116.3°114.6°
C10C15H16116.3°114.6°
C9C16N2106.9°107.1°
C9C16H18126.6°126.5°
C1N4C17128.6°120.0°
C1N4H19115.7°119.9°
N4C17C18116.3°120.4°
N4C17C24124.8°120.4°
C17N4H19115.7°120.1°
C17C18O4121.4°120.0°
C17C18N5119.3°119.9°
C18C17C24118.9°119.2°
O4C18N5119.4°120.0°
C18N5C19119.4°119.6°
C18N5C22121.1°120.8°
N5C19C20118.0°117.4°
C19N5C22119.5°119.6°
N5C19C21118.8°117.5°
N5C19H20116.5°115.6°
C19C20C2159.9°60.0°
C20C19C2160.0°60.0°
C19C20H22120.0°117.5°
C19C20H21120.0°117.5°
C20C19H20115.8°117.5°
C20C21C1960.1°60.0°
C21C20H22120.0°117.5°
C21C20H21120.0°117.5°
C20C21H24120.0°117.5°
C20C21H23120.0°117.5°
N5C22C23120.5°120.8°
N5C22H25119.8°119.6°
C22C23C24120.3°120.1°
C23C22H25119.8°119.6°
C22C23H26119.8°120.0°
C17C24C23119.9°119.2°
C17C24H27120.0°120.4°
C2C8H8121.2°120.4°
N2C16H18126.5°126.4°
C10C14H15111.7°111.4°
C10C14H14111.7°111.4°
C12C15H17116.3°114.7°
C12C15H16116.3°114.7°
C19C21H24120.0°117.5°
C19C21H23120.0°117.6°
C21C19H20115.8°117.5°
C23C24H27120.0°120.4°
C24C23H26119.9°119.9°
H2C5H3109.4°109.4°
H2C5H4109.4°109.5°
H3C5H4109.5°109.4°
H5C6H6109.5°109.5°
H5C6H7109.4°109.5°
H6C6H7109.5°109.5°
H11C13H13109.5°109.5°
H11C13H12109.5°109.4°
H13C13H12109.4°109.4°
H17C15H16109.4°113.6°
H22C20H21109.4°115.5°
H24C21H23109.5°115.5°
H10C11H9109.5°113.6°
H15C14H14109.5°111.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2N4175.1°180.0°
O1C1C2C3175.9°173.5°
O1C1N4C1714.4°5.7°
O1C1C2C86.1°6.5°
O1C1N4H19165.6°174.4°
C1C2C3C8177.9°180.0°
C1C2C3O22.2°0.0°
C1C2C3N1179.1°180.0°
C1C2C8N2178.6°180.0°
C2C1N4C17160.5°174.4°
C1C2C8H81.4°0.0°
C2C1N4H1919.5°5.6°
C2C3O2N1178.7°180.0°
C2C3O2C4171.2°180.0°
C2C3N1C70.9°0.0°
C3C2C8N20.6°0.0°
C3C2C1N49.0°6.5°
C3C2C8H8179.5°179.9°
C3O2C4C5161.5°150.0°
C3O2C4C677.8°90.0°
O2C3N1C7179.5°180.0°
O2C3C2C8179.9°180.0°
C3O2C4H141.7°30.0°
O2C4C5C6117.7°120.0°
O2C4C5H1120.3°120.0°
O2C4C6H1120.0°120.0°
C4O2C3N110.1°0.0°
O2C4C5H2180.0°180.0°
O2C4C5H360.0°60.0°
O2C4C5H460.0°60.0°
O2C4C6H5180.0°60.0°
O2C4C6H660.0°60.0°
O2C4C6H760.0°180.0°
C5C4C6H1122.0°120.0°
C4C5H2H3120.0°120.0°
C4C5H2H4120.0°120.1°
C4C5H3H4120.0°120.1°
C5C4C6H562.0°60.0°
C5C4C6H6178.0°180.0°
C5C4C6H758.0°60.0°
C6C4C5H262.3°60.0°
C6C4C5H357.7°180.0°
C6C4C5H4177.8°60.0°
C4C6H5H6120.0°120.0°
C4C6H5H7120.0°120.0°
C4C6H6H7120.0°120.0°
C3N1C7N20.1°0.1°
C3N1C7N3179.1°179.9°
N1C3C2C81.2°0.0°
N1C7N2N3179.2°179.9°
N1C7N2C80.7°0.1°
N1C7N3C9179.7°179.9°
N1C7N2C16179.9°179.9°
C7N2C8C16179.2°180.0°
N2C7N3C90.6°0.0°
C7N2C16C90.4°0.0°
C7N2C8C20.3°0.0°
C7N2C8H8179.6°179.9°
C7N2C16H18179.6°180.0°
C8N2C7N3179.9°180.0°
C8N2C16C9179.8°180.0°
N2C8C2H8180.0°180.0°
C8N2C16H180.3°0.0°
C7N3C9C10179.8°179.9°
C7N3C9C160.4°0.0°
N3C7N2C160.7°0.0°
N3C9C10C16179.3°180.0°
N3C9C10C1172.3°15.0°
N3C9C10C1536.0°84.0°
N3C9C16N20.1°0.0°
N3C9C10C14164.4°142.1°
N3C9C16H18180.0°180.0°
C9C10C11C15128.9°120.6°
C9C10C11C14129.9°134.8°
C9C10C11C12168.7°163.0°
C9C10C14O3178.5°178.7°
C9C10C15C14133.9°139.2°
C10C9C16N2179.3°180.0°
C9C10C15C12165.9°163.6°
C9C10C15H1751.5°50.6°
C9C10C15H1679.7°83.4°
C9C10C11H1076.9°83.9°
C9C10C11H954.3°49.9°
C9C10C14H1560.0°63.3°
C9C10C14H1463.0°61.6°
C10C9C16H180.6°0.0°
C10C11C12H10114.4°113.1°
C10C11C12H9114.3°113.1°
C10C11C12C13164.0°161.1°
C10C11C12O364.8°65.6°
C11C10C14O344.8°42.8°
C11C10C15C14100.1°99.4°
C11C10C9C16107.0°165.0°
C11C10C15C1239.8°42.2°
C11C10C15H1774.6°70.8°
C11C10C15H16154.3°155.2°
C10C11H10H9134.4°134.3°
C11C10C14H1573.8°160.8°
C11C10C14H14163.2°74.4°
C11C12C13O3128.6°127.4°
C11C12C13C15106.4°97.2°
C11C12O3C1589.5°86.1°
C11C12O3C1443.7°45.0°
C12C11C10C1461.4°62.2°
C11C12C13H11180.0°59.9°
C11C12C13H1360.0°180.0°
C11C12C13H1260.0°60.0°
C11C12C15H1774.4°70.7°
C11C12C15H16154.4°155.2°
C12C11H10H9134.4°134.2°
C13C12O3C15132.9°139.3°
C13C12O3C14178.7°179.6°
C13C12C15C10167.0°161.7°
C12C13H11H13120.0°120.1°
C12C13H11H12120.0°120.0°
C12C13H13H12120.0°120.0°
C13C12C15H1752.6°48.7°
C13C12C15H1678.6°85.3°
C13C12C11H1081.7°85.8°
C13C12C11H949.6°48.0°
O3C12C15C1065.1°59.7°
C12O3C14C101.3°0.8°
O3C12C13H1151.4°172.7°
O3C12C13H1368.6°52.6°
O3C12C13H12171.4°67.3°
O3C12C15H17179.5°172.7°
O3C12C15H1649.3°53.2°
O3C12C11H1049.5°47.5°
O3C12C11H9179.2°178.8°
C12O3C14H15117.2°116.9°
C12O3C14H14119.8°118.2°
O3C14C10C1542.3°41.5°
O3C14C10H15118.5°118.0°
O3C14C10H14118.5°117.2°
C14O3C12C1545.8°41.1°
O3C14H15H14124.3°124.9°
C15C10C9C16144.7°96.0°
C10C15C12H17114.4°113.0°
C10C15C12H16114.4°112.9°
C10C15H17H16134.3°134.4°
C15C10C11H10154.2°155.4°
C15C10C11H974.6°70.8°
C15C10C14H15160.8°76.5°
C15C10C14H1476.2°158.6°
C9C16N2H18180.0°180.0°
C16C9C10C1416.3°37.9°
C1N4C17H19180.0°179.9°
C1N4C17C18174.6°172.4°
C1N4C17C244.6°7.4°
N4C1C2C8168.9°173.5°
N4C17C18C24179.3°179.8°
N4C17C18O40.4°0.2°
N4C17C18N5179.6°179.7°
N4C17C24C23179.8°179.7°
N4C17C24H270.3°0.2°
C17C18O4N5179.3°179.9°
C17C18N5C19179.7°180.0°
C17C18N5C220.9°0.0°
C18C17C24C230.5°0.1°
C18C17C24H27179.5°180.0°
C18C17N4H195.4°7.5°
O4C18N5C190.4°0.0°
O4C18N5C22179.8°180.0°
O4C18C17C24179.6°180.0°
C18N5C19C22179.4°180.0°
C18N5C19C20142.8°120.0°
C18N5C22C230.1°0.0°
N5C18C17C241.1°0.1°
C18N5C19C2173.5°171.4°
C18N5C22H25179.9°180.0°
C18N5C19H2072.5°25.6°
N5C19C20C21108.8°107.5°
N5C19C20H20145.0°145.0°
C19N5C22C23179.6°180.0°
N5C19C21H20146.2°145.1°
N5C19C20H22141.8°0.0°
N5C19C20H210.7°145.0°
N5C19C21H24142.9°145.1°
N5C19C21H231.9°0.0°
C19N5C22H250.4°0.0°
C19C20C21H22109.5°107.5°
C19C20C21H21109.5°107.5°
C20C19N5C2237.8°60.0°
C20C19C21H20106.2°107.5°
C19C20H22H21144.8°145.7°
C20C19C21H24109.5°107.5°
C20C19C21H23109.5°107.4°
C21C20H22H21144.7°145.6°
C20C21H24H23144.7°145.6°
N5C22C23H25180.0°180.0°
C22N5C19C21107.1°8.6°
N5C22C23C240.4°0.0°
C22N5C19H20106.9°154.4°
N5C22C23H26179.6°180.0°
C22C23C24C170.2°0.1°
C22C23C24H26180.0°180.0°
C22C23C24H27179.8°180.0°
C17C24C23H27180.0°179.9°
C17C24C23H26179.8°180.0°
C24C17N4H19175.4°172.7°
C2C8N2C16179.6°180.0°
C16N2C8H80.4°0.1°
C14C10C15C1260.3°57.2°
C14C10C15H17174.7°170.2°
C14C10C15H1654.2°55.9°
C14C10C11H1053.0°50.9°
C14C10C11H9175.7°175.3°
C10C14H15H14124.3°125.0°
C15C12C13H1173.6°37.3°
C15C12C13H13166.4°82.8°
C15C12C13H1246.4°157.3°
C12C15H17H16134.3°134.6°
C15C12C11H10154.3°155.6°
C15C12C11H974.4°70.6°
C19C21H24H23144.7°145.7°
C24C23C22H25179.6°180.0°
H1C4C5H259.7°60.0°
H1C4C5H3179.7°60.0°
H1C4C5H460.2°180.0°
H1C4C6H560.0°180.0°
H1C4C6H660.0°60.0°
H1C4C6H7180.0°60.0°
H2C5H3H4120.0°119.9°
H5C6H6H7120.0°120.0°
H11C13H13H12120.0°119.9°
H22C20C21H240.0°145.0°
H22C20C21H23141.0°0.1°
H22C20C19H203.2°145.0°
H21C20C21H24141.0°0.0°
H21C20C21H230.0°144.9°
H21C20C19H20144.3°0.1°
H24C21C19H203.3°0.0°
H23C21C19H20144.3°145.1°
H25C22C23H260.4°0.0°
H27C24C23H260.3°0.1°

226262

PDB entries from 2024-10-16

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