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OOY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C7sing1.43Å1.43Å
O2C8sing1.43Å1.42Å
C7C6sing1.53Å1.52Å
C8C9sing1.53Å1.51Å
C6N2sing1.47Å1.46Å
C9N2sing1.47Å1.47Å
N2C5sing1.40Å1.42Å
C5C10doub1.39Å1.40ÅAromatic
C5C4sing1.39Å1.43ÅAromatic
C10C11sing1.39Å1.41ÅAromatic
C4C3doub1.38Å1.37ÅAromatic
C12N3sing1.47Å1.48Å
C12C13sing1.53Å1.51Å
C11N3sing1.40Å1.40Å
C11C2doub1.39Å1.43ÅAromatic
C3C2sing1.39Å1.40ÅAromatic
N3C15sing1.47Å1.48Å
C2N1sing1.40Å1.43Å
C15C14sing1.53Å1.51Å
C13O3sing1.43Å1.42Å
O3C14sing1.43Å1.42Å
N1C1sing1.35Å1.39Å
C1O1doub1.22Å1.24Å
C1C16sing1.48Å1.51Å
C16C27doub1.39Å1.40ÅAromatic
C16C17sing1.40Å1.39ÅAromatic
C27C20sing1.38Å1.38ÅAromatic
C25C26doub1.38Å1.39ÅAromatic
C25C24sing1.38Å1.38ÅAromatic
C26C21sing1.39Å1.38ÅAromatic
C24C23doub1.38Å1.38ÅAromatic
O4C20sing1.36Å1.39Å
O4C21sing1.36Å1.40Å
C20C19doub1.39Å1.37ÅAromatic
C21C22doub1.39Å1.38ÅAromatic
C17C18doub1.38Å1.38ÅAromatic
C23C22sing1.38Å1.39ÅAromatic
C19C18sing1.38Å1.38ÅAromatic
C4H1sing1.08Å1.08Å
C14H2sing1.09Å1.10Å
C14H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H9sing1.09Å1.10Å
C9H10sing1.09Å1.10Å
C9H11sing1.09Å1.10Å
C10H12sing1.08Å1.08Å
C12H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
N1H17sing0.97Å1.00Å
C3H18sing1.08Å1.08Å
C15H19sing1.09Å1.10Å
C15H20sing1.09Å1.10Å
C17H21sing1.08Å1.08Å
C18H22sing1.08Å1.08Å
C19H23sing1.08Å1.08Å
C22H24sing1.08Å1.08Å
C23H25sing1.08Å1.08Å
C24H26sing1.08Å1.08Å
C25H27sing1.08Å1.08Å
C26H28sing1.08Å1.08Å
C27H29sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7O2C8111.2°113.8°
O2C7C6114.0°109.3°
O2C7H6108.3°109.5°
O2C7H7108.3°109.6°
O2C8C9110.8°109.3°
O2C8H8109.1°109.5°
O2C8H9109.1°109.5°
C7C6N2110.3°109.3°
C7C6H4109.2°109.5°
C7C6H5109.2°109.5°
C6C7H6108.3°109.5°
C6C7H7108.3°109.5°
C8C9N2111.7°109.3°
C9C8H8109.2°109.6°
C9C8H9109.2°109.5°
C8C9H10108.9°109.5°
C8C9H11108.9°109.5°
C6N2C9110.0°110.7°
C6N2C5117.9°111.0°
N2C6H4109.3°109.6°
N2C6H5109.2°109.5°
C9N2C5114.3°111.0°
N2C9H10108.9°109.5°
N2C9H11108.9°109.6°
N2C5C10120.2°120.0°
N2C5C4121.9°120.0°
C10C5C4117.8°120.0°
C5C10C11121.9°119.9°
C5C10H12119.1°120.0°
C5C4C3121.3°120.1°
C5C4H1119.3°119.9°
C10C11N3119.7°120.1°
C10C11C2118.5°119.9°
C11C10H12119.1°120.0°
C4C3C2120.9°120.1°
C3C4H1119.4°119.9°
C4C3H18119.6°119.9°
N3C12C13111.2°109.2°
C12N3C11122.6°111.0°
C12N3C15113.8°110.8°
N3C12H13109.1°109.5°
N3C12H14109.1°109.5°
C12C13O3110.4°109.3°
C13C12H13109.0°109.4°
C13C12H14109.0°109.5°
C12C13H15109.2°109.5°
C12C13H16109.3°109.5°
N3C11C2121.7°120.0°
C11N3C15122.6°111.1°
C11C2C3119.7°120.0°
C11C2N1118.5°120.0°
C3C2N1121.8°120.0°
C2C3H18119.6°120.0°
N3C15C14111.4°109.3°
N3C15H19109.0°109.5°
N3C15H20109.0°109.5°
C2N1C1132.5°120.0°
C2N1H17113.7°120.0°
C15C14O3111.8°109.3°
C15C14H2108.9°109.5°
C15C14H3108.9°109.6°
C14C15H19109.0°109.5°
C14C15H20109.0°109.5°
C13O3C14109.2°113.8°
O3C13H15109.2°109.5°
O3C13H16109.2°109.5°
O3C14H2108.9°109.5°
O3C14H3108.9°109.5°
N1C1O1124.3°120.0°
N1C1C16116.4°120.0°
C1N1H17113.8°120.0°
O1C1C16119.0°120.0°
C1C16C27122.5°120.1°
C1C16C17119.2°120.1°
C27C16C17118.2°119.8°
C16C27C20121.4°119.8°
C16C27H29119.3°120.1°
C16C17C18119.6°119.9°
C16C17H21120.2°120.0°
C27C20O4119.9°120.0°
C27C20C19120.1°120.1°
C20C27H29119.3°120.1°
C26C25C24120.4°120.1°
C25C26C21119.3°119.9°
C26C25H27119.8°119.9°
C25C26H28120.3°120.1°
C25C24C23119.9°120.1°
C25C24H26120.1°120.0°
C24C25H27119.8°119.9°
C26C21O4118.0°120.1°
C26C21C22120.6°119.8°
C21C26H28120.3°120.0°
C24C23C22120.3°120.1°
C24C23H25119.9°120.0°
C23C24H26120.1°119.9°
C20O4C21118.0°118.0°
O4C20C19119.9°120.0°
O4C21C22121.4°120.1°
C20C19C18118.9°120.2°
C20C19H23120.5°119.9°
C21C22C23119.5°120.0°
C21C22H24120.2°120.0°
C17C18C19121.7°120.2°
C18C17H21120.2°120.0°
C17C18H22119.1°119.9°
C23C22H24120.3°120.0°
C22C23H25119.8°119.9°
C19C18H22119.2°119.9°
C18C19H23120.5°119.9°
H2C14H3109.5°109.4°
H4C6H5109.5°109.4°
H6C7H7109.5°109.5°
H8C8H9109.5°109.5°
H10C9H11109.5°109.5°
H13C12H14109.5°109.6°
H15C13H16109.5°109.5°
H19C15H20109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C7C6H6120.6°119.9°
O2C7C6H7120.7°120.0°
C7O2C8C955.8°58.6°
O2C7C6N253.3°56.9°
O2C7C6H466.8°63.2°
O2C7C6H5173.4°176.8°
O2C7H6H7117.9°120.1°
C7O2C8H864.4°178.6°
C7O2C8H9176.0°61.3°
C8O2C7C655.0°58.6°
O2C8C9H8120.2°120.0°
O2C8C9H9120.2°119.9°
O2C8C9N257.6°56.8°
C8O2C7H6175.6°61.3°
C8O2C7H765.7°178.6°
O2C8H8H9119.4°120.1°
O2C8C9H10177.9°176.8°
O2C8C9H1162.7°63.2°
C7C6N2H4120.1°120.0°
C7C6N2H5120.1°120.0°
C7C6N2C952.7°58.6°
C7C6N2C5173.7°177.6°
C7C6H4H5119.6°120.1°
C6C7H6H7118.0°120.1°
C8C9N2C656.0°58.6°
C8C9N2H10120.3°120.0°
C8C9N2H11120.3°119.9°
C8C9N2C5168.6°177.6°
C9C8H8H9119.4°120.1°
C8C9H10H11119.0°120.0°
C6N2C9C5135.4°123.8°
C6N2C5C10179.6°179.9°
C6N2C5C44.5°0.0°
N2C6H4H5119.6°120.0°
N2C6C7H6174.0°63.1°
N2C6C7H767.4°176.9°
C6N2C9H10176.4°178.6°
C6N2C9H1164.3°61.3°
C9N2C5C1048.6°56.3°
C9N2C5C4127.3°123.6°
C9N2C6H467.5°61.3°
C9N2C6H5172.8°178.6°
N2C9C8H862.6°176.8°
N2C9C8H9177.8°63.1°
N2C9H10H11119.0°120.2°
N2C5C10C4176.1°179.9°
N2C5C10C11177.0°180.0°
N2C5C4C3177.6°180.0°
N2C5C4H12.4°0.2°
C5N2C6H466.2°62.4°
C5N2C6H553.6°57.6°
C5N2C9H1048.2°57.7°
C5N2C9H1171.1°62.4°
N2C5C10H123.0°0.1°
C5C10C11H12180.0°179.9°
C10C5C4C31.6°0.1°
C5C10C11N3177.8°179.8°
C5C10C11C20.2°0.2°
C10C5C4H1178.4°179.7°
C4C5C10C111.0°0.1°
C5C4C3H1180.0°179.8°
C5C4C3C21.0°0.2°
C4C5C10H12179.0°180.0°
C5C4C3H18179.0°179.8°
C10C11N3C1286.8°59.6°
C10C11N3C2177.6°179.6°
C10C11C2C30.8°0.4°
C10C11N3C1581.1°64.0°
C10C11C2N1177.3°180.0°
C4C3C2C110.2°0.4°
C4C3C2H18180.0°179.9°
C4C3C2N1177.8°179.9°
N3C12C13H13120.3°119.9°
N3C12C13H14120.3°120.0°
C12N3C11C15168.0°123.7°
C12N3C11C290.7°120.0°
C12N3C15C1444.8°58.6°
N3C12C13O356.4°56.8°
N3C12H13H14119.2°120.2°
N3C12C13H1563.8°63.1°
N3C12C13H16176.5°176.8°
C12N3C15H1975.5°178.5°
C12N3C15H20165.1°61.4°
C13C12N3C11144.0°177.6°
C13C12N3C1547.1°58.6°
C12C13O3H15120.1°119.9°
C12C13O3H16120.2°120.0°
C12C13O3C1464.1°58.7°
C13C12H13H14119.2°120.1°
C12C13H15H16119.6°120.1°
N3C11C2C3178.4°180.0°
N3C11C2N10.3°0.4°
C11N3C15C14146.3°177.6°
N3C11C10H122.2°0.1°
C11N3C12H1323.8°62.6°
C11N3C12H1495.7°57.7°
C11N3C15H1993.4°57.8°
C11N3C15H2026.0°62.4°
C11C2C3N1178.0°179.5°
C2C11N3C15101.3°116.4°
C11C2N1C1172.4°155.7°
C2C11C10H12179.8°179.7°
C11C2N1H177.6°24.3°
C11C2C3H18179.8°179.5°
C3C2N1C15.7°24.8°
C2C3C4H1178.9°180.0°
C3C2N1H17174.4°155.3°
N3C15C14H19120.3°119.9°
N3C15C14H20120.3°119.9°
N3C15C14O352.1°56.9°
N3C15C14H2172.5°63.1°
N3C15C14H368.2°176.9°
C15N3C12H13167.3°61.3°
C15N3C12H1473.2°178.5°
N3C15H19H20119.1°120.1°
C2N1C1H17180.0°180.0°
C2N1C1O118.5°1.6°
C2N1C1C16168.1°178.4°
N1C2C3H182.2°0.0°
C15C14O3C1362.2°58.7°
C15C14O3H2120.3°120.0°
C15C14O3H3120.4°120.0°
C15C14H2H3119.0°120.1°
C14C15H19H20119.1°120.1°
C13O3C14H2177.4°61.3°
C13O3C14H358.2°178.7°
O3C13C12H13176.6°63.1°
O3C13C12H1463.9°176.7°
O3C13H15H16119.6°120.1°
O3C14H2H3118.9°120.0°
C14O3C13H1556.1°61.3°
C14O3C13H16175.8°178.6°
O3C14C15H1968.1°176.8°
O3C14C15H20172.4°63.1°
N1C1O1C16173.2°180.0°
N1C1C16C273.5°180.0°
N1C1C16C17172.1°0.3°
O1C1C16C27177.2°0.0°
O1C1C16C171.6°179.8°
O1C1N1H17161.5°178.4°
C1C16C27C17175.7°179.8°
C1C16C27C20178.3°179.7°
C1C16C17C18177.7°180.0°
C16C1N1H1711.9°1.6°
C1C16C17H212.4°0.0°
C1C16C27H291.7°0.1°
C16C27C20H29180.0°179.8°
C16C27C20O4178.7°179.7°
C16C27C20C191.5°0.5°
C27C16C17C181.8°0.2°
C27C16C17H21178.2°179.8°
C17C16C27C202.6°0.5°
C16C17C18H21180.0°180.0°
C16C17C18C190.0°0.1°
C16C17C18H22180.0°180.0°
C17C16C27H29177.4°179.7°
C27C20O4C19177.2°179.7°
C27C20O4C2157.3°3.8°
C27C20C19C180.4°0.3°
C27C20C19H23179.6°179.8°
C26C25C24H27180.0°179.5°
C25C26C21H28180.0°179.5°
C26C25C24C230.3°0.2°
C25C26C21O4178.1°179.7°
C25C26C21C220.5°0.5°
C26C25C24H26179.7°179.7°
C24C25C26C210.3°0.5°
C25C24C23H26180.0°180.0°
C25C24C23C220.5°0.0°
C25C24C23H25179.5°180.0°
C24C25C26H28179.7°180.0°
C26C21O4C20137.5°104.5°
C26C21O4C22177.6°179.8°
C26C21C22C230.6°0.2°
C26C21C22H24179.4°179.8°
C21C26C25H27179.7°180.0°
C24C23C22C210.6°0.0°
C24C23C22H25180.0°180.0°
C24C23C22H24179.4°179.9°
C23C24C25H27179.7°179.7°
C20O4C21C2240.1°75.8°
O4C20C19C18176.7°180.0°
O4C20C19H233.3°0.1°
O4C20C27H291.3°0.1°
C21O4C20C19119.9°176.4°
O4C21C22C23178.2°180.0°
O4C21C22H241.8°0.0°
O4C21C26H281.9°0.2°
C20C19C18C171.2°0.0°
C20C19C18H23180.0°179.9°
C20C19C18H22178.8°180.0°
C19C20C27H29178.5°179.6°
C21C22C23H24180.0°180.0°
C21C22C23H25179.4°179.9°
C22C21C26H28179.5°180.0°
C17C18C19H22180.0°179.9°
C17C18C19H23178.8°179.9°
C22C23C24H26179.5°180.0°
C19C18C17H21180.0°179.9°
H1C4C3H181.0°0.0°
H2C14C15H1952.2°56.8°
H2C14C15H2067.2°177.0°
H3C14C15H19171.5°63.2°
H3C14C15H2052.1°56.9°
H4C6C7H653.8°176.9°
H4C6C7H7172.5°56.8°
H5C6C7H665.9°56.9°
H5C6C7H752.8°63.2°
H8C8C9H1057.8°63.2°
H8C8C9H11177.1°56.8°
H9C8C9H1061.9°56.9°
H9C8C9H1157.5°176.9°
H13C12C13H1556.5°177.0°
H13C12C13H1663.2°56.9°
H14C12C13H15176.0°56.8°
H14C12C13H1656.3°63.3°
H21C17C18H220.0°0.0°
H22C18C19H231.2°0.0°
H24C22C23H250.6°0.1°
H25C23C24H260.5°0.0°
H26C24C25H270.3°0.3°
H27C25C26H280.3°0.5°

223532

PDB entries from 2024-08-07

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