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7CA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1sing1.43Å1.44Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
O1C2sing1.36Å1.39Å
C2C3doub1.39Å1.39ÅAromatic
C2C5sing1.39Å1.40ÅAromatic
C3C4sing1.38Å1.39ÅAromatic
C3H3sing1.08Å1.08Å
C4C7doub1.40Å1.40ÅAromatic
C4H4sing1.08Å1.08Å
C5C6doub1.38Å1.40ÅAromatic
C5H5sing1.08Å1.08Å
C6C7sing1.40Å1.40ÅAromatic
C6H6sing1.08Å1.08Å
C7C8sing1.47Å1.40ÅAromatic
C8O2sing1.34Å1.39ÅAromatic
C8C9doub1.36Å1.43ÅAromatic
O2C12sing1.35Å1.37ÅAromatic
C9C10sing1.42Å1.41ÅAromatic
C9O5sing1.36Å1.40Å
C10C11sing1.47Å1.40ÅAromatic
C10O3doub1.22Å1.23Å
C11C12sing1.41Å1.40ÅAromatic
C11C13doub1.40Å1.39ÅAromatic
C12C16doub1.39Å1.39ÅAromatic
C13C14sing1.38Å1.40ÅAromatic
C13O4sing1.36Å1.37Å
C14C15doub1.39Å1.40ÅAromatic
C14H14sing1.08Å1.08Å
C15C16sing1.39Å1.38ÅAromatic
C15O10sing1.36Å1.37Å
C16C17sing1.51Å1.52Å
O4HO4sing0.97Å0.95Å
O10HO10sing0.97Å0.95Å
C17C18sing1.53Å1.53Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C18C19sing1.53Å1.39Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C19C20sing1.53Å1.53Å
C19C21sing1.53Å1.53Å
C19H19sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C20H203sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C21H213sing1.09Å1.10Å
O5C22sing1.43Å1.43Å
C22O6sing1.43Å1.44Å
C22C23sing1.53Å1.55Å
C22H22sing1.09Å1.10Å
O6C26sing1.43Å1.45Å
C23O7sing1.43Å1.42Å
C23C24sing1.53Å1.54Å
C23H23sing1.09Å1.10Å
O7HO7sing0.97Å0.95Å
C24O8sing1.43Å1.42Å
C24C25sing1.53Å1.53Å
C24H24sing1.09Å1.10Å
O8HO8sing0.97Å0.95Å
C25O9sing1.43Å1.42Å
C25C26sing1.53Å1.53Å
C25H25sing1.09Å1.10Å
O9HO9sing0.97Å0.95Å
C26C27sing1.53Å1.54Å
C26H26sing1.09Å1.10Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1H11109.5°109.4°
O1C1H12109.5°109.5°
O1C1H13109.5°109.5°
C1O1C2110.3°106.8°
H11C1H12109.5°109.5°
H11C1H13109.4°109.4°
H12C1H13109.5°109.5°
O1C2C3121.1°119.9°
O1C2C5119.2°119.9°
C3C2C5119.8°120.2°
C2C3C4119.7°120.1°
C2C3H3120.2°120.0°
C2C5C6120.0°120.1°
C2C5H5120.0°119.9°
C4C3H3120.2°120.0°
C3C4C7121.9°119.9°
C3C4H4119.0°120.1°
C7C4H4119.1°120.0°
C4C7C6118.2°119.8°
C4C7C8118.8°120.1°
C6C5H5120.0°120.0°
C5C6C7120.5°119.9°
C5C6H6119.7°120.0°
C7C6H6119.8°120.0°
C6C7C8123.0°120.2°
C7C8O2116.7°118.7°
C7C8C9124.0°118.8°
O2C8C9119.0°122.5°
C8O2C12121.9°122.3°
C8C9C10118.9°119.4°
C8C9O5122.4°120.3°
O2C12C11120.2°119.8°
O2C12C16119.3°120.7°
C10C9O5118.7°120.3°
C9C10C11120.3°117.4°
C9C10O3119.9°121.3°
C9O5C22113.9°106.8°
C11C10O3119.7°121.3°
C10C11C12119.6°118.5°
C10C11C13121.1°121.3°
C12C11C13119.3°120.2°
C11C12C16120.5°119.4°
C11C13C14120.0°119.5°
C11C13O4120.1°120.2°
C12C16C15120.3°120.0°
C12C16C17119.6°120.0°
C14C13O4119.9°120.3°
C13C14C15120.1°120.2°
C13C14H14120.0°120.0°
C13O4HO4109.5°106.8°
C15C14H14119.9°119.8°
C14C15C16119.8°120.7°
C14C15O10120.4°119.7°
C16C15O10119.8°119.6°
C15C16C17120.0°120.0°
C15O10HO10109.5°106.8°
C16C17C18114.6°109.5°
C16C17H171106.6°109.5°
C16C17H172107.8°109.5°
C18C17H171106.7°109.5°
C18C17H172107.8°109.4°
C17C18C19120.4°109.5°
C17C18H181103.4°109.5°
C17C18H182106.0°109.4°
H171C17H172113.5°109.5°
C19C18H181103.4°109.5°
C19C18H182106.0°109.5°
C18C19C20119.8°109.5°
C18C19C21120.3°109.5°
C18C19H1958.5°109.5°
H181C18H182118.6°109.5°
C20C19C21119.8°109.5°
C20C19H19174.3°109.5°
C19C20H201109.4°109.5°
C19C20H202109.5°109.5°
C19C20H203109.5°109.5°
C21C19H1962.1°109.5°
C19C21H211109.5°109.5°
C19C21H212109.5°109.5°
C19C21H213109.5°109.5°
H201C20H202109.5°109.5°
H201C20H203109.5°109.5°
H202C20H203109.4°109.4°
H211C21H212109.5°109.4°
H211C21H213109.4°109.5°
H212C21H213109.5°109.5°
O5C22O6110.6°109.5°
O5C22C23107.5°109.4°
O5C22H22110.2°109.4°
O6C22C23109.9°109.8°
O6C22H22107.8°109.4°
C22O6C26113.6°107.6°
C23C22H22110.8°109.4°
C22C23O7110.7°109.6°
C22C23C24109.9°109.1°
C22C23H23108.6°109.5°
O6C26C25110.2°109.8°
O6C26C27108.9°109.4°
O6C26H26109.3°109.4°
O7C23C24110.2°109.5°
O7C23H23108.3°109.6°
C23O7HO7109.5°106.8°
C24C23H23109.2°109.5°
C23C24O8110.3°109.8°
C23C24C25110.7°108.6°
C23C24H24108.2°109.6°
O8C24C25109.8°109.6°
O8C24H24109.1°109.6°
C24O8HO8109.5°106.8°
C25C24H24108.7°109.6°
C24C25O9109.6°109.6°
C24C25C26109.8°109.0°
C24C25H25109.3°109.6°
O9C25C26109.9°109.5°
O9C25H25109.3°109.6°
C25O9HO9109.5°106.8°
C26C25H25109.0°109.6°
C25C26C27109.1°109.4°
C25C26H26109.0°109.4°
C27C26H26110.3°109.4°
C26C27H271109.5°109.4°
C26C27H272109.5°109.4°
C26C27H273109.5°109.5°
H271C27H272109.5°109.5°
H271C27H273109.5°109.5°
H272C27H273109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1H11H12120.0°120.0°
O1C1H11H13120.0°120.0°
O1C1H12H13120.0°120.1°
C1O1C2C316.3°180.0°
C1O1C2C5163.4°0.2°
H11C1H12H13120.0°120.0°
H11C1O1C229.4°180.0°
H12C1O1C2149.5°60.0°
H13C1O1C290.5°60.0°
O1C2C3C5179.7°179.8°
O1C2C3C4179.3°180.0°
O1C2C3H30.7°0.0°
O1C2C5C6179.3°179.7°
O1C2C5H50.7°0.2°
C2C3C4H3180.0°180.0°
C2C3C4C70.2°0.0°
C2C3C4H4179.8°180.0°
C3C2C5C61.0°0.5°
C3C2C5H5179.0°180.0°
C5C2C3C40.9°0.2°
C5C2C3H3179.0°179.8°
C2C5C6H5180.0°179.5°
C2C5C6C70.3°0.5°
C2C5C6H6179.7°179.7°
C3C4C7H4180.0°179.9°
C3C4C7C60.6°0.0°
C3C4C7C8178.3°180.0°
H3C3C4C7179.8°180.0°
H3C3C4H40.2°0.0°
C4C7C6C50.5°0.3°
C4C7C6C8178.9°180.0°
C4C7C6H6179.5°180.0°
C4C7C8O225.3°131.9°
C4C7C8C9161.3°48.4°
H4C4C7C6179.4°179.9°
H4C4C7C81.7°0.0°
C5C6C7H6180.0°179.7°
C5C6C7C8178.3°179.8°
H5C5C6C7179.8°180.0°
H5C5C6H60.2°0.3°
C6C7C8O2153.5°48.0°
C6C7C8C919.8°131.6°
H6C6C7C81.7°0.0°
C7C8O2C9173.7°179.6°
C7C8O2C12172.0°179.8°
C7C8C9C10172.4°179.9°
C7C8C9O54.9°0.1°
O2C8C9C100.8°0.3°
O2C8C9O5178.2°179.7°
C8O2C12C111.3°0.5°
C8O2C12C16178.8°179.7°
C9C8O2C121.8°0.6°
C8C9C10O5177.5°180.0°
C8C9C10C110.6°0.0°
C8C9C10O3179.7°180.0°
C8C9O5C2276.3°117.1°
O2C12C11C100.1°0.2°
O2C12C11C16179.9°179.8°
O2C12C11C13179.6°179.7°
O2C12C16C15179.0°179.8°
O2C12C16C170.7°0.2°
C9C10C11O3179.7°180.0°
C9C10C11C121.0°0.0°
C9C10C11C13179.5°180.0°
C10C9O5C22106.3°63.0°
O5C9C10C11176.9°180.0°
O5C9C10O32.8°0.0°
C9O5C22O673.4°76.7°
C9O5C22C23166.6°163.0°
C9O5C22H2245.7°43.1°
C10C11C12C13179.5°180.0°
C10C11C12C16179.8°180.0°
C10C11C13C14179.3°180.0°
C10C11C13O41.0°0.0°
O3C10C11C12179.3°180.0°
O3C10C11C130.2°0.0°
C12C11C13C140.2°0.0°
C12C11C13O4179.5°180.0°
C11C12C16C150.9°0.0°
C11C12C16C17179.4°180.0°
C13C11C12C160.3°0.0°
C11C13C14O4179.7°180.0°
C11C13C14C150.1°0.0°
C11C13C14H14179.9°180.0°
C11C13O4HO4137.5°90.0°
C12C16C15C141.0°0.0°
C12C16C15C17179.7°180.0°
C12C16C15O10178.6°180.0°
C12C16C17C18118.7°90.0°
C12C16C17H1711.0°30.0°
C12C16C17H172121.3°150.0°
C13C14C15H14180.0°179.9°
C13C14C15C160.5°0.0°
C13C14C15O10178.1°180.0°
C14C13O4HO442.2°90.0°
O4C13C14C15179.6°180.0°
O4C13C14H140.4°0.0°
C14C15C16O10177.6°180.0°
C14C15C16C17179.3°180.0°
C14C15O10HO1086.5°90.0°
H14C14C15C16179.5°179.9°
H14C14C15O101.9°0.0°
C16C15O10HO1091.1°90.0°
C15C16C17C1860.9°90.0°
C15C16C17H171178.7°150.0°
C15C16C17H17259.1°30.0°
O10C15C16C171.8°0.0°
C16C17C18H171117.7°120.1°
C16C17C18H172120.0°120.0°
C16C17H171H172118.6°120.0°
C16C17C18C1987.4°180.0°
C16C17C18H181158.0°59.9°
C16C17C18H18232.6°60.0°
C18C17H171H172118.6°119.9°
C17C18C19H181114.6°120.0°
C17C18C19H182120.0°120.0°
C17C18H181H182116.9°119.9°
C17C18C19C20179.9°65.0°
C17C18C19C210.2°175.0°
C17C18C19H196.2°55.0°
H171C17C18C1930.3°60.0°
H171C17C18H18184.3°180.0°
H171C17C18H182150.3°60.0°
H172C17C18C19152.6°60.0°
H172C17C18H18138.0°60.0°
H172C17C18H18287.4°180.0°
C19C18H181H182116.8°120.0°
C18C19C20C21180.0°120.0°
C18C19C20H1971.6°120.0°
C18C19C21H196.1°120.0°
C18C19C20H20185.3°60.0°
C18C19C20H202154.7°180.0°
C18C19C20H20334.7°60.0°
C18C19C21H21143.4°60.0°
C18C19C21H21276.6°180.0°
C18C19C21H213163.4°60.0°
H181C18C19C2065.2°55.0°
H181C18C19C21114.8°65.0°
H181C18C19H19108.4°175.0°
H182C18C19C2060.2°175.0°
H182C18C19C21119.8°55.0°
H182C18C19H19126.1°65.0°
C20C19C21H19173.9°120.0°
C19C20H201H202120.0°120.0°
C19C20H201H203120.0°120.0°
C19C20H202H203120.0°119.9°
C20C19C21H211136.5°180.0°
C20C19C21H212103.4°60.0°
C20C19C21H21316.6°59.9°
C21C19C20H20194.7°60.0°
C21C19C20H20225.3°60.1°
C21C19C20H203145.3°180.0°
C19C21H211H212120.0°120.0°
C19C21H211H213120.0°120.1°
C19C21H212H213120.0°120.0°
H19C19C20H201156.9°180.0°
H19C19C20H20283.0°59.9°
H19C19C20H20336.9°60.0°
H19C19C21H21149.6°60.0°
H19C19C21H21270.5°60.0°
H19C19C21H213169.5°180.0°
H201C20H202H203120.0°120.0°
H211C21H212H213120.0°120.0°
O5C22O6C23118.6°120.1°
O5C22O6H22120.5°119.8°
O5C22C23H22120.4°119.8°
O5C22O6C2658.4°52.6°
O5C22C23O7173.2°178.7°
O5C22C23C2464.9°58.8°
O5C22C23H2354.4°61.0°
O6C22C23H22119.1°120.0°
O6C22C23O766.4°58.6°
O6C22C23C2455.6°61.3°
O6C22C23H23174.9°178.8°
C22O6C26C2560.8°67.6°
C22O6C26C27179.5°172.4°
C22O6C26H2659.0°52.5°
C23C22O6C2660.2°67.6°
C22C23O7C24121.7°119.6°
C22C23O7H23119.0°120.2°
C22C23C24H23119.0°119.8°
C22C23O7HO776.9°61.0°
C22C23C24O8175.8°173.6°
C22C23C24C2554.0°53.8°
C22C23C24H2465.0°66.0°
H22C22O6C26178.9°172.4°
H22C22C23O752.7°61.4°
H22C22C23C24174.7°178.6°
H22C22C23H2366.0°58.8°
O6C26C25C2456.3°61.3°
O6C26C25O9176.9°178.8°
O6C26C25C27119.5°120.1°
O6C26C25H26119.9°120.1°
O6C26C25H2563.4°58.6°
O6C26C27H26119.9°119.8°
O6C26C27H271127.1°60.0°
O6C26C27H2727.1°180.0°
O6C26C27H273112.9°60.0°
O7C23C24H23118.8°120.2°
O7C23C24O853.5°53.6°
O7C23C24C2568.3°66.2°
O7C23C24H24172.7°174.0°
C24C23O7HO744.8°179.4°
C23C24O8C25122.3°119.2°
C23C24O8H24118.7°120.4°
C23C24C25H24118.7°119.8°
C23C24O8HO874.4°60.7°
C23C24C25O9175.1°173.6°
C23C24C25C2654.3°53.7°
C23C24C25H2565.2°66.1°
H23C23O7HO7164.1°59.2°
H23C23C24O865.3°66.6°
H23C23C24C25173.0°173.6°
H23C23C24H2454.0°53.8°
O8C24C25H24119.2°120.3°
O8C24C25O962.9°66.5°
O8C24C25C26176.4°173.7°
O8C24C25H2556.9°53.8°
C25C24O8HO847.9°179.9°
C24C25O9C26120.7°119.5°
C24C25O9H25119.7°120.3°
C24C25C26H25119.7°119.9°
C24C25O9HO9126.1°179.6°
C24C25C26C27175.8°178.7°
C24C25C26H2663.6°58.8°
H24C24O8HO8166.9°59.7°
H24C24C25O956.4°53.8°
H24C24C25C2664.4°66.0°
H24C24C25H25176.1°174.1°
O9C25C26H25119.7°120.2°
O9C25C26C2763.6°58.8°
O9C25C26H2657.0°61.1°
C26C25O9HO9113.1°60.0°
C25C26C27H26119.7°119.8°
C25C26C27H2716.7°60.3°
C25C26C27H272113.3°59.7°
C25C26C27H273126.7°179.7°
H25C25O9HO96.4°60.2°
H25C25C26C2756.1°61.5°
H25C25C26H26176.7°178.7°
C26C27H271H272120.0°120.0°
C26C27H271H273120.0°120.0°
C26C27H272H273120.0°120.0°
H26C26C27H271113.0°179.8°
H26C26C27H272127.0°60.1°
H26C26C27H2737.0°59.8°
H271C27H272H273120.0°120.1°

226262

PDB entries from 2024-10-16

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