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A1ERW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.52Å
C3C2sing1.53Å1.52Å
C2C4sing1.51Å1.52Å
C4C9doub1.38Å1.38ÅAromatic
C4C5sing1.38Å1.39ÅAromatic
C9C8sing1.38Å1.38ÅAromatic
C5C6doub1.39Å1.39ÅAromatic
C8C7doub1.39Å1.39ÅAromatic
C6C7sing1.38Å1.40ÅAromatic
C6C17sing1.50Å1.51Å
C7C10sing1.51Å1.53Å
C17C16sing1.53Å1.52Å
C10C11sing1.53Å1.54Å
C10C22sing1.53Å1.53Å
C10C15sing1.52Å1.56Å
C11C12sing1.53Å1.52Å
C16C15sing1.53Å1.53Å
C15C14sing1.51Å1.56Å
C12C13sing1.52Å1.51Å
O20C19doub1.21Å1.24Å
C14C13sing1.53Å1.53Å
C14C19sing1.53Å1.54Å
C14C18sing1.53Å1.54Å
C19O21sing1.34Å1.24Å
C5H1sing1.08Å1.08Å
C8H2sing1.08Å1.08Å
C13H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C15H5sing1.12Å1.10Å
C17H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C22H8sing1.09Å1.10Å
C22H9sing1.09Å1.10Å
C22H10sing1.09Å1.10Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C11H15sing1.09Å1.10Å
C12H16sing1.10Å1.10Å
C12H17sing1.09Å1.10Å
C16H18sing1.08Å1.10Å
C16H19sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C2H23sing1.09Å1.10Å
C3H24sing1.09Å1.10Å
C3H25sing1.09Å1.10Å
C3H26sing1.09Å1.10Å
C9H27sing1.08Å1.08Å
O21H28sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3110.0°109.4°
C1C2C4110.6°109.5°
C2C1H11109.5°109.5°
C2C1H12109.4°109.5°
C2C1H13109.5°109.5°
C1C2H23108.3°109.4°
C3C2C4111.1°109.5°
C3C2H23108.3°109.5°
C2C3H24109.5°109.4°
C2C3H25109.5°109.4°
C2C3H26109.4°109.5°
C2C4C9120.7°120.1°
C2C4C5121.0°120.0°
C4C2H23108.3°109.5°
C9C4C5118.4°119.9°
C4C9C8121.0°119.7°
C4C9H27119.5°120.3°
C4C5C6121.4°120.7°
C4C5H1119.3°119.8°
C9C8C7121.0°120.4°
C9C8H2119.5°119.2°
C8C9H27119.5°120.1°
C5C6C7119.7°119.2°
C5C6C17118.1°117.1°
C6C5H1119.3°119.5°
C8C7C6118.6°120.2°
C8C7C10119.0°118.4°
C7C8H2119.5°120.3°
C7C6C17122.2°123.7°
C6C7C10122.3°121.4°
C6C17C16113.2°111.8°
C6C17H6108.5°109.1°
C6C17H7108.5°109.2°
C7C10C11110.1°110.3°
C7C10C22105.4°106.6°
C7C10C15108.1°108.4°
C17C16C15109.6°107.7°
C16C17H6108.5°108.8°
C16C17H7108.5°108.8°
C17C16H18109.4°109.8°
C17C16H19109.5°108.4°
C11C10C22109.1°108.8°
C11C10C15109.3°110.4°
C10C11C12114.0°109.4°
C10C11H14108.3°109.7°
C10C11H15108.3°109.5°
C22C10C15114.7°112.3°
C10C22H8109.5°109.4°
C10C22H9109.5°109.5°
C10C22H10109.5°109.5°
C10C15C16109.9°109.4°
C10C15C14117.7°115.8°
C10C15H5104.9°105.7°
C11C12C13111.4°110.3°
C12C11H14108.3°109.3°
C12C11H15108.3°109.6°
C11C12H16109.0°108.4°
C11C12H17109.0°110.9°
C16C15C14113.0°113.7°
C16C15H5105.2°105.4°
C15C16H18109.4°112.0°
C15C16H19109.4°110.3°
C15C14C13108.8°111.7°
C15C14C19108.9°108.2°
C15C14C18113.2°112.8°
C14C15H5104.8°105.9°
C12C13C14112.0°112.3°
C12C13H3108.8°109.2°
C12C13H4108.8°109.3°
C13C12H16109.0°108.7°
C13C12H17109.0°110.6°
O20C19C14118.3°120.0°
O20C19O21125.1°120.0°
C13C14C19109.4°106.5°
C13C14C18109.3°110.2°
C14C13H3108.9°108.9°
C14C13H4108.8°109.0°
C19C14C18107.2°107.2°
C14C19O21116.7°120.0°
C14C18H20109.5°109.5°
C14C18H21109.4°109.5°
C14C18H22109.5°109.4°
C19O21H28109.5°117.0°
H3C13H4109.5°108.1°
H6C17H7109.5°109.0°
H8C22H9109.5°109.5°
H8C22H10109.5°109.5°
H9C22H10109.5°109.5°
H11C1H12109.5°109.5°
H11C1H13109.5°109.4°
H12C1H13109.4°109.5°
H14C11H15109.5°109.3°
H16C12H17109.5°107.8°
H18C16H19109.5°108.6°
H20C18H21109.5°109.4°
H20C18H22109.5°109.5°
H21C18H22109.5°109.5°
H24C3H25109.5°109.5°
H24C3H26109.5°109.5°
H25C3H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3C4122.9°120.0°
C1C2C3H23118.2°120.0°
C1C2C4H23118.6°120.0°
C1C2C4C928.3°60.0°
C1C2C4C5154.0°119.7°
C2C1H11H12120.0°120.0°
C2C1H11H13120.0°120.0°
C2C1H12H13120.0°120.1°
C1C2C3H24180.0°60.0°
C1C2C3H2560.0°180.0°
C1C2C3H2660.0°60.0°
C3C2C4H23118.9°120.1°
C3C2C4C994.3°60.0°
C3C2C4C583.4°120.3°
C3C2C1H11180.0°59.9°
C3C2C1H1260.0°180.0°
C3C2C1H1360.0°60.0°
C2C3H24H25120.0°119.9°
C2C3H24H26120.0°120.0°
C2C3H25H26120.0°120.0°
C2C4C9C5177.7°179.7°
C2C4C9C8177.6°179.4°
C2C4C5C6177.7°179.6°
C2C4C5H12.4°0.3°
C4C2C1H1156.8°179.9°
C4C2C1H1263.2°60.1°
C4C2C1H13176.9°60.0°
C4C2C3H2457.1°60.0°
C4C2C3H25177.2°60.0°
C4C2C3H2662.9°180.0°
C2C4C9H272.4°0.6°
C4C9C8H27180.0°179.9°
C9C4C5C60.1°0.1°
C4C9C8C70.1°0.1°
C9C4C5H1179.9°179.9°
C4C9C8H2179.9°179.9°
C9C4C2H23146.8°180.0°
C5C4C9C80.2°0.3°
C4C5C6H1180.0°179.9°
C4C5C6C70.3°0.3°
C4C5C6C17177.8°179.1°
C5C4C2H2335.5°0.3°
C5C4C9H27179.9°179.7°
C9C8C7H2180.0°180.0°
C9C8C7C60.5°0.5°
C9C8C7C10176.1°179.5°
C5C6C7C80.6°0.6°
C5C6C7C17178.0°179.4°
C5C6C7C10175.9°179.4°
C5C6C17C16166.0°169.2°
C5C6C17H673.5°70.3°
C5C6C17H745.4°48.8°
C8C7C6C10176.4°179.9°
C8C7C6C17177.5°178.8°
C8C7C10C1139.2°36.8°
C8C7C10C2278.3°81.2°
C8C7C10C15158.6°157.8°
C7C8C9H27179.9°180.0°
C7C6C17C1616.0°10.2°
C6C7C10C11144.4°143.2°
C6C7C10C2298.1°98.8°
C6C7C10C1525.0°22.3°
C7C6C5H1179.7°179.6°
C6C7C8H2179.5°179.5°
C7C6C17H6104.6°110.2°
C7C6C17H7136.5°130.7°
C17C6C7C106.1°1.1°
C6C17C16H6120.6°120.6°
C6C17C16H7120.6°120.7°
C6C17C16C1545.5°43.9°
C17C6C5H12.2°0.9°
C6C17H6H7118.3°119.2°
C6C17C16H18165.5°78.2°
C6C17C16H1974.5°163.3°
C7C10C11C22115.3°116.6°
C7C10C11C15118.6°119.7°
C7C10C22C15118.8°118.5°
C7C10C11C12134.2°177.1°
C7C10C15C1654.5°57.6°
C7C10C15C14174.2°172.4°
C10C7C8H23.9°0.5°
C7C10C15H558.1°55.5°
C7C10C22H8180.0°53.2°
C7C10C22H960.0°173.2°
C7C10C22H1060.0°66.7°
C7C10C11H14105.1°63.0°
C7C10C11H1513.6°56.9°
C17C16C15C1067.1°70.3°
C17C16C15H18120.0°120.8°
C17C16C15H19120.0°118.1°
C17C16C15C14159.2°158.5°
C17C16C15H545.3°42.9°
C16C17H6H7118.2°118.5°
C17C16H18H19119.9°118.4°
C11C10C22C15122.9°122.5°
C10C11C12H14120.7°120.1°
C10C11C12H15120.7°120.1°
C11C10C15C16174.4°178.5°
C11C10C15C1454.3°51.5°
C10C11C12C1341.5°61.3°
C11C10C15H561.7°65.4°
C11C10C22H861.8°65.7°
C11C10C22H9178.2°54.2°
C11C10C22H1058.2°174.3°
C10C11H14H15117.9°120.1°
C10C11C12H16161.8°179.8°
C10C11C12H1778.8°61.6°
C22C10C11C12110.5°66.3°
C22C10C15C1662.8°59.9°
C22C10C15C1468.5°70.1°
C22C10C15H5175.4°173.0°
C10C22H8H9120.0°120.0°
C10C22H8H10120.0°120.0°
C10C22H9H10120.0°120.0°
C22C10C11H1410.2°53.6°
C22C10C11H15128.8°173.5°
C15C10C11C1215.6°57.3°
C10C15C16C14133.7°131.2°
C10C15C16H5112.5°113.3°
C10C15C14H5116.1°116.8°
C10C15C14C1330.3°46.7°
C10C15C14C19149.5°163.6°
C10C15C14C1891.4°78.0°
C15C10C22H861.2°171.8°
C15C10C22H958.8°68.2°
C15C10C22H10178.8°51.8°
C15C10C11H14136.3°177.2°
C15C10C11H15105.1°62.8°
C10C15C16H18172.9°50.5°
C10C15C16H1952.9°171.6°
C11C12C13H16120.3°118.7°
C11C12C13H17120.3°123.1°
C11C12C13C1468.0°57.2°
C11C12C13H352.4°178.1°
C11C12C13H4171.7°63.8°
C12C11H14H15117.9°120.0°
C11C12H16H17119.1°120.1°
C16C15C14H5114.0°115.2°
C16C15C14C13160.2°174.7°
C16C15C14C1980.7°68.4°
C16C15C14C1838.5°50.0°
C15C16C17H675.1°76.7°
C15C16C17H7166.0°164.6°
C15C16H18H19119.9°122.1°
C15C14C13C1229.5°48.8°
C15C14C19O2029.5°0.0°
C15C14C13C19118.8°117.9°
C15C14C13C18124.0°126.1°
C15C14C19C18122.8°121.9°
C15C14C19O21150.2°180.0°
C15C14C13H390.9°169.9°
C15C14C13H4149.8°72.4°
C14C15C16H1839.1°80.7°
C14C15C16H1980.8°40.4°
C15C14C18H20180.0°66.8°
C15C14C18H2160.0°173.3°
C15C14C18H2260.0°53.2°
C12C13C14H3120.4°121.1°
C12C13C14H4120.4°121.2°
C12C13C14C1989.4°166.7°
C12C13C14C18153.5°77.3°
C12C13H3H4118.9°118.8°
C13C12C11H1479.2°178.6°
C13C12C11H15162.2°58.8°
C13C12H16H17119.2°120.0°
O20C19C14C1389.3°120.2°
O20C19C14O21179.7°180.0°
O20C19C14C18152.2°121.9°
O20C19O21H280.0°0.1°
C13C14C19C18118.5°117.9°
C13C14C19O2191.0°59.8°
C14C13H3H4118.9°118.3°
C13C14C15H585.8°70.1°
C14C13C12H16171.7°176.0°
C14C13C12H1752.3°65.8°
C13C14C18H2058.6°58.7°
C13C14C18H21178.6°61.2°
C13C14C18H2261.4°178.7°
C19C14C13H3150.3°72.2°
C19C14C13H431.0°45.5°
C19C14C15H533.4°46.8°
C19C14C18H2059.9°174.2°
C19C14C18H2160.1°54.3°
C19C14C18H22180.0°65.8°
C14C19O21H28179.7°180.0°
C18C14C19O2127.5°58.1°
C18C14C13H333.1°43.7°
C18C14C13H486.2°161.4°
C18C14C15H5152.5°165.2°
C14C18H20H21120.0°120.0°
C14C18H20H22120.0°120.0°
C14C18H21H22120.0°120.0°
H2C8C9H270.1°0.0°
H3C13C12H1667.9°63.1°
H3C13C12H17172.7°55.1°
H4C13C12H1651.4°54.9°
H4C13C12H1768.1°173.1°
H5C15C16H1874.7°163.7°
H5C15C16H19165.4°75.2°
H6C17C16H1844.9°161.1°
H6C17C16H19164.9°42.6°
H7C17C16H1873.9°42.5°
H7C17C16H1946.0°76.1°
H8C22H9H10120.0°120.0°
H11C1H12H13120.0°119.9°
H11C1C2H2361.7°60.0°
H12C1C2H23178.2°60.0°
H13C1C2H2358.3°180.0°
H14C11C12H1641.2°59.7°
H14C11C12H17160.6°58.5°
H15C11C12H1677.5°60.1°
H15C11C12H1741.9°178.3°
H20C18H21H22120.0°120.0°
H23C2C3H2461.8°180.0°
H23C2C3H2558.3°60.1°
H23C2C3H26178.2°59.9°
H24C3H25H26120.0°120.1°

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