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LLM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O20C20sing1.43Å1.42Å
O16C16sing1.43Å1.44Å
O16C17sing1.42Å1.44Å
C18C17sing1.53Å1.51Å
C18C19sing1.53Å1.51Å
O19C19sing1.45Å1.43Å
O19C1sing1.35Å1.36Å
C20C19sing1.53Å1.53Å
C20C21sing1.51Å1.52Å
C16C17sing1.53Å1.50Å
C16C15sing1.53Å1.52Å
C2C1sing1.46Å1.39Å
C2C3doub1.33Å1.39Å
C22C21doub1.31Å1.52Å
C22C23sing1.51Å1.52Å
C1O1doub1.21Å1.23Å
C15O15sing1.42Å1.43Å
C15C14sing1.52Å1.52Å
O27C23sing1.43Å1.44Å
O27C27sing1.43Å1.45Å
C3C4sing1.51Å1.39Å
C23C24sing1.53Å1.54Å
C14C13sing1.50Å1.39Å
C24C25sing1.50Å1.41Å
C27C26sing1.50Å1.40Å
C4C5sing1.53Å1.53Å
C25C26doub1.30Å1.40Å
C25C30sing1.51Å1.38Å
C29C13doub1.31Å1.39Å
C13C12sing1.51Å1.40Å
C5C6sing1.51Å1.40Å
C5O9sing1.42Å1.45Å
C6C7doub1.30Å1.40Å
C12C11sing1.53Å1.54Å
C7C8sing1.50Å1.41Å
O9C9sing1.42Å1.44Å
C10C11sing1.53Å1.52Å
C10C9sing1.53Å1.51Å
C11C28sing1.53Å1.53Å
C9C8sing1.52Å1.53Å
C18H1sing1.09Å1.10Å
C18H2sing1.09Å1.10Å
C17H3sing1.09Å1.10Å
C16H4sing1.09Å1.10Å
C15H5sing1.10Å1.10Å
O15H6sing0.97Å0.95Å
C14H7sing1.10Å1.10Å
C14H8sing1.10Å1.10Å
C29H10sing1.08Å1.08Å
C29H11sing1.08Å1.08Å
C12H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C11H15sing1.09Å1.10Å
C28H16sing1.09Å1.10Å
C28H17sing1.09Å1.10Å
C28H18sing1.09Å1.10Å
C10H19sing1.09Å1.10Å
C10H20sing1.09Å1.10Å
C9H21sing1.10Å1.10Å
C8H22sing1.09Å1.10Å
C8H23sing1.09Å1.10Å
C7H24sing1.08Å1.08Å
C6H25sing1.08Å1.08Å
C5H26sing1.09Å1.10Å
C4H27sing1.09Å1.10Å
C4H28sing1.09Å1.10Å
C3H29sing1.09Å1.08Å
C2H30sing1.09Å1.08Å
C19H31sing1.09Å1.10Å
C20H32sing1.09Å1.10Å
O20H33sing0.97Å0.95Å
C21H34sing1.08Å1.08Å
C22H36sing1.08Å1.08Å
C23H38sing1.09Å1.10Å
C24H39sing1.09Å1.10Å
C24H40sing1.09Å1.10Å
C27H41sing1.09Å1.10Å
C27H42sing1.09Å1.10Å
C26H43sing1.08Å1.08Å
C30H44sing1.09Å1.10Å
C30H45sing1.09Å1.10Å
C30H46sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O20C20C19110.4°109.5°
O20C20C21109.7°109.5°
O20C20H32110.4°109.5°
C20O20H33109.5°114.0°
C16O16C1762.7°64.6°
O16C16C1758.5°57.4°
O16C16C15115.8°116.7°
O16C16H4119.0°117.3°
O16C17C18115.3°117.1°
O16C17C1658.8°58.0°
O16C17H3119.3°118.2°
C17C18C19109.4°109.9°
C18C17C16114.4°118.4°
C17C18H1109.5°109.0°
C17C18H2109.5°109.2°
C18C17H3117.8°115.2°
C18C19O19108.9°109.5°
C18C19C20109.2°109.4°
C19C18H1109.5°109.4°
C19C18H2109.5°109.6°
C18C19H31109.2°110.0°
C19O19C1116.6°118.2°
O19C19C20110.2°109.1°
O19C19H31110.4°109.9°
O19C1C2116.4°119.0°
O19C1O1124.0°120.2°
C19C20C21108.6°109.4°
C20C19H31108.9°109.0°
C19C20H32108.8°109.4°
C20C21C22116.1°120.0°
C21C20H32108.9°109.5°
C20C21H34121.9°120.0°
C17C16C15115.2°119.0°
C16C17H3118.0°118.0°
C17C16H4117.8°117.5°
C16C15O15109.3°110.7°
C16C15C14109.0°111.0°
C15C16H4117.4°116.1°
C16C15H5109.2°108.0°
C1C2C3125.9°123.6°
C2C1O1119.5°120.8°
C1C2H30117.1°118.4°
C2C3C4124.1°123.3°
C2C3H29117.9°118.3°
C3C2H30117.0°118.0°
C21C22C23113.0°120.0°
C22C21H34121.9°120.1°
C21C22H36123.5°120.0°
C22C23O27111.4°109.7°
C22C23C24110.1°109.7°
C23C22H36123.5°120.0°
C22C23H38108.9°109.7°
O15C15C14109.5°111.1°
O15C15H5110.5°107.7°
C15O15H6109.5°114.0°
C15C14C13110.2°112.3°
C14C15H5109.3°108.2°
C15C14H7109.3°109.3°
C15C14H8109.3°109.3°
C23O27C27113.3°113.0°
O27C23C24107.7°108.4°
O27C23H38110.0°109.7°
O27C27C26113.7°110.2°
O27C27H41108.4°109.3°
O27C27H42108.4°109.4°
C3C4C5110.5°109.4°
C3C4H27109.2°109.1°
C3C4H28109.2°110.6°
C4C3H29118.0°118.5°
C23C24C25114.3°109.6°
C24C23H38108.7°109.7°
C23C24H39108.2°109.5°
C23C24H40108.2°109.4°
C14C13C29119.3°121.2°
C14C13C12119.4°119.4°
C13C14H7109.3°108.8°
C13C14H8109.3°109.2°
C24C25C26123.8°122.5°
C24C25C30118.0°118.7°
C25C24H39108.3°109.5°
C25C24H40108.3°109.5°
C27C26C25118.6°122.9°
C26C27H41108.4°109.3°
C26C27H42108.4°109.4°
C27C26H43120.7°118.6°
C4C5C6109.2°108.9°
C4C5O9108.2°109.6°
C4C5H26107.6°108.4°
C5C4H27109.2°108.3°
C5C4H28109.2°110.3°
C26C25C30118.2°118.8°
C25C26H43120.7°118.5°
C25C30H44109.5°109.5°
C25C30H45109.4°109.5°
C25C30H46109.5°109.5°
C29C13C12121.3°119.4°
C13C29H10120.0°120.0°
C13C29H11120.0°120.0°
C13C12C11113.2°110.5°
C13C12H13108.5°108.7°
C13C12H14108.5°108.7°
C6C5O9113.9°111.2°
C5C6C7118.9°121.4°
C5C6H25120.5°119.3°
C6C5H26109.2°108.5°
C5O9C9114.6°116.0°
O9C5H26108.6°110.2°
C6C7C8123.5°123.0°
C6C7H24118.2°118.4°
C7C6H25120.5°119.3°
C12C11C10111.3°110.0°
C12C11C28109.7°109.5°
C11C12H13108.5°109.8°
C11C12H14108.5°109.6°
C12C11H15108.8°110.4°
C7C8C9114.7°112.5°
C7C8H22108.2°108.9°
C7C8H23108.1°108.8°
C8C7H24118.3°118.6°
O9C9C10108.8°111.2°
O9C9C8107.1°109.5°
O9C9H21111.4°108.6°
C11C10C9110.3°109.6°
C10C11C28109.1°109.6°
C10C11H15109.1°108.7°
C11C10H19109.3°109.9°
C11C10H20109.3°109.0°
C10C9C8109.0°110.4°
C9C10H19109.3°109.9°
C9C10H20109.3°109.3°
C10C9H21110.4°108.6°
C28C11H15108.9°108.7°
C11C28H16109.5°109.5°
C11C28H17109.5°109.5°
C11C28H18109.5°109.5°
C8C9H21110.1°108.5°
C9C8H22108.1°108.8°
C9C8H23108.1°108.8°
H1C18H2109.5°109.7°
H7C14H8109.5°107.8°
H10C29H11120.0°120.0°
H13C12H14109.5°109.6°
H16C28H17109.5°109.5°
H16C28H18109.5°109.4°
H17C28H18109.5°109.5°
H19C10H20109.5°109.1°
H22C8H23109.5°108.9°
H27C4H28109.5°109.2°
H39C24H40109.5°109.4°
H41C27H42109.5°109.3°
H44C30H45109.5°109.5°
H44C30H46109.5°109.5°
H45C30H46109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O20C20C19C1876.7°55.0°
O20C20C19O1942.8°64.7°
O20C20C19C21120.3°120.0°
O20C20C19H32121.3°120.0°
O20C20C21H32120.9°120.1°
O20C20C21C2218.4°120.0°
O20C20C19H31164.0°175.3°
O20C20C21H34161.6°59.9°
O16C16C17C18105.9°105.9°
O16C16C17C15106.0°104.8°
O16C16C17H4108.6°106.3°
O16C16C15H4148.9°144.9°
O16C16C15O1538.8°71.7°
O16C16C15C14158.5°164.4°
C16O16C17H3106.8°107.1°
O16C16C15H582.2°46.0°
O16C17C18H3149.3°145.9°
O16C17C18C19143.5°179.3°
O16C17C18H196.5°60.8°
O16C17C18H223.6°59.0°
C17C18C19H1120.0°119.6°
C17C18C19H2120.0°120.1°
C17C18C19O1986.7°149.0°
C17C18C19C20152.9°91.5°
C18C17C16H3145.1°146.7°
C18C17C16C15148.1°149.3°
C17C18H1H2120.0°119.5°
C18C17C16H42.7°0.4°
C17C18C19H3133.9°28.1°
C18C19O19C20119.7°119.7°
C18C19O19H31119.9°120.9°
C18C19O19C1139.1°127.9°
C18C19C20H31119.2°120.3°
C18C19C20C21163.0°175.0°
C19C18C17C1678.0°112.9°
C19C18H1H2120.1°120.3°
C19C18C17H367.2°34.7°
C18C19C20H3244.5°65.0°
O19C19C20H31121.2°120.0°
O19C19C20C2177.4°55.3°
C19O19C1C2178.3°179.1°
C19O19C1O12.5°1.4°
O19C19C18H1153.3°91.4°
O19C19C18H233.2°28.9°
O19C19C20H32164.1°175.3°
C1O19C19C20101.1°112.4°
O19C1C2O1179.3°179.6°
O19C1C2C3180.0°175.0°
O19C1C2H300.0°3.8°
C1O19C19H3119.2°7.0°
C19C20C21H32118.4°120.0°
C19C20C21C22102.4°120.0°
C20C19C18H133.0°28.1°
C20C19C18H287.1°148.5°
C19C20O20H33180.0°60.0°
C19C20C21H3477.7°60.1°
C20C21C22H34180.0°179.9°
C20C21C22C23178.7°179.9°
C21C20C19H3143.7°64.7°
C21C20O20H3360.4°59.9°
C20C21C22H361.3°0.1°
C17C16C15H4145.6°149.4°
C17C16C15O1526.7°6.0°
C17C16C15C1492.9°129.9°
C16C17C18H1162.0°127.2°
C16C17C18H242.0°7.4°
C17C16C15H5147.8°111.7°
C16C15O15C14119.3°123.8°
C16C15O15H5120.2°117.8°
C16C15C14H5119.2°118.3°
C16C15C14C13174.0°55.7°
C15C16C17H33.0°2.6°
C16C15O15H6180.0°180.0°
C16C15C14H753.9°65.2°
C16C15C14H865.9°177.1°
C1C2C3H30180.0°178.8°
C1C2C3C41.2°1.0°
C1C2C3H29178.8°178.4°
C3C2C1O10.8°4.6°
C2C3C4H29180.0°179.4°
C2C3C4C5106.0°91.7°
C2C3C4H2714.2°150.1°
C2C3C4H28133.8°30.0°
C21C22C23H36180.0°180.0°
C21C22C23O27127.4°6.1°
C21C22C23C24113.2°124.9°
C22C21C20H32139.2°0.1°
C21C22C23H385.9°114.5°
C22C23O27C24120.8°119.7°
C22C23O27H38120.9°120.5°
C22C23O27C27178.6°172.1°
C22C23C24H38119.2°120.6°
C22C23C24C25159.8°167.6°
C23C22C21H341.3°0.0°
C22C23C24H3939.0°47.5°
C22C23C24H4079.5°72.4°
O1C1C2H30179.2°176.6°
O15C15C14H5121.2°118.1°
O15C15C14C1354.4°67.9°
O15C15C16H4172.3°143.4°
O15C15C14H765.7°171.2°
O15C15C14H8174.5°53.5°
C15C14C13H7120.1°121.1°
C15C14C13H8120.1°121.4°
C15C14C13C2961.1°29.7°
C15C14C13C12119.1°150.0°
C14C15C16H452.6°19.5°
C14C15O15H660.6°56.3°
C15C14H7H8119.7°118.6°
O27C23C24H38119.2°119.7°
O27C23C24C2538.1°47.9°
C23O27C27C2654.1°50.1°
O27C23C22H3652.6°173.9°
O27C23C24H3982.6°72.2°
O27C23C24H40158.9°167.9°
C23O27C27H4166.5°70.1°
C23O27C27H42174.8°170.4°
C27O27C23C2460.6°68.2°
O27C27C26H41120.6°120.1°
O27C27C26H42120.6°120.3°
O27C27C26C2522.2°15.5°
C27O27C23H3857.7°51.6°
O27C27H41H42118.0°119.6°
O27C27C26H43157.9°164.5°
C3C4C5H27120.2°118.7°
C3C4C5H28120.1°121.9°
C3C4C5C675.5°83.1°
C3C4C5O9160.0°155.1°
C3C4C5H2642.9°34.8°
C3C4H27H28119.5°120.9°
C4C3C2H30178.8°177.8°
C23C24C25H39120.7°120.1°
C23C24C25H40120.7°120.0°
C23C24C25C2610.3°16.7°
C23C24C25C30171.6°163.3°
C24C23C22H3666.9°55.0°
C23C24H39H40117.7°119.9°
C14C13C29C12179.8°179.7°
C14C13C12C11142.5°125.0°
C13C14C15H566.8°174.0°
C13C14H7H8119.7°118.4°
C14C13C29H10179.8°0.0°
C14C13C29H110.2°179.9°
C14C13C12H1397.0°114.4°
C14C13C12H1421.9°4.8°
C24C25C26C271.6°0.4°
C24C25C26C30178.1°180.0°
C25C24C23H3881.0°71.8°
C25C24H39H40117.8°120.0°
C24C25C26H43178.4°179.6°
C24C25C30H44180.0°90.0°
C24C25C30H4560.0°150.0°
C24C25C30H4660.0°30.0°
C27C26C25H43180.0°180.0°
C27C26C25C30179.7°179.6°
C26C27H41H42118.1°119.7°
C4C5C6O9121.1°120.8°
C4C5C6H26117.3°117.8°
C4C5O9H26116.5°119.2°
C4C5C6C7140.0°137.8°
C4C5O9C9172.4°169.2°
C4C5C6H2540.0°42.4°
C5C4H27H28119.5°120.1°
C5C4C3H2974.0°87.8°
C26C25C24H39110.4°103.4°
C26C25C24H40131.0°136.6°
C25C26C27H4198.5°104.6°
C25C26C27H42142.8°135.8°
C26C25C30H441.8°90.0°
C26C25C30H45118.2°30.0°
C26C25C30H46121.8°150.0°
C30C25C24H3967.6°76.6°
C30C25C24H4050.9°43.4°
C30C25C26H430.3°0.4°
C25C30H44H45120.0°120.0°
C25C30H44H46120.0°120.0°
C25C30H45H46120.0°120.0°
C29C13C12C1137.3°55.3°
C29C13C14H7178.8°150.8°
C29C13C14H859.0°91.7°
C13C29H10H11180.0°179.9°
C29C13C12H1383.3°65.3°
C29C13C12H14157.8°175.5°
C13C12C11H13120.6°119.9°
C13C12C11H14120.5°119.7°
C13C12C11C1047.4°141.9°
C13C12C11C2873.5°97.7°
C12C13C14H71.0°28.9°
C12C13C14H8120.8°88.6°
C12C13C29H100.0°179.7°
C12C13C29H11180.0°0.3°
C13C12H13H14118.3°118.6°
C13C12C11H15167.5°21.9°
C6C5O9H26121.9°120.4°
C5C6C7H25180.0°179.8°
C5C6C7C81.7°0.4°
C6C5O9C950.7°48.8°
C5C6C7H24178.3°179.7°
C6C5C4H27164.3°35.6°
C6C5C4H2844.7°155.0°
O9C5C6C718.9°17.0°
C5O9C9C1057.8°61.4°
C5O9C9C859.9°60.8°
C5O9C9H21179.7°179.2°
O9C5C6H25161.1°163.2°
O9C5C4H2739.8°86.2°
O9C5C4H2879.8°33.2°
C6C7C8H24180.0°180.0°
C6C7C8C913.2°11.9°
C6C7C8H22107.5°132.6°
C6C7C8H23134.0°108.7°
C7C6C5H26102.7°104.4°
C12C11C10C28121.2°120.4°
C12C11C10H15120.0°120.9°
C12C11C10C9104.0°141.5°
C12C11C28H15118.9°120.6°
C11C12H13H14118.3°120.4°
C12C11C28H16180.0°60.0°
C12C11C28H1760.0°180.0°
C12C11C28H1860.0°60.0°
C12C11C10H1916.1°20.6°
C12C11C10H20135.9°98.9°
C7C8C9O940.2°39.5°
C7C8C9C1077.3°83.2°
C7C8C9H22120.8°120.8°
C7C8C9H23120.8°120.7°
C7C8C9H21161.5°157.9°
C7C8H22H23117.6°118.6°
C8C7C6H25178.3°179.9°
O9C9C10C1191.3°84.7°
O9C9C10C8116.5°121.7°
O9C9C10H21122.5°119.4°
O9C9C8H21121.3°118.4°
O9C9C10H1928.8°36.2°
O9C9C10H20148.6°155.9°
O9C9C8H2280.6°160.3°
O9C9C8H23161.0°81.2°
C9O9C5H2671.2°71.6°
C11C10C9H19120.1°120.9°
C11C10C9H20120.1°119.4°
C10C11C28H15118.9°118.7°
C11C10C9C8152.2°153.5°
C10C11C12H13167.9°22.0°
C10C11C12H1473.2°98.4°
C10C11C28H1657.9°179.4°
C10C11C28H1762.1°59.4°
C10C11C28H18177.9°60.6°
C11C10H19H20119.7°119.5°
C11C10C9H2131.2°34.7°
C9C10C11C28134.8°98.1°
C10C9C8H21121.2°118.9°
C9C10C11H1516.0°20.6°
C9C10H19H20119.6°119.8°
C10C9C8H22161.9°37.5°
C10C9C8H2343.4°156.1°
C28C11C12H1347.1°142.4°
C28C11C12H14166.0°22.0°
C11C28H16H17120.0°120.0°
C11C28H16H18120.0°120.0°
C11C28H17H18120.0°120.0°
C28C11C10H19105.1°141.0°
C28C11C10H2014.7°21.5°
C8C9C10H1987.7°85.6°
C8C9C10H2032.1°34.1°
C9C8H22H23117.6°118.5°
C9C8C7H24166.8°168.1°
H1C18C17H352.8°85.2°
H1C18C19H3186.1°147.8°
H2C18C17H3172.8°155.0°
H2C18C19H31153.8°91.9°
H3C17C16H4142.4°146.3°
H4C16C15H566.7°98.9°
H5C15O15H659.8°62.1°
H5C15C14H7173.1°53.1°
H5C15C14H853.3°64.6°
H13C12C11H1571.9°98.0°
H14C12C11H1547.0°141.6°
H15C11C28H1661.0°60.7°
H15C11C28H17179.0°59.3°
H15C11C28H1859.0°179.4°
H15C11C10H19136.1°100.3°
H15C11C10H20104.1°140.2°
H16C28H17H18120.0°120.0°
H19C10C9H21151.3°155.6°
H20C10C9H2188.9°84.7°
H21C9C8H2240.7°81.3°
H21C9C8H2377.7°37.2°
H22C8C7H2472.5°47.4°
H23C8C7H2446.0°71.2°
H24C7C6H251.7°0.1°
H25C6C5H2677.3°75.4°
H26C5C4H2777.3°153.5°
H26C5C4H28163.0°87.1°
H27C4C3H29165.8°30.5°
H28C4C3H2946.1°150.5°
H29C3C2H301.2°2.8°
H31C19C20H3274.7°55.3°
H32C20O20H3359.6°180.0°
H32C20C21H3440.7°180.0°
H34C21C22H36178.7°180.0°
H36C22C23H38174.1°65.5°
H38C23C24H39158.2°168.0°
H38C23C24H4039.7°48.2°
H41C27C26H4381.5°75.4°
H42C27C26H4337.2°44.2°
H44C30H45H46120.0°120.0°

223532

PDB entries from 2024-08-07

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