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BEP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.52Å
C1O1sing1.43Å1.42Å
C1H11sing1.09Å1.11Å
C1H12sing1.09Å1.11Å
C2C3sing1.53Å1.54Å
C2N2sing1.47Å1.45Å
C2H21sing1.09Å1.12Å
C3N3sing1.46Å1.47Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.12Å
O1C4sing1.43Å1.42Å
N2C8sing1.47Å1.45Å
N2C11sing1.48Å1.45Å
N3C12sing1.46Å1.45Å
N3C19sing1.40Å1.40Å
C4C5sing1.53Å1.53Å
C4H41sing1.09Å1.12Å
C4H42sing1.09Å1.11Å
C5C6sing1.53Å1.53Å
C5C7sing1.53Å1.53Å
C5H51sing1.09Å1.11Å
C6H61sing1.09Å1.11Å
C6H62sing1.09Å1.12Å
C6H63sing1.09Å1.11Å
C7H71sing1.09Å1.11Å
C7H72sing1.09Å1.12Å
C7H73sing1.09Å1.11Å
C8C9sing1.54Å1.53Å
C8H81sing1.09Å1.11Å
C8H82sing1.09Å1.11Å
C9C10sing1.55Å1.53Å
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.11Å
C10C11sing1.55Å1.53Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.11Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.11Å
C12C13sing1.51Å1.44Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.11Å
C13C14doub1.38Å1.40ÅAromatic
C13C18sing1.38Å1.39ÅAromatic
C14C15sing1.38Å1.39ÅAromatic
C14H141sing1.08Å1.10Å
C15C16doub1.38Å1.39ÅAromatic
C15H151sing1.08Å1.10Å
C16C17sing1.38Å1.39ÅAromatic
C16H161sing1.08Å1.10Å
C17C18doub1.38Å1.39ÅAromatic
C17H171sing1.08Å1.10Å
C18H181sing1.08Å1.10Å
C19C20doub1.39Å1.39ÅAromatic
C19C24sing1.39Å1.39ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C20H201sing1.08Å1.10Å
C21C22doub1.38Å1.39ÅAromatic
C21H211sing1.08Å1.10Å
C22C23sing1.38Å1.39ÅAromatic
C22H221sing1.08Å1.10Å
C23C24doub1.38Å1.39ÅAromatic
C23H231sing1.08Å1.10Å
C24H241sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1O1110.2°109.5°
C2C1H11111.9°109.5°
C2C1H12111.9°109.5°
C1C2C3111.7°109.5°
C1C2N2110.8°109.4°
C1C2H21106.9°109.5°
O1C1H11111.9°109.4°
O1C1H12111.9°109.5°
C1O1C4105.7°106.8°
H11C1H1298.5°109.4°
C3C2N2109.0°109.5°
C3C2H21108.7°109.5°
C2C3N3105.9°109.5°
C2C3H31113.6°109.5°
C2C3H32113.6°109.4°
N2C2H21109.7°109.5°
C2N2C8112.1°106.7°
C2N2C11111.6°106.7°
N3C3H31113.5°109.5°
N3C3H32113.5°109.5°
C3N3C12113.1°120.0°
C3N3C19106.1°120.0°
H31C3H3296.9°109.5°
O1C4C5109.7°109.5°
O1C4H41112.1°109.4°
O1C4H42112.1°109.5°
C8N2C1196.4°108.6°
N2C8C9101.6°107.2°
N2C8H81115.2°109.9°
N2C8H82115.2°109.9°
N2C11C10103.4°104.8°
N2C11H111114.5°110.3°
N2C11H112114.5°110.4°
C12N3C19108.5°120.0°
N3C12C13119.1°109.5°
N3C12H121108.8°109.5°
N3C12H122108.7°109.5°
N3C19C20120.5°120.1°
N3C19C24118.8°120.1°
C5C4H41112.1°109.5°
C5C4H42112.1°109.5°
C4C5C6111.3°109.5°
C4C5C7110.5°109.5°
C4C5H51107.7°109.5°
H41C4H4298.3°109.4°
C6C5C7110.1°109.4°
C6C5H51108.1°109.5°
C5C6H61111.3°109.5°
C5C6H62111.5°109.5°
C5C6H63111.5°109.5°
C7C5H51109.0°109.5°
C5C7H71110.5°109.5°
C5C7H72111.8°109.4°
C5C7H73111.8°109.5°
H61C6H62111.5°109.4°
H61C6H63111.5°109.5°
H62C6H6398.9°109.4°
H71C7H72111.8°109.5°
H71C7H73111.8°109.4°
H72C7H7398.7°109.5°
C9C8H81115.2°109.9°
C9C8H82115.2°109.8°
C8C9C10101.4°103.0°
C8C9H91115.3°110.7°
C8C9H92115.3°110.7°
H81C8H8295.3°110.0°
C10C9H91115.3°110.7°
C10C9H92115.3°110.7°
C9C10C11102.4°101.7°
C9C10H101114.9°110.9°
C9C10H102114.9°111.0°
H91C9H9295.2°110.8°
C11C10H101114.9°111.0°
C11C10H102114.9°111.0°
C10C11H111114.5°110.3°
C10C11H112114.6°110.4°
H101C10H10295.6°110.9°
H111C11H11295.9°110.4°
C13C12H121108.7°109.4°
C13C12H122108.7°109.5°
C12C13C14121.2°120.0°
C12C13C18119.7°120.0°
H121C12H122101.3°109.5°
C14C13C18119.1°120.0°
C13C14C15120.8°120.0°
C13C14H141119.9°120.0°
C13C18C17120.1°120.0°
C13C18H181120.1°120.0°
C15C14H141119.3°120.0°
C14C15C16119.7°120.0°
C14C15H151120.0°120.0°
C16C15H151120.2°120.0°
C15C16C17119.9°120.0°
C15C16H161120.0°120.0°
C17C16H161120.1°120.0°
C16C17C18120.3°120.0°
C16C17H171120.0°120.0°
C18C17H171119.7°120.0°
C17C18H181119.8°120.0°
C20C19C24120.7°119.8°
C19C20C21119.8°119.9°
C19C20H201120.0°120.0°
C19C24C23119.7°119.9°
C19C24H241120.3°120.0°
C21C20H201120.2°120.0°
C20C21C22119.2°120.1°
C20C21H211120.5°120.0°
C22C21H211120.2°119.9°
C21C22C23121.1°120.1°
C21C22H221119.4°119.9°
C23C22H221119.5°119.9°
C22C23C24119.5°120.1°
C22C23H231120.4°120.0°
C24C23H231120.2°119.9°
C23C24H241120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1O1H11125.2°120.0°
C2C1O1H12125.3°120.0°
C2C1H11H12117.9°120.0°
C1C2C3N2122.7°120.0°
C1C2C3H21117.7°120.0°
C1C2N2H21117.8°120.0°
C1C2C3N3170.5°180.0°
C1C2C3H3145.2°60.0°
C1C2C3H3264.3°60.0°
C2C1O1C4152.5°174.5°
C1C2N2C827.1°61.6°
C1C2N2C11134.0°54.3°
O1C1H11H12117.8°120.0°
O1C1C2C359.2°173.2°
O1C1C2N2179.1°66.8°
O1C1C2H2159.6°53.3°
C1O1C4C598.1°174.2°
C1O1C4H41136.6°65.9°
C1O1C4H4227.2°54.1°
H11C1C2C366.1°66.8°
H11C1C2N255.7°53.2°
H11C1C2H21175.2°173.2°
H11C1O1C427.2°65.4°
H12C1C2C3175.6°53.2°
H12C1C2N253.8°173.2°
H12C1C2H2165.7°66.8°
H12C1O1C482.3°54.5°
C3C2N2H21118.9°120.0°
C2C3N3H31125.3°120.0°
C2C3N3H32125.3°120.0°
C2C3H31H32119.5°120.0°
C3C2N2C8150.3°178.4°
C3C2N2C11102.7°65.6°
C2C3N3C12142.6°90.0°
C2C3N3C1998.6°90.0°
N2C2C3N347.8°60.0°
N2C2C3H3177.5°60.0°
N2C2C3H32173.0°180.0°
C2N2C8C11116.5°114.7°
C2N2C8C9173.6°115.7°
C2N2C8H8148.3°124.9°
C2N2C8H8261.1°3.7°
C2N2C11C10170.2°138.7°
C2N2C11H11164.5°20.0°
C2N2C11H11244.9°102.4°
H21C2C3N371.8°60.0°
H21C2C3H31162.9°180.0°
H21C2C3H3253.4°60.0°
H21C2N2C890.8°58.4°
H21C2N2C1116.2°174.4°
N3C3H31H32119.4°120.0°
C3N3C12C19117.5°180.0°
C3N3C12C1322.0°90.1°
C3N3C12H121147.2°150.0°
C3N3C12H122103.3°29.9°
C3N3C19C205.3°180.0°
C3N3C19C24175.1°0.2°
H31C3N3C1217.3°30.0°
H31C3N3C19136.2°150.0°
H32C3N3C1292.1°150.0°
H32C3N3C1926.7°30.0°
O1C4C5H41125.2°120.0°
O1C4C5H42125.3°120.1°
O1C4H41H42118.0°120.0°
O1C4C5C6119.9°176.2°
O1C4C5C7117.4°63.8°
O1C4C5H511.5°56.3°
N2C8C9H81125.2°119.5°
N2C8C9H82125.2°119.4°
N2C8H81H82121.0°121.1°
N2C8C9C1039.0°22.3°
N2C8C9H91164.3°140.7°
N2C8C9H9286.2°96.0°
C8N2C11C1053.3°24.0°
C8N2C11H111178.6°94.8°
C8N2C11H11272.0°142.9°
C11N2C8C957.1°0.9°
C11N2C8H8168.1°120.4°
C11N2C8H82177.6°118.4°
N2C11C10C929.0°37.0°
N2C11C10H111125.3°118.8°
N2C11C10H112125.3°118.9°
N2C11C10H101154.2°81.0°
N2C11C10H10296.3°155.1°
N2C11H111H112120.3°122.3°
N3C12C13H121125.3°120.0°
N3C12C13H122125.3°120.0°
N3C12H121H122114.4°120.0°
N3C12C13C1494.6°90.0°
N3C12C13C1885.3°90.3°
C12N3C19C20116.6°0.0°
C12N3C19C2463.0°179.8°
C19N3C12C1395.5°90.0°
C19N3C12H12129.8°30.0°
C19N3C12H122139.3°150.0°
N3C19C20C24179.6°179.8°
N3C19C20C21179.6°180.0°
N3C19C20H2010.5°0.1°
N3C19C24C23178.8°179.8°
N3C19C24H2411.2°0.2°
C5C4H41H42118.1°120.0°
C4C5C6C7122.9°120.0°
C4C5C6H51118.1°120.0°
C4C5C7H51118.2°120.0°
C4C5C6H61180.0°180.0°
C4C5C6H6254.8°60.0°
C4C5C6H6354.7°60.0°
C4C5C7H71180.0°64.5°
C4C5C7H7254.8°55.5°
C4C5C7H7354.7°175.5°
H41C4C5C65.3°63.8°
H41C4C5C7117.3°56.2°
H41C4C5H51123.7°176.2°
H42C4C5C6114.8°56.2°
H42C4C5C77.8°176.1°
H42C4C5H51126.8°63.8°
C6C5C7H51118.5°120.0°
C5C6H61H62125.2°120.0°
C5C6H61H63125.3°120.1°
C5C6H62H63117.4°120.0°
C6C5C7H7156.6°55.5°
C6C5C7H7268.6°175.4°
C6C5C7H73178.1°64.6°
C7C5C6H6157.1°60.0°
C7C5C6H62177.7°180.0°
C7C5C6H6368.2°60.0°
C5C7H71H72125.2°120.0°
C5C7H71H73125.2°120.1°
C5C7H72H73117.7°120.1°
H51C5C6H6161.9°60.0°
H51C5C6H6263.3°60.0°
H51C5C6H63172.8°179.9°
H51C5C7H7161.9°175.4°
H51C5C7H72172.9°64.6°
H51C5C7H7363.4°55.4°
H61C6H62H63117.4°119.9°
H71C7H72H73117.8°119.9°
C9C8H81H82121.1°121.1°
C8C9C10H91125.2°118.4°
C8C9C10H92125.2°118.4°
C8C9H91H92121.1°123.2°
C8C9C10C115.9°35.6°
C8C9C10H101119.3°82.4°
C8C9C10H102131.1°153.8°
H81C8C9C1086.2°97.2°
H81C8C9H9139.1°21.2°
H81C8C9H92148.5°144.5°
H82C8C9C10164.3°141.7°
H82C8C9H9170.5°99.9°
H82C8C9H9239.0°23.3°
C10C9H91H92121.2°123.2°
C9C10C11H101125.3°118.0°
C9C10C11H102125.3°118.1°
C9C10H101H102120.8°123.9°
C9C10C11H111154.2°81.8°
C9C10C11H11296.3°155.9°
H91C9C10C11131.2°154.0°
H91C9C10H1015.9°36.0°
H91C9C10H102103.6°87.9°
H92C9C10C11119.3°82.8°
H92C9C10H101115.4°159.2°
H92C9C10H1025.9°35.4°
C11C10H101H102120.7°123.9°
C10C11H111H112120.4°122.3°
H101C10C11H11180.5°160.2°
H101C10C11H11229.0°37.9°
H102C10C11H11129.0°36.3°
H102C10C11H112138.4°86.0°
C13C12H121H122114.4°119.9°
C12C13C14C18179.9°179.7°
C12C13C14C15179.4°179.9°
C12C13C14H1410.7°0.1°
C12C13C18C17179.3°179.7°
C12C13C18H1810.7°0.3°
H121C12C13C14140.1°30.1°
H121C12C13C1840.0°149.7°
H122C12C13C1430.7°150.0°
H122C12C13C18149.4°29.7°
C13C14C15H141180.0°179.9°
C13C14C15C162.3°0.1°
C13C14C15H151177.7°180.0°
C14C13C18C170.8°0.5°
C14C13C18H181179.2°180.0°
C18C13C14C150.6°0.2°
C18C13C14H141179.4°179.7°
C13C18C17C160.4°0.5°
C13C18C17H181180.0°179.5°
C13C18C17H171179.6°179.7°
C14C15C16H151180.0°179.9°
C14C15C16C172.7°0.1°
C14C15C16H161177.2°179.9°
H141C14C15C16177.7°180.0°
H141C14C15H1512.3°0.1°
C15C16C17H161180.0°180.0°
C15C16C17C181.4°0.2°
C15C16C17H171178.6°180.0°
H151C15C16C17177.3°180.0°
H151C15C16H1612.8°0.0°
C16C17C18H171180.0°179.8°
C16C17C18H181179.6°180.0°
H161C16C17C18178.6°179.8°
H161C16C17H1711.4°0.0°
H171C17C18H1810.4°0.2°
C19C20C21H201179.9°179.9°
C19C20C21C220.0°0.0°
C19C20C21H211179.9°180.0°
C20C19C24C231.6°0.5°
C20C19C24H241178.4°179.9°
C24C19C20C210.8°0.2°
C24C19C20H201179.1°179.9°
C19C24C23C221.5°0.4°
C19C24C23H241180.0°179.6°
C19C24C23H231178.5°179.8°
C20C21C22H211179.9°180.0°
C20C21C22C230.0°0.0°
C20C21C22H221180.0°179.9°
H201C20C21C22180.0°179.9°
H201C20C21H2110.0°0.1°
C21C22C23H221180.0°179.9°
C21C22C23C240.7°0.2°
C21C22C23H231179.3°180.0°
H211C21C22C23179.9°180.0°
H211C21C22H2210.1°0.1°
C22C23C24H231180.0°179.8°
C22C23C24H241178.4°180.0°
H221C22C23C24179.2°179.7°
H221C22C23H2310.7°0.1°
H231C23C24H2411.5°0.1°

223532

PDB entries from 2024-08-07

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