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U66

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.43Å1.44ÅAromatic
CC2sing1.42Å1.45ÅAromatic
CC3doub1.42Å1.40ÅAromatic
C1Nsing1.42Å1.44Å
C1C4doub1.41Å1.43ÅAromatic
C2C5doub1.41Å1.43ÅAromatic
C2C6sing1.40Å1.42ÅAromatic
C3C7sing1.40Å1.43ÅAromatic
C3H31sing1.09Å1.10Å
NC8sing1.41Å1.41Å
NC9sing1.45Å1.45Å
C4C10sing1.39Å1.42ÅAromatic
C4H41sing1.09Å1.10Å
C5C11sing1.39Å1.43ÅAromatic
C5H51sing1.09Å1.10Å
C6C10doub1.39Å1.42ÅAromatic
C6H61sing1.09Å1.10Å
C7C11doub1.39Å1.42ÅAromatic
C7Osing1.37Å1.42Å
C8C12sing1.52Å1.55Å
C8O13doub1.22Å1.22Å
C9C14sing1.52Å1.52Å
C9H91sing1.09Å1.11Å
C9H92sing1.10Å1.11Å
C10H101sing1.09Å1.10Å
C11H111sing1.08Å1.10Å
OC15sing1.44Å1.43Å
C12C14sing1.53Å1.54Å
C12N16sing1.46Å1.49Å
C12H121sing1.09Å1.11Å
C14H141sing1.09Å1.12Å
C14H142sing1.10Å1.12Å
C15C17sing1.54Å1.46Å
C15C18sing1.54Å1.42Å
C15H151sing1.10Å1.12Å
N16C19sing1.47Å1.49Å
N16H161sing1.02Å1.02Å
C17C20sing1.54Å1.42Å
C17C21sing1.48Å1.45Å
C17H117sing1.10Å1.12Å
C18C22sing1.51Å1.43Å
C18H181sing1.10Å1.11Å
C18H182sing1.10Å1.12Å
C19C23sing1.54Å1.52Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.12Å
C20C24sing1.50Å1.42Å
C20H201sing1.10Å1.11Å
C20H202sing1.10Å1.12Å
C21N25trip1.16Å1.16Å
C22C24doub1.34Å1.42Å
C22C26sing1.51Å1.51Å
C23C27sing1.54Å1.50Å
C23H231sing1.10Å1.12Å
C23H232sing1.10Å1.12Å
C24H241sing1.09Å1.10Å
C26N28sing1.45Å1.46Å
C26H261sing1.10Å1.12Å
C26H262sing1.10Å1.11Å
C27N28sing1.46Å1.38ÅAromatic
C27C29doub1.54Å1.37ÅAromatic
N28C30sing1.46Å1.37ÅAromatic
C29NZsing1.45Å1.37ÅAromatic
C29H291sing1.10Å1.12Å
C30NZdoub1.45Å1.32ÅAromatic
C30H301sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1CC2120.5°118.7°
C1CC3122.9°124.7°
CC1N121.8°122.7°
CC1C4118.4°119.3°
C2CC3116.6°116.5°
CC2C5120.6°120.6°
CC2C6119.3°120.0°
CC3C7123.9°121.8°
CC3H31117.1°120.7°
NC1C4119.8°118.0°
C1NC8126.6°125.4°
C1NC9122.5°122.7°
C1C4C10120.7°121.0°
C1C4H41119.7°121.4°
C5C2C6120.1°119.3°
C2C5C11120.5°121.2°
C2C5H51120.0°120.4°
C2C6C10120.3°120.8°
C2C6H61119.9°120.7°
C7C3H31119.0°117.5°
C3C7C11119.0°120.7°
C3C7O122.7°119.7°
C8NC9110.8°111.8°
NC8C12107.9°107.5°
NC8O13127.2°128.7°
NC9C14103.2°103.6°
NC9H91114.6°113.3°
NC9H92114.6°108.2°
C10C4H41119.6°117.4°
C4C10C6120.8°120.0°
C4C10H101119.9°120.0°
C11C5H51119.5°118.3°
C5C11C7119.3°118.9°
C5C11H111120.6°120.1°
C10C6H61119.8°118.6°
C6C10H101119.3°120.0°
C11C7O118.2°119.5°
C7C11H111120.1°121.0°
C7OC15117.6°111.6°
C12C8O13124.7°123.8°
C8C12C14101.4°101.6°
C8C12N16112.7°109.1°
C8C12H121114.0°111.5°
C14C9H91114.6°110.7°
C14C9H92114.6°111.5°
C9C14C12103.7°104.3°
C9C14H141114.4°112.7°
C9C14H142114.4°109.3°
H91C9H9295.9°109.4°
OC15C17125.4°107.8°
OC15C18115.4°108.2°
OC15H15184.1°111.0°
C14C12N16113.0°111.4°
C14C12H121113.7°110.2°
C12C14H141114.4°114.1°
C12C14H142114.4°109.0°
N16C12H121102.6°112.5°
C12N16C19117.9°112.7°
C12N16H161109.1°108.7°
H141C14H14296.1°107.4°
C17C15C18119.1°112.1°
C17C15H15141.3°109.6°
C15C17C20118.8°111.4°
C15C17C21121.4°110.9°
C15C17H11783.8°108.8°
C18C15H151160.4°108.2°
C15C18C22121.1°114.4°
C15C18H181108.1°108.9°
C15C18H182108.1°109.2°
C19N16H161109.2°108.9°
N16C19C23112.4°109.7°
N16C19H191111.1°109.8°
N16C19H192111.1°109.7°
C20C17C21119.8°111.0°
C20C17H117156.8°107.1°
C17C20C24121.2°114.0°
C17C20H201108.1°110.2°
C17C20H202108.0°109.4°
C21C17H11737.9°107.5°
C17C21N25176.4°180.0°
C22C18H181108.0°109.1°
C22C18H182108.0°107.8°
C18C22C24118.9°122.0°
C18C22C26123.2°116.6°
H181C18H182101.9°107.2°
C23C19H191111.1°109.6°
C23C19H192111.1°109.6°
C19C23C27118.2°115.5°
C19C23H231109.1°109.1°
C19C23H232109.1°108.6°
H191C19H19299.2°108.5°
C24C20H201108.0°108.9°
C24C20H202108.0°107.5°
C20C24C22120.8°124.0°
C20C24H241119.6°116.3°
H201C20H202101.9°106.5°
C24C22C26117.9°121.4°
C22C24H241119.6°119.7°
C22C26N28113.8°110.7°
C22C26H261110.6°111.6°
C22C26H262110.6°108.5°
C27C23H231109.1°108.7°
C27C23H232109.1°108.0°
C23C27N28130.2°110.5°
C23C27C29126.2°114.7°
H231C23H232101.0°106.5°
N28C26H261110.6°109.3°
N28C26H262110.6°110.4°
C26N28C27129.8°120.6°
C26N28C30122.8°121.4°
H261C26H26299.6°106.3°
N28C27C29103.5°104.0°
C27N28C30107.4°111.0°
C27C29NZ113.3°104.2°
C27C29H291110.8°110.0°
N28C30NZ112.3°105.1°
N28C30H301111.2°111.4°
NZC29H291110.8°108.7°
C29NZC30103.5°110.7°
NZC30H301111.1°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1CC2C3179.9°176.9°
CC1NC4179.2°178.7°
C1CC2C5179.7°178.6°
C1CC2C60.2°2.4°
C1CC3C7179.3°180.0°
C1CC3H310.8°1.9°
CC1NC892.7°42.7°
CC1NC986.5°137.8°
CC1C4C100.0°3.9°
CC1C4H41180.0°180.0°
C2CC1N179.0°173.9°
C2CC1C40.2°4.8°
CC2C5C6179.9°179.0°
C2CC3C70.9°3.3°
C2CC3H31179.1°174.8°
CC2C5C110.3°2.1°
CC2C5H51179.6°178.7°
CC2C6C100.1°0.9°
CC2C6H61179.9°179.8°
C3CC1N1.1°9.5°
C3CC1C4179.7°171.8°
C3CC2C50.4°4.5°
C3CC2C6179.7°174.5°
CC3C7H31180.0°178.1°
CC3C7C110.6°0.4°
CC3C7O177.2°177.9°
C1NC8C9179.2°179.5°
NC1C4C10179.2°174.8°
NC1C4H410.7°1.2°
C1NC8C12173.3°174.5°
C1NC8O130.5°6.4°
C1NC9C14152.9°164.4°
C1NC9H9181.9°44.4°
C1NC9H9227.6°77.1°
C4C1NC888.1°136.0°
C4C1NC992.8°43.4°
C1C4C10H41180.0°176.2°
C1C4C10C60.2°0.5°
C1C4C10H101179.7°178.2°
C2C5C11H51180.0°179.2°
C5C2C6C10180.0°178.0°
C5C2C6H610.0°0.8°
C2C5C11C70.6°1.7°
C2C5C11H111179.4°179.9°
C2C6C10C40.3°1.9°
C6C2C5C11179.6°176.8°
C6C2C5H510.4°2.4°
C2C6C10H61180.0°178.9°
C2C6C10H101179.7°179.3°
C3C7C11C50.2°3.0°
C3C7C11O177.9°177.5°
C3C7C11H111179.8°178.8°
C3C7OC1517.8°87.1°
H31C3C7C11179.4°178.6°
H31C3C7O2.8°4.0°
NC8C12O13174.0°179.2°
C8NC9C1426.4°15.1°
C8NC9H9198.9°135.1°
C8NC9H92151.7°103.4°
NC8C12C1416.5°24.2°
NC8C12N16137.5°93.5°
NC8C12H121106.1°141.6°
C9NC8C126.0°6.0°
C9NC8O13179.7°173.1°
NC9C14H91125.3°121.7°
NC9C14H92125.3°116.1°
NC9H91H92120.5°120.8°
NC9C14C1235.8°29.8°
NC9C14H141161.1°154.1°
NC9C14H14289.5°86.6°
C4C10C6H101180.0°178.7°
C4C10C6H61179.7°179.2°
H41C4C10C6179.8°176.7°
H41C4C10H1010.3°2.0°
C5C11C7H111180.0°178.2°
C5C11C7O178.1°179.6°
H51C5C11C7179.4°177.5°
H51C5C11H1110.7°0.7°
H61C6C10H1010.3°0.5°
C11C7OC15160.0°95.5°
OC7C11H1111.9°1.4°
C7OC15C1761.8°122.2°
C7OC15C18118.0°116.4°
C7OC15H15163.6°2.2°
C8C12C14C931.6°32.8°
C8C12C14N16120.9°116.1°
C8C12C14H121122.7°118.3°
C8C12N16H121123.0°124.2°
C8C12C14H141156.9°156.2°
C8C12C14H14293.6°83.8°
C8C12N16C1952.0°74.3°
C8C12N16H16173.2°164.9°
O13C8C12C14157.5°155.0°
O13C8C12N1636.4°87.3°
O13C8C12H12179.9°37.6°
C14C9H91H92120.5°123.3°
C9C14C12H141125.3°123.4°
C9C14C12H142125.3°116.6°
C9C14C12N16152.5°83.3°
C9C14C12H12191.1°151.1°
C9C14H141H142120.3°120.4°
H91C9C14C1289.5°151.6°
H91C9C14H14135.8°84.1°
H91C9C14H142145.2°35.2°
H92C9C14C12161.1°86.3°
H92C9C14H14173.7°38.0°
H92C9C14H14235.8°157.3°
OC15C17C18179.8°118.9°
OC15C17H1512.7°120.9°
OC15C18H151175.2°120.3°
OC15C17C20179.1°64.4°
OC15C17C210.8°171.5°
OC15C17H1176.2°53.5°
OC15C18C22179.6°78.4°
OC15C18H18155.2°43.9°
OC15C18H18254.3°160.7°
C14C12N16H121122.8°124.4°
C12C14H141H142120.3°120.9°
C14C12N16C1962.2°174.3°
C14C12N16H161172.5°53.5°
N16C12C14H14182.2°40.1°
N16C12C14H14227.2°160.1°
C12N16C19H161125.2°120.7°
C12N16C19C23178.2°169.3°
C12N16C19H19152.9°70.3°
C12N16C19H19256.6°48.8°
H121C12C14H14134.1°85.5°
H121C12C14H142143.6°34.4°
H121C12N16C19175.0°50.0°
H121C12N16H16149.8°70.9°
C17C15C18H1515.0°121.0°
C15C17C20C21179.9°124.0°
C15C17C20H117166.5°118.9°
C15C17C21H1178.8°118.8°
C17C15C18C220.3°40.3°
C17C15C18H181125.0°162.6°
C17C15C18H182125.5°80.6°
C15C17C20C240.5°41.2°
C15C17C20H201124.8°164.0°
C15C17C20H202125.7°79.2°
C15C17C21N257.5°23.3°
C18C15C17C200.7°54.5°
C18C15C17C21179.4°69.6°
C18C15C17H117174.0°172.4°
C15C18C22H181125.3°122.2°
C15C18C22H182125.3°121.7°
C15C18H181H182113.7°118.1°
C15C18C22C240.5°12.9°
C15C18C22C26179.5°169.0°
H151C15C17C20178.2°174.7°
H151C15C17C211.9°50.6°
H151C15C17H1173.5°67.4°
H151C15C18C225.3°161.3°
H151C15C18H181120.0°76.5°
H151C15C18H182130.5°40.3°
N16C19C23H191125.3°120.6°
N16C19C23H192125.3°120.5°
N16C19H191H192117.0°119.9°
N16C19C23C27172.3°177.7°
N16C19C23H23147.1°54.8°
N16C19C23H23262.4°60.9°
H161N16C19C2356.6°48.6°
H161N16C19H191178.2°169.0°
H161N16C19H19268.7°71.9°
C20C17C21H117171.3°116.8°
C17C20C24H201125.3°123.5°
C17C20C24H202125.3°121.5°
C17C20H201H202113.7°118.6°
C20C17C21N25172.4°147.7°
C17C20C24C220.3°14.2°
C17C20C24H241179.7°165.8°
C21C17C20C24179.7°82.9°
C21C17C20H20155.1°39.9°
C21C17C20H20254.4°156.7°
H117C17C20C24166.0°160.1°
H117C17C20H20168.7°77.1°
H117C17C20H20240.8°39.7°
H117C17C21N2516.3°95.5°
C22C18H181H182113.6°116.5°
C18C22C24C200.7°0.6°
C18C22C24C26180.0°178.1°
C18C22C24H241179.2°179.5°
C18C22C26N2837.7°72.2°
C18C22C26H261162.9°165.8°
C18C22C26H26287.6°49.1°
H181C18C22C24125.7°135.1°
H181C18C22C2654.3°46.8°
H182C18C22C24124.8°108.8°
H182C18C22C2655.2°69.3°
C23C19H191H192117.0°119.6°
C19C23C27H231125.3°123.0°
C19C23C27H232125.3°121.8°
C19C23H231H232114.8°117.1°
C19C23C27N2877.1°65.4°
C19C23C27C29102.9°51.8°
H191C19C23C2762.4°57.1°
H191C19C23H231172.3°65.7°
H191C19C23H23262.8°178.6°
H192C19C23C2747.1°61.8°
H192C19C23H23178.2°175.4°
H192C19C23H232172.3°59.7°
C24C20H201H202113.6°115.7°
C20C24C22H241180.0°179.9°
C20C24C22C26179.2°177.5°
H201C20C24C22125.5°137.7°
H201C20C24H24154.4°42.3°
H202C20C24C22125.0°107.3°
H202C20C24H24155.0°72.8°
C24C22C26N28142.3°109.6°
C24C22C26H26117.1°12.4°
C24C22C26H26292.4°129.1°
C26C22C24H2410.8°2.5°
C22C26N28H261125.3°123.3°
C22C26N28H262125.3°120.2°
C22C26H261H262116.5°118.1°
C22C26N28C2775.1°145.9°
C22C26N28C30105.0°65.9°
C27C23H231H232114.8°116.1°
C23C27N28C260.1°97.7°
C23C27N28C29180.0°123.6°
C23C27N28C30179.8°111.1°
C23C27C29NZ179.8°100.2°
C23C27C29H29154.9°143.5°
H231C23C27N28157.6°57.6°
H231C23C27C2922.4°174.8°
H232C23C27N2848.1°172.8°
H232C23C27C29131.9°70.0°
N28C26H261H262116.5°119.2°
C26N28C27C30179.9°151.2°
C26N28C27C29179.9°138.7°
C26N28C30NZ179.9°151.6°
C26N28C30H30154.9°32.9°
H261C26N28C2750.2°90.8°
H261C26N28C30129.8°57.4°
H262C26N28C27159.6°25.8°
H262C26N28C3020.3°174.0°
N28C27C29NZ0.2°20.6°
N28C27C29H291125.1°95.7°
C27N28C30NZ0.2°0.7°
C27N28C30H301125.1°118.0°
C29C27N28C300.2°12.5°
C27C29NZH291125.3°117.3°
C27C29NZC300.1°22.4°
N28C30NZC290.1°14.9°
N28C30NZH301125.3°119.8°
C29NZC30H301125.2°104.9°
H291C29NZC30125.2°94.9°

226262

PDB entries from 2024-10-16

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