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4I4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O9C8doub1.21Å1.25Å
C8N7sing1.35Å1.35Å
C8C10sing1.51Å1.50Å
N7C6sing1.47Å1.48Å
N7C3sing1.47Å1.45Å
C6C5sing1.55Å1.52Å
C5C4sing1.55Å1.53Å
C4C3sing1.54Å1.52Å
C3C1sing1.51Å1.52Å
C1N2doub1.29Å1.26Å
C1OXTsing1.35Å1.34Å
C10C25sing1.55Å1.54Å
C10N11sing1.47Å1.47Å
C25C24sing1.55Å1.51Å
C24N26sing1.47Å1.46Å
C24C23sing1.54Å1.53Å
N26N27doub1.12Å1.24Å
N27N28doub1.12Å1.31Å
C23N11sing1.47Å1.46Å
N11C12sing1.35Å1.34Å
C12O13doub1.21Å1.21Å
C12C14sing1.51Å1.53Å
C14C15sing1.53Å1.54Å
C15C16sing1.53Å1.53Å
C16C17sing1.51Å1.53Å
C17C22sing1.38Å1.39ÅAromatic
C17C18doub1.38Å1.39ÅAromatic
C22C21doub1.38Å1.40ÅAromatic
C21C20sing1.38Å1.40ÅAromatic
C20C19doub1.38Å1.40ÅAromatic
C19C18sing1.38Å1.41ÅAromatic
C10H10sing1.09Å1.10Å
C6H61Csing1.09Å1.10Å
C6H62Csing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C5H51Csing1.09Å1.10Å
C5H52Csing1.09Å1.10Å
C4H41Csing1.09Å1.10Å
C4H42Csing1.09Å1.10Å
N2H21Nsing0.97Å1.00Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
N28H28sing0.97Å1.00Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C22H22sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O9C8N7123.5°120.0°
O9C8C10121.0°120.0°
N7C8C10115.5°120.0°
C8N7C6128.0°125.7°
C8N7C3120.1°125.6°
C8C10C25111.4°110.4°
C8C10N11115.3°110.4°
C8C10H10108.6°110.3°
C6N7C3111.8°108.7°
N7C6C5104.6°104.8°
N7C6H61C110.7°110.4°
N7C6H62C110.7°110.4°
N7C3C4103.2°107.3°
N7C3C1111.6°109.9°
N7C3H3111.6°109.9°
C6C5C4104.6°101.6°
C5C6H61C110.7°110.4°
C5C6H62C110.7°110.4°
C6C5H51C110.7°111.0°
C6C5H52C110.7°111.0°
C5C4C3104.5°103.0°
C4C5H51C110.7°111.1°
C4C5H52C110.7°111.0°
C5C4H41C110.7°110.7°
C5C4H42C110.7°110.8°
C4C3C1109.0°109.9°
C4C3H3110.6°109.8°
C3C4H41C110.7°110.8°
C3C4H42C110.7°110.5°
C3C1N2122.1°120.0°
C3C1OXT115.0°120.0°
C1C3H3110.6°110.0°
N2C1OXT120.4°120.0°
C1N2H21N112.0°120.0°
C1OXTHXT109.5°113.9°
C25C10N11104.3°104.8°
C10C25C24104.7°101.6°
C25C10H10108.1°110.4°
C10C25H251110.6°111.0°
C10C25H252110.7°111.0°
C10N11C23113.1°108.8°
C10N11C12120.9°125.6°
N11C10H10109.0°110.4°
C25C24N26105.0°110.7°
C25C24C23106.7°102.9°
C24C25H251110.6°111.1°
C24C25H252110.6°111.0°
C25C24H24113.0°110.7°
N26C24C23104.7°110.7°
C24N26N27121.7°120.0°
N26C24H24113.9°110.6°
C24C23N11103.9°107.3°
C23C24H24112.8°110.9°
C24C23H231110.8°109.9°
C24C23H232110.9°109.8°
N26N27N28179.5°180.0°
N27N28H28112.0°120.0°
C23N11C12126.0°125.6°
N11C23H231110.8°109.9°
N11C23H232110.8°109.9°
N11C12O13122.6°120.0°
N11C12C14117.0°120.0°
O13C12C14120.4°120.0°
C12C14C15110.7°109.5°
C12C14H141109.2°109.5°
C12C14H142109.1°109.5°
C14C15C16112.4°109.4°
C15C14H141109.2°109.5°
C15C14H142109.2°109.4°
C14C15H151108.7°109.5°
C14C15H152108.7°109.5°
C15C16C17110.8°109.4°
C16C15H151108.7°109.4°
C16C15H152108.8°109.5°
C15C16H161109.1°109.5°
C15C16H162109.1°109.5°
C16C17C22120.7°120.0°
C16C17C18119.7°120.0°
C17C16H161109.1°109.5°
C17C16H162109.1°109.5°
C22C17C18119.6°120.0°
C17C22C21120.3°120.0°
C17C22H22119.9°120.0°
C17C18C19120.6°120.0°
C17C18H18119.7°120.0°
C22C21C20120.6°120.0°
C21C22H22119.8°120.1°
C22C21H21119.7°120.0°
C21C20C19119.1°120.0°
C20C21H21119.7°120.0°
C21C20H20120.5°120.0°
C20C19C18119.8°120.0°
C19C20H20120.4°120.0°
C20C19H19120.1°120.0°
C19C18H18119.7°120.0°
C18C19H19120.1°120.0°
H61CC6H62C109.5°110.4°
H51CC5H52C109.5°110.9°
H41CC4H42C109.5°110.8°
H251C25H252109.5°110.9°
H231C23H232109.5°110.0°
H141C14H142109.5°109.5°
H151C15H152109.5°109.5°
H161C16H162109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O9C8N7C10177.8°180.0°
O9C8N7C6178.2°180.0°
O9C8N7C33.6°0.3°
O9C8C10C2599.1°100.0°
O9C8C10N1119.5°15.4°
O9C8C10H10142.0°137.8°
C8N7C6C3178.3°179.7°
C8N7C6C5178.8°155.9°
C8N7C3C4159.1°178.9°
C8N7C3C184.0°61.6°
N7C8C10C2583.0°80.0°
N7C8C10N11158.4°164.6°
N7C8C10H1035.9°42.2°
C8N7C6H61C59.6°37.1°
C8N7C6H62C62.0°85.2°
C8N7C3H340.2°59.6°
C10C8N7C60.4°0.0°
C10C8N7C3178.5°179.7°
C8C10C25N11125.0°118.9°
C8C10C25H10119.2°122.3°
C8C10N11H10122.3°122.3°
C8C10C25C24101.9°155.9°
C8C10N11C23112.1°143.0°
C8C10N11C1268.6°37.1°
C8C10C25H25117.3°37.7°
C8C10C25H252138.9°86.1°
N7C6C5H61C119.2°118.8°
N7C6C5H62C119.2°118.9°
N7C6C5C417.9°37.1°
C6N7C3C422.5°1.4°
C6N7C3C194.4°118.1°
N7C6H61CH62C122.3°122.3°
C6N7C3H3141.4°120.7°
N7C6C5H51C137.1°81.1°
N7C6C5H52C101.3°155.1°
C3N7C6C52.9°24.4°
N7C3C4C532.9°21.9°
N7C3C4C1118.7°119.5°
N7C3C4H3119.5°119.4°
N7C3C1H3124.9°121.2°
N7C3C1N228.2°155.0°
N7C3C1OXT169.6°25.0°
C3N7C6H61C122.2°143.2°
C3N7C6H62C116.3°94.5°
N7C3C4H41C86.3°140.3°
N7C3C4H42C152.1°96.4°
C6C5C4H51C119.2°118.1°
C6C5C4H52C119.2°118.1°
C6C5C4C331.6°35.3°
C5C6H61CH62C122.3°122.3°
C6C5H51CH52C122.3°123.9°
C6C5C4H41C87.6°153.9°
C6C5C4H42C150.8°82.9°
C5C4C3H41C119.2°118.4°
C5C4C3H42C119.2°118.3°
C5C4C3C185.9°141.4°
C4C5C6H61C101.4°155.9°
C4C5C6H62C137.1°81.8°
C5C4C3H3152.4°97.5°
C4C5H51CH52C122.2°123.9°
C5C4H41CH42C122.3°123.3°
C4C3C1H3121.8°121.0°
C4C3C1N285.1°87.2°
C4C3C1OXT77.0°92.9°
C3C4C5H51C150.8°82.8°
C3C4C5H52C87.7°153.4°
C3C4H41CH42C122.3°123.1°
C3C1N2OXT161.2°179.9°
C1C3C4H41C154.9°100.2°
C1C3C4H42C33.3°23.0°
C3C1N2H21N161.2°180.0°
C3C1OXTHXT180.0°179.9°
N2C1C3H3153.1°33.8°
N2C1OXTHXT17.5°0.0°
OXTC1C3H344.8°146.1°
OXTC1N2H21N0.0°0.1°
C25C10N11H10115.2°118.8°
C10C25C24H251119.2°118.1°
C10C25C24H252119.2°118.1°
C10C25C24N2683.1°153.9°
C10C25C24C2327.7°35.5°
C25C10N11C2310.3°24.1°
C25C10N11C12168.9°156.0°
C10C25H251H252122.2°123.9°
C10C25C24H24152.2°83.0°
N11C10C25C2423.1°37.0°
C10N11C23C246.6°1.0°
C10N11C23C12179.2°179.9°
C10N11C12O131.6°0.1°
C10N11C12C14177.9°180.0°
N11C10C25H251142.3°81.1°
N11C10C25H25296.2°155.1°
C10N11C23H231125.7°120.5°
C10N11C23H232112.5°118.3°
C25C24N26C23112.2°113.5°
C25C24N26H24124.1°123.2°
C25C24C23H24124.6°118.5°
C25C24N26N2795.6°175.0°
C25C24C23N1121.3°22.2°
C24C25C10H10138.9°81.9°
C24C25H251H252122.2°123.9°
C25C24C23H231140.4°97.2°
C25C24C23H23297.8°141.6°
N26C24C23H24124.3°123.2°
C24N26N27N2812.5°93.4°
N26C24C23N1189.7°140.5°
N26C24C25H25136.1°35.7°
N26C24C25H252157.6°88.1°
N26C24C23H23129.4°21.1°
N26C24C23H232151.2°100.1°
C23C24N26N27152.2°71.5°
C24C23N11H231119.1°119.5°
C24C23N11H232119.1°119.4°
C24C23N11C12174.2°179.0°
C23C24C25H251146.9°82.6°
C23C24C25H25291.5°153.6°
C24C23H231H232122.6°121.0°
N27N26C24H2428.5°51.9°
N26N27N28H280.0°3.4°
C23N11C12O13179.2°180.0°
C23N11C12C141.3°0.1°
C23N11C10H10125.6°94.7°
N11C23C24H24145.9°96.2°
N11C23H231H232122.6°121.1°
N11C12O13C14179.5°180.0°
N11C12C14C15174.5°180.0°
C12N11C10H1053.7°85.2°
C12N11C23H23155.1°59.6°
C12N11C23H23266.7°61.6°
N11C12C14H14165.3°60.0°
N11C12C14H14254.3°60.0°
O13C12C14C155.0°0.0°
O13C12C14H141115.2°120.0°
O13C12C14H142125.2°119.9°
C12C14C15H141120.2°120.0°
C12C14C15H142120.2°120.0°
C12C14C15C16162.2°180.0°
C12C14H141H142119.4°120.0°
C12C14C15H15141.7°60.1°
C12C14C15H15277.4°60.0°
C14C15C16H151120.4°120.0°
C14C15C16H152120.4°120.0°
C14C15C16C1771.2°180.0°
C15C14H141H142119.5°120.0°
C14C15H151H152118.7°120.1°
C14C15C16H161168.6°60.0°
C14C15C16H16249.0°60.0°
C15C16C17H161120.2°120.0°
C15C16C17H162120.2°120.0°
C15C16C17C2256.9°90.0°
C15C16C17C18124.5°90.3°
C16C15C14H14177.7°60.0°
C16C15C14H14242.0°60.0°
C16C15H151H152118.7°120.0°
C15C16H161H162119.3°120.1°
C16C17C22C18178.6°179.7°
C16C17C22C21179.4°180.0°
C16C17C18C19179.9°179.9°
C17C16C15H15149.2°60.0°
C17C16C15H152168.4°60.0°
C17C16H161H162119.4°120.0°
C16C17C22H220.6°0.1°
C16C17C18H180.1°0.0°
C17C22C21H22180.0°180.0°
C17C22C21C202.0°0.0°
C22C17C18C191.3°0.2°
C22C17C16H16163.3°30.0°
C22C17C16H162177.1°150.0°
C22C17C18H18178.7°179.7°
C17C22C21H21178.0°180.0°
C18C17C22C212.0°0.3°
C17C18C19C200.6°0.1°
C17C18C19H18180.0°179.9°
C18C17C16H161115.3°149.7°
C18C17C16H1624.3°29.7°
C18C17C22H22178.0°179.8°
C17C18C19H19179.4°180.0°
C22C21C20H21180.0°180.0°
C22C21C20C191.4°0.3°
C22C21C20H20178.6°180.0°
C21C20C19H20180.0°179.8°
C21C20C19C180.7°0.3°
C20C21C22H22178.0°180.0°
C21C20C19H19179.3°179.8°
C20C19C18H19180.0°179.9°
C20C19C18H18179.3°180.0°
C19C20C21H21178.6°179.7°
C18C19C20H20179.3°179.9°
H10C10C25H251101.8°160.0°
H10C10C25H25219.7°36.2°
H61CC6C5H51C17.9°37.7°
H61CC6C5H52C139.4°86.0°
H62CC6C5H51C103.7°160.0°
H62CC6C5H52C17.9°36.2°
H3C3C4H41C33.2°20.9°
H3C3C4H42C88.4°144.1°
H51CC5C4H41C31.6°35.7°
H51CC5C4H42C90.0°159.0°
H52CC5C4H41C153.1°88.1°
H52CC5C4H42C31.6°35.2°
H251C25C24H2488.6°158.8°
H252C25C24H2433.0°35.0°
H24C24C23H23195.0°144.3°
H24C24C23H23226.8°23.2°
H141C14C15H151161.9°60.0°
H141C14C15H15242.8°180.0°
H142C14C15H15178.4°180.0°
H142C14C15H152162.4°60.0°
H151C15C16H16171.0°180.0°
H151C15C16H162169.4°60.0°
H152C15C16H16148.1°60.0°
H152C15C16H16271.4°180.0°
H22C22C21H212.1°0.0°
H18C18C19H190.7°0.1°
H21C21C20H201.4°0.0°
H20C20C19H190.7°0.0°

222926

PDB entries from 2024-07-24

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