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SB1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.34Å1.34Å
N1C21sing1.47Å1.45Å
N1C25sing1.47Å1.46Å
C2O2doub1.21Å1.23Å
C2C3sing1.49Å1.51Å
C3O3doub1.21Å1.22Å
C3C4sing1.51Å1.53Å
C4C5sing1.53Å1.52Å
C4C26sing1.53Å1.55Å
C4C27sing1.53Å1.55Å
C5O6sing1.45Å1.45Å
C5H51sing1.09Å1.12Å
C5H52sing1.09Å1.12Å
O6C7sing1.34Å1.32Å
C7O7doub1.21Å1.23Å
C7C8sing1.51Å1.52Å
C8C9sing1.53Å1.51Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.12Å
C9C10sing1.53Å1.53Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.12Å
C10C11sing1.53Å1.53Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.12Å
C11C12sing1.53Å1.54Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.11Å
C12C13sing1.53Å1.55Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.12Å
C13C14sing1.53Å1.50Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.12Å
C14C15sing1.53Å1.52Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.12Å
C15C16sing1.53Å1.51Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.11Å
C16C17sing1.53Å1.52Å
C16H161sing1.09Å1.11Å
C16H162sing1.09Å1.12Å
C17C18sing1.53Å1.51Å
C17H171sing1.09Å1.12Å
C17H172sing1.09Å1.11Å
C18O19sing1.45Å1.43Å
C18H181sing1.09Å1.11Å
C18H182sing1.09Å1.12Å
O19C20sing1.34Å1.31Å
C20O20doub1.21Å1.22Å
C20C21sing1.50Å1.51Å
C21C22sing1.53Å1.52Å
C21H21sing1.09Å1.12Å
C22C23sing1.53Å1.50Å
C22H221sing1.09Å1.11Å
C22H222sing1.09Å1.12Å
C23C24sing1.53Å1.51Å
C23H231sing1.09Å1.11Å
C23H232sing1.09Å1.11Å
C24C25sing1.53Å1.49Å
C24H241sing1.09Å1.12Å
C24H242sing1.09Å1.11Å
C25H251sing1.08Å1.11Å
C25H252sing1.09Å1.12Å
C26H261sing1.09Å1.11Å
C26H262sing1.09Å1.11Å
C26H263sing1.09Å1.11Å
C27H271sing1.09Å1.11Å
C27H272sing1.09Å1.12Å
C27H273sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C21120.2°122.0°
C2N1C25122.3°121.4°
N1C2O2119.5°120.2°
N1C2C3123.2°121.0°
C21N1C25115.8°116.6°
N1C21C20114.4°111.0°
N1C21C22107.0°108.5°
N1C21H21108.5°109.1°
N1C25C24105.4°108.4°
N1C25H251113.7°110.7°
N1C25H252113.7°108.9°
O2C2C3117.4°118.8°
C2C3O3117.7°120.1°
C2C3C4120.8°120.9°
O3C3C4121.4°119.0°
C3C4C5111.2°110.4°
C3C4C26113.0°109.1°
C3C4C27114.2°109.7°
C5C4C26107.8°109.0°
C5C4C27106.5°109.6°
C4C5O6108.4°109.5°
C4C5H51112.6°109.1°
C4C5H52112.6°110.2°
C26C4C27103.6°109.0°
C4C26H261113.0°109.4°
C4C26H262110.9°109.4°
C4C26H263110.9°109.5°
C4C27H271114.2°109.4°
C4C27H272110.5°109.5°
C4C27H273110.5°109.4°
O6C5H51112.7°109.1°
O6C5H52112.6°109.8°
C5O6C7117.1°120.5°
H51C5H5297.8°109.1°
O6C7O7119.9°120.1°
O6C7C8121.1°120.0°
O7C7C8119.0°119.9°
C7C8C9117.2°109.8°
C7C8H81109.4°109.4°
C7C8H82109.4°109.4°
C9C8H81109.5°109.5°
C9C8H82109.5°109.4°
C8C9C10106.7°109.6°
C8C9H91113.2°109.5°
C8C9H92113.2°109.6°
H81C8H82100.7°109.3°
C10C9H91113.3°109.3°
C10C9H92113.3°109.5°
C9C10C11113.5°109.6°
C9C10H101110.7°109.4°
C9C10H102110.7°109.4°
H91C9H9297.2°109.4°
C11C10H101110.8°109.5°
C11C10H102110.8°109.4°
C10C11C12114.3°109.5°
C10C11H111110.4°109.5°
C10C11H112110.4°109.4°
H101C10H10299.5°109.5°
C12C11H111110.4°109.4°
C12C11H112110.5°109.6°
C11C12C13108.7°109.6°
C11C12H121112.5°109.5°
C11C12H122112.5°109.4°
H111C11H11299.9°109.4°
C13C12H121112.5°109.4°
C13C12H122112.5°109.5°
C12C13C14114.4°109.5°
C12C13H131110.4°109.4°
C12C13H132110.4°109.6°
H121C12H12297.9°109.4°
C14C13H131110.4°109.4°
C14C13H132110.4°109.5°
C13C14C15109.4°109.6°
C13C14H141112.2°109.4°
C13C14H142112.2°109.4°
H131C13H13299.8°109.4°
C15C14H141112.3°109.5°
C15C14H142112.3°109.5°
C14C15C16111.4°109.5°
C14C15H151111.5°109.4°
C14C15H152111.5°109.5°
H141C14H14298.2°109.5°
C16C15H151111.5°109.4°
C16C15H152111.5°109.7°
C15C16C17114.9°109.8°
C15C16H161110.3°109.4°
C15C16H162110.3°109.4°
H151C15H15298.9°109.4°
C17C16H161110.2°109.5°
C17C16H162110.2°109.5°
C16C17C18108.1°109.6°
C16C17H171112.8°109.4°
C16C17H172112.7°109.7°
H161C16H162100.1°109.3°
C18C17H171112.7°109.4°
C18C17H172112.7°109.4°
C17C18O19102.1°109.7°
C17C18H181115.0°109.5°
C17C18H182115.0°109.3°
H171C17H17297.6°109.4°
O19C18H181115.0°109.6°
O19C18H182115.0°109.4°
C18O19C20121.1°120.1°
H181C18H18295.4°109.4°
O19C20O20123.0°119.6°
O19C20C21117.6°120.4°
O20C20C21119.4°120.0°
C20C21C22111.4°109.2°
C20C21H21103.8°109.7°
C22C21H21111.7°109.3°
C21C22C23114.3°109.7°
C21C22H221110.4°109.4°
C21C22H222110.4°109.2°
C23C22H221110.5°109.5°
C23C22H222110.5°109.5°
C22C23C24107.7°109.3°
C22C23H231112.9°109.6°
C22C23H232112.9°109.5°
H221C22H22299.9°109.5°
C24C23H231112.9°109.5°
C24C23H232112.9°109.4°
C23C24C25105.8°108.6°
C23C24H241113.6°109.5°
C23C24H242113.6°109.7°
H231C23H23297.7°109.5°
C25C24H241113.6°109.6°
C25C24H242113.6°109.7°
C24C25H251113.8°110.4°
C24C25H252113.8°109.2°
H241C24H24296.9°109.8°
H251C25H25296.7°109.2°
H261C26H262110.9°109.5°
H261C26H263110.9°109.5°
H262C26H26399.5°109.5°
H271C27H272110.4°109.5°
H271C27H273110.5°109.5°
H272C27H27399.8°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1C21C25165.5°179.4°
N1C2O2C3179.6°178.3°
N1C2C3O369.8°7.1°
N1C2C3C4110.3°174.0°
C2N1C21C2094.9°3.2°
C2N1C21C22141.1°123.2°
C2N1C21H2120.5°117.7°
C2N1C25C24129.1°121.7°
C2N1C25H2513.8°0.5°
C2N1C25H252105.6°119.7°
C21N1C2O20.3°26.5°
C21N1C2C3179.8°151.7°
N1C21C20O192.2°111.4°
N1C21C20O20179.7°69.5°
N1C21C20C22121.6°119.6°
N1C21C20H21118.1°120.6°
N1C21C22H21118.6°118.9°
N1C21C22C2348.1°55.3°
N1C21C22H221173.3°64.8°
N1C21C22H22277.2°175.3°
C21N1C25C2465.7°57.7°
C21N1C25H251169.0°178.9°
C21N1C25H25259.6°60.9°
C25N1C2O2164.3°154.1°
C25N1C2C315.3°27.6°
C25N1C21C2070.6°176.2°
C25N1C21C2253.4°56.2°
C25N1C21H21174.0°62.9°
N1C25C24C2368.2°57.7°
N1C25C24H251125.2°121.4°
N1C25C24H252125.3°118.5°
N1C25C24H241166.5°61.8°
N1C25C24H24257.0°177.6°
N1C25H251H252119.6°119.9°
O2C2C3O3110.6°171.2°
O2C2C3C469.3°7.7°
C2C3O3C4179.8°178.9°
C2C3C4C5161.0°45.6°
C2C3C4C2639.6°165.3°
C2C3C4C2778.5°75.3°
O3C3C4C519.1°135.5°
O3C3C4C26140.5°15.7°
O3C3C4C27101.4°103.6°
C3C4C5C26124.4°119.8°
C3C4C5C27125.0°121.0°
C3C4C26C27124.1°119.8°
C3C4C5O662.6°136.2°
C3C4C5H5162.7°104.4°
C3C4C5H52172.1°15.3°
C3C4C26H261180.0°59.8°
C3C4C26H26254.8°60.2°
C3C4C26H26354.8°179.8°
C3C4C27H271180.0°59.4°
C3C4C27H27254.8°179.3°
C3C4C27H27354.7°60.6°
C5C4C26C27112.6°119.6°
C4C5O6H51125.3°119.4°
C4C5O6H52125.3°121.1°
C4C5H51H52118.5°120.4°
C4C5O6C7169.0°156.3°
C5C4C26H26156.7°179.6°
C5C4C26H262178.1°60.4°
C5C4C26H26368.5°59.6°
C5C4C27H27156.9°179.2°
C5C4C27H27268.3°59.3°
C5C4C27H273177.8°60.8°
C26C4C5O661.8°104.0°
C26C4C5H51172.9°15.4°
C26C4C5H5263.5°135.1°
C4C26H261H262125.2°119.9°
C4C26H261H263125.2°120.0°
C4C26H262H263116.8°120.0°
C26C4C27H27156.6°60.1°
C26C4C27H272178.1°59.9°
C26C4C27H27368.6°180.0°
C27C4C5O6172.4°15.2°
C27C4C5H5162.3°134.6°
C27C4C5H5247.1°105.7°
C27C4C26H26155.8°60.0°
C27C4C26H26269.4°180.0°
C27C4C26H263178.9°60.0°
C4C27H271H272125.2°120.0°
C4C27H271H273125.3°119.9°
C4C27H272H273116.4°120.0°
O6C5H51H52118.6°120.0°
C5O6C7O75.1°6.1°
C5O6C7C8176.2°173.2°
H51C5O6C765.7°36.9°
H52C5O6C743.7°82.6°
O6C7O7C8178.7°179.3°
O6C7C8C93.8°125.8°
O6C7C8H81121.5°5.6°
O6C7C8H82129.1°114.1°
O7C7C8C9177.6°54.9°
O7C7C8H8157.1°175.1°
O7C7C8H8252.3°65.2°
C7C8C9H81125.2°120.1°
C7C8C9H82125.2°120.1°
C7C8H81H82115.1°119.8°
C7C8C9C10157.2°123.4°
C7C8C9H9132.0°116.7°
C7C8C9H9277.5°3.3°
C9C8H81H82115.3°119.9°
C8C9C10H91125.2°120.0°
C8C9C10H92125.2°120.2°
C8C9H91H92119.1°120.1°
C8C9C10C11165.6°152.2°
C8C9C10H10169.1°32.2°
C8C9C10H10240.3°87.8°
H81C8C9C1077.5°3.3°
H81C8C9H91157.2°123.2°
H81C8C9H9247.8°116.8°
H82C8C9C1032.0°116.5°
H82C8C9H9193.3°3.4°
H82C8C9H92157.3°123.4°
C10C9H91H92119.2°119.9°
C9C10C11H101125.2°120.0°
C9C10C11H102125.3°120.0°
C9C10H101H102116.6°119.9°
C9C10C11C1283.4°154.4°
C9C10C11H11141.8°85.7°
C9C10C11H112151.3°34.2°
H91C9C10C1140.4°87.8°
H91C9C10H101165.7°152.1°
H91C9C10H10284.9°32.2°
H92C9C10C1169.1°32.1°
H92C9C10H10156.2°88.0°
H92C9C10H102165.6°152.1°
C11C10H101H102116.7°119.9°
C10C11C12H111125.2°120.0°
C10C11C12H112125.2°120.0°
C10C11H111H112116.3°119.9°
C10C11C12C13102.1°144.3°
C10C11C12H121132.6°24.3°
C10C11C12H12223.1°95.6°
H101C10C11C12151.3°34.3°
H101C10C11H11183.5°154.3°
H101C10C11H11226.1°85.8°
H102C10C11C1241.8°85.6°
H102C10C11H111167.0°34.3°
H102C10C11H11283.4°154.2°
C12C11H111H112116.3°120.1°
C11C12C13H121125.3°120.1°
C11C12C13H122125.3°120.0°
C11C12H121H122118.4°119.9°
C11C12C13C14142.3°131.6°
C11C12C13H13192.5°108.5°
C11C12C13H13217.0°11.5°
H111C11C12C1323.1°95.7°
H111C11C12H121102.2°144.3°
H111C11C12H122148.3°24.4°
H112C11C12C13132.7°24.3°
H112C11C12H1217.4°95.7°
H112C11C12H122102.1°144.4°
C13C12H121H122118.4°119.9°
C12C13C14H131125.3°119.9°
C12C13C14H132125.3°120.2°
C12C13H131H132116.2°120.1°
C12C13C14C15166.5°169.4°
C12C13C14H14141.2°49.3°
C12C13C14H14268.3°70.6°
H121C12C13C1417.0°11.5°
H121C12C13H131142.3°131.4°
H121C12C13H132108.3°108.6°
H122C12C13C1492.5°108.3°
H122C12C13H13132.8°11.5°
H122C12C13H132142.2°131.5°
C14C13H131H132116.3°119.9°
C13C14C15H141125.3°120.0°
C13C14C15H142125.2°120.0°
C13C14H141H142118.1°119.9°
C13C14C15C16115.2°167.4°
C13C14C15H15110.0°72.7°
C13C14C15H152119.6°47.1°
H131C13C14C1568.3°70.7°
H131C13C14H141166.4°169.2°
H131C13C14H14257.0°49.3°
H132C13C14C1541.2°49.2°
H132C13C14H14184.1°70.9°
H132C13C14H142166.4°169.2°
C15C14H141H142118.2°120.0°
C14C15C16H151125.2°119.9°
C14C15C16H152125.3°120.1°
C14C15H151H152117.4°119.9°
C14C15C16C1791.7°106.7°
C14C15C16H161143.1°13.5°
C14C15C16H16233.5°133.2°
H141C14C15C16119.6°47.4°
H141C14C15H151115.2°167.3°
H141C14C15H1525.7°72.9°
H142C14C15C1610.1°72.6°
H142C14C15H151135.3°47.3°
H142C14C15H152115.2°167.1°
C16C15H151H152117.4°120.1°
C15C16C17H161125.3°120.1°
C15C16C17H162125.3°120.1°
C15C16H161H162116.1°119.7°
C15C16C17C18104.1°113.3°
C15C16C17H171130.6°126.8°
C15C16C17H17221.2°6.8°
H151C15C16C1733.5°133.5°
H151C15C16H16191.7°106.4°
H151C15C16H162158.7°13.3°
H152C15C16C17143.0°13.5°
H152C15C16H16117.8°133.6°
H152C15C16H16291.8°106.7°
C17C16H161H162116.0°119.9°
C16C17C18H171125.3°119.9°
C16C17C18H172125.3°120.3°
C16C17H171H172118.6°120.2°
C16C17C18O19110.2°179.7°
C16C17C18H18115.1°60.0°
C16C17C18H182124.5°59.8°
H161C16C17C1821.2°6.8°
H161C16C17H171104.1°113.1°
H161C16C17H172146.5°126.9°
H162C16C17C18130.7°126.5°
H162C16C17H1715.4°6.7°
H162C16C17H172104.0°113.4°
C18C17H171H172118.6°119.8°
C17C18O19H181125.3°120.2°
C17C18O19H182125.3°119.8°
C17C18H181H182120.9°119.7°
C17C18O19C20150.8°170.4°
H171C17C18O19124.5°59.8°
H171C17C18H181110.3°179.9°
H171C17C18H1820.8°60.1°
H172C17C18O1915.1°60.0°
H172C17C18H181140.4°60.3°
H172C17C18H182110.2°179.9°
O19C18H181H182120.9°120.0°
C18O19C20O200.6°3.4°
C18O19C20C21177.4°175.6°
H181C18O19C2025.5°69.4°
H182C18O19C2084.0°50.5°
O19C20O20C21178.0°179.1°
O19C20C21C22123.8°129.0°
O19C20C21H21115.9°9.2°
O20C20C21C2258.1°50.1°
O20C20C21H2162.2°169.9°
C20C21C22H21115.6°120.0°
C20C21C22C2377.8°176.5°
C20C21C22H22147.5°56.3°
C20C21C22H222157.0°63.5°
C21C22C23H221125.2°120.1°
C21C22C23H222125.2°119.9°
C21C22H221H222116.2°119.7°
C21C22C23C2456.5°60.5°
C21C22C23H23168.7°179.4°
C21C22C23H232178.3°59.3°
H21C21C22C23166.6°63.6°
H21C21C22H22168.1°176.3°
H21C21C22H22241.4°56.4°
C23C22H221H222116.4°120.0°
C22C23C24H231125.2°120.1°
C22C23C24H232125.2°119.8°
C22C23H231H232118.8°120.1°
C22C23C24C2565.3°61.5°
C22C23C24H241169.5°58.1°
C22C23C24H24260.0°178.6°
H221C22C23C24178.3°59.6°
H221C22C23H23156.5°60.5°
H221C22C23H23253.0°179.4°
H222C22C23C2468.7°179.6°
H222C22C23H231166.1°59.6°
H222C22C23H23256.5°60.6°
C24C23H231H232118.8°120.0°
C23C24C25H241125.3°119.5°
C23C24C25H242125.3°119.8°
C23C24H241H242119.5°120.4°
C23C24C25H251166.6°179.1°
C23C24C25H25257.1°60.8°
H231C23C24C2559.9°178.4°
H231C23C24H24165.3°62.0°
H231C23C24H242174.8°58.5°
H232C23C24C25169.5°58.4°
H232C23C24H24144.2°178.0°
H232C23C24H24265.3°61.5°
C25C24H241H242119.5°120.6°
C24C25H251H252119.7°120.0°
H241C24C25H25141.3°59.6°
H241C24C25H25268.2°179.7°
H242C24C25H25168.2°61.0°
H242C24C25H252177.7°59.1°
H261C26H262H263116.8°120.1°
H271C27H272H273116.3°120.1°

223532

PDB entries from 2024-08-07

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