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SNL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C8C7sing1.55Å1.58Å
C8C9sing1.54Å1.58Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.12Å
C4C5sing1.52Å1.55Å
C4C3sing1.54Å1.55Å
C4H41sing1.09Å1.11Å
C4H42sing1.09Å1.12Å
C5C6sing1.55Å1.54Å
C5C9sing1.52Å1.57Å
C5C10sing1.53Å1.60Å
C2C1sing1.52Å1.56Å
C2C11sing1.53Å1.53Å
C2C20sing1.50Å1.56Å
C2C24sing1.53Å1.62Å
C6C7sing1.53Å1.52Å
C6C23sing1.52Å1.56Å
C6H6sing1.09Å1.12Å
C1C12sing1.53Å1.57Å
C1H11sing1.09Å1.11Å
C1H12sing1.09Å1.12Å
C3C24sing1.53Å1.57Å
C3H31sing1.09Å1.11Å
C3H32sing1.09Å1.11Å
C7H71sing1.09Å1.12Å
C7H72sing1.09Å1.12Å
C9C13sing1.54Å1.56Å
C9O58sing1.45Å1.46Å
C10H101sing1.09Å1.12Å
C10H102sing1.09Å1.11Å
C10H103sing1.09Å1.11Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.11Å
C11H113sing1.09Å1.12Å
C12C18sing1.52Å1.54Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.11Å
C13C14sing1.55Å1.55Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.12Å
C14C15sing1.51Å1.48Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.11Å
C15O57doub1.21Å1.18Å
C15O58sing1.34Å1.36Å
C16C17sing1.51Å1.48Å
C16O59doub1.21Å1.20Å
C16S61sing1.71Å1.78Å
C17H171sing1.09Å1.12Å
C17H172sing1.09Å1.12Å
C17H173sing1.09Å1.11Å
C18C19sing1.47Å1.49Å
C18O60doub1.21Å1.21Å
C19C20doub1.33Å1.35Å
C19H19sing1.08Å1.10Å
C20C21sing1.52Å1.51Å
C21C22sing1.53Å1.53Å
C21H211sing1.09Å1.11Å
C21H212sing1.09Å1.12Å
C22C23sing1.53Å1.58Å
C22S61sing1.81Å1.82Å
C22H22sing1.09Å1.12Å
C23C24sing1.54Å1.57Å
C23H23sing1.09Å1.11Å
C24H24sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7C8C9107.0°106.0°
C7C8H81113.2°110.1°
C7C8H82113.1°110.2°
C8C7C6104.0°103.0°
C8C7H71114.3°110.7°
C8C7H72114.3°110.7°
C9C8H81113.2°110.2°
C9C8H82113.2°110.1°
C8C9C5103.3°106.3°
C8C9C13114.1°110.2°
C8C9O58106.6°110.9°
H81C8H8297.3°110.1°
C5C4C3110.9°107.2°
C5C4H41111.7°109.9°
C5C4H42111.6°109.9°
C4C5C6108.1°107.1°
C4C5C9117.1°117.1°
C4C5C10110.4°109.8°
C3C4H41111.7°109.9°
C3C4H42111.7°109.9°
C4C3C24109.8°111.7°
C4C3H31112.1°109.1°
C4C3H32112.1°109.0°
H41C4H4298.7°109.9°
C6C5C9102.0°103.1°
C6C5C10112.9°109.8°
C5C6C7106.9°101.9°
C5C6C23109.9°107.2°
C5C6H6115.6°110.4°
C9C5C10106.2°109.7°
C5C9C13117.1°111.7°
C5C9O58111.3°112.3°
C5C10H101110.4°109.4°
C5C10H102111.8°109.5°
C5C10H103111.8°109.4°
C1C2C11108.1°108.1°
C1C2C20112.1°114.1°
C1C2C24108.9°109.1°
C2C1C12113.4°111.8°
C2C1H11110.8°109.0°
C2C1H12110.8°109.0°
C11C2C20108.6°108.1°
C11C2C24109.9°107.4°
C2C11H111108.1°109.5°
C2C11H112112.7°109.5°
C2C11H113112.7°109.4°
C20C2C24109.2°109.9°
C2C20C19123.2°123.6°
C2C20C21115.5°118.6°
C2C24C3111.9°109.2°
C2C24C23111.9°109.6°
C2C24H24106.8°109.0°
C7C6C23120.4°115.8°
C7C6H6103.8°110.3°
C6C7H71114.3°110.7°
C6C7H72114.3°110.7°
C23C6H6100.4°110.8°
C6C23C22114.1°109.8°
C6C23C24110.8°107.4°
C6C23H23105.4°110.0°
C12C1H11110.8°109.0°
C12C1H12110.8°109.0°
C1C12C18114.1°107.4°
C1C12H121110.5°109.9°
C1C12H122110.5°109.8°
H11C1H1299.6°109.0°
C24C3H31112.0°109.1°
C24C3H32112.1°109.0°
C3C24C23111.5°111.7°
C3C24H24107.3°108.9°
H31C3H3298.4°108.9°
H71C7H7296.2°110.8°
C13C9O58104.1°105.5°
C9C13C1499.9°101.9°
C9C13H131115.9°110.9°
C9C13H132115.9°110.9°
C9O58C15111.6°109.8°
H101C10H102111.9°109.5°
H101C10H103111.9°109.4°
H102C10H10398.6°109.5°
H111C11H112112.7°109.5°
H111C11H113112.7°109.4°
H112C11H11397.8°109.5°
C18C12H121110.5°109.9°
C18C12H122110.5°109.9°
C12C18C19117.1°116.4°
C12C18O60121.3°121.8°
H121C12H12299.8°109.9°
C14C13H131115.9°110.9°
C14C13H132115.9°111.0°
C13C14C15104.8°104.9°
C13C14H141114.0°110.4°
C13C14H142114.0°110.4°
H131C13H13294.5°110.8°
C15C14H141114.0°110.3°
C15C14H142114.0°110.3°
C14C15O57131.6°125.1°
C14C15O58109.4°109.8°
H141C14H14296.5°110.4°
O57C15O58119.0°125.0°
C17C16O59123.2°120.0°
C17C16S61112.1°120.0°
C16C17H171123.3°109.4°
C16C17H172107.3°109.4°
C16C17H173107.4°109.5°
O59C16S61124.7°120.0°
C16S61C22114.9°100.0°
H171C17H172107.3°109.5°
H171C17H173107.3°109.5°
H172C17H173102.4°109.5°
C19C18O60121.5°121.8°
C18C19C20123.6°120.0°
C18C19H19123.6°120.0°
C20C19H19112.8°120.0°
C19C20C21120.4°117.7°
C20C21C22112.3°108.7°
C20C21H211111.2°109.6°
C20C21H212111.1°109.6°
C22C21H211111.1°109.6°
C22C21H212111.1°109.7°
C21C22C23114.7°109.3°
C21C22S61114.4°109.5°
C21C22H22103.3°109.5°
H211C21H21299.2°109.7°
C23C22S61113.5°109.5°
C23C22H22104.5°109.5°
C22C23C24110.1°109.1°
C22C23H23106.2°110.5°
S61C22H22104.8°109.5°
C24C23H23110.0°110.0°
C23C24H24107.2°108.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C7C8C9H81125.3°119.2°
C7C8C9H82125.2°119.2°
C7C8H81H82119.0°121.7°
C8C7C6C528.9°41.2°
C7C8C9C519.7°3.1°
C8C7C6H71125.2°118.4°
C8C7C6H72125.3°118.4°
C8C7C6C23155.1°157.1°
C8C7C6H693.8°76.1°
C8C7H71H72120.2°123.2°
C7C8C9C13108.5°118.0°
C7C8C9O58137.1°125.5°
C9C8H81H82119.1°121.6°
C8C9C5C4154.2°145.8°
C8C9C5C636.4°28.6°
C8C9C5C13126.4°120.2°
C8C9C5O58114.1°121.5°
C8C9C5C1081.9°88.3°
C9C8C7C65.1°23.9°
C9C8C7H71130.3°94.5°
C9C8C7H72120.3°142.3°
C8C9C13O58115.8°119.8°
C8C9C13C14145.8°94.0°
C8C9C13H13120.5°24.2°
C8C9C13H13288.9°147.8°
C8C9O58C15141.7°90.1°
H81C8C9C5105.6°116.1°
H81C8C7C6130.4°143.1°
H81C8C7H71104.4°24.7°
H81C8C7H725.0°98.5°
H81C8C9C13126.2°122.8°
H81C8C9O5811.8°6.3°
H82C8C9C5144.9°122.3°
H82C8C7C6120.2°95.2°
H82C8C7H715.1°146.4°
H82C8C7H72114.5°23.2°
H82C8C9C1316.7°1.1°
H82C8C9O5897.7°115.4°
C5C4C3H41125.3°119.4°
C5C4C3H42125.2°119.5°
C5C4H41H42117.5°121.1°
C4C5C6C9124.1°124.1°
C4C5C6C10122.5°119.1°
C4C5C9C10123.8°125.9°
C4C5C6C7165.7°167.6°
C4C5C6C2362.1°70.3°
C4C5C6H650.7°50.5°
C5C4C3C2458.4°57.4°
C5C4C3H3166.8°178.0°
C5C4C3H32176.4°63.2°
C4C5C9C1327.9°25.6°
C4C5C9O5891.7°92.8°
C4C5C10H101180.0°56.0°
C4C5C10H10254.7°176.0°
C4C5C10H10354.8°63.9°
C3C4H41H42117.6°121.1°
C3C4C5C663.0°64.7°
C3C4C5C9177.4°179.7°
C3C4C5C1060.9°54.4°
C4C3C24C2179.3°175.4°
C4C3C24H31125.2°120.6°
C4C3C24H32125.2°120.6°
C4C3H31H32118.0°118.9°
C4C3C24C2353.2°54.0°
C4C3C24H2463.9°65.7°
H41C4C5C6171.7°54.7°
H41C4C5C957.2°60.3°
H41C4C5C1064.4°173.8°
H41C4C3C24176.3°62.0°
H41C4C3H3158.4°58.6°
H41C4C3H3251.1°177.4°
H42C4C5C662.2°175.8°
H42C4C5C952.2°60.8°
H42C4C5C10173.8°65.1°
H42C4C3C2466.8°176.9°
H42C4C3H31167.9°62.5°
H42C4C3H3258.4°56.3°
C6C5C9C10118.4°116.9°
C5C6C7C23126.2°115.9°
C5C6C7H6122.7°117.2°
C5C6C23H6122.3°120.5°
C5C6C7H71154.1°77.2°
C5C6C7H7296.4°159.5°
C6C5C9C1390.0°91.6°
C6C5C9O58150.5°150.0°
C6C5C10H10158.8°61.4°
C6C5C10H102175.9°58.6°
C6C5C10H10366.4°178.7°
C5C6C23C22177.0°177.3°
C5C6C23C2458.1°64.3°
C5C6C23H2360.8°55.4°
C9C5C6C741.6°43.6°
C9C5C6C23173.8°165.7°
C9C5C6H673.4°73.6°
C5C9C13O58123.3°122.3°
C9C5C10H10152.1°174.0°
C9C5C10H10273.2°54.0°
C9C5C10H103177.3°66.1°
C5C9C13C1493.4°148.2°
C5C9C13H131141.3°93.7°
C5C9C13H13231.9°30.0°
C5C9O58C15106.3°151.2°
C10C5C6C771.9°73.3°
C10C5C6C2360.4°48.8°
C10C5C6H6173.2°169.6°
C10C5C9C13151.7°151.5°
C10C5C9O5832.1°33.2°
C5C10H101H102125.2°120.0°
C5C10H101H103125.2°119.9°
C5C10H102H103117.8°120.0°
C1C2C11C20121.8°123.9°
C1C2C11C24118.8°117.6°
C1C2C20C24120.8°122.9°
C2C1C12H11125.2°120.6°
C2C1C12H12125.2°120.6°
C2C1H11H12116.7°118.9°
C1C2C24C357.7°58.8°
C1C2C11H111180.0°59.9°
C1C2C11H11254.8°180.0°
C1C2C11H11354.8°60.0°
C2C1C12C1846.6°57.7°
C2C1C12H12178.7°177.3°
C2C1C12H122171.8°61.7°
C1C2C20C1917.3°9.1°
C1C2C20C21173.9°171.4°
C1C2C24C23176.5°178.6°
C1C2C24H2459.4°60.1°
C11C2C20C24119.9°116.9°
C11C2C1C1278.5°81.2°
C11C2C1H1146.8°158.2°
C11C2C1H12156.3°39.4°
C11C2C24C360.6°58.1°
C2C11H111H112125.2°120.1°
C2C11H111H113125.2°119.9°
C2C11H112H113118.6°119.9°
C11C2C20C19102.0°111.1°
C11C2C20C2166.8°68.4°
C11C2C24C2365.3°64.5°
C11C2C24H24177.7°177.0°
C20C2C1C1241.2°39.0°
C20C2C1H11166.4°81.6°
C20C2C1H1284.0°159.6°
C20C2C24C3179.7°175.5°
C20C2C11H11158.2°64.0°
C20C2C11H112176.6°56.1°
C20C2C11H11367.1°176.1°
C2C20C19C183.3°0.2°
C2C20C19C21168.3°179.5°
C2C20C19H19176.7°179.7°
C2C20C21C2251.8°49.7°
C2C20C21H21173.5°169.5°
C2C20C21H212177.1°70.1°
C20C2C24C2353.8°52.8°
C20C2C24H2463.3°65.7°
C2C24C23C6179.5°178.0°
C24C2C1C12162.1°162.3°
C24C2C1H1172.6°41.8°
C24C2C1H1236.9°77.1°
C2C24C3C23126.1°121.4°
C2C24C3H24116.8°118.9°
C2C24C3H3154.0°64.0°
C2C24C3H3255.5°54.8°
C24C2C11H11161.2°177.5°
C24C2C11H11264.0°62.4°
C24C2C11H113173.6°57.6°
C24C2C20C19138.1°132.0°
C24C2C20C2153.1°48.5°
C2C24C23C2253.3°63.1°
C2C24C23H24116.7°118.9°
C2C24C23H2363.4°58.3°
C7C6C23H6112.9°126.6°
C6C7H71H72120.2°123.2°
C7C6C23C2252.2°64.4°
C7C6C23C24177.1°177.2°
C7C6C23H2364.0°57.4°
C6C23C24C353.4°56.8°
C23C6C7H7179.7°38.7°
C23C6C7H7229.8°84.5°
C6C23C22C21177.2°177.7°
C6C23C22C24125.3°117.5°
C6C23C22H23115.7°121.5°
C6C23C22S6143.1°62.4°
C6C23C22H2270.5°57.8°
C6C23C24H23116.2°119.7°
C6C23C24H2463.7°63.2°
H6C6C7H7131.4°165.6°
H6C6C7H72140.9°42.3°
H6C6C23C2260.7°62.2°
H6C6C23C2464.2°56.3°
H6C6C23H23176.9°176.0°
C12C1H11H12116.7°118.9°
C1C12C18H121125.3°119.5°
C1C12C18H122125.2°119.4°
C1C12H121H122116.4°121.0°
C1C12C18C1926.5°49.7°
C1C12C18O60154.7°130.3°
H11C1C12C18171.9°62.8°
H11C1C12H12146.6°56.7°
H11C1C12H12262.9°177.7°
H12C1C12C1878.6°178.3°
H12C1C12H121156.1°62.2°
H12C1C12H12246.6°58.9°
C24C3H31H32118.0°118.8°
C3C24C23C22179.4°175.8°
C3C24C23H24117.1°120.0°
C3C24C23H2362.7°62.9°
H31C3C24C2372.1°174.6°
H31C3C24H24170.8°54.9°
H32C3C24C23178.4°66.6°
H32C3C24H2461.3°173.7°
C9C13C14H131125.3°118.2°
C9C13C14H132125.3°118.2°
C9C13H131H132121.7°123.7°
C9C13C14C1529.4°14.7°
C9C13C14H141154.7°104.2°
C9C13C14H14295.9°133.5°
C13C9O58C1520.7°29.3°
O58C9C13C1429.9°25.8°
O58C9C13H13195.3°144.0°
O58C9C13H132155.2°92.4°
C9O58C15C141.1°19.7°
C9O58C15O57178.7°160.3°
H101C10H102H103117.8°120.0°
H111C11H112H113118.7°120.0°
C18C12H121H122116.3°121.0°
C12C18C19O60178.8°180.0°
C12C18C19C201.4°21.6°
C12C18C19H19178.6°158.5°
H121C12C18C1998.8°169.2°
H121C12C18O6080.0°10.8°
H122C12C18C19151.7°69.7°
H122C12C18O6029.5°110.3°
C14C13H131H132121.7°123.8°
C13C14C15H141125.2°118.9°
C13C14C15H142125.3°118.8°
C13C14H141H142119.9°122.3°
C13C14C15O57161.0°177.9°
C13C14C15O5819.1°2.0°
H131C13C14C1595.8°132.8°
H131C13C14H14129.4°14.0°
H131C13C14H142138.9°108.4°
H132C13C14C15154.7°103.5°
H132C13C14H14180.1°137.7°
H132C13C14H14229.4°15.3°
C15C14H141H142120.0°122.2°
C14C15O57O58179.9°179.9°
H141C14C15O5735.8°59.0°
H141C14C15O58144.3°120.9°
H142C14C15O5773.7°63.3°
H142C14C15O58106.1°116.8°
C17C16O59S61178.9°180.0°
C16C17H171H172125.3°120.0°
C16C17H171H173125.3°120.0°
C16C17H172H173112.9°120.0°
C17C16S61C22177.6°180.0°
O59C16C17H171180.0°90.0°
O59C16C17H17254.7°150.0°
O59C16C17H17354.8°30.0°
O59C16S61C221.5°0.0°
S61C16C17H1710.9°90.0°
S61C16C17H172126.2°30.0°
S61C16C17H173124.3°150.0°
C16S61C22C2189.6°65.1°
C16S61C22C2344.6°175.1°
C16S61C22H22158.1°55.0°
H171C17H172H173112.8°120.1°
C18C19C20H19180.0°179.9°
C18C19C20C21165.0°179.3°
O60C18C19C20179.8°158.4°
O60C18C19H190.2°21.5°
C19C20C21C22139.1°130.8°
C19C20C21H21195.7°11.0°
C19C20C21H21213.8°109.4°
H19C19C20C2115.0°0.8°
C20C21C22H211125.3°119.8°
C20C21C22H212125.3°119.8°
C20C21H211H212117.0°120.3°
C20C21C22C2350.4°55.5°
C20C21C22S6183.3°64.5°
C20C21C22H22163.5°175.4°
C22C21H211H212117.0°120.5°
C21C22C23S61134.1°120.0°
C21C22C23H22112.3°119.9°
C21C22S61H22112.4°120.1°
C21C22C23C2451.9°64.9°
C21C22C23H2367.1°56.2°
H211C21C22C2374.9°175.2°
H211C21C22S61151.4°55.3°
H211C21C22H2238.2°64.9°
H212C21C22C23175.7°64.3°
H212C21C22S6142.0°175.7°
H212C21C22H2271.3°55.6°
C23C22S61H22113.4°120.1°
C22C23C24H23116.7°121.4°
C22C23C24H2463.4°55.8°
S61C22C23C2482.2°55.1°
S61C22C23H23158.8°176.1°
H22C22C23C24164.2°175.2°
H22C22C23H2345.2°63.7°
H23C23C24H24179.9°177.1°

227111

PDB entries from 2024-11-06

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