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DTX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O23C23doub1.21Å1.18Å
C23C22sing1.47Å1.47Å
C23O21sing1.35Å1.39Å
C22C20doub1.33Å1.36Å
C22H22sing1.08Å1.10Å
O21C21sing1.46Å1.45Å
C21C20sing1.51Å1.49Å
C21H211sing1.09Å1.12Å
C21H212sing1.09Å1.11Å
C20C17sing1.51Å1.50Å
C17C16sing1.54Å1.57Å
C17C13sing1.55Å1.54Å
C17H17sing1.09Å1.12Å
C16C15sing1.55Å1.53Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.11Å
C13C12sing1.53Å1.56Å
C13C18sing1.53Å1.52Å
C13C14sing1.54Å1.58Å
C12C11sing1.52Å1.53Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.11Å
C11C9sing1.53Å1.56Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.11Å
C18H181sing1.09Å1.11Å
C18H182sing1.09Å1.11Å
C18H183sing1.09Å1.12Å
C14C15sing1.52Å1.51Å
C14O14sing1.43Å1.47Å
C14C8sing1.51Å1.55Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.11Å
O14H14Osing0.97Å0.95Å
C8C7sing1.53Å1.53Å
C8C9sing1.53Å1.56Å
C8HC8sing1.09Å1.11Å
C7C6sing1.53Å1.55Å
C7HC71sing1.09Å1.12Å
C7HC72sing1.09Å1.11Å
C9C10sing1.53Å1.56Å
C9HC9sing1.09Å1.11Å
C10C1sing1.53Å1.55Å
C10C19sing1.53Å1.56Å
C10C5sing1.53Å1.51Å
C1C2sing1.53Å1.52Å
C1HC11sing1.09Å1.12Å
C1HC12sing1.09Å1.12Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.12Å
C19H193sing1.09Å1.11Å
C5C6sing1.53Å1.54Å
C5C4sing1.53Å1.54Å
C5HC5sing1.09Å1.12Å
C6HC61sing1.09Å1.11Å
C6HC62sing1.09Å1.11Å
C4C3sing1.53Å1.52Å
C4HC41sing1.09Å1.11Å
C4HC42sing1.09Å1.12Å
C3C2sing1.53Å1.51Å
C3O32sing1.43Å1.46Å
C3HC3sing1.09Å1.12Å
C2HC21sing1.09Å1.12Å
C2HC22sing1.09Å1.11Å
O32H32Osing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O23C23C22132.8°125.0°
O23C23O21118.2°125.0°
C22C23O21109.0°110.0°
C23C22C20108.1°109.5°
C23C22H22129.0°125.2°
C23O21C21107.8°107.5°
C20C22H22122.8°125.2°
C22C20C21109.0°106.9°
C22C20C17130.3°126.6°
O21C21C20106.0°106.0°
O21C21H211113.5°110.2°
O21C21H212113.5°110.1°
C20C21H211113.5°110.5°
C20C21H212113.5°109.8°
C21C20C17120.5°126.5°
H211C21H21297.0°110.2°
C20C17C16111.0°110.2°
C20C17C13115.5°110.1°
C20C17H17103.2°110.0°
C16C17C13106.9°106.3°
C16C17H17112.6°110.1°
C17C16C15104.2°106.6°
C17C16H161114.2°110.1°
C17C16H162114.2°110.0°
C13C17H17107.7°110.1°
C17C13C12107.3°106.7°
C17C13C18115.5°111.8°
C17C13C14103.9°102.8°
C15C16H161114.2°110.0°
C15C16H162114.2°110.0°
C16C15C14103.9°103.6°
C16C15H151114.3°110.6°
C16C15H152114.3°110.6°
H161C16H16296.3°110.0°
C12C13C18110.0°111.6°
C12C13C14106.1°110.0°
C13C12C11113.7°110.7°
C13C12H121110.7°109.1°
C13C12H122110.6°109.3°
C18C13C14113.3°113.4°
C13C18H181110.0°109.5°
C13C18H182115.6°109.4°
C13C18H183110.0°109.5°
C13C14C15102.7°104.5°
C13C14O14106.6°107.3°
C13C14C8113.3°113.9°
C11C12H121110.6°109.2°
C11C12H122110.7°109.3°
C12C11C9112.7°108.7°
C12C11H111111.0°109.6°
C12C11H112111.0°109.6°
H121C12H12299.6°109.2°
C9C11H111111.0°109.6°
C9C11H112111.0°109.6°
C11C9C8107.2°108.4°
C11C9C10115.1°109.3°
C11C9HC9107.3°109.7°
H111C11H11299.3°109.8°
H181C18H182110.0°109.4°
H181C18H183100.2°109.5°
H182C18H183110.0°109.5°
C15C14O14105.2°109.1°
C15C14C8121.1°113.7°
C14C15H151114.3°110.1°
C14C15H152114.3°111.1°
O14C14C8106.9°108.2°
C14O14H14O106.7°106.8°
C14C8C7109.4°110.5°
C14C8C9112.1°111.0°
C14C8HC8108.6°108.6°
H151C15H15296.2°110.7°
C7C8C9112.0°109.5°
C7C8HC8108.7°108.6°
C8C7C6115.2°109.5°
C8C7HC71110.1°109.5°
C8C7HC72110.1°109.5°
C9C8HC8105.9°108.5°
C8C9C10109.6°109.7°
C8C9HC9112.9°109.6°
C6C7HC71110.1°109.5°
C6C7HC72110.1°109.5°
C7C6C5113.8°109.5°
C7C6HC61110.6°109.5°
C7C6HC62110.6°109.5°
HC71C7HC72100.1°109.4°
C10C9HC9104.8°110.1°
C9C10C1109.4°109.4°
C9C10C19113.6°109.4°
C9C10C5108.7°109.5°
C1C10C19102.9°109.5°
C1C10C5108.4°109.5°
C10C1C2111.9°109.6°
C10C1HC11111.3°109.5°
C10C1HC12111.3°109.5°
C19C10C5113.5°109.5°
C10C19H191110.7°109.4°
C10C19H192113.6°109.5°
C10C19H193110.7°109.5°
C10C5C6113.1°109.4°
C10C5C4110.5°109.6°
C10C5HC5105.6°109.4°
C2C1HC11111.3°109.5°
C2C1HC12111.3°109.5°
C1C2C3110.4°109.4°
C1C2HC21111.8°109.5°
C1C2HC22111.9°109.4°
HC11C1HC1299.1°109.4°
H191C19H192110.7°109.5°
H191C19H19399.6°109.5°
H192C19H193110.7°109.5°
C6C5C4107.5°109.5°
C6C5HC5108.7°109.5°
C5C6HC61110.6°109.5°
C5C6HC62110.6°109.5°
C4C5HC5111.5°109.4°
C5C4C3113.2°109.5°
C5C4HC41110.8°109.5°
C5C4HC42110.8°109.5°
HC61C6HC6299.7°109.4°
C3C4HC41110.8°109.4°
C3C4HC42110.8°109.5°
C4C3C2112.4°109.5°
C4C3O32107.5°109.5°
C4C3HC3109.0°109.5°
HC41C4HC4299.5°109.4°
C2C3O32110.0°109.5°
C2C3HC3106.5°109.5°
C3C2HC21111.9°109.5°
C3C2HC22111.9°109.5°
O32C3HC3111.5°109.5°
C3O32H32O107.5°106.8°
HC21C2HC2298.6°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O23C23C22O21179.0°179.9°
O23C23C22C20178.5°179.9°
O23C23C22H221.5°0.1°
O23C23O21C21179.8°179.7°
C23C22C20H22180.0°180.0°
C22C23O21C210.6°0.2°
C23C22C20C211.4°0.3°
C23C22C20C17175.7°179.9°
O21C23C22C200.5°0.0°
O21C23C22H22179.5°180.0°
C23O21C21C201.4°0.4°
C23O21C21H211123.8°119.2°
C23O21C21H212126.7°119.1°
C22C20C21O211.7°0.4°
C22C20C21C17175.0°179.8°
C22C20C21H211123.5°118.9°
C22C20C21H212127.0°119.3°
C22C20C17C16141.7°129.3°
C22C20C17C1396.5°113.8°
C22C20C17H1720.8°7.7°
H22C22C20C21178.6°179.8°
H22C22C20C174.3°0.0°
O21C21C20H211125.3°119.3°
O21C21C20H212125.3°118.9°
O21C21H211H212119.4°121.7°
O21C21C20C17176.7°179.8°
C20C21H211H212119.4°121.5°
C21C20C17C1644.5°51.0°
C21C20C17C1377.3°66.0°
C21C20C17H17165.4°172.5°
H211C21C20C1751.5°60.9°
H212C21C20C1758.0°60.9°
C20C17C16C13126.8°119.3°
C20C17C16H17115.2°121.5°
C20C17C13H17114.8°121.5°
C20C17C16C15138.9°117.6°
C20C17C16H16113.7°123.1°
C20C17C16H16295.8°1.7°
C20C17C13C12137.8°149.7°
C20C17C13C1814.6°27.5°
C20C17C13C14110.1°94.5°
C16C17C13H17121.2°119.2°
C17C16C15H161125.3°119.4°
C17C16C15H162125.3°119.3°
C17C16H161H162120.1°121.4°
C16C17C13C1298.2°90.9°
C16C17C13C18138.6°146.8°
C16C17C13C1413.9°24.8°
C17C16C15C1434.7°22.4°
C17C16C15H151160.0°95.5°
C17C16C15H15290.5°141.5°
C13C17C16C1512.2°1.7°
C13C17C16H161113.1°117.6°
C13C17C16H162137.5°120.9°
C17C13C12C18126.5°122.4°
C17C13C12C14110.6°110.9°
C17C13C18C14119.7°115.7°
C17C13C12C11166.0°165.5°
C17C13C12H12140.7°45.3°
C17C13C12H12268.7°74.0°
C17C13C18H18154.7°54.9°
C17C13C18H182180.0°174.8°
C17C13C18H18354.7°65.2°
C17C13C14C1535.3°39.3°
C17C13C14O1475.0°76.5°
C17C13C14C8167.7°163.8°
H17C17C16C15105.9°120.9°
H17C17C16H161128.9°1.6°
H17C17C16H16219.4°119.9°
H17C17C13C1223.0°28.2°
H17C17C13C18100.2°94.0°
H17C17C13C14135.1°144.0°
C15C16H161H162120.1°121.4°
C16C15C14C1343.6°38.4°
C16C15C14H151125.3°118.2°
C16C15C14H152125.2°118.8°
C16C15C14O1467.8°76.1°
C16C15C14C8171.1°163.1°
C16C15H151H152120.2°123.0°
H161C16C15C1490.5°141.8°
H161C16C15H15134.7°23.9°
H161C16C15H152144.2°99.1°
H162C16C15C14160.0°96.9°
H162C16C15H15174.7°145.3°
H162C16C15H15234.8°22.3°
C12C13C18C14118.6°124.9°
C13C12C11H121125.3°120.2°
C13C12C11H122125.3°120.4°
C13C12H121H122116.5°119.4°
C13C12C11C959.6°62.4°
C13C12C11H111175.1°177.9°
C13C12C11H11265.7°57.4°
C12C13C18H18167.0°64.5°
C12C13C18H18258.3°55.4°
C12C13C18H183176.4°175.4°
C12C13C14C1577.7°74.1°
C12C13C14O14172.0°170.2°
C12C13C14C854.7°50.5°
C18C13C12C1167.5°72.1°
C18C13C12H121167.2°167.7°
C18C13C12H12257.8°48.4°
C13C18H181H182128.4°120.0°
C13C18H181H183115.8°120.1°
C13C18H182H183125.3°120.0°
C18C13C14C15161.5°160.2°
C18C13C14O1451.1°44.5°
C18C13C14C866.1°75.2°
C14C13C12C1155.4°54.7°
C14C13C12H12169.9°65.6°
C14C13C12H122179.3°175.1°
C14C13C18H181174.4°170.6°
C14C13C18H18260.3°69.5°
C14C13C18H18365.0°50.6°
C13C14C15O14111.4°114.5°
C13C14C15C8127.6°124.7°
C13C14O14C8121.5°123.3°
C13C14C15H151168.8°79.8°
C13C14C15H15281.7°157.2°
C13C14O14H14O180.0°174.1°
C13C14C8C7177.1°175.0°
C13C14C8C958.0°53.3°
C13C14C8HC858.6°66.0°
C11C12H121H122116.5°119.4°
C12C11C9H111125.3°119.7°
C12C11C9H112125.3°119.8°
C12C11H111H112116.9°120.4°
C12C11C9C856.1°63.3°
C12C11C9C10178.3°177.2°
C12C11C9HC965.5°56.3°
H121C12C11C965.7°57.8°
H121C12C11H11159.6°61.9°
H121C12C11H112169.1°177.6°
H122C12C11C9175.1°177.2°
H122C12C11H11149.8°57.5°
H122C12C11H11259.6°63.0°
C9C11H111H112116.9°120.4°
C11C9C8C1455.2°58.7°
C11C9C8C7178.7°179.0°
C11C9C8C10125.6°119.3°
C11C9C8HC9118.0°119.7°
C11C9C8HC863.0°60.6°
C11C9C10HC9117.6°120.6°
C11C9C10C158.1°61.4°
C11C9C10C1956.3°58.6°
C11C9C10C5176.3°178.6°
H111C11C9C8178.7°177.0°
H111C11C9C1056.4°57.5°
H111C11C9HC959.7°63.4°
H112C11C9C869.2°56.4°
H112C11C9C1053.0°63.1°
H112C11C9HC9169.2°176.1°
H181C18H182H183109.4°120.0°
C15C14O14C8129.9°124.1°
C14C15H151H152120.2°123.2°
C15C14O14H14O71.4°61.5°
C15C14C8C760.2°55.5°
C15C14C8C964.6°66.2°
C15C14C8HC8178.8°174.5°
O14C14C15H15157.4°165.7°
O14C14C15H152166.9°42.7°
O14C14C8C760.0°65.8°
O14C14C8C9175.2°172.5°
O14C14C8HC858.6°53.2°
C8C14C15H15163.6°44.9°
C8C14C15H15245.9°78.1°
C8C14O14H14O58.5°62.6°
C14C8C7C9124.9°122.6°
C14C8C7HC8118.5°119.1°
C14C8C9HC8118.2°119.3°
C14C8C7C6169.6°177.6°
C14C8C7HC7165.1°57.6°
C14C8C7HC7244.3°62.4°
C14C8C9C10179.2°178.0°
C14C8C9HC962.7°61.0°
C7C8C9HC8118.3°118.4°
C8C7C6HC71125.2°120.0°
C8C7C6HC72125.3°120.0°
C8C7HC71HC72115.9°120.0°
C7C8C9C1055.8°59.8°
C7C8C9HC960.7°61.3°
C8C7C6C540.3°60.0°
C8C7C6HC6185.0°60.1°
C8C7C6HC62165.5°180.0°
C9C8C7C644.7°59.8°
C9C8C7HC71170.0°179.8°
C9C8C7HC7280.6°60.2°
C8C9C10HC9121.5°120.7°
C8C9C10C1179.0°179.9°
C8C9C10C1964.7°60.1°
C8C9C10C562.7°59.9°
HC8C8C7C671.9°58.5°
HC8C8C7HC7153.3°61.5°
HC8C8C7HC72162.8°178.5°
HC8C8C9C1062.6°58.6°
HC8C8C9HC9179.0°179.7°
C6C7HC71HC72115.9°120.0°
C7C6C5C1047.8°60.1°
C7C6C5HC61125.3°120.0°
C7C6C5HC62125.3°120.0°
C7C6C5C474.4°60.1°
C7C6C5HC5164.8°179.9°
C7C6HC61HC62116.4°119.9°
HC71C7C6C5165.5°180.0°
HC71C7C6HC6140.2°59.9°
HC71C7C6HC6269.2°60.0°
HC72C7C6C585.0°60.0°
HC72C7C6HC61149.7°179.9°
HC72C7C6HC6240.3°60.0°
C9C10C1C19121.0°119.9°
C9C10C1C5118.4°120.0°
C9C10C19C5124.9°120.0°
C9C10C1C258.0°60.2°
C9C10C1HC1167.2°179.8°
C9C10C1HC12176.7°59.9°
C9C10C19H19154.7°180.0°
C9C10C19H192180.0°60.1°
C9C10C19H19354.7°60.0°
C9C10C5C659.1°59.9°
C9C10C5C461.4°60.2°
C9C10C5HC5177.9°179.8°
HC9C9C10C159.5°59.2°
HC9C9C10C19173.8°179.1°
HC9C9C10C558.8°60.8°
C1C10C19C5116.9°120.1°
C10C1C2HC11125.2°120.0°
C10C1C2HC12125.2°120.1°
C10C1HC11HC12117.2°120.0°
C1C10C19H19163.4°60.0°
C1C10C19H19261.8°180.0°
C1C10C19H193172.9°60.0°
C1C10C5C6178.0°179.9°
C1C10C5C457.5°59.8°
C1C10C5HC563.2°60.2°
C10C1C2C357.1°59.9°
C10C1C2HC2168.1°179.9°
C10C1C2HC22177.6°60.0°
C19C10C1C2179.1°179.9°
C19C10C1HC1153.8°59.8°
C19C10C1HC1255.7°60.1°
C10C19H191H192126.9°120.0°
C10C19H191H193116.6°120.0°
C10C19H192H193125.3°120.1°
C19C10C5C668.3°60.0°
C19C10C5C4171.1°179.8°
C19C10C5HC550.5°59.9°
C5C10C1C260.4°59.8°
C5C10C1HC11174.3°60.2°
C5C10C1HC1264.8°179.8°
C5C10C19H191179.6°60.0°
C5C10C19H19255.1°59.9°
C5C10C19H19370.2°180.0°
C10C5C6C4122.3°120.2°
C10C5C6HC5116.9°119.8°
C10C5C4HC5117.1°119.9°
C10C5C6HC6177.5°60.0°
C10C5C6HC62173.1°179.9°
C10C5C4C354.6°59.9°
C10C5C4HC41179.9°179.9°
C10C5C4HC4270.6°60.1°
C2C1HC11HC12117.2°119.9°
C1C2C3C451.8°60.0°
C1C2C3HC21125.3°120.0°
C1C2C3HC22125.2°119.9°
C1C2C3O3268.0°60.0°
C1C2C3HC3171.1°180.0°
C1C2HC21HC22117.8°120.0°
HC11C1C2C3177.6°60.1°
HC11C1C2HC2157.1°59.9°
HC11C1C2HC2252.4°179.9°
HC12C1C2C368.1°180.0°
HC12C1C2HC21166.6°60.0°
HC12C1C2HC2257.1°60.1°
H191C19H192H193109.4°120.0°
C6C5C4HC5119.0°120.0°
C5C6HC61HC62116.5°120.0°
C6C5C4C3178.5°180.0°
C6C5C4HC4156.2°60.0°
C6C5C4HC4253.3°60.0°
C4C5C6HC61160.3°179.9°
C4C5C6HC6250.8°59.9°
C5C4C3HC41125.3°120.1°
C5C4C3HC42125.2°120.0°
C5C4HC41HC42116.7°120.0°
C5C4C3C251.3°60.0°
C5C4C3O3269.9°60.0°
C5C4C3HC3169.1°180.0°
HC5C5C6HC6139.5°59.9°
HC5C5C6HC6270.0°60.1°
HC5C5C4C362.4°60.0°
HC5C5C4HC4162.8°60.0°
HC5C5C4HC42172.3°180.0°
C3C4HC41HC42116.7°120.0°
C4C3C2O32119.8°120.0°
C4C3C2HC3119.3°120.0°
C4C3O32HC3119.4°120.0°
C4C3C2HC2173.5°180.0°
C4C3C2HC22177.0°59.9°
C4C3O32H32O180.0°180.0°
HC41C4C3C2176.6°179.9°
HC41C4C3O3255.4°60.1°
HC41C4C3HC365.6°59.9°
HC42C4C3C274.0°60.0°
HC42C4C3O32164.9°180.0°
HC42C4C3HC343.9°60.0°
C2C3O32HC3117.9°120.0°
C3C2HC21HC22117.8°120.0°
C2C3O32H32O57.3°60.0°
O32C3C2HC21166.8°60.0°
O32C3C2HC2257.3°179.9°
HC3C3C2HC2145.8°60.0°
HC3C3C2HC2263.7°60.1°
HC3C3O32H32O60.6°60.0°

222624

PDB entries from 2024-07-17

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