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VD1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C3sing1.43Å1.50Å
O2HO2sing0.97Å0.95Å
C3C2sing1.51Å1.51Å
C3C4sing1.53Å1.49Å
C3H3sing1.09Å1.11Å
C2C28doub1.31Å1.32Å
C2C1sing1.51Å1.48Å
C28H281sing1.08Å1.10Å
C28H282sing1.08Å1.10Å
C1O1sing1.43Å1.45Å
C1C10sing1.53Å1.55Å
C1H1sing1.09Å1.12Å
O1HO1sing0.97Å0.95Å
C4C5sing1.51Å1.48Å
C4H41sing1.09Å1.11Å
C4H42sing1.09Å1.11Å
C5C10sing1.51Å1.55Å
C5C6doub1.33Å1.41Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.12Å
C6C7sing1.47Å1.49Å
C6H6sing1.08Å1.10Å
C7C8doub1.33Å1.33Å
C7H7sing1.08Å1.10Å
C8C9sing1.52Å1.50Å
C8C14sing1.50Å1.52Å
C9C11sing1.53Å1.53Å
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.11Å
C11C12sing1.54Å1.56Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C12C13sing1.51Å1.54Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.11Å
C13C18sing1.53Å1.63Å
C13C14sing1.55Å1.60Å
C13C17sing1.52Å1.54Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.11Å
C18H183sing1.09Å1.12Å
C14C15sing1.53Å1.51Å
C14H14sing1.09Å1.11Å
C15C16sing1.56Å1.56Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.12Å
C17C16sing1.53Å1.57Å
C17C20sing1.53Å1.54Å
C17H17sing1.09Å1.11Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.12Å
C20C21sing1.53Å1.55Å
C20C22sing1.53Å1.56Å
C20H20sing1.09Å1.12Å
C21H211sing1.09Å1.11Å
C21H212sing1.09Å1.12Å
C21H213sing1.09Å1.11Å
C22C23sing1.53Å1.53Å
C22H221sing1.09Å1.11Å
C22H222sing1.09Å1.11Å
C23H231sing1.09Å1.11Å
C23H232sing1.09Å1.12Å
C23H233sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3O2HO2102.8°114.0°
O2C3C2102.8°109.6°
O2C3C4106.2°109.6°
O2C3H3117.3°109.6°
C2C3C4113.9°108.6°
C2C3H3110.0°109.6°
C3C2C28117.8°120.6°
C3C2C1121.6°118.8°
C4C3H3106.8°109.7°
C3C4C5112.7°108.6°
C3C4H41111.0°109.6°
C3C4H42111.0°109.6°
C28C2C1120.6°120.6°
C2C28H281120.6°120.0°
C2C28H282117.7°120.0°
C2C1O1116.4°109.6°
C2C1C10103.2°108.6°
C2C1H1108.4°109.7°
H281C28H282121.7°120.0°
O1C1C10106.8°109.6°
O1C1H1104.9°109.6°
C1O1HO1116.4°114.0°
C10C1H1117.7°109.8°
C1C10C5118.8°108.6°
C1C10H101108.9°109.6°
C1C10H102108.8°109.6°
C5C4H41111.0°109.6°
C5C4H42111.0°109.6°
C4C5C10118.4°118.8°
C4C5C6112.9°120.6°
H41C4H4299.4°109.8°
C10C5C6128.6°120.6°
C5C10H101108.9°109.6°
C5C10H102108.9°109.6°
C5C6C7122.4°120.0°
C5C6H6115.9°120.0°
H101C10H102101.2°109.7°
C7C6H6121.7°120.0°
C6C7C8124.8°120.0°
C6C7H7123.7°120.0°
C8C7H7111.5°119.9°
C7C8C9124.5°122.4°
C7C8C14118.8°122.4°
C9C8C14116.7°115.2°
C8C9C11107.9°110.7°
C8C9H91112.7°109.2°
C8C9H92112.8°109.2°
C8C14C13105.0°105.7°
C8C14C15127.0°116.7°
C8C14H14100.1°110.7°
C11C9H91112.8°109.2°
C11C9H92112.8°109.2°
C9C11C12112.8°111.8°
C9C11H111111.0°109.0°
C9C11H112111.0°109.0°
H91C9H9297.7°109.2°
C12C11H111111.0°109.0°
C12C11H112111.0°109.0°
C11C12C13109.0°107.5°
C11C12H121112.4°109.8°
C11C12H122112.4°109.8°
H111C11H11299.4°109.0°
C13C12H121112.3°109.9°
C13C12H122112.4°109.8°
C12C13C18107.7°109.3°
C12C13C14112.7°107.7°
C12C13C17118.8°118.3°
H121C12H12298.1°109.9°
C18C13C14111.4°109.0°
C18C13C17106.8°109.3°
C13C18H181107.7°109.5°
C13C18H182112.8°109.5°
C13C18H183112.9°109.5°
C14C13C1799.2°102.7°
C13C14C15108.7°101.2°
C13C14H14121.8°110.8°
C13C17C16106.3°105.4°
C13C17C20120.6°110.3°
C13C17H17106.7°110.3°
H181C18H182112.8°109.5°
H181C18H183112.8°109.5°
H182C18H18397.7°109.4°
C15C14H1495.5°111.2°
C14C15C16102.6°102.7°
C14C15H151114.8°110.7°
C14C15H152114.8°110.8°
C16C15H151114.8°110.7°
C16C15H152114.8°110.8°
C15C16C17108.4°106.3°
C15C16H161112.6°110.1°
C15C16H162112.6°110.1°
H151C15H15295.6°110.9°
C16C17C20116.3°109.4°
C16C17H17112.2°110.9°
C17C16H161112.6°110.9°
C17C16H162112.6°109.3°
C20C17H1793.7°110.4°
C17C20C21103.5°109.5°
C17C20C22114.2°109.5°
C17C20H20110.8°109.5°
H161C16H16297.8°110.1°
C21C20C22110.8°109.5°
C21C20H20114.2°109.5°
C20C21H211103.5°109.5°
C20C21H212114.5°109.5°
C20C21H213114.5°109.4°
C22C20H20103.6°109.4°
C20C22C23113.8°109.5°
C20C22H221110.6°109.5°
C20C22H222110.6°109.5°
H211C21H212114.5°109.5°
H211C21H213114.5°109.5°
H212C21H21395.9°109.5°
C23C22H221110.7°109.5°
C23C22H222110.7°109.5°
C22C23H231113.8°109.4°
C22C23H232110.6°109.5°
C22C23H233110.6°109.5°
H221C22H22299.7°109.5°
H231C23H232110.7°109.5°
H231C23H233110.7°109.5°
H232C23H23399.6°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C3C2C4114.4°119.8°
O2C3C2H3125.7°120.4°
O2C3C4H3125.9°120.4°
O2C3C2C28121.4°115.5°
O2C3C2C160.7°64.4°
O2C3C4C574.4°70.3°
O2C3C4H4150.9°49.4°
O2C3C4H42160.4°170.0°
HO2O2C3C2180.0°59.9°
HO2O2C3C460.0°179.1°
HO2O2C3H359.2°60.4°
C2C3C4H3121.7°119.8°
C3C2C28C1177.9°180.0°
C3C2C28H2812.1°0.1°
C3C2C28H282180.0°180.0°
C3C2C1O1168.9°175.0°
C3C2C1C1052.3°55.3°
C3C2C1H173.3°64.6°
C2C3C4C538.0°49.5°
C2C3C4H41163.2°169.2°
C2C3C4H4287.2°70.2°
C4C3C2C28124.1°124.7°
C4C3C2C153.7°55.3°
C3C4C5H41125.2°119.7°
C3C4C5H42125.2°119.7°
C3C4H41H42116.9°120.4°
C3C4C5C1033.2°55.3°
C3C4C5C6146.3°124.7°
H3C3C2C284.3°4.8°
H3C3C2C1173.6°175.2°
H3C3C4C5159.7°169.2°
H3C3C4H4175.1°71.0°
H3C3C4H4234.5°49.5°
C2C28H281H282177.8°179.9°
C28C2C1O19.0°5.0°
C28C2C1C10125.6°124.7°
C28C2C1H1108.9°115.3°
C1C2C28H281180.0°179.9°
C1C2C28H2822.1°0.0°
C2C1O1C10114.6°119.1°
C2C1O1H1119.8°120.4°
C2C1C10H1119.3°119.9°
C2C1O1HO1180.0°60.0°
C2C1C10C543.0°49.5°
C2C1C10H10182.3°70.3°
C2C1C10H102168.3°169.2°
O1C1C10H1117.5°120.4°
O1C1C10C5166.2°169.2°
O1C1C10H10140.9°49.4°
O1C1C10H10268.5°71.1°
C10C1O1HO165.4°179.1°
C1C10C5C438.7°55.3°
C1C10C5H101125.3°119.8°
C1C10C5H102125.2°119.7°
C1C10C5C6140.7°124.6°
C1C10H101H102114.5°120.4°
H1C1O1HO160.2°60.4°
H1C1C10C576.3°70.4°
H1C1C10H101158.4°169.8°
H1C1C10H10249.0°49.3°
C5C4H41H42116.9°120.5°
C4C5C10C6179.4°179.9°
C4C5C10H10186.6°64.5°
C4C5C10H102163.9°175.0°
C4C5C6C7179.1°174.0°
C4C5C6H61.0°5.9°
H41C4C5C10158.4°175.0°
H41C4C5C621.1°4.9°
H42C4C5C1092.0°64.4°
H42C4C5C688.4°115.7°
C5C10H101H102114.6°120.4°
C10C5C6C71.5°6.0°
C10C5C6H6178.5°174.0°
C6C5C10H10194.0°115.6°
C6C5C10H10215.5°4.9°
C5C6C7H6180.0°179.9°
C5C6C7C8155.3°174.8°
C5C6C7H724.7°5.3°
C6C7C8H7180.0°179.9°
C6C7C8C91.8°0.0°
C6C7C8C14177.9°179.8°
H6C6C7C824.7°5.2°
H6C6C7H7155.3°174.8°
C7C8C9C14176.2°179.8°
C7C8C9C11116.4°129.7°
C7C8C9H91118.3°109.9°
C7C8C9H928.9°9.5°
C7C8C14C13118.0°121.9°
C7C8C14C1510.1°10.3°
C7C8C14H14115.0°118.1°
H7C7C8C9178.2°180.0°
H7C7C8C142.1°0.3°
C8C9C11H91125.2°120.3°
C8C9C11H92125.2°120.3°
C8C9H91H92118.7°119.4°
C8C9C11C1255.9°48.6°
C8C9C11H111178.9°169.2°
C8C9C11H11269.3°72.0°
C9C8C14C1358.4°57.9°
C9C8C14C15173.5°169.4°
C9C8C14H1468.6°62.1°
C14C8C9C1159.8°50.0°
C14C8C9H9165.5°70.3°
C14C8C9H92174.9°170.3°
C8C14C13C1255.5°66.3°
C8C14C13C1865.7°52.2°
C8C14C13C15138.5°122.1°
C8C14C13H14112.3°120.0°
C8C14C13C17177.9°168.0°
C8C14C15H14107.0°128.2°
C8C14C15C16156.6°156.2°
C8C14C15H15131.3°37.9°
C8C14C15H15278.1°85.5°
C11C9H91H92118.8°119.4°
C9C11C12H111125.2°120.6°
C9C11C12H112125.2°120.6°
C9C11H111H112116.9°118.8°
C9C11C12C1356.3°59.1°
C9C11C12H12168.9°60.4°
C9C11C12H122178.4°178.6°
H91C9C11C1269.3°71.7°
H91C9C11H11155.9°48.9°
H91C9C11H112165.5°167.7°
H92C9C11C12178.9°168.9°
H92C9C11H11153.6°70.5°
H92C9C11H11255.9°48.3°
C12C11H111H112116.9°118.9°
C11C12C13H121125.3°119.5°
C11C12C13H122125.3°119.5°
C11C12H121H122118.4°120.9°
C11C12C13C1867.0°50.4°
C11C12C13C1456.4°68.0°
C11C12C13C17171.6°176.3°
H111C11C12C13178.4°179.6°
H111C11C12H12156.4°60.1°
H111C11C12H12253.2°60.9°
H112C11C12C1368.9°61.5°
H112C11C12H121165.9°179.0°
H112C11C12H12256.4°58.0°
C13C12H121H122118.3°121.0°
C12C13C18C14124.1°117.5°
C12C13C18C17128.6°131.0°
C12C13C14C17126.6°125.6°
C12C13C18H181180.0°59.3°
C12C13C18H18254.8°179.3°
C12C13C18H18354.8°60.7°
C12C13C14C15166.0°171.6°
C12C13C14H1456.8°53.6°
C12C13C17C16154.1°149.8°
C12C13C17C2070.6°92.2°
C12C13C17H1734.2°30.0°
H121C12C13C18167.8°169.9°
H121C12C13C1468.9°51.5°
H121C12C13C1746.4°64.2°
H122C12C13C1858.3°69.1°
H122C12C13C14178.3°172.5°
H122C12C13C1763.1°56.8°
C18C13C14C17112.2°115.8°
C13C18H181H182125.2°120.0°
C13C18H181H183125.2°120.0°
C13C18H182H183118.8°120.0°
C18C13C14C1572.7°69.9°
C18C13C14H14178.0°172.2°
C18C13C17C1684.0°84.3°
C18C13C17C2051.3°33.7°
C18C13C17H17156.1°156.0°
C14C13C18H18155.9°58.2°
C14C13C18H182178.9°61.8°
C14C13C18H18369.3°178.2°
C13C14C15H14126.3°117.6°
C13C14C15C1629.9°42.1°
C13C14C15H15195.4°76.2°
C13C14C15H152155.2°160.4°
C14C13C17C1631.8°31.4°
C14C13C17C20167.1°149.4°
C14C13C17H1788.1°88.4°
C17C13C18H18151.4°169.7°
C17C13C18H18273.8°49.7°
C17C13C18H183176.6°70.3°
C17C13C14C1539.4°45.9°
C17C13C14H1469.8°72.0°
C13C17C16C1516.1°5.3°
C13C17C16C20137.5°118.6°
C13C17C16H17116.3°119.4°
C13C17C20H17111.9°122.2°
C13C17C16H161109.2°114.4°
C13C17C16H162141.3°124.0°
C13C17C20C21165.0°180.0°
C13C17C20C2244.5°60.0°
C13C17C20H2072.1°60.0°
H181C18H182H183118.7°120.0°
C14C15C16H151125.3°118.3°
C14C15C16H152125.3°118.3°
C14C15H151H152120.7°123.4°
C14C15C16C178.6°23.2°
C14C15C16H161133.9°143.4°
C14C15C16H162116.7°95.1°
H14C14C15C1696.4°75.6°
H14C14C15H151138.3°166.2°
H14C14C15H15228.9°42.7°
C16C15H151H152120.7°123.4°
C15C16C17H161125.3°119.7°
C15C16C17H162125.3°118.8°
C15C16C17C20153.6°123.9°
C15C16C17H17100.2°114.1°
C15C16H161H162118.5°121.5°
H151C15C16C17116.7°95.0°
H151C15C16H1618.6°25.2°
H151C15C16H162118.0°146.7°
H152C15C16C17133.9°141.6°
H152C15C16H161100.8°98.2°
H152C15C16H1628.6°23.2°
C16C17C20H17117.0°122.3°
C17C16H161H162118.5°121.1°
C16C17C20C2163.9°64.5°
C16C17C20C22175.6°175.5°
C16C17C20H2059.0°55.5°
C20C17C16H16128.3°4.2°
C20C17C16H16281.2°117.3°
C17C20C21C22122.8°120.0°
C17C20C21H20120.6°120.0°
C17C20C22H20120.7°120.0°
C17C20C21H211180.0°180.0°
C17C20C21H21254.7°60.0°
C17C20C21H21354.7°60.0°
C17C20C22C23125.2°175.0°
C17C20C22H221109.6°65.0°
C17C20C22H2220.1°55.0°
H17C17C16H161134.5°126.2°
H17C17C16H16225.0°4.7°
H17C17C20C2153.1°57.8°
H17C17C20C2267.5°62.2°
H17C17C20H20176.0°177.8°
C21C20C22H20122.9°120.0°
C20C21H211H212125.3°120.1°
C20C21H211H213125.3°119.9°
C20C21H212H213120.3°120.0°
C21C20C22C23118.4°65.0°
C21C20C22H2216.9°55.0°
C21C20C22H222116.3°175.1°
C22C20C21H21157.2°60.0°
C22C20C21H212177.5°180.0°
C22C20C21H21368.1°60.0°
C20C22C23H221125.2°120.0°
C20C22C23H222125.2°120.0°
C20C22H221H222116.4°120.0°
C20C22C23H231180.0°60.0°
C20C22C23H23254.7°60.0°
C20C22C23H23354.7°180.0°
H20C20C21H21159.3°60.0°
H20C20C21H21265.9°60.0°
H20C20C21H213175.3°180.0°
H20C20C22C234.5°55.0°
H20C20C22H221129.8°175.0°
H20C20C22H222120.8°65.0°
H211C21H212H213120.4°120.0°
C23C22H221H222116.5°120.0°
C22C23H231H232125.3°120.0°
C22C23H231H233125.3°119.9°
C22C23H232H233116.4°120.0°
H221C22C23H23154.8°180.0°
H221C22C23H232179.9°60.0°
H221C22C23H23370.6°60.0°
H222C22C23H23154.8°60.0°
H222C22C23H23270.6°179.9°
H222C22C23H233179.9°60.0°
H231C23H232H233116.5°120.0°

226262

PDB entries from 2024-10-16

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