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AJM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C15sing1.43Å1.45Å
O1HO1sing0.97Å0.95Å
C15C5sing1.52Å1.53Å
C15C14sing1.53Å1.49Å
C15H15sing1.09Å1.12Å
C5C4sing1.53Å1.50Å
C5C6sing1.47Å1.49Å
C5C1sing1.55Å1.51Å
C4C3sing1.55Å1.49Å
C4H41sing1.09Å1.11Å
C4H42sing1.09Å1.12Å
C6C7doub1.38Å1.39ÅAromatic
C6C11sing1.42Å1.47ÅAromatic
C7C8sing1.39Å1.40ÅAromatic
C7H7sing1.08Å1.10Å
C8C9doub1.38Å1.41ÅAromatic
C8H8sing1.08Å1.10Å
C9C10sing1.39Å1.40ÅAromatic
C9H9sing1.08Å1.10Å
C11C10doub1.39Å1.39ÅAromatic
C11N1sing1.41Å1.37Å
C10H10sing1.08Å1.10Å
C14C13sing1.53Å1.28Å
C14C3sing1.55Å1.30Å
C14H14sing1.09Å1.12Å
C13C16sing1.54Å1.27Å
C13C12sing1.54Å1.48Å
C13H13sing1.09Å1.12Å
C16C17sing1.53Å1.30Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.12Å
C3N2sing1.47Å1.41Å
C3H3sing1.09Å1.12Å
N2C17sing1.46Å1.42Å
N2C2sing1.45Å1.41Å
C17O2sing1.43Å1.35Å
C17H17sing1.09Å1.11Å
O2HO2sing0.97Å0.95Å
C2C12sing1.54Å1.51Å
C2C1sing1.49Å1.32Å
C2H2sing1.09Å1.11Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.11Å
C1N1sing1.46Å1.35Å
C1H1sing1.09Å1.12Å
N1C18sing1.47Å1.45Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.12Å
C18H183sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15O1HO1126.5°106.7°
O1C15C5126.5°110.5°
O1C15C14119.2°109.4°
O1C15H1583.8°110.5°
C5C15C1497.0°103.8°
C5C15H15111.7°110.6°
C15C5C499.9°104.5°
C15C5C6126.8°122.5°
C15C5C1117.2°107.3°
C14C15H15120.5°111.8°
C15C14C13120.4°110.7°
C15C14C3108.6°107.1°
C15C14H14101.8°110.0°
C4C5C6112.2°111.5°
C4C5C197.0°109.0°
C5C4C393.0°100.3°
C5C4H41118.8°112.5°
C5C4H42118.7°109.5°
C6C5C1100.1°101.5°
C5C6C7132.6°133.1°
C5C6C11105.2°105.8°
C5C1C2115.4°111.6°
C5C1N1110.3°100.6°
C5C1H1119.0°107.0°
C3C4H41118.7°111.4°
C3C4H42118.7°111.4°
C4C3C14110.2°103.5°
C4C3N2115.5°105.5°
C4C3H3106.2°112.3°
H41C4H4291.5°111.3°
C7C6C11122.2°121.1°
C6C7C8117.4°117.5°
C6C7H7120.8°121.2°
C6C11C10118.5°120.5°
C6C11N1110.5°110.7°
C8C7H7121.7°121.2°
C7C8C9121.3°121.6°
C7C8H8119.1°119.2°
C9C8H8119.6°119.2°
C8C9C10122.0°121.7°
C8C9H9119.1°119.2°
C10C9H9119.0°119.1°
C9C10C11118.5°117.4°
C9C10H10121.0°121.3°
C10C11N1130.6°128.8°
C11C10H10120.4°121.3°
C11N1C1107.2°104.0°
C11N1C18119.6°106.7°
C13C14C3108.3°107.2°
C13C14H14102.3°110.2°
C14C13C16108.2°108.8°
C14C13C12112.2°109.3°
C14C13H13110.3°111.3°
C3C14H14115.6°111.6°
C14C3N2113.9°108.7°
C14C3H3108.2°114.0°
C16C13C12114.1°104.8°
C16C13H13108.1°111.3°
C13C16C17109.0°107.8°
C13C16H161112.4°109.8°
C13C16H162112.4°109.8°
C12C13H13103.8°111.2°
C13C12C295.6°106.9°
C13C12H121117.6°110.0°
C13C12H122117.6°110.0°
C17C16H161112.4°109.8°
C17C16H162112.4°109.8°
C16C17N2107.7°110.4°
C16C17O2117.3°109.1°
C16C17H17132.3°109.1°
H161C16H16298.0°109.8°
N2C3H3101.9°112.2°
C3N2C17109.3°106.4°
C3N2C294.1°111.2°
C17N2C2107.2°111.0°
N2C17O2132.5°109.3°
N2C17H1793.4°109.6°
N2C2C12110.8°109.3°
N2C2C1116.3°115.9°
N2C2H2105.8°108.1°
O2C17H1767.7°109.2°
C17O2HO2117.3°106.8°
C12C2C1115.4°107.2°
C12C2H2107.0°107.9°
C2C12H121117.7°109.9°
C2C12H122117.7°109.9°
C1C2H2100.1°108.1°
C2C1N1128.1°121.7°
C2C1H184.2°107.6°
H121C12H12292.6°110.0°
N1C1H194.4°107.4°
C1N1C18118.3°106.7°
N1C18H181119.6°109.5°
N1C18H182108.5°109.4°
N1C18H183108.5°109.5°
H181C18H182108.6°109.5°
H181C18H183108.6°109.5°
H182C18H183101.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C15C5C14134.7°117.2°
O1C15C5H1598.6°122.7°
O1C15C14H15100.7°122.8°
O1C15C5C487.4°82.1°
O1C15C5C640.2°45.8°
O1C15C5C1169.4°162.3°
O1C15C14C13116.7°135.6°
O1C15C14C3117.7°107.8°
O1C15C14H144.7°13.6°
HO1O1C15C5180.0°180.0°
HO1O1C15C1454.0°66.3°
HO1O1C15H1567.6°57.3°
C5C15C14H15120.3°119.2°
C15C5C4C6136.8°134.3°
C15C5C4C1119.3°114.4°
C15C5C6C1135.6°119.3°
C15C5C4C352.6°45.8°
C15C5C4H41177.9°72.7°
C15C5C4H4272.6°163.1°
C15C5C6C728.9°33.7°
C15C5C6C11153.3°144.0°
C5C15C14C13104.2°106.4°
C5C15C14C321.3°10.2°
C5C15C14H14143.8°131.7°
C15C5C1C238.0°60.7°
C15C5C1N1167.2°168.8°
C15C5C1H159.8°56.8°
C14C15C5C447.3°35.1°
C14C15C5C6174.9°163.0°
C14C15C5C155.9°80.5°
C15C14C3C413.2°17.7°
C15C14C13C3125.7°116.5°
C15C14C13H14111.8°121.9°
C15C14C3H14113.7°120.4°
C15C14C13C16178.2°159.6°
C15C14C13C1251.5°45.8°
C15C14C13H1363.7°77.4°
C15C14C3N2118.5°94.2°
C15C14C3H3128.9°140.0°
H15C15C5C4174.0°155.1°
H15C15C5C658.4°77.0°
H15C15C5C170.8°39.5°
H15C15C14C1316.1°12.8°
H15C15C14C3141.6°129.4°
H15C15C14H1495.9°109.1°
C4C5C6C1101.9°115.9°
C5C4C3H41125.3°119.3°
C5C4C3H42125.2°115.9°
C5C4H41H42124.2°123.3°
C4C5C6C793.6°91.1°
C4C5C6C1184.2°91.2°
C5C4C3C1442.1°38.2°
C5C4C3N288.8°75.9°
C5C4C3H3159.0°161.6°
C4C5C1C267.0°51.9°
C4C5C1N187.9°78.6°
C4C5C1H1164.7°169.4°
C6C5C4C3170.6°179.8°
C6C5C4H4145.3°61.7°
C6C5C4H4264.2°62.6°
C5C6C7C11177.5°177.4°
C5C6C7C8179.0°179.4°
C5C6C7H71.1°0.6°
C5C6C11C10179.5°175.9°
C5C6C11N15.4°0.7°
C6C5C1C2178.9°169.7°
C6C5C1N126.3°39.1°
C6C5C1H181.2°72.9°
C1C5C4C366.7°68.6°
C1C5C4H4158.6°172.9°
C1C5C4H42168.1°48.7°
C1C5C6C7164.5°153.0°
C1C5C6C1117.7°24.7°
C5C1N1C1124.1°39.2°
C5C1C2N261.1°39.6°
C5C1C2C1271.2°82.8°
C5C1C2N1149.5°118.5°
C5C1C2H1119.4°117.1°
C5C1C2H2174.4°161.1°
C5C1N1H1123.2°111.7°
C5C1N1C18163.1°151.8°
C3C4H41H42124.2°124.9°
C4C3C14C13145.5°136.5°
C4C3C14N2131.7°111.9°
C4C3C14H3115.8°122.3°
C4C3C14H14100.5°102.7°
C4C3N2H3114.7°122.6°
C4C3N2C17176.9°172.7°
C4C3N2C273.2°66.4°
H41C4C3C14167.4°81.1°
H41C4C3N236.5°164.8°
H41C4C3H375.7°42.3°
H42C4C3C1483.2°154.0°
H42C4C3N2146.0°39.9°
H42C4C3H333.8°82.6°
C6C7C8H7180.0°180.0°
C6C7C8C90.2°0.1°
C6C7C8H8179.8°180.0°
C7C6C11C102.5°6.1°
C7C6C11N1176.5°177.4°
C11C6C7C81.5°3.2°
C11C6C7H7178.5°176.8°
C6C11C10C92.0°5.6°
C6C11C10N1172.6°175.9°
C6C11C10H10178.0°177.2°
C6C11N1C111.4°25.5°
C6C11N1C18149.8°138.1°
C7C8C9H8180.0°179.9°
C7C8C9C100.2°0.2°
C7C8C9H9179.7°179.8°
H7C7C8C9179.9°179.9°
H7C7C8H80.2°0.1°
C8C9C10H9180.0°180.0°
C8C9C10C110.7°2.6°
C8C9C10H10179.2°179.8°
H8C8C9C10179.8°179.7°
H8C8C9H90.2°0.3°
C9C10C11H10180.0°177.3°
C9C10C11N1174.6°178.6°
H9C9C10C11179.3°177.5°
H9C9C10H100.7°0.2°
C10C11N1C1161.6°158.3°
C10C11N1C1823.3°45.8°
N1C11C10H105.4°1.3°
C11N1C1C2174.9°163.0°
C11N1C1C18139.0°112.5°
C11N1C1H199.1°72.5°
C11N1C18H181180.0°50.7°
C11N1C18H18254.8°69.3°
C11N1C18H18354.7°170.7°
C13C14C3H14114.0°120.7°
C14C13C16C12125.6°116.7°
C14C13C16H13119.4°123.0°
C14C13C12H13119.0°123.2°
C14C13C16C1784.7°66.9°
C14C13C16H16140.6°52.6°
C14C13C16H162150.0°173.4°
C13C14C3N213.8°24.7°
C13C14C3H398.7°101.2°
C14C13C12C246.2°42.9°
C14C13C12H121171.5°76.4°
C14C13C12H12279.1°162.2°
C3C14C13C1652.5°43.1°
C3C14C13C1274.3°70.7°
C3C14C13H13170.6°166.1°
C14C3N2H3116.2°126.9°
C14C3N2C1754.0°76.8°
C14C3N2C255.9°44.1°
H14C14C13C1670.0°78.5°
H14C14C13C12163.2°167.6°
H14C14C13H1348.0°44.5°
H14C14C3N2127.8°145.4°
H14C14C3H315.3°19.6°
C16C13C12H13117.5°120.3°
C13C16C17H161125.3°119.5°
C13C16C17H162125.3°119.6°
C13C16H161H162118.3°120.8°
C13C16C17N236.3°16.7°
C13C16C17O2159.6°136.9°
C13C16C17H1775.7°103.9°
C16C13C12C277.3°73.5°
C16C13C12H12148.0°167.1°
C16C13C12H122157.4°45.8°
C12C13C16C1740.9°49.8°
C12C13C16H161166.2°169.3°
C12C13C16H16284.4°69.8°
C13C12C2N231.7°24.7°
C13C12C2H121125.2°119.3°
C13C12C2H122125.2°119.4°
C13C12C2C1103.1°101.8°
C13C12C2H2146.6°142.0°
C13C12H121H122123.2°121.3°
H13C13C16C17155.9°170.1°
H13C13C16H16178.8°70.4°
H13C13C16H16230.6°50.5°
H13C13C12C2165.3°166.1°
H13C13C12H12169.4°46.8°
H13C13C12H12240.0°74.5°
C17C16H161H162118.3°120.9°
C16C17N2C325.5°51.6°
C16C17N2O2160.8°120.1°
C16C17N2H17136.6°120.3°
C16C17N2C275.4°69.5°
C16C17O2H17127.3°119.2°
C16C17O2HO2180.0°60.0°
H161C16C17N289.0°102.8°
H161C16C17O275.2°17.4°
H161C16C17H17159.0°136.6°
H162C16C17N2161.6°136.3°
H162C16C17O234.3°103.5°
H162C16C17H1749.6°15.7°
C3N2C17C2100.9°121.1°
C3N2C17O2135.3°68.5°
C3N2C17H17162.0°171.8°
C3N2C2C1280.9°73.5°
C3N2C2C153.4°47.8°
C3N2C2H2163.4°169.3°
H3C3N2C1762.2°50.1°
H3C3N2C2172.1°171.1°
N2C17O2H1773.3°119.9°
N2C17O2HO220.6°179.2°
C17N2C2C1230.8°44.7°
C17N2C2C1165.1°166.0°
C17N2C2H284.9°72.5°
C2N2C17O2123.8°170.4°
C2N2C17H1761.2°50.8°
N2C2C12C1134.8°126.4°
N2C2C12H2114.9°117.4°
N2C2C1H2113.3°121.5°
N2C2C12H12193.5°144.0°
N2C2C12H122156.9°94.7°
N2C2C1N188.4°79.0°
N2C2C1H1179.5°156.6°
H17C17O2HO252.7°59.2°
C12C2C1H2114.4°116.1°
C2C12H121H122123.3°121.2°
C12C2C1N1139.3°158.7°
C12C2C1H148.2°34.3°
C1C2C12H121131.7°17.6°
C1C2C12H12222.1°138.8°
C2C1N1H186.1°124.5°
C2C1N1C1846.2°84.5°
H2C2C12H12121.4°98.6°
H2C2C12H12288.2°22.6°
H2C2C1N124.9°42.6°
H2C2C1H166.2°81.9°
C1N1C18H18146.1°60.0°
C1N1C18H18279.1°180.0°
C1N1C18H183171.4°60.0°
H1C1N1C1839.9°40.1°
N1C18H181H182125.2°120.0°
N1C18H181H183125.2°120.0°
N1C18H182H183114.2°120.0°
H181C18H182H183114.3°120.0°

222415

PDB entries from 2024-07-10

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