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114

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1AC1doub1.21Å1.35Å
O1BC1sing1.34Å1.25Å
O1BH1Bsing0.97Å0.95Å
O3C3sing1.43Å1.42Å
O3HO3sing0.97Å0.95Å
O5C5sing1.43Å1.42Å
O5HO5sing0.97Å0.95Å
O14C14sing1.45Å1.47Å
O14C18sing1.34Å1.39Å
O18C18doub1.21Å1.23Å
C1C2sing1.51Å1.54Å
C2C3sing1.53Å1.54Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C3C4sing1.53Å1.53Å
C3H3sing1.09Å1.10Å
C4C5sing1.53Å1.54Å
C4H41sing1.09Å1.10Å
C4H42sing1.09Å1.10Å
C5C6sing1.53Å1.53Å
C5H5sing1.09Å1.10Å
C6C7sing1.53Å1.54Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C7C8sing1.53Å1.55Å
C7H71sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C8C9sing1.53Å1.58Å
C8C13sing1.53Å1.58Å
C8H8sing1.09Å1.10Å
C9C10sing1.50Å1.53Å
C9C9Asing1.53Å1.53Å
C9H9sing1.09Å1.10Å
C10C11doub1.32Å1.37Å
C10H10sing1.08Å1.08Å
C11C12sing1.48Å1.37Å
C11H11sing1.08Å1.08Å
C12C17doub1.32Å1.37Å
C12C13sing1.50Å1.57Å
C17C16sing1.51Å1.54Å
C17H17sing1.08Å1.08Å
C16C15sing1.53Å1.56Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C15C14sing1.53Å1.56Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C14C13sing1.51Å1.57Å
C14H14sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C9AH9A1sing1.09Å1.10Å
C9AH9A2sing1.09Å1.10Å
C9AH9A3sing1.09Å1.10Å
C18C19sing1.51Å1.55Å
C19C20sing1.53Å1.56Å
C19C22sing1.53Å1.56Å
C19H19sing1.09Å1.10Å
C20C21sing1.53Å1.55Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C21H213sing1.09Å1.10Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C22H223sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1AC1O1B123.7°120.0°
O1AC1C2112.4°120.0°
C1O1BH1B109.5°117.0°
O1BC1C2123.9°120.0°
C3O3HO3109.5°114.0°
O3C3C2107.9°109.4°
O3C3C4108.3°109.5°
O3C3H3110.6°109.5°
C5O5HO5109.5°113.9°
O5C5C4107.6°109.5°
O5C5C6109.5°109.5°
O5C5H5110.9°109.4°
C14O14C18118.1°117.0°
O14C14C15110.8°109.0°
O14C14C13110.2°109.0°
O14C14H14109.2°109.0°
O14C18O18124.6°120.0°
O14C18C19112.6°120.0°
O18C18C19122.8°120.0°
C1C2C3113.4°109.5°
C1C2H21108.5°109.5°
C1C2H22108.5°109.5°
C3C2H21108.5°109.5°
C3C2H22108.5°109.4°
C2C3C4112.2°109.5°
C2C3H3108.9°109.5°
H21C2H22109.4°109.5°
C4C3H3109.0°109.5°
C3C4C5112.2°109.5°
C3C4H41108.8°109.4°
C3C4H42108.8°109.5°
C5C4H41108.8°109.5°
C5C4H42108.8°109.4°
C4C5C6110.4°109.5°
C4C5H5109.2°109.5°
H41C4H42109.5°109.5°
C6C5H5109.3°109.4°
C5C6C7114.0°109.5°
C5C6H61108.3°109.5°
C5C6H62108.3°109.5°
C7C6H61108.3°109.5°
C7C6H62108.3°109.4°
C6C7C8113.0°109.5°
C6C7H71108.6°109.5°
C6C7H72108.6°109.5°
H61C6H62109.5°109.5°
C8C7H71108.6°109.5°
C8C7H72108.6°109.5°
C7C8C9114.6°109.6°
C7C8C13115.8°109.6°
C7C8H8104.5°109.6°
H71C7H72109.5°109.4°
C9C8C13111.9°108.7°
C9C8H8104.2°109.6°
C8C9C10110.3°111.7°
C8C9C9A113.7°109.0°
C8C9H9108.2°109.0°
C13C8H8104.2°109.8°
C8C13C12111.4°108.1°
C8C13C14115.9°112.2°
C8C13H13104.4°107.2°
C10C9C9A107.1°109.1°
C10C9H9108.7°109.1°
C9C10C11123.9°124.2°
C9C10H10118.0°117.9°
C9AC9H9108.8°108.9°
C9C9AH9A1109.5°109.5°
C9C9AH9A2109.5°109.5°
C9C9AH9A3109.4°109.5°
C11C10H10118.0°117.9°
C10C11C12123.0°119.7°
C10C11H11118.5°120.1°
C12C11H11118.5°120.2°
C11C12C17119.2°119.4°
C11C12C13121.0°116.8°
C17C12C13119.8°123.7°
C12C17C16124.5°120.9°
C12C17H17117.7°119.6°
C12C13C14114.6°114.8°
C12C13H13104.5°107.2°
C16C17H17117.7°119.6°
C17C16C15115.5°107.7°
C17C16H161107.9°109.9°
C17C16H162107.9°109.8°
C15C16H161107.9°109.9°
C15C16H162108.0°109.8°
C16C15C14113.1°108.4°
C16C15H151108.6°109.6°
C16C15H152108.6°109.8°
H161C16H162109.5°109.9°
C14C15H151108.6°109.6°
C14C15H152108.5°109.7°
C15C14C13110.6°112.0°
C15C14H14108.0°108.9°
H151C15H152109.5°109.7°
C13C14H14107.9°108.9°
C14C13H13104.5°106.9°
H9A1C9AH9A2109.5°109.4°
H9A1C9AH9A3109.4°109.4°
H9A2C9AH9A3109.5°109.5°
C18C19C20113.5°109.5°
C18C19C22113.5°109.5°
C18C19H19105.5°109.5°
C20C19C22112.5°109.5°
C20C19H19105.5°109.5°
C19C20C21116.7°109.5°
C19C20H201107.6°109.4°
C19C20H202107.6°109.5°
C22C19H19105.4°109.5°
C19C22H221109.5°109.5°
C19C22H222109.5°109.5°
C19C22H223109.5°109.5°
C21C20H201107.6°109.5°
C21C20H202107.6°109.5°
C20C21H211109.5°109.5°
C20C21H212109.4°109.5°
C20C21H213109.5°109.5°
H201C20H202109.5°109.5°
H211C21H212109.5°109.4°
H211C21H213109.5°109.5°
H212C21H213109.5°109.5°
H221C22H222109.5°109.5°
H221C22H223109.5°109.5°
H222C22H223109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1AC1O1BC2179.9°180.0°
O1AC1O1BH1B0.0°0.0°
O1AC1C2C3111.4°0.0°
O1AC1C2H21128.0°120.0°
O1AC1C2H229.2°120.0°
O1BC1C2C368.7°180.0°
O1BC1C2H2151.9°60.0°
O1BC1C2H22170.7°60.0°
H1BO1BC1C2179.9°180.0°
O3C3C2C168.9°65.0°
O3C3C2C4119.2°120.0°
O3C3C2H3120.0°120.0°
O3C3C2H21170.4°175.0°
O3C3C2H2251.6°55.0°
O3C3C4H3120.4°120.0°
O3C3C4C574.0°65.0°
O3C3C4H41165.6°175.0°
O3C3C4H4246.4°55.0°
HO3O3C3C2180.0°60.0°
HO3O3C3C458.3°60.0°
HO3O3C3H361.0°180.0°
O5C5C4C3172.3°65.0°
O5C5C4C6119.4°120.1°
O5C5C4H5120.4°120.0°
O5C5C4H4167.3°175.1°
O5C5C4H4251.9°55.0°
O5C5C6H5121.6°119.9°
O5C5C6C775.7°64.9°
O5C5C6H61163.6°175.0°
O5C5C6H6245.0°55.0°
HO5O5C5C4180.0°60.0°
HO5O5C5C660.0°60.1°
HO5O5C5H560.7°180.0°
C14O14C18O180.0°0.0°
O14C14C13C856.2°19.8°
O14C14C13C1275.8°143.8°
O14C14C15C1669.6°178.8°
O14C14C15C13122.5°120.7°
O14C14C15H14119.6°118.7°
O14C14C15H15150.9°59.2°
O14C14C15H152169.8°61.3°
O14C14C13H14119.2°118.8°
O14C14C13H13170.5°97.5°
C14O14C18C19179.8°180.0°
O14C18O18C19179.9°180.0°
C18O14C14C1593.6°90.0°
C18O14C14C13143.7°147.5°
C18O14C14H1425.3°28.7°
O14C18C19C2044.0°180.0°
O14C18C19C22174.1°60.0°
O14C18C19H1971.0°60.0°
O18C18C19C20136.2°0.0°
O18C18C19C226.0°120.0°
O18C18C19H19108.9°120.0°
C1C2C3H21120.6°120.0°
C1C2C3H22120.6°120.0°
C1C2H21H22118.2°120.0°
C1C2C3C4171.8°175.0°
C1C2C3H351.1°55.0°
C3C2H21H22118.2°120.0°
C2C3C4H3120.7°120.0°
C2C3C4C5167.1°175.0°
C2C3C4H4146.7°55.1°
C2C3C4H4272.6°65.0°
H21C2C3C451.2°55.0°
H21C2C3H369.5°65.0°
H22C2C3C467.6°64.9°
H22C2C3H3171.7°175.0°
C3C4C5H41120.4°119.9°
C3C4C5H42120.4°120.0°
C3C4H41H42118.7°120.0°
C3C4C5C668.2°174.9°
C3C4C5H552.0°55.0°
H3C3C4C546.4°55.0°
H3C3C4H4174.0°65.0°
H3C3C4H42166.8°175.0°
C5C4H41H42118.7°120.0°
C4C5C6H5120.1°120.0°
C4C5C6C7166.1°175.0°
C4C5C6H6145.4°55.0°
C4C5C6H6273.3°65.1°
H41C4C5C652.2°55.0°
H41C4C5H5172.4°64.9°
H42C4C5C6171.4°65.0°
H42C4C5H568.4°175.0°
C5C6C7H61120.6°120.0°
C5C6C7H62120.7°120.0°
C5C6H61H62117.9°120.0°
C5C6C7C8176.9°180.0°
C5C6C7H7162.6°60.0°
C5C6C7H7256.4°60.0°
H5C5C6C745.9°55.0°
H5C5C6H6174.7°65.0°
H5C5C6H62166.6°174.9°
C7C6H61H62117.9°120.0°
C6C7C8H71120.5°120.0°
C6C7C8H72120.5°120.0°
C6C7H71H72118.4°120.0°
C6C7C8C954.5°41.1°
C6C7C8C13172.9°160.3°
C6C7C8H858.8°79.2°
H61C6C7C856.3°60.0°
H61C6C7H71176.8°NaN°
H61C6C7H7264.3°60.1°
H62C6C7C862.4°60.0°
H62C6C7H7158.1°60.0°
H62C6C7H72177.1°179.9°
C8C7H71H72118.4°120.0°
C7C8C9C13134.4°119.8°
C7C8C9H8113.6°120.3°
C7C8C13H8114.2°120.4°
C7C8C9C10179.7°169.4°
C7C8C9C9A59.4°48.7°
C7C8C9H961.5°70.0°
C7C8C13C12179.8°177.9°
C7C8C13C1446.4°50.3°
C7C8C13H1367.9°66.8°
H71C7C8C966.0°78.9°
H71C7C8C1366.6°40.3°
H71C7C8H8179.4°160.8°
H72C7C8C9175.1°161.1°
H72C7C8C1352.3°79.7°
H72C7C8H861.7°40.8°
C9C8C13H8112.0°119.9°
C8C9C10C9A124.2°120.6°
C8C9C10H9118.5°120.5°
C8C9C9AH9120.6°118.8°
C8C9C10C1122.9°19.3°
C8C9C10H10157.1°160.7°
C9C8C13C1246.4°62.3°
C9C8C13C14179.8°170.1°
C9C8C13H1365.9°53.0°
C8C9C9AH9A1180.0°60.1°
C8C9C9AH9A260.0°180.0°
C8C9C9AH9A360.0°59.9°
C13C8C9C1045.2°49.6°
C13C8C9C9A75.1°71.0°
C13C8C9H9164.1°170.2°
C8C13C12C1124.4°45.5°
C8C13C12C17155.3°134.4°
C8C13C12C14134.0°126.1°
C8C13C12H13112.2°115.3°
C8C13C14C15179.0°100.9°
C8C13C14H13114.3°117.3°
C8C13C14H1463.0°138.6°
H8C8C9C1066.8°70.3°
H8C8C9C9A172.9°169.0°
H8C8C9H952.0°50.2°
H8C8C13C1265.6°57.6°
H8C8C13C1467.8°70.0°
H8C8C13H13177.9°172.9°
C10C9C9AH9117.4°118.9°
C9C10C11H10180.0°180.0°
C9C10C11C120.5°0.8°
C9C10C11H11179.5°179.2°
C10C9C9AH9A157.9°62.2°
C10C9C9AH9A2177.9°57.7°
C10C9C9AH9A362.1°177.8°
C9AC9C10C11101.3°101.3°
C9AC9C10H1078.7°78.7°
C9C9AH9A1H9A2120.0°120.0°
C9C9AH9A1H9A3120.0°120.1°
C9C9AH9A2H9A3120.0°120.1°
H9C9C10C11141.3°139.8°
H9C9C10H1038.6°40.1°
H9C9C9AH9A159.5°178.9°
H9C9C9AH9A260.5°61.2°
H9C9C9AH9A3179.4°58.9°
C10C11C12H11180.0°180.0°
C10C11C12C17179.6°165.1°
C10C11C12C130.1°14.8°
H10C10C11C12179.5°179.2°
H10C10C11H110.5°0.9°
C11C12C17C13179.7°179.9°
C11C12C17C16179.6°177.3°
C11C12C17H170.4°2.6°
C11C12C13C14158.4°171.6°
C11C12C13H1387.9°69.8°
H11C11C12C170.4°14.9°
H11C11C12C13179.8°165.2°
C12C17C16H17180.0°179.9°
C12C17C16C156.2°32.9°
C12C17C16H161114.7°152.5°
C12C17C16H162127.1°86.6°
C17C12C13C1421.3°8.2°
C17C12C13H1392.4°110.4°
C13C12C17C160.2°2.6°
C13C12C17H17179.8°177.5°
C12C13C14C1547.0°23.1°
C12C13C14H13113.8°118.8°
C12C13C14H14165.0°97.4°
C17C16C15H161120.9°119.6°
C17C16C15H162120.9°119.5°
C17C16H161H162117.3°120.9°
C17C16C15C1433.1°61.9°
C17C16C15H151153.6°57.8°
C17C16C15H15287.4°178.3°
H17C17C16C15173.8°147.0°
H17C17C16H16165.3°27.4°
H17C17C16H16252.9°93.5°
C15C16H161H162117.3°120.9°
C16C15C14H151120.5°119.6°
C16C15C14H152120.5°119.8°
C16C15H151H152118.4°120.6°
C16C15C14C1352.9°58.1°
C16C15C14H14170.8°62.4°
H161C16C15C1487.8°178.5°
H161C16C15H15132.8°61.8°
H161C16C15H152151.7°58.7°
H162C16C15C14153.9°57.6°
H162C16C15H15185.5°177.2°
H162C16C15H15233.4°62.2°
C14C15H151H152118.3°120.5°
C15C14C13H14118.0°120.5°
C15C14C13H1366.7°141.8°
H151C15C14C13173.4°61.5°
H151C15C14H1468.7°177.9°
H152C15C14C1367.7°178.0°
H152C15C14H1450.2°57.4°
H14C14C13H1351.3°21.3°
H9A1C9AH9A2H9A3120.0°119.9°
C18C19C20C22130.6°120.0°
C18C19C20H19115.0°120.0°
C18C19C22H19114.9°120.0°
C18C19C20C2188.4°175.0°
C18C19C20H20132.7°65.0°
C18C19C20H202150.6°55.0°
C18C19C22H221180.0°180.0°
C18C19C22H22260.0°60.0°
C18C19C22H22360.0°60.0°
C20C19C22H19114.4°120.0°
C19C20C21H201121.0°119.9°
C19C20C21H202121.0°120.0°
C19C20H201H202116.7°120.0°
C19C20C21H211180.0°180.0°
C19C20C21H21260.0°60.0°
C19C20C21H21360.0°60.0°
C20C19C22H22149.4°60.0°
C20C19C22H222169.4°180.0°
C20C19C22H22370.7°60.0°
C22C19C20C2142.2°65.0°
C22C19C20H201163.3°55.0°
C22C19C20H20278.8°175.0°
C19C22H221H222120.0°120.0°
C19C22H221H223120.0°120.0°
C19C22H222H223120.0°120.0°
H19C19C20C21156.6°55.0°
H19C19C20H20182.3°175.0°
H19C19C20H20235.6°65.0°
H19C19C22H22165.0°60.0°
H19C19C22H22255.0°60.0°
H19C19C22H223174.9°180.0°
C21C20H201H202116.7°120.0°
C20C21H211H212120.0°120.0°
C20C21H211H213120.0°120.0°
C20C21H212H213120.0°120.0°
H201C20C21H21159.0°60.1°
H201C20C21H212179.0°180.0°
H201C20C21H21361.1°60.0°
H202C20C21H21159.0°60.0°
H202C20C21H21261.0°60.0°
H202C20C21H213179.0°180.0°
H211C21H212H213120.0°120.0°
H221C22H222H223120.0°120.0°

222926

PDB entries from 2024-07-24

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