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NDR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O22C21doub1.21Å1.18Å
C21C20sing1.52Å1.52Å
C21C19sing1.47Å1.49Å
C20C18sing1.53Å1.57Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C19C17doub1.33Å1.44Å
C19H19sing1.08Å1.08Å
C17C15sing1.52Å1.55Å
C17C14sing1.50Å1.41Å
C15C9sing1.53Å1.55Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C14C18sing1.52Å1.56Å
C14C8sing1.53Å1.44Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C8C3sing1.54Å1.42Å
C8C13sing1.53Å1.55Å
C3C9sing1.53Å1.56Å
C3C1sing1.52Å1.43Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C13C6sing1.54Å1.55Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C6C2sing1.52Å1.54Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C2C1sing1.55Å1.52Å
C2C7sing1.53Å1.57Å
C2C5sing1.53Å1.52Å
C1C4sing1.53Å1.52Å
C7H71sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C7H73sing1.09Å1.10Å
C5O12sing1.43Å1.43Å
C5C10sing1.55Å1.54Å
C5C11sing1.47Å1.49Å
O12H12sing0.97Å0.95Å
C10C4sing1.55Å1.55Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C4H41sing1.09Å1.10Å
C4H42sing1.09Å1.10Å
C11C16trip1.17Å1.28Å
C16H16sing1.05Å1.06Å
C14H23sing1.09Å1.10Å
C8H24sing1.09Å1.10Å
C3H25sing1.09Å1.10Å
C1H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O22C21C20122.5°121.8°
O22C21C19116.2°121.8°
C20C21C19121.2°116.4°
C21C20C18109.9°107.4°
C21C20H201109.3°109.9°
C21C20H202109.2°109.9°
C21C19C17114.9°120.0°
C21C19H19122.5°120.0°
C18C20H201109.3°109.9°
C18C20H202109.2°109.9°
C20C18C14113.8°111.7°
C20C18H181108.0°109.0°
C20C18H182107.0°109.1°
H201C20H202109.8°109.9°
C17C19H19122.5°120.0°
C19C17C15114.0°117.7°
C19C17C14128.9°123.6°
C15C17C14117.0°118.7°
C17C15C9115.5°108.8°
C17C15H151107.5°109.6°
C17C15H152106.1°109.5°
C17C14C18113.2°114.2°
C17C14C8117.6°110.0°
C17C14H23102.5°108.0°
C9C15H151107.5°109.6°
C9C15H152106.1°109.6°
C15C9C3112.3°109.2°
C15C9H91108.5°109.5°
C15C9H92107.9°109.5°
H151C15H152114.3°109.7°
C18C14C8115.0°109.4°
C14C18H181108.1°109.0°
C14C18H182107.1°109.1°
C18C14H23106.0°107.8°
C14C8C3123.2°109.5°
C14C8C13115.6°109.2°
C8C14H2399.9°107.3°
C14C8H2492.8°108.9°
H181C18H182112.9°109.0°
C3C8C13115.0°111.8°
C8C3C9113.2°109.0°
C8C3C1121.4°107.6°
C3C8H2493.9°109.0°
C8C3H2598.5°110.0°
C8C13C6113.6°111.7°
C8C13H131108.1°109.1°
C8C13H132107.2°109.0°
C13C8H24109.1°108.5°
C9C3C1114.6°109.7°
C3C9H91108.6°109.5°
C3C9H92107.9°109.6°
C9C3H25109.0°110.1°
C3C1C2120.7°107.2°
C3C1C4125.5°115.8°
C1C3H2596.2°110.5°
C3C1H2679.4°110.2°
H91C9H92111.7°109.5°
C6C13H131108.1°109.0°
C6C13H132107.2°109.0°
C13C6C2115.5°107.1°
C13C6H61107.5°109.9°
C13C6H62106.1°109.9°
H131C13H132112.8°109.0°
C2C6H61107.5°109.9°
C2C6H62106.1°109.9°
C6C2C1105.8°107.2°
C6C2C7109.2°109.8°
C6C2C5120.6°116.4°
H61C6H62114.3°110.0°
C1C2C7108.8°109.8°
C1C2C5103.1°103.3°
C2C1C4106.7°101.7°
C2C1H26114.2°110.4°
C7C2C5108.6°110.0°
C2C7H71109.5°109.5°
C2C7H72109.5°109.5°
C2C7H73109.4°109.5°
C2C5O12116.9°110.3°
C2C5C10104.3°105.3°
C2C5C11110.1°110.3°
C1C4C10105.4°102.9°
C1C4H41110.9°110.7°
C1C4H42111.7°110.8°
C4C1H26105.5°110.9°
H71C7H72109.5°109.4°
H71C7H73109.5°109.5°
H72C7H73109.5°109.5°
O12C5C10111.3°110.2°
O12C5C11107.4°110.3°
C5O12H12109.5°114.0°
C10C5C11106.4°110.4°
C5C10C4106.5°106.4°
C5C10H101110.5°110.1°
C5C10H102111.1°110.1°
C5C11C16173.5°180.0°
C4C10H101110.5°110.0°
C4C10H102111.1°110.1°
C10C4H41110.8°110.7°
C10C4H42111.7°110.8°
H101C10H102107.2°110.1°
H41C4H42106.3°110.7°
C11C16H16180.0°179.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O22C21C20C19175.9°179.8°
O22C21C20C18149.6°130.5°
O22C21C20H20129.6°10.9°
O22C21C20H20290.6°110.1°
O22C21C19C17176.5°158.6°
O22C21C19H193.5°21.4°
C21C20C18H201120.0°119.5°
C21C20C18H202119.8°119.5°
C21C20H201H202119.8°121.0°
C20C21C19C177.4°21.6°
C20C21C19H19172.6°158.4°
C21C20C18C1449.1°57.7°
C21C20C18H18171.0°62.7°
C21C20C18H182167.1°178.4°
C19C21C20C1834.5°49.8°
C19C21C20H201154.5°169.3°
C19C21C20H20285.3°69.7°
C21C19C17H19180.0°180.0°
C21C19C17C15175.8°179.2°
C21C19C17C147.0°0.2°
C18C20H201H202119.8°121.0°
C20C18C14C1737.6°39.0°
C20C18C14H181120.0°120.4°
C20C18C14H182118.1°120.7°
C20C18C14C8176.7°162.7°
C20C18H181H182118.2°118.9°
C20C18C14H2374.0°81.0°
H201C20C18C14169.0°177.2°
H201C20C18H18149.0°56.8°
H201C20C18H18272.9°62.1°
H202C20C18C1470.8°61.8°
H202C20C18H181169.2°177.8°
H202C20C18H18247.3°58.9°
C19C17C15C14177.5°179.4°
C19C17C15C9143.0°131.3°
C19C17C15H15197.0°108.8°
C19C17C15H15225.7°11.5°
C19C17C14C188.9°9.2°
C19C17C14C8146.9°132.5°
C19C17C14H23104.8°110.7°
H19C19C17C154.2°0.8°
H19C19C17C14173.0°179.8°
C17C15C9H151120.0°119.8°
C17C15C9H152117.3°119.8°
C17C15H151H152117.6°120.3°
C15C17C14C18168.2°171.5°
C15C17C14C830.2°48.1°
C17C15C9C338.5°55.3°
C17C15C9H91158.6°175.2°
C17C15C9H9280.3°64.7°
C15C17C14H2378.1°68.7°
C14C17C15C934.5°49.3°
C14C17C15H15185.5°70.6°
C14C17C15H152151.8°169.0°
C17C14C18C8139.1°123.7°
C17C14C18H23111.6°120.0°
C17C14C8H23109.8°117.3°
C17C14C18H18182.4°81.4°
C17C14C18H182155.7°159.7°
C17C14C8C334.7°52.9°
C17C14C8C13174.5°175.6°
C17C14C8H2461.7°66.2°
C9C15H151H152117.5°120.4°
C15C9C3C839.9°65.1°
C15C9C3H91120.0°119.9°
C15C9C3H92118.8°119.9°
C15C9C3C1175.0°177.4°
C15C9H91H92118.8°120.1°
C15C9C3H2568.6°55.5°
H151C15C9C381.5°64.5°
H151C15C9H9138.6°55.4°
H151C15C9H92159.7°175.5°
H152C15C9C3155.8°175.1°
H152C15C9H9184.2°65.0°
H152C15C9H9237.0°55.1°
C18C14C8H23113.0°116.6°
C14C18H181H182118.2°119.0°
C18C14C8C3171.9°179.0°
C18C14C8C1337.3°58.3°
C18C14C8H2475.5°59.9°
C8C14C18H18156.7°42.2°
C8C14C18H18265.2°76.7°
C14C8C3C13150.9°121.1°
C14C8C3H2495.9°119.0°
C14C8C13H24102.8°118.5°
C14C8C3C939.3°63.5°
C14C8C3C1178.3°177.7°
C14C8C13C6174.4°175.2°
C14C8C13H13154.4°64.2°
C14C8C13H13267.4°54.7°
C14C8C3H2575.7°57.3°
H181C18C14H23166.0°158.6°
H182C18C14H2344.1°39.7°
C3C8C13H24104.0°120.2°
C8C3C9C1145.1°117.5°
C8C3C9H25108.5°120.7°
C8C3C1H25103.8°120.0°
C8C3C9H91159.9°175.0°
C8C3C9H9278.9°54.8°
C3C8C13C632.4°54.0°
C3C8C13H131152.4°174.5°
C3C8C13H13285.8°66.6°
C8C3C1C236.5°63.9°
C8C3C1C4177.0°176.7°
C3C8C14H2375.1°64.4°
C8C3C1H2675.5°56.4°
C13C8C3C9169.8°175.4°
C13C8C3C127.3°56.6°
C8C13C6H131120.0°120.6°
C8C13C6H132118.2°120.5°
C8C13H131H132118.3°118.9°
C8C13C6C247.3°57.5°
C8C13C6H6172.7°62.0°
C8C13C6H62164.5°176.9°
C13C8C14H2375.7°58.3°
C13C8C3H2575.2°63.8°
C9C3C1H25114.2°121.5°
C3C9H91H92118.9°120.2°
C9C3C1C2178.4°177.7°
C9C3C1C435.0°64.9°
C9C3C8H2456.6°55.6°
C9C3C1H2666.5°62.1°
C1C3C9H9155.0°57.5°
C1C3C9H9266.2°62.7°
C3C1C2C645.3°70.2°
C3C1C2C4152.1°122.0°
C3C1C2H2691.8°120.1°
C3C1C2C772.0°49.1°
C3C1C2C5172.9°166.4°
C3C1C4H2687.8°126.6°
C3C1C4C10169.7°157.4°
C3C1C4H4149.7°39.1°
C3C1C4H4268.8°84.1°
C1C3C8H2485.9°63.3°
H91C9C3H2551.4°64.4°
H92C9C3H25172.6°175.5°
C6C13H131H132118.3°118.9°
C13C6C2H61120.0°119.4°
C13C6C2H62117.3°119.4°
C13C6H61H62117.5°121.1°
C13C6C2C150.6°64.9°
C13C6C2C766.3°54.4°
C13C6C2C5166.9°179.8°
C6C13C8H2471.6°66.2°
H131C13C6C2167.3°178.1°
H131C13C6H6147.3°58.6°
H131C13C6H6275.5°62.5°
H131C13C8H2448.4°54.4°
H132C13C6C270.9°63.1°
H132C13C6H61169.1°177.5°
H132C13C6H6246.4°56.3°
H132C13C8H24170.2°173.3°
C2C6H61H62117.5°121.2°
C6C2C1C7117.3°119.3°
C6C2C1C5127.6°123.5°
C6C2C7C5133.4°129.4°
C6C2C1C4162.6°167.8°
C6C2C7H7139.6°60.7°
C6C2C7H72159.6°179.3°
C6C2C7H7380.4°59.3°
C6C2C5O1282.3°94.7°
C6C2C5C10154.2°146.4°
C6C2C5C1140.5°27.3°
C6C2C1H2646.5°50.0°
H61C6C2C169.4°54.6°
H61C6C2C7173.7°173.8°
H61C6C2C546.9°60.4°
H62C6C2C1167.9°175.7°
H62C6C2C750.9°65.0°
H62C6C2C575.9°60.8°
C1C2C7C5111.6°113.0°
C2C1C4H26121.8°117.5°
C1C2C7H7175.5°56.9°
C1C2C7H7244.6°63.1°
C1C2C7H73164.6°176.9°
C1C2C5O12160.1°148.2°
C1C2C5C1036.7°29.2°
C1C2C5C1177.1°89.8°
C2C1C4C1019.4°41.5°
C2C1C4H41100.7°76.8°
C2C1C4H42140.9°160.0°
C2C1C3H2567.4°56.1°
C7C2C1C480.1°72.9°
C2C7H71H72120.0°120.0°
C2C7H71H73120.0°120.0°
C2C7H72H73120.0°120.0°
C7C2C5O1244.7°31.0°
C7C2C5C1078.7°88.0°
C7C2C5C11167.6°153.0°
C7C2C1H26163.8°169.2°
C5C2C1C435.1°44.3°
C5C2C7H71173.0°169.9°
C5C2C7H7267.0°49.9°
C5C2C7H7353.0°70.1°
C2C5O12C10119.7°115.9°
C2C5O12C11124.2°122.0°
C2C5C10C11116.4°119.0°
C2C5O12H12166.5°180.0°
C2C5C10C425.2°3.5°
C2C5C10H101145.2°122.7°
C2C5C10H10296.0°115.8°
C2C5C11C16128.7°10.8°
C5C2C1H2681.1°73.5°
C1C4C10C53.7°23.9°
C1C4C10H41120.0°118.3°
C1C4C10H42121.6°118.4°
C1C4C10H101123.7°95.3°
C1C4C10H102117.4°143.1°
C1C4H41H42121.7°123.3°
C4C1C3H2579.2°56.6°
H71C7H72H73120.0°120.0°
O12C5C10C11116.7°122.0°
O12C5C10C4152.1°122.5°
O12C5C10H10187.9°118.4°
O12C5C10H10231.0°3.2°
O12C5C11C16103.0°111.2°
C10C5O12H1246.8°64.1°
C5C10C4H101120.0°119.2°
C5C10C4H102121.2°119.3°
C5C10H101H102121.2°121.6°
C5C10C4H41123.8°94.5°
C5C10C4H42117.8°142.3°
C10C5C11C1616.3°126.7°
C11C5O12H1269.3°58.0°
C11C5C10C491.2°115.5°
C11C5C10H10128.8°3.7°
C11C5C10H102147.6°125.2°
C5C11C16H1632.5°165.7°
C4C10H101H102121.2°121.5°
C10C4H41H42121.6°123.3°
C10C4C1H26102.5°75.9°
H101C10C4H41116.2°146.3°
H101C10C4H422.2°23.1°
H102C10C4H412.6°24.8°
H102C10C4H42121.0°98.4°
H41C4C1H26137.5°165.8°
H42C4C1H2619.1°42.5°
H23C14C8H24171.5°176.6°
H24C8C3H25171.5°176.3°
H25C3C1H26179.3°176.4°

219140

PDB entries from 2024-05-01

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