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BYO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C18C19doub1.38Å1.37ÅAromatic
C18C17sing1.38Å1.37ÅAromatic
C19C20sing1.38Å1.38ÅAromatic
C17C16doub1.38Å1.38ÅAromatic
C20C15doub1.39Å1.37ÅAromatic
C16C15sing1.39Å1.38ÅAromatic
C15C12sing1.48Å1.53Å
C12C13doub1.36Å1.49Å
C12C11sing1.42Å1.47Å
O1C11doub1.21Å1.18Å
C13N1sing1.36Å1.49Å
C11C10sing1.50Å1.49Å
C21C1sing1.52Å1.48Å
C2C1sing1.50Å1.40Å
C2C3doub1.30Å1.61Å
C1C10sing1.52Å1.68Å
C10C14sing1.53Å1.56Å
C10C9sing1.54Å1.41Å
N1C14sing1.33Å1.50Å
C5C4sing1.52Å1.53Å
C5C6sing1.53Å1.56Å
C3C4sing1.50Å1.48Å
C14O2doub1.21Å1.19Å
C8C9sing1.52Å1.56Å
C8C22sing1.54Å1.51Å
C8C7sing1.54Å1.55Å
C9C4sing1.53Å1.65Å
C6C7sing1.53Å1.62Å
C1H1sing1.11Å1.10Å
C2H2sing1.08Å1.08Å
C3H4sing1.08Å1.08Å
C4H6sing1.10Å1.10Å
C5H7sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C7H11sing1.09Å1.10Å
C7H12sing1.09Å1.10Å
C8H13sing1.08Å1.10Å
C9H14sing1.11Å1.10Å
C13H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C21H21sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
C22H24sing1.09Å1.10Å
C22H25sing1.09Å1.10Å
C22H26sing1.09Å1.10Å
N1H27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C19C18C17119.7°120.2°
C18C19C20120.3°120.2°
C19C18H18120.2°119.9°
C18C19H19119.8°119.9°
C18C17C16120.4°120.1°
C18C17H17119.8°120.0°
C17C18H18120.2°119.9°
C19C20C15120.4°119.9°
C20C19H19119.8°119.9°
C19C20H20119.8°120.1°
C17C16C15120.0°119.9°
C17C16H16120.0°120.1°
C16C17H17119.8°119.9°
C20C15C16119.1°119.7°
C20C15C12121.0°120.1°
C15C20H20119.8°120.0°
C16C15C12119.9°120.2°
C15C16H16120.0°120.0°
C15C12C13118.2°119.8°
C15C12C11123.1°119.1°
C13C12C11117.4°121.1°
C12C13N1119.1°120.0°
C12C13H15120.5°120.1°
C12C11O1118.3°115.0°
C12C11C10124.4°121.6°
O1C11C10117.3°123.4°
C13N1C14124.4°122.3°
N1C13H15120.5°119.9°
C13N1H27117.8°118.6°
C11C10C1107.1°113.8°
C11C10C14117.6°107.5°
C11C10C9127.0°111.7°
C21C1C2108.4°109.7°
C21C1C10109.2°115.6°
C21C1H1109.9°106.9°
C1C21H21109.5°109.5°
C1C21H22109.4°109.5°
C1C21H23109.5°109.4°
C1C2C3113.4°124.0°
C2C1C10111.0°111.1°
C2C1H1111.0°105.9°
C1C2H2123.3°117.8°
C2C3C4118.6°123.6°
C3C2H2123.3°118.2°
C2C3H4120.7°118.3°
C1C10C1481.9°106.1°
C1C10C9113.3°111.8°
C10C1H1107.4°107.0°
C14C10C9101.0°105.3°
C10C14N1115.5°123.1°
C10C14O2124.3°117.9°
C10C9C8106.8°114.8°
C10C9C4117.2°106.4°
C10C9H14109.3°108.0°
N1C14O2120.1°118.9°
C14N1H27117.8°119.1°
C4C5C6110.2°109.4°
C5C4C3108.3°111.3°
C5C4C9112.6°112.5°
C5C4H6107.0°106.9°
C4C5H7109.3°109.6°
C4C5H8109.3°109.6°
C5C6C7112.2°107.7°
C6C5H7109.3°109.3°
C6C5H8109.3°109.4°
C5C6H9108.8°109.7°
C5C6H10108.8°109.7°
C3C4C9115.0°110.7°
C4C3H4120.7°118.2°
C3C4H6107.7°107.8°
C9C8C22109.3°111.4°
C9C8C7111.1°110.8°
C8C9C4109.4°110.9°
C9C8H13108.7°111.7°
C8C9H14107.4°108.9°
C22C8C7109.8°105.5°
C22C8H13109.2°109.9°
C8C22H24109.5°109.5°
C8C22H25109.5°109.4°
C8C22H26109.5°109.5°
C8C7C6110.5°109.6°
C8C7H11109.2°108.8°
C8C7H12109.2°109.0°
C7C8H13108.8°107.2°
C9C4H6105.8°107.5°
C4C9H14106.3°107.6°
C7C6H9108.8°109.9°
C7C6H10108.8°110.0°
C6C7H11109.2°109.9°
C6C7H12109.2°110.0°
H7C5H8109.4°109.5°
H9C6H10109.5°109.9°
H11C7H12109.5°109.7°
H21C21H22109.5°109.5°
H21C21H23109.4°109.4°
H22C21H23109.5°109.5°
H24C22H25109.4°109.4°
H24C22H26109.5°109.6°
H25C22H26109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C19C18C17H18180.0°179.8°
C18C19C20H19180.0°179.8°
C19C18C17C160.5°0.1°
C18C19C20C150.5°0.5°
C19C18C17H17179.6°180.0°
C18C19C20H20179.5°180.0°
C17C18C19C200.5°0.2°
C18C17C16H17180.0°179.9°
C18C17C16C150.5°0.1°
C18C17C16H16179.5°180.0°
C17C18C19H19179.5°180.0°
C19C20C15H20180.0°179.5°
C19C20C15C160.5°0.4°
C19C20C15C12179.6°179.7°
C20C19C18H18179.5°180.0°
C17C16C15C200.5°0.2°
C17C16C15H16180.0°179.9°
C17C16C15C12179.6°180.0°
C16C17C18H18179.5°179.7°
C20C15C16C12179.1°179.8°
C20C15C12C13118.3°115.2°
C20C15C12C1175.1°64.8°
C20C15C16H16179.5°179.7°
C15C20C19H19179.5°179.7°
C16C15C12C1360.8°65.0°
C16C15C12C11105.8°115.0°
C15C16C17H17179.6°180.0°
C16C15C20H20179.5°180.0°
C15C12C13C11167.4°180.0°
C15C12C11O13.6°11.9°
C15C12C13N1179.1°176.6°
C15C12C11C10177.7°170.0°
C15C12C13H150.9°3.4°
C12C15C16H160.4°0.1°
C12C15C20H200.4°0.2°
C13C12C11O1163.1°168.0°
C12C13N1H15180.0°180.0°
C13C12C11C1015.6°10.0°
C12C13N1C146.2°1.5°
C12C13N1H27173.8°178.3°
C12C11O1C10178.8°178.0°
C11C12C13N111.7°3.4°
C12C11C10C177.1°138.6°
C12C11C10C1412.6°21.4°
C12C11C10C9144.2°93.6°
C11C12C13H15168.2°176.6°
O1C11C10C1104.1°39.3°
O1C11C10C14166.2°156.5°
O1C11C10C934.5°88.5°
C13N1C14C103.0°13.9°
C13N1C14H27180.0°179.7°
C13N1C14O2179.5°164.3°
C11C10C1C2132.1°43.8°
C11C10C1C287.2°169.7°
C11C10C1C14116.5°118.0°
C11C10C1C9144.9°127.7°
C11C10C14C9142.6°119.2°
C11C10C14N15.7°23.7°
C11C10C14O2178.0°154.4°
C11C10C9C827.9°70.3°
C11C10C9C495.2°166.6°
C11C10C1H1151.2°75.1°
C11C10C9H14143.8°51.4°
C21C1C2C10119.8°129.1°
C21C1C2H1120.8°115.0°
C21C1C2C3173.8°119.9°
C21C1C10H1119.1°118.9°
C21C1C10C1484.4°161.9°
C21C1C10C9177.1°83.8°
C21C1C2H26.1°60.1°
C1C21H21H22120.0°120.0°
C1C21H21H23120.0°120.0°
C1C21H22H23120.0°120.0°
C1C2C3H2180.0°179.9°
C2C1C10H1121.5°115.2°
C2C1C10C14156.2°72.3°
C2C1C10C957.7°42.0°
C1C2C3C441.6°0.1°
C1C2C3H4138.4°179.8°
C2C1C21H21180.0°166.1°
C2C1C21H2260.0°46.0°
C2C1C21H2360.0°74.0°
C3C2C1C1054.0°9.2°
C2C3C4C5102.9°149.2°
C2C3C4H4180.0°179.9°
C2C3C4C924.0°23.3°
C3C2C1H165.4°125.1°
C2C3C4H6141.7°93.9°
C1C10C14C9112.3°118.7°
C1C10C14N199.4°145.8°
C1C10C14O276.9°32.3°
C1C10C9C8164.4°58.5°
C1C10C9C441.3°64.5°
C10C1C2H2126.0°170.9°
C1C10C9H1479.7°179.8°
C10C1C21H2159.0°67.4°
C10C1C21H22179.0°172.6°
C10C1C21H2361.0°52.6°
C10C14N1O2176.5°178.2°
C14C10C9C8109.7°173.3°
C14C10C9C4127.2°50.3°
C14C10C1H134.7°43.0°
C14C10C9H146.2°65.0°
C10C14N1H27177.0°166.4°
C9C10C14N1148.2°95.5°
C10C9C4C597.4°178.1°
C10C9C4C327.3°52.9°
C9C10C14O235.4°86.4°
C10C9C8C4127.8°120.6°
C10C9C8H14117.2°121.2°
C10C9C8C2271.9°69.3°
C10C9C8C7166.9°173.7°
C10C9C4H14122.5°115.6°
C9C10C1H163.9°157.2°
C10C9C4H6145.9°64.5°
C10C9C8H1347.3°54.1°
C14N1C13H15173.8°178.5°
C4C5C6H7120.1°120.0°
C4C5C6H8120.1°120.1°
C5C4C3C9126.9°125.9°
C5C4C3H6115.4°116.8°
C5C4C9C824.3°52.7°
C5C4C9H6116.6°117.4°
C4C5C6C735.8°61.8°
C5C4C3H477.1°30.9°
C4C5H7H8119.7°120.3°
C4C5C6H9156.2°57.7°
C4C5C6H1084.6°178.5°
C5C4C9H14140.0°66.3°
C6C5C4C3168.3°67.6°
C5C6C7C826.5°63.4°
C6C5C4C963.4°57.3°
C5C6C7H9120.4°119.4°
C5C6C7H10120.4°119.5°
C6C5C4H652.5°175.0°
C6C5H7H8119.6°119.8°
C5C6H9H10118.7°120.6°
C5C6C7H1193.6°177.2°
C5C6C7H12146.7°56.4°
C3C4C9C8149.0°72.5°
C3C4C9H6118.7°117.4°
C4C3C2H2138.4°179.9°
C3C4C5H771.5°52.2°
C3C4C5H848.2°172.5°
C3C4C9H1495.3°168.5°
O2C14N1H270.5°15.4°
C9C8C22C7122.0°120.3°
C9C8C22H13118.8°124.4°
C9C8C7H13119.5°122.2°
C8C9C4H14115.7°119.0°
C9C8C7C666.6°59.7°
C8C9C4H692.3°170.1°
C9C8C7H1153.6°179.8°
C9C8C7H12173.2°60.6°
C9C8C22H24180.0°75.4°
C9C8C22H2560.0°164.8°
C9C8C22H2660.0°44.8°
C22C8C7H13119.5°117.2°
C22C8C9C4160.3°170.2°
C22C8C7C6172.4°179.6°
C22C8C7H1167.4°59.5°
C22C8C7H1252.3°60.0°
C22C8C9H1445.3°52.0°
C8C22H24H25120.0°119.9°
C8C22H24H26120.0°120.1°
C8C22H25H26120.0°120.0°
C7C8C9C439.1°53.1°
C8C7C6H11120.2°119.4°
C8C7C6H12120.1°119.7°
C8C7C6H993.9°56.0°
C8C7C6H10146.9°177.2°
C8C7H11H12119.5°119.1°
C7C8C9H1475.9°65.1°
C7C8C22H2457.9°164.4°
C7C8C22H2562.0°44.5°
C7C8C22H26178.0°75.5°
C9C4C3H4155.9°156.8°
C9C4C5H756.7°177.1°
C9C4C5H8176.5°62.7°
C4C9C8H1380.6°66.4°
C7C6C5H784.4°178.1°
C7C6C5H8155.9°58.3°
C7C6H9H10118.8°121.2°
C6C7H11H12119.5°121.0°
C6C7C8H1353.0°62.5°
H1C1C2H2114.6°55.0°
H1C1C21H2158.5°51.6°
H1C1C21H2261.5°68.4°
H1C1C21H23178.5°171.6°
H2C2C3H441.7°0.2°
H4C3C4H638.3°86.0°
H6C4C5H7172.6°65.2°
H6C4C5H867.6°55.1°
H6C4C9H1423.4°51.1°
H7C5C6H936.0°62.4°
H7C5C6H10155.2°58.4°
H8C5C6H983.7°177.8°
H8C5C6H1035.5°61.4°
H9C6C7H11146.0°63.4°
H9C6C7H1226.3°175.7°
H10C6C7H1126.8°57.7°
H10C6C7H1292.9°63.1°
H11C7C8H13173.1°57.6°
H12C7C8H1367.2°177.2°
H13C8C9H14164.5°175.4°
H13C8C22H2461.2°49.1°
H13C8C22H25178.8°70.8°
H13C8C22H2658.8°169.2°
H15C13N1H276.2°1.8°
H16C16C17H170.4°0.1°
H17C17C18H180.4°0.2°
H18C18C19H190.5°0.2°
H19C19C20H200.5°0.2°
H21C21H22H23120.0°120.0°
H24C22H25H26120.0°120.0°

222624

PDB entries from 2024-07-17

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