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79R

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N4C21trip1.14Å1.14Å
C21C20sing1.43Å1.43Å
C24N5sing1.46Å1.46Å
C20C19doub1.39Å1.35Å
C20C22sing1.47Å1.50Å
N5C22sing1.35Å1.33Å
N5C23sing1.46Å1.46Å
C19C18sing1.41Å1.41Å
C22Odoub1.22Å1.22Å
C18C17doub1.39Å1.36ÅAromatic
C18O1sing1.35Å1.37ÅAromatic
C17C16sing1.39Å1.41ÅAromatic
O1C15sing1.35Å1.38ÅAromatic
CC1sing1.53Å1.52Å
C16C15doub1.38Å1.36ÅAromatic
C15C14sing1.47Å1.44Å
C14N3doub1.31Å1.32ÅAromatic
C14Nsing1.37Å1.38ÅAromatic
N3C13sing1.35Å1.38ÅAromatic
C1C2sing1.53Å1.53Å
C1C6sing1.53Å1.53Å
C3C2sing1.53Å1.52Å
C3C4sing1.53Å1.52Å
C5C6sing1.53Å1.52Å
C5C4sing1.53Å1.53Å
NC6sing1.47Å1.47Å
NC7sing1.37Å1.38ÅAromatic
C13C12doub1.40Å1.38ÅAromatic
C13C7sing1.41Å1.40ÅAromatic
C12N2sing1.31Å1.33ÅAromatic
C7C8doub1.40Å1.41ÅAromatic
N2C11doub1.33Å1.36ÅAromatic
C8C11sing1.41Å1.42ÅAromatic
C8C9sing1.46Å1.44ÅAromatic
C11N1sing1.37Å1.36ÅAromatic
C9C10doub1.34Å1.35ÅAromatic
N1C10sing1.37Å1.38ÅAromatic
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C5H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C9H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C24H13sing1.09Å1.10Å
C24H14sing1.09Å1.10Å
C24H15sing1.09Å1.10Å
C23H16sing1.09Å1.10Å
C23H17sing1.09Å1.10Å
C23H18sing1.09Å1.10Å
C19H20sing1.08Å1.08Å
C17H22sing1.08Å1.08Å
C16H23sing1.08Å1.08Å
CH24sing1.09Å1.10Å
CH25sing1.09Å1.10Å
CH26sing1.09Å1.10Å
N1H27sing0.97Å1.00Å
C10H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N4C21C20177.7°180.0°
C21C20C19121.4°120.0°
C21C20C22119.2°120.0°
C24N5C22124.5°120.0°
C24N5C23115.9°120.0°
N5C24H13109.5°109.5°
N5C24H14109.4°109.4°
N5C24H15109.5°109.5°
C19C20C22119.2°120.0°
C20C19C18132.5°120.0°
C20C19H20113.8°120.0°
C20C22N5119.6°120.0°
C20C22O119.0°120.0°
C22N5C23119.6°120.0°
N5C22O121.3°120.0°
N5C23H16109.5°109.5°
N5C23H17109.5°109.4°
N5C23H18109.5°109.5°
C19C18C17131.3°125.9°
C19C18O1118.8°125.9°
C18C19H20113.7°120.0°
C17C18O1109.7°108.2°
C18C17C16107.3°106.8°
C18C17H22126.4°126.6°
C18O1C15106.4°109.4°
C17C16C15107.1°107.0°
C16C17H22126.4°126.6°
C17C16H23126.4°126.5°
O1C15C16109.5°108.5°
O1C15C14118.4°125.7°
CC1C2110.8°109.5°
CC1C6113.4°109.5°
CC1H1107.6°109.5°
C1CH24109.5°109.4°
C1CH25109.4°109.5°
C1CH26109.5°109.5°
C16C15C14132.0°125.8°
C15C16H23126.5°126.5°
C15C14N3117.9°125.3°
C15C14N129.1°125.2°
N3C14N112.9°109.5°
C14N3C13104.4°109.7°
C14NC6130.4°126.4°
C14NC7106.7°107.1°
N3C13C12126.7°134.0°
N3C13C7111.1°107.2°
C2C1C6109.7°109.5°
C1C2C3112.2°109.5°
C2C1H1107.5°109.4°
C1C2H2108.8°109.5°
C1C2H3108.8°109.5°
C1C6C5112.4°109.5°
C1C6N109.9°109.4°
C6C1H1107.6°109.5°
C1C6H10105.9°109.5°
C2C3C4111.7°109.5°
C3C2H2108.8°109.5°
C3C2H3108.8°109.4°
C2C3H4108.9°109.5°
C2C3H5108.9°109.5°
C3C4C5111.0°109.4°
C4C3H4108.9°109.5°
C4C3H5108.9°109.5°
C3C4H6109.1°109.5°
C3C4H7109.1°109.5°
C6C5C4108.4°109.5°
C5C6N115.6°109.5°
C6C5H8109.7°109.4°
C6C5H9109.7°109.5°
C5C6H10105.9°109.5°
C5C4H6109.1°109.5°
C5C4H7109.1°109.5°
C4C5H8109.7°109.5°
C4C5H9109.7°109.5°
C6NC7122.8°126.5°
NC6H10106.4°109.4°
NC7C13104.9°106.4°
NC7C8137.0°135.3°
C12C13C7122.1°118.7°
C13C12N2122.1°121.1°
C13C12H12119.0°119.5°
C13C7C8118.1°118.3°
C12N2C11116.1°122.5°
N2C12H12119.0°119.4°
C7C8C11115.0°119.2°
C7C8C9137.9°134.6°
N2C11C8126.7°120.2°
N2C11N1126.7°132.8°
C11C8C9107.1°106.2°
C8C11N1106.5°107.0°
C8C9C10106.5°106.9°
C8C9H11126.8°126.6°
C11N1C10110.0°110.1°
C11N1H27125.0°124.9°
C9C10N1109.9°109.8°
C10C9H11126.7°126.5°
C9C10H28125.1°125.1°
C10N1H27125.0°125.0°
N1C10H28125.1°125.1°
H2C2H3109.5°109.5°
H4C3H5109.4°109.4°
H6C4H7109.5°109.5°
H8C5H9109.5°109.5°
H13C24H14109.5°109.5°
H13C24H15109.4°109.5°
H14C24H15109.5°109.5°
H16C23H17109.4°109.4°
H16C23H18109.5°109.5°
H17C23H18109.5°109.5°
H24CH25109.4°109.5°
H24CH26109.5°109.4°
H25CH26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N4C21C20C19124.7°95.8°
N4C21C20C2250.1°84.2°
C21C20C19C22174.9°180.0°
C21C20C22N539.0°97.6°
C21C20C19C18154.5°174.1°
C21C20C22O137.8°82.5°
C21C20C19H2025.5°5.9°
C24N5C22C206.3°5.4°
C24N5C22C23179.2°179.9°
C24N5C22O176.9°174.7°
N5C24H13H14120.0°119.9°
N5C24H13H15120.0°120.0°
N5C24H14H15120.0°120.0°
C24N5C23H16180.0°174.9°
C24N5C23H1760.0°54.9°
C24N5C23H1860.0°65.0°
C19C20C22N5136.0°82.5°
C20C19C18H20180.0°180.0°
C19C20C22O47.2°97.5°
C20C19C18C1722.6°174.9°
C20C19C18O1152.4°5.1°
C20C22N5O176.8°179.9°
C20C22N5C23174.5°174.6°
C22C20C19C1820.4°5.9°
C22C20C19H20159.6°174.1°
C22N5C24H13180.0°94.4°
C22N5C24H1460.0°145.6°
C22N5C24H1560.0°25.5°
C22N5C23H160.7°5.2°
C22N5C23H17119.3°125.1°
C22N5C23H18120.7°114.9°
C23N5C22O2.3°5.3°
C23N5C24H130.8°85.5°
C23N5C24H14119.2°34.5°
C23N5C24H15120.8°154.5°
N5C23H16H17120.0°119.9°
N5C23H16H18120.0°120.1°
N5C23H17H18120.0°120.0°
C19C18C17O1175.3°180.0°
C19C18C17C16176.5°180.0°
C19C18O1C15176.6°179.8°
C19C18C17H223.5°0.1°
C18C17C16H22180.0°180.0°
C17C18O1C150.6°0.2°
C18C17C16C151.3°0.1°
C17C18C19H20157.4°5.2°
C18C17C16H23178.7°179.9°
O1C18C17C161.2°0.0°
C18O1C15C160.2°0.3°
C18O1C15C14178.9°180.0°
O1C18C19H2027.6°174.8°
O1C18C17H22178.8°179.9°
C17C16C15O10.9°0.3°
C17C16C15H23180.0°180.0°
C17C16C15C14179.4°180.0°
O1C15C16C14178.4°179.7°
O1C15C14N3121.3°19.1°
O1C15C14N62.2°161.0°
O1C15C16H23179.1°179.8°
CC1C2C6126.0°120.0°
CC1C2H1117.4°120.0°
CC1C6H1118.9°120.0°
CC1C2C373.0°180.0°
CC1C6C567.5°180.0°
CC1C6N62.8°60.0°
CC1C2H247.4°60.0°
CC1C2H3166.6°60.0°
CC1C6H10177.3°60.0°
C1CH24H25120.0°120.0°
C1CH24H26120.0°120.0°
C1CH25H26120.0°120.0°
C16C15C14N357.1°160.6°
C16C15C14N119.5°19.3°
C15C16C17H22178.7°179.9°
C15C14N3N177.1°179.9°
C15C14N3C13177.4°180.0°
C15C14NC66.1°0.1°
C15C14NC7177.3°179.8°
C14C15C16H230.6°0.0°
N3C14NC6177.2°179.8°
N3C14NC70.6°0.3°
C14N3C13C12177.5°180.0°
C14N3C13C70.1°0.1°
NC14N3C130.3°0.1°
C14NC6C197.9°179.9°
C14NC6C530.6°60.0°
C14NC6C7176.2°179.9°
C14NC7C130.6°0.3°
C14NC7C8175.8°180.0°
C14NC6H10147.9°60.0°
N3C13C7N0.5°0.3°
N3C13C12C7177.1°179.9°
N3C13C12N2175.3°179.4°
N3C13C7C8176.7°180.0°
N3C13C12H124.7°0.3°
C2C1C6H1116.7°119.9°
C1C2C3H2120.4°120.0°
C1C2C3H3120.4°120.0°
C1C2C3C453.6°60.0°
C2C1C6C557.0°60.0°
C2C1C6N172.8°60.0°
C1C2H2H3118.8°120.0°
C1C2C3H466.7°180.0°
C1C2C3H5174.0°60.0°
C2C1C6H1058.2°180.0°
C2C1CH24180.0°61.6°
C2C1CH2560.0°178.3°
C2C1CH2660.0°58.3°
C6C1C2C353.0°60.0°
C1C6C5N127.3°120.0°
C1C6C5H10115.2°120.0°
C1C6C5C459.5°60.0°
C1C6NH10114.2°120.0°
C1C6NC778.3°0.2°
C6C1C2H2173.4°60.0°
C6C1C2H367.4°180.0°
C1C6C5H8179.3°180.0°
C1C6C5H960.4°60.0°
C6C1CH2456.1°58.4°
C6C1CH25176.1°61.7°
C6C1CH2663.9°178.3°
C2C3C4H4120.3°120.0°
C2C3C4H5120.4°120.0°
C2C3C4C556.2°60.0°
C3C2C1H1169.7°60.0°
C3C2H2H3118.8°120.0°
C2C3H4H5119.0°120.0°
C2C3C4H6176.4°60.0°
C2C3C4H764.1°180.0°
C3C4C5C658.1°60.0°
C3C4C5H6120.2°120.0°
C3C4C5H7120.2°120.0°
C4C3C2H2174.0°60.0°
C4C3C2H366.8°180.0°
C4C3H4H5119.0°119.9°
C3C4H6H7119.3°120.0°
C3C4C5H8178.0°180.0°
C3C4C5H961.7°60.0°
C6C5C4H8119.8°120.0°
C6C5C4H9119.8°120.0°
C5C6NH10117.3°120.0°
C5C6NC7153.2°119.8°
C5C6C1H1173.7°60.0°
C6C5C4H6178.4°60.0°
C6C5C4H762.1°180.0°
C6C5H8H9120.5°120.0°
C4C5C6N173.3°60.0°
C5C4C3H464.2°180.0°
C5C4C3H5176.5°60.1°
C5C4H6H7119.3°120.0°
C4C5H8H9120.5°120.0°
C4C5C6H1055.7°180.0°
C6NC7C13177.6°179.8°
C6NC7C81.2°0.1°
NC6C1H156.1°180.0°
NC6C5H853.4°60.0°
NC6C5H966.9°180.0°
NC7C13C12178.0°179.8°
NC7C13C8177.2°179.7°
NC7C8C11175.7°180.0°
NC7C8C92.3°0.1°
C7NC6H1035.9°120.1°
C13C12N2H12180.0°179.0°
C12C13C7C80.7°0.1°
C13C12N2C111.4°0.9°
C7C13C12N21.8°0.5°
C13C7C8C110.4°0.4°
C13C7C8C9178.3°179.7°
C7C13C12H12178.3°179.6°
C12N2C11C80.2°0.6°
C12N2C11N1179.2°179.3°
C7C8C11N20.6°0.1°
C7C8C11C9178.6°180.0°
C7C8C11N1178.5°180.0°
C7C8C9C10177.7°180.0°
C7C8C9H112.3°0.0°
N2C11C8N1179.1°179.9°
N2C11C8C9179.2°180.0°
N2C11N1C10178.9°180.0°
C11N2C12H12178.6°179.9°
N2C11N1H271.1°0.1°
C11C8C9C100.4°0.0°
C8C11N1C100.2°0.1°
C11C8C9H11179.6°180.0°
C8C11N1H27179.8°180.0°
C9C8C11N10.1°0.0°
C8C9C10H11180.0°180.0°
C8C9C10N10.5°0.1°
C8C9C10H28179.5°180.0°
C11N1C10C90.5°0.1°
C11N1C10H27180.0°179.9°
C11N1C10H28179.5°180.0°
C9C10N1H28180.0°179.9°
C9C10N1H27179.6°180.0°
N1C10C9H11179.4°180.0°
H1C1C2H269.9°180.0°
H1C1C2H349.3°60.0°
H1C1C6H1058.5°60.1°
H1C1CH2462.7°178.4°
H1C1CH2557.3°58.4°
H1C1CH26177.3°61.7°
H2C2C3H453.7°60.0°
H2C2C3H565.6°180.0°
H3C2C3H4172.9°60.0°
H3C2C3H553.6°60.0°
H4C3C4H656.1°60.0°
H4C3C4H7175.6°60.0°
H5C3C4H663.2°179.9°
H5C3C4H756.3°59.9°
H6C4C5H861.8°60.0°
H6C4C5H958.5°180.0°
H7C4C5H857.8°60.0°
H7C4C5H9178.1°60.0°
H8C5C6H1064.1°60.0°
H9C5C6H10175.6°60.0°
H11C9C10H280.6°0.1°
H13C24H14H15120.0°120.0°
H16C23H17H18120.0°120.0°
H22C17C16H231.3°0.1°
H24CH25H26120.0°120.0°
H27N1C10H280.4°0.1°

222415

PDB entries from 2024-07-10

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