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A1JK6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCsing1.35Å1.31Å
CO1doub1.21Å1.22Å
C1Csing1.48Å1.49Å
C1C2doub1.40Å1.39ÅAromatic
C2C3sing1.38Å1.38ÅAromatic
C3C4doub1.39Å1.40ÅAromatic
C4C5sing1.51Å1.51Å
C5C6sing1.53Å1.52Å
C6Nsing1.48Å1.47Å
C7Nsing1.47Å1.47Å
C8C7sing1.51Å1.50Å
C8C9doub1.33Å1.36ÅAromatic
C9Ssing1.76Å1.73ÅAromatic
SC10sing1.71Å1.75ÅAromatic
C10N1doub1.30Å1.31ÅAromatic
N1C8sing1.32Å1.40ÅAromatic
N2C10sing1.39Å1.37Å
N2C11sing1.47Å1.47Å
C11C12sing1.53Å1.53Å
C12C13sing1.53Å1.53Å
C13C14sing1.53Å1.53Å
C15C14sing1.53Å1.53Å
N3C15sing1.47Å1.47Å
C16N3sing1.47Å1.47Å
C12C16sing1.53Å1.53Å
C17N3sing1.40Å1.42Å
C17C18doub1.39Å1.39ÅAromatic
C18C19sing1.38Å1.39ÅAromatic
C19C20doub1.38Å1.37ÅAromatic
C20C21sing1.38Å1.38ÅAromatic
C21C22doub1.38Å1.39ÅAromatic
C22C17sing1.39Å1.39ÅAromatic
C14C23sing1.53Å1.53Å
C23N2sing1.47Å1.47Å
NC24sing1.47Å1.47Å
C24C25sing1.51Å1.51Å
C4C25sing1.38Å1.41ÅAromatic
C25C26doub1.38Å1.39ÅAromatic
C26C1sing1.39Å1.39ÅAromatic
C2H1sing1.08Å1.08Å
C3H2sing1.08Å1.08Å
C7H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C9H9sing1.08Å1.08Å
C11H10sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H14sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C19H21sing1.08Å1.08Å
C20H22sing1.08Å1.08Å
C21H23sing1.08Å1.08Å
C22H24sing1.08Å1.08Å
C24H27sing1.09Å1.10Å
C24H28sing1.09Å1.10Å
OHsing0.97Å0.95Å
C26H29sing1.08Å1.08Å
C6H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C23H25sing1.09Å1.10Å
C23H26sing1.09Å1.10Å
C18H20sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCO1122.5°120.0°
OCC1116.4°120.0°
COH109.5°117.0°
O1CC1120.9°120.0°
CC1C2121.9°120.2°
CC1C26119.2°120.2°
C1C2C3120.4°119.7°
C2C1C26118.9°119.5°
C1C2H1119.8°120.2°
C2C3C4121.0°120.5°
C3C2H1119.8°120.1°
C2C3H2119.5°119.7°
C3C4C5120.6°118.3°
C3C4C25119.0°120.1°
C4C3H2119.5°119.8°
C4C5C6111.6°110.0°
C5C4C25120.4°121.6°
C4C5H3109.0°109.4°
C4C5H4108.9°109.4°
C5C6N110.8°108.3°
C5C6H5109.2°109.9°
C5C6H6109.2°109.8°
C6C5H3108.9°109.4°
C6C5H4108.9°109.4°
C6NC7112.4°111.0°
C6NC24110.2°110.1°
NC6H5109.1°109.6°
NC6H6109.1°109.6°
NC7C8115.5°109.4°
C7NC24113.1°111.0°
NC7H7107.9°109.4°
NC7H8107.9°109.5°
C7C8C9123.0°122.7°
C7C8N1121.6°122.7°
C8C7H7107.9°109.5°
C8C7H8108.0°109.5°
C8C9S110.9°108.1°
C9C8N1115.4°114.6°
C8C9H9124.6°125.9°
C9SC1088.5°90.4°
SC9H9124.6°126.0°
SC10N1115.0°110.1°
SC10N2121.6°125.0°
C10N1C8110.1°116.8°
N1C10N2123.3°124.9°
C10N2C11120.6°110.9°
C10N2C23120.6°111.0°
N2C11C12112.7°109.9°
C11N2C23115.6°111.9°
N2C11H10108.6°109.4°
N2C11H11108.6°109.4°
C11C12C13109.3°109.0°
C11C12C16112.9°109.5°
C12C11H10108.7°109.4°
C12C11H11108.7°109.4°
C11C12H12108.5°109.8°
C12C13C14108.6°108.1°
C13C12C16109.0°109.0°
C13C12H12108.6°109.7°
C12C13H13109.7°109.8°
C12C13H14109.7°109.7°
C13C14C15109.3°109.0°
C13C14C23109.1°109.0°
C14C13H13109.7°109.7°
C14C13H14109.7°109.7°
C13C14H15108.6°109.7°
C14C15N3113.8°109.8°
C15C14C23112.7°109.5°
C15C14H15108.6°109.8°
C14C15H16108.4°109.4°
C14C15H17108.4°109.4°
C15N3C16117.6°111.8°
C15N3C17116.0°111.0°
N3C15H16108.4°109.4°
N3C15H17108.3°109.4°
N3C16C12112.2°109.8°
C16N3C17117.2°111.0°
N3C16H18108.8°109.4°
N3C16H19108.8°109.4°
C16C12H12108.6°109.8°
C12C16H18108.8°109.5°
C12C16H19108.8°109.5°
N3C17C18120.3°120.1°
N3C17C22120.7°120.1°
C17C18C19120.2°119.9°
C18C17C22118.9°119.9°
C17C18H20119.9°120.0°
C18C19C20120.5°120.0°
C18C19H21119.8°120.0°
C19C18H20119.9°120.0°
C19C20C21119.8°120.2°
C20C19H21119.7°120.0°
C19C20H22120.1°119.9°
C20C21C22120.4°120.1°
C21C20H22120.1°119.9°
C20C21H23119.8°120.0°
C21C22C17120.2°119.9°
C22C21H23119.8°119.9°
C21C22H24119.9°120.1°
C17C22H24119.9°120.0°
C14C23N2111.1°109.9°
C23C14H15108.6°109.8°
C14C23H25109.0°109.4°
C14C23H26109.0°109.5°
N2C23H25109.1°109.4°
N2C23H26109.1°109.4°
NC24C25112.5°110.5°
NC24H27108.7°109.3°
NC24H28108.7°109.2°
C24C25C4121.4°121.8°
C24C25C26119.5°118.3°
C25C24H27108.7°109.3°
C25C24H28108.7°109.2°
C4C25C26119.1°119.9°
C25C26C1121.6°120.3°
C25C26H29119.2°119.9°
C1C26H29119.2°119.8°
H7C7H8109.5°109.5°
H10C11H11109.5°109.2°
H13C13H14109.4°109.8°
H16C15H17109.5°109.3°
H18C16H19109.4°109.3°
H27C24H28109.5°109.3°
H5C6H6109.4°109.6°
H3C5H4109.5°109.2°
H25C23H26109.5°109.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCO1C1175.2°179.9°
OCC1C230.1°0.0°
OCC1C26147.9°179.7°
O1CC1C2154.4°180.0°
O1CC1C2627.5°0.2°
O1COH0.0°0.1°
CC1C2C26178.0°179.7°
CC1C2C3179.3°179.9°
CC1C26C25179.6°180.0°
CC1C2H10.7°0.0°
C1COH175.4°180.0°
CC1C26H290.5°0.0°
C1C2C3H1180.0°179.9°
C1C2C3C40.4°0.1°
C2C1C26C252.3°0.3°
C1C2C3H2179.6°179.9°
C2C1C26H29177.6°179.8°
C2C3C4H2180.0°180.0°
C2C3C4C5179.2°179.8°
C2C3C4C250.6°0.2°
C3C2C1C261.2°0.2°
C3C4C5C25179.9°179.5°
C3C4C5C6165.4°163.2°
C3C4C25C24179.3°180.0°
C3C4C25C261.7°0.1°
C4C3C2H1179.6°180.0°
C3C4C5H374.3°76.6°
C3C4C5H445.1°43.1°
C4C5C6H3120.4°120.2°
C4C5C6H4120.3°120.2°
C4C5C6N48.0°50.8°
C5C4C25C240.6°0.5°
C5C4C25C26178.2°179.7°
C5C4C3H20.8°0.2°
C4C5C6H5168.2°68.9°
C4C5C6H672.2°170.4°
C4C5H3H4119.0°119.7°
C5C6NH5120.2°119.9°
C5C6NH6120.2°119.8°
C5C6NC7165.4°165.1°
C5C6NC2467.5°71.6°
C6C5C4C2514.7°17.2°
C5C6H5H6119.4°120.8°
C6C5H3H4119.0°119.7°
C6NC7C24125.6°122.8°
C6NC7C860.9°171.1°
C6NC24C2550.0°52.6°
C6NC7H7178.3°68.9°
C6NC7H860.0°51.1°
C6NC24H27170.4°67.7°
C6NC24H2870.5°172.8°
NC6H5H6119.4°120.3°
NC6C5H372.3°69.4°
NC6C5H4168.4°171.0°
NC7C8H7120.9°120.0°
NC7C8H8120.9°120.0°
NC7C8C9116.3°95.0°
NC7C8N165.2°85.2°
C7NC24C25176.7°175.9°
NC7H7H8117.2°120.0°
C7NC24H2762.9°55.7°
C7NC24H2856.2°63.9°
C7NC6H545.2°75.1°
C7NC6H674.4°45.3°
C7C8C9N1178.6°179.7°
C7C8C9S179.2°180.0°
C7C8N1C10179.6°179.9°
C8C7NC2464.7°66.1°
C8C7H7H8117.3°120.0°
C7C8C9H90.8°0.0°
C8C9SH9180.0°180.0°
C8C9SC100.5°0.1°
C9C8N1C101.8°0.2°
C9C8C7H7122.9°145.0°
C9C8C7H84.6°25.0°
C9SC10N11.6°0.0°
SC9C8N10.6°0.2°
C9SC10N2174.9°179.9°
SC10N1N2176.5°179.9°
SC10N1C82.1°0.1°
SC10N2C11167.8°0.1°
SC10N2C238.9°124.8°
C10SC9H9179.5°179.8°
N1C10N2C118.4°180.0°
N1C10N2C23167.3°55.1°
C8N1C10N2174.3°180.0°
N1C8C7H755.6°34.7°
N1C8C7H8173.9°154.8°
N1C8C9H9179.4°179.7°
C10N2C11C23159.9°124.5°
C10N2C11C12110.8°175.7°
C10N2C23C14109.1°175.7°
C10N2C11H109.7°64.1°
C10N2C11H11128.7°55.5°
C10N2C23H2511.2°55.5°
C10N2C23H26130.7°64.1°
N2C11C12H10120.5°120.2°
N2C11C12H11120.5°120.2°
N2C11C12C1352.8°59.5°
N2C11C12C1668.6°59.7°
C11N2C23C1450.9°59.8°
N2C11H10H11118.5°119.7°
N2C11C12H12171.1°179.7°
C11N2C23H25171.1°180.0°
C11N2C23H2669.3°60.4°
C11C12C13C16123.8°119.4°
C11C12C13H12118.2°120.3°
C11C12C13C1460.0°59.7°
C11C12C16N367.4°59.6°
C11C12C16H12120.3°120.7°
C12C11N2C2349.2°59.8°
C12C11H10H11118.5°119.8°
C11C12C13H13179.8°179.4°
C11C12C13H1459.9°59.9°
C11C12C16H18172.2°60.6°
C11C12C16H1953.1°179.7°
C12C13C14H13119.9°119.7°
C12C13C14H14119.9°119.6°
C12C13C14C1561.1°59.7°
C13C12C16N354.2°59.5°
C13C12C16H12118.1°120.2°
C12C13C14C2362.5°59.8°
C13C12C11H10173.3°60.7°
C13C12C11H1167.6°179.6°
C12C13H13H14120.4°120.7°
C12C13C14H15179.4°180.0°
C13C12C16H1866.2°179.7°
C13C12C16H19174.7°60.6°
C13C14C15C23121.5°119.1°
C13C14C15H15118.3°120.2°
C13C14C15N349.7°59.5°
C14C13C12C1663.8°59.7°
C13C14C23H15118.1°120.2°
C13C14C23N256.9°59.5°
C14C13C12H12178.1°180.0°
C14C13H13H14120.4°120.6°
C13C14C15H1670.9°60.6°
C13C14C15H17170.4°179.7°
C13C14C23H25177.2°179.6°
C13C14C23H2663.4°60.7°
C14C15N3H16120.6°120.2°
C14C15N3H17120.7°120.1°
C14C15N3C1642.3°60.0°
C14C15N3C17171.6°175.5°
C15C14C23H15120.3°120.7°
C15C14C23N264.7°59.6°
C15C14C13H1358.7°60.0°
C15C14C13H14179.0°179.3°
C14C15H16H17118.0°119.8°
C15C14C23H2555.6°60.5°
C15C14C23H26175.1°179.8°
C15N3C16C17145.7°124.5°
C15N3C16C1244.3°60.0°
C15N3C17C1844.4°124.7°
C15N3C17C22134.2°55.1°
N3C15C14C2371.7°59.6°
N3C15C14H15168.0°179.7°
N3C15H16H17118.0°119.8°
C15N3C16H1876.1°179.8°
C15N3C16H19164.8°60.2°
N3C16C12H18120.4°120.1°
N3C16C12H19120.4°120.1°
C16N3C17C18169.4°0.3°
C16N3C17C2212.1°180.0°
N3C16C12H12172.3°179.7°
C16N3C15H1678.3°60.2°
C16N3C15H17163.0°179.9°
N3C16H18H19118.7°119.8°
C12C16N3C17170.0°175.5°
C16C12C11H1051.9°179.8°
C16C12C11H11170.9°60.5°
C16C12C13H1356.1°59.9°
C16C12C13H14176.4°179.3°
C12C16H18H19118.7°119.8°
N3C17C18C22178.6°179.7°
N3C17C18C19178.8°179.7°
N3C17C22C21178.0°180.0°
C17N3C15H1667.8°64.3°
C17N3C15H1750.9°55.4°
C17N3C16H1869.6°55.3°
C17N3C16H1949.6°64.3°
N3C17C22H242.0°0.1°
N3C17C18H201.1°0.2°
C17C18C19H20180.0°179.5°
C17C18C19C200.9°0.6°
C18C17C22C210.6°0.3°
C17C18C19H21179.1°179.8°
C18C17C22H24179.4°179.8°
C18C19C20H21180.0°179.7°
C18C19C20C210.7°0.3°
C19C18C17C220.3°0.6°
C18C19C20H22179.4°179.7°
C19C20C21H22180.0°180.0°
C19C20C21C220.2°0.1°
C19C20C21H23179.8°180.0°
C20C19C18H20179.1°180.0°
C20C21C22H23180.0°180.0°
C20C21C22C170.9°0.1°
C21C20C19H21179.3°180.0°
C20C21C22H24179.1°180.0°
C21C22C17H24180.0°179.9°
C22C21C20H22179.8°179.9°
C17C22C21H23179.2°180.0°
C22C17C18H20179.7°180.0°
C14C23N2H25120.2°120.2°
C14C23N2H26120.2°120.2°
C23C14C13H13177.6°179.4°
C23C14C13H1457.4°59.9°
C23C14C15H16167.6°179.7°
C23C14C15H1748.9°60.6°
C14C23H25H26119.2°119.8°
C23N2C11H10169.7°60.4°
C23N2C11H1171.3°180.0°
N2C23C14H15175.0°179.7°
N2C23H25H26119.3°119.7°
NC24C25H27120.4°120.3°
NC24C25H28120.5°120.2°
NC24C25C416.7°17.5°
NC24C25C26160.8°162.6°
C24NC7H756.2°53.9°
C24NC7H8174.4°173.9°
NC24H27H28118.6°119.5°
C24NC6H5172.3°48.3°
C24NC6H652.8°168.6°
C24C25C4C26177.6°179.9°
C24C25C26C1179.8°179.8°
C25C24H27H28118.7°119.5°
C24C25C26H290.2°0.2°
C4C25C26C12.6°0.1°
C25C4C3H2179.4°179.8°
C4C25C24H27137.2°102.8°
C4C25C24H28103.7°137.7°
C4C25C26H29177.4°179.9°
C25C4C5H3105.6°103.0°
C25C4C5H4135.1°137.4°
C25C26C1H29180.0°180.0°
C26C25C24H2740.4°77.1°
C26C25C24H2878.7°42.4°
C26C1C2H1178.8°179.8°
H1C2C3H20.4°0.0°
H10C11C12H1268.5°59.5°
H11C11C12H1250.6°60.2°
H12C12C13H1362.0°60.3°
H12C12C13H1458.3°60.4°
H12C12C16H1851.9°60.1°
H12C12C16H1967.3°59.6°
H13C13C14H1559.5°60.3°
H14C13C14H1560.7°60.4°
H15C14C15H1647.4°59.6°
H15C14C15H1771.4°60.1°
H15C14C23H2564.7°60.2°
H15C14C23H2654.8°59.5°
H21C19C20H220.6°0.0°
H21C19C18H200.9°0.3°
H22C20C21H230.2°0.0°
H23C21C22H240.8°0.1°
H5C6C5H347.9°170.9°
H5C6C5H471.4°51.2°
H6C6C5H3167.5°50.2°
H6C6C5H448.2°69.4°

251801

PDB entries from 2026-04-08

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