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A1B0H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C14C13sing1.53Å1.58Å
C14O2sing1.43Å1.42Å
C13N2sing1.47Å1.47Å
C15O2sing1.43Å1.41Å
C15C16sing1.53Å1.54Å
C16C17sing1.53Å1.53Å
O1Cdoub1.22Å1.20Å
C17C18sing1.53Å1.53Å
N2C7sing1.38Å1.41Å
NC7doub1.31Å1.37ÅAromatic
NC5sing1.34Å1.40ÅAromatic
C18N3sing1.47Å1.48Å
C6C5doub1.40Å1.41ÅAromatic
C6C1sing1.39Å1.36ÅAromatic
N3C19sing1.47Å1.48Å
CC1sing1.48Å1.47Å
COsing1.35Å1.34Å
C7C8sing1.46Å1.47ÅAromatic
C5C4sing1.41Å1.43ÅAromatic
C1C2doub1.40Å1.40ÅAromatic
C19C20sing1.51Å1.50Å
CLC24sing1.74Å1.68Å
C25C20doub1.38Å1.41ÅAromatic
C25C24sing1.38Å1.39ÅAromatic
C20C21sing1.38Å1.40ÅAromatic
C24C23doub1.39Å1.40ÅAromatic
C8C9doub1.40Å1.44ÅAromatic
C8C12sing1.42Å1.42ÅAromatic
C4C12sing1.47Å1.46ÅAromatic
C4C3doub1.40Å1.40ÅAromatic
C21C22doub1.38Å1.40ÅAromatic
C2C3sing1.36Å1.39ÅAromatic
C23C22sing1.39Å1.41ÅAromatic
C23O3sing1.36Å1.39Å
C9C10sing1.37Å1.38ÅAromatic
C12C11doub1.39Å1.43ÅAromatic
O3C26sing1.43Å1.41Å
C10N1doub1.32Å1.38ÅAromatic
C26F2sing1.40Å1.33Å
C26Fsing1.40Å1.34Å
C26F1sing1.40Å1.31Å
C11N1sing1.32Å1.36ÅAromatic
C2H1sing1.08Å1.08Å
C3H2sing1.08Å1.08Å
C6H3sing1.08Å1.08Å
N2H4sing0.97Å1.00Å
N3H5sing1.01Å1.00Å
C10H7sing1.08Å1.08Å
C22H8sing1.08Å1.08Å
C21H9sing1.08Å1.08Å
C25H10sing1.08Å1.08Å
C19H11sing1.09Å1.10Å
C19H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C17H15sing1.09Å1.10Å
C17H16sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C15H19sing1.09Å1.10Å
C15H20sing1.09Å1.10Å
C14H21sing1.09Å1.10Å
C14H22sing1.09Å1.10Å
C13H23sing1.09Å1.10Å
C13H24sing1.09Å1.10Å
C11H25sing1.08Å1.08Å
C9H26sing1.08Å1.08Å
OH27sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13C14O2108.4°109.4°
C14C13N2111.2°109.4°
C13C14H21109.7°109.5°
C13C14H22109.7°109.4°
C14C13H23109.1°109.5°
C14C13H24109.0°109.4°
C14O2C15109.6°114.0°
O2C14H21109.7°109.5°
O2C14H22109.7°109.5°
C13N2C7123.7°120.0°
C13N2H4105.8°120.0°
N2C13H23109.0°109.4°
N2C13H24109.1°109.5°
O2C15C16107.7°109.5°
O2C15H19109.9°109.5°
O2C15H20109.9°109.5°
C15C16C17109.3°109.5°
C15C16H17109.5°109.5°
C15C16H18109.5°109.5°
C16C15H19109.9°109.5°
C16C15H20109.9°109.4°
C16C17C18110.1°109.5°
C16C17H15109.3°109.5°
C16C17H16109.3°109.4°
C17C16H17109.5°109.4°
C17C16H18109.5°109.5°
O1CC1124.8°120.0°
O1CO117.4°120.0°
C17C18N3111.6°109.5°
C17C18H13108.9°109.5°
C17C18H14108.9°109.4°
C18C17H15109.3°109.5°
C18C17H16109.3°109.5°
N2C7N118.5°119.7°
N2C7C8118.4°119.7°
C7N2H4105.8°120.0°
C7NC5116.7°123.4°
NC7C8123.1°120.6°
NC5C6114.9°120.0°
NC5C4125.3°121.1°
C18N3C19105.7°111.0°
C18N3H5110.4°111.0°
N3C18H13108.9°109.5°
N3C18H14108.9°109.5°
C5C6C1117.9°119.8°
C6C5C4119.8°118.9°
C5C6H3121.1°120.1°
C6C1C118.1°119.8°
C6C1C2123.8°120.5°
C1C6H3121.1°120.1°
N3C19C20113.2°109.5°
C19N3H5110.4°111.0°
N3C19H11108.5°109.5°
N3C19H12108.5°109.5°
C1CO117.8°120.0°
CC1C2117.9°119.8°
COH27109.5°117.1°
C7C8C9123.1°123.0°
C7C8C12118.6°118.7°
C5C4C12117.1°118.5°
C5C4C3120.5°120.2°
C1C2C3119.1°120.4°
C1C2H1120.5°119.8°
C19C20C25122.2°119.9°
C19C20C21116.7°120.0°
C20C19H11108.5°109.4°
C20C19H12108.5°109.5°
CLC24C25119.6°120.0°
CLC24C23119.3°120.0°
C20C25C24117.9°120.0°
C25C20C21121.2°120.1°
C20C25H10121.0°120.0°
C25C24C23121.0°119.9°
C24C25H10121.1°120.0°
C20C21C22120.6°120.1°
C20C21H9119.7°120.0°
C24C23C22121.0°119.9°
C24C23O3118.6°120.1°
C9C8C12118.4°118.3°
C8C9C10118.2°118.6°
C8C9H26120.9°120.8°
C8C12C4119.2°117.7°
C8C12C11119.0°119.0°
C12C4C3122.4°121.2°
C4C12C11121.8°123.3°
C4C3C2118.9°120.2°
C4C3H2120.5°119.9°
C21C22C23118.3°119.9°
C21C22H8120.9°120.0°
C22C21H9119.7°120.0°
C3C2H1120.5°119.8°
C2C3H2120.6°119.9°
C22C23O3120.4°120.0°
C23C22H8120.8°120.0°
C23O3C26117.5°117.0°
C9C10N1124.6°121.8°
C9C10H7117.7°119.2°
C10C9H26120.9°120.7°
C12C11N1121.8°119.7°
C12C11H25119.1°120.1°
O3C26F2108.9°109.5°
O3C26F112.7°109.5°
O3C26F1111.8°109.5°
C10N1C11118.0°122.6°
N1C10H7117.7°119.1°
F2C26F107.8°109.5°
F2C26F1107.0°109.4°
FC26F1108.3°109.5°
N1C11H25119.1°120.1°
H11C19H12109.5°109.5°
H13C18H14109.5°109.5°
H15C17H16109.5°109.4°
H17C16H18109.5°109.5°
H19C15H20109.4°109.4°
H21C14H22109.5°109.5°
H23C13H24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13C14O2H21119.8°120.0°
C13C14O2H22119.8°119.9°
C14C13N2H23120.3°120.0°
C14C13N2H24120.2°119.9°
C13C14O2C15176.5°180.0°
C14C13N2C776.5°180.0°
C14C13N2H445.4°0.0°
C13C14H21H22120.5°120.0°
C14C13H23H24119.2°120.0°
O2C14C13N268.1°65.0°
C14O2C15C16167.7°180.0°
C14O2C15H1947.9°59.9°
C14O2C15H2072.6°60.1°
O2C14H21H22120.5°120.0°
O2C14C13H2352.2°54.9°
O2C14C13H24171.7°175.0°
C13N2C7H4121.9°180.0°
C13N2C7N0.6°0.0°
C13N2C7C8177.3°180.0°
N2C13C14H2151.8°54.9°
N2C13C14H22172.1°175.0°
N2C13H23H24119.2°120.0°
O2C15C16H19119.7°120.1°
O2C15C16H20119.7°120.0°
O2C15C16C17170.4°180.0°
O2C15C16H1769.6°60.0°
O2C15C16H1850.5°60.0°
O2C15H19H20120.8°120.0°
C15O2C14H2156.7°60.0°
C15O2C14H2263.7°60.1°
C15C16C17H17120.0°120.0°
C15C16C17H18120.0°120.0°
C15C16C17C18174.0°NaN°
C15C16C17H1553.9°59.9°
C15C16C17H1665.9°60.0°
C15C16H17H18120.1°120.0°
C16C15H19H20120.8°119.9°
C16C17C18H15120.1°120.1°
C16C17C18H16120.1°120.0°
C16C17C18N3177.9°180.0°
C16C17C18H1361.8°60.0°
C16C17C18H1457.6°60.0°
C16C17H15H16119.7°120.0°
C17C16H17H18120.1°120.0°
C17C16C15H1950.7°59.9°
C17C16C15H2069.8°60.0°
O1CC1C623.8°0.3°
O1CC1O177.8°180.0°
O1CC1C2160.8°180.0°
O1COH270.0°0.0°
C17C18N3H13120.3°120.0°
C17C18N3H14120.3°120.0°
C17C18N3C19173.2°180.0°
C17C18N3H553.8°56.0°
C17C18H13H14119.0°119.9°
C18C17H15H16119.7°120.0°
C18C17C16H1766.1°60.0°
C18C17C16H1854.0°60.0°
N2C7NC8177.8°179.9°
N2C7NC5178.4°179.9°
N2C7C8C92.6°0.0°
N2C7C8C12177.0°180.0°
C7N2C13H23163.2°60.0°
C7N2C13H2443.8°60.0°
C7NC5C6179.9°180.0°
C7NC5C41.3°0.1°
NC7C8C9179.6°179.9°
NC7C8C120.8°0.1°
NC7N2H4122.5°179.9°
NC5C6C4178.7°179.9°
NC5C6C1178.5°180.0°
C5NC7C80.6°0.0°
NC5C4C120.4°0.1°
NC5C4C3179.3°180.0°
NC5C6H31.5°0.0°
C18N3C19H5119.4°124.0°
C18N3C19C20179.3°180.0°
C18N3C19H1160.2°60.0°
C18N3C19H1258.7°60.0°
N3C18H13H14119.0°120.0°
N3C18C17H1557.8°59.9°
N3C18C17H1662.0°60.0°
C5C6C1H3180.0°180.0°
C5C6C1C174.5°179.7°
C5C6C1C20.6°0.0°
C6C5C4C12179.0°180.0°
C6C5C4C30.8°0.0°
C6C1CC2175.4°179.7°
C6C1CO154.0°179.7°
C1C6C5C40.1°0.0°
C6C1C2C30.2°0.1°
C6C1C2H1179.9°180.0°
N3C19C20H11120.5°120.0°
N3C19C20H12120.6°120.1°
N3C19C20C2519.3°90.3°
N3C19C20C21162.2°90.0°
N3C19H11H12118.3°120.1°
C19N3C18H1366.4°60.0°
C19N3C18H1452.9°60.0°
CC1C2C3175.0°179.8°
CC1C2H15.0°0.3°
CC1C6H35.5°0.3°
C1COH27178.0°180.0°
OCC1C221.4°0.0°
C7C8C9C12179.6°180.0°
C7C8C12C41.6°0.0°
C7C8C9C10179.4°179.9°
C7C8C12C11178.1°180.0°
C8C7N2H455.4°0.0°
C7C8C9H260.6°0.0°
C5C4C12C81.1°0.1°
C5C4C12C3179.7°179.9°
C5C4C3C21.2°0.1°
C5C4C12C11178.7°180.0°
C5C4C3H2178.7°180.0°
C4C5C6H3179.8°180.0°
C1C2C3C40.8°0.1°
C1C2C3H1180.0°179.9°
C1C2C3H2179.2°180.0°
C2C1C6H3179.4°179.9°
C19C20C25C21178.5°179.7°
C19C20C25C24178.1°179.8°
C19C20C21C22177.8°179.8°
C20C19N3H559.9°56.0°
C19C20C21H92.2°0.3°
C19C20C25H101.9°0.3°
C20C19H11H12118.3°119.9°
CLC24C25C20175.0°180.0°
CLC24C25C23175.9°179.9°
CLC24C23C22174.1°180.0°
CLC24C23O36.3°0.1°
CLC24C25H105.1°0.1°
C20C25C24H10180.0°179.9°
C20C25C24C230.9°0.1°
C25C20C21C220.8°0.1°
C25C20C21H9179.3°180.0°
C25C20C19H11139.8°149.7°
C25C20C19H12101.3°29.8°
C24C25C20C210.4°0.1°
C25C24C23C221.8°0.1°
C25C24C23O3177.8°180.0°
C20C21C22H9180.0°179.9°
C20C21C22C230.1°0.1°
C20C21C22H8179.9°180.0°
C21C20C25H10179.7°180.0°
C21C20C19H1141.6°30.0°
C21C20C19H1277.3°149.9°
C24C23C22C211.4°0.1°
C24C23C22O3179.6°179.9°
C24C23O3C2693.6°179.9°
C24C23C22H8178.6°180.0°
C23C24C25H10179.1°180.0°
C9C8C12C4178.7°180.0°
C8C9C10H26180.0°179.9°
C9C8C12C111.5°0.1°
C8C9C10N11.5°0.1°
C8C9C10H7178.5°180.0°
C8C12C4C11179.7°180.0°
C8C12C4C3179.2°180.0°
C12C8C9C100.3°0.1°
C8C12C11N11.2°0.0°
C8C12C11H25178.8°180.0°
C12C8C9H26179.8°180.0°
C12C4C3C2178.5°180.0°
C4C12C11N1179.1°180.0°
C12C4C3H21.5°0.1°
C4C12C11H250.9°0.0°
C4C3C2H2180.0°179.9°
C3C4C12C111.0°0.0°
C4C3C2H1179.2°180.0°
C21C22C23H8180.0°179.9°
C21C22C23O3178.2°180.0°
C22C23O3C2686.1°0.1°
C23C22C21H9179.9°180.0°
C23O3C26F2174.9°60.0°
C23O3C26F55.2°60.0°
C23O3C26F167.1°180.0°
O3C23C22H81.8°0.1°
C9C10N1H7180.0°179.9°
C9C10N1C111.9°0.1°
C12C11N1C100.5°0.0°
C12C11N1H25180.0°180.0°
O3C26F2F122.6°120.0°
O3C26F2F1121.1°120.0°
O3C26FF1124.3°120.0°
C10N1C11H25179.5°180.0°
N1C10C9H26178.5°180.0°
F2C26FF1115.5°119.9°
C11N1C10H7178.1°180.0°
H1C2C3H20.8°0.1°
H4N2C13H2374.8°120.0°
H4N2C13H24165.7°119.9°
H5N3C19H11179.6°176.0°
H5N3C19H1260.7°64.0°
H5N3C18H13174.2°64.0°
H5N3C18H1466.5°176.0°
H7C10C9H261.6°0.1°
H8C22C21H90.1°0.1°
H13C18C17H15178.2°180.0°
H13C18C17H1658.3°60.0°
H14C18C17H1562.5°60.1°
H14C18C17H16177.7°180.0°
H15C17C16H17173.8°180.0°
H15C17C16H1866.1°60.1°
H16C17C16H1754.0°60.0°
H16C17C16H18174.1°180.0°
H17C16C15H19170.7°179.9°
H17C16C15H2050.1°60.0°
H18C16C15H1969.3°60.1°
H18C16C15H20170.2°180.0°
H21C14C13H23172.0°174.9°
H21C14C13H2468.5°65.0°
H22C14C13H2367.6°65.0°
H22C14C13H2451.9°55.0°

250359

PDB entries from 2026-03-11

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