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A1B0D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C14C13sing1.53Å1.52Å
C14C15sing1.51Å1.51Å
C13N3sing1.47Å1.45Å
C15N4doub1.30Å1.46Å
N4C16sing1.35Å1.32Å
C16C17sing1.51Å1.51Å
C16O1doub1.21Å1.22Å
C17C18sing1.53Å1.52Å
N3C7sing1.38Å1.32Å
OCdoub1.22Å1.19Å
N1C7doub1.31Å1.31ÅAromatic
N1C5sing1.35Å1.37ÅAromatic
C18N5sing1.47Å1.46Å
N5C19sing1.47Å1.46Å
CLC24sing1.74Å1.73Å
C6C5doub1.40Å1.41ÅAromatic
C6C1sing1.39Å1.37ÅAromatic
C7C8sing1.46Å1.43ÅAromatic
CC1sing1.48Å1.50Å
CNsing1.35Å1.28Å
C25C24doub1.38Å1.38ÅAromatic
C25C20sing1.38Å1.38ÅAromatic
C5C4sing1.41Å1.40ÅAromatic
C24C23sing1.39Å1.39ÅAromatic
C1C2doub1.40Å1.38ÅAromatic
C19C20sing1.51Å1.51Å
C31C30doub1.38Å1.39ÅAromatic
C31C26sing1.39Å1.40ÅAromatic
C20C21doub1.38Å1.38ÅAromatic
C8C9doub1.40Å1.41ÅAromatic
C8C12sing1.42Å1.41ÅAromatic
C30C29sing1.38Å1.37ÅAromatic
C23C26sing1.48Å1.49Å
C23C22doub1.39Å1.38ÅAromatic
C4C12sing1.47Å1.39ÅAromatic
C4C3doub1.40Å1.40ÅAromatic
C9C10sing1.37Å1.36ÅAromatic
C26C27doub1.39Å1.39ÅAromatic
C21C22sing1.38Å1.38ÅAromatic
C2C3sing1.36Å1.35ÅAromatic
C12C11doub1.39Å1.41ÅAromatic
C29C28doub1.38Å1.38ÅAromatic
C10N2doub1.32Å1.33ÅAromatic
C27C28sing1.38Å1.38ÅAromatic
C11N2sing1.32Å1.31ÅAromatic
C27H1sing1.08Å1.08Å
C28H2sing1.08Å1.08Å
C30H3sing1.08Å1.08Å
C31H4sing1.08Å1.08Å
C29H5sing1.08Å1.08Å
C22H6sing1.08Å1.08Å
C21H7sing1.08Å1.08Å
C25H8sing1.08Å1.08Å
C19H9sing1.09Å1.10Å
C19H10sing1.09Å1.10Å
N5H11sing1.01Å1.00Å
C18H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C17H15sing1.09Å1.10Å
C17H16sing1.09Å1.10Å
C15H17sing1.08Å1.08Å
C14H18sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C13H20sing1.09Å1.10Å
C13H21sing1.09Å1.10Å
N3H22sing0.97Å1.00Å
C11H23sing1.08Å1.08Å
C10H24sing1.08Å1.08Å
C9H25sing1.08Å1.08Å
C3H26sing1.08Å1.08Å
C2H27sing1.08Å1.08Å
C6H28sing1.08Å1.08Å
NH29sing0.97Å1.00Å
NH30sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13C14C15110.5°109.5°
C14C13N3109.9°109.5°
C13C14H18109.2°109.5°
C13C14H19109.2°109.5°
C14C13H20109.4°109.5°
C14C13H21109.3°109.5°
C14C15N4115.2°120.0°
C14C15H17122.4°120.0°
C15C14H18109.2°109.5°
C15C14H19109.2°109.4°
C13N3C7122.1°120.0°
N3C13H20109.4°109.5°
N3C13H21109.4°109.5°
C13N3H22106.3°120.0°
C15N4C16120.2°120.0°
N4C15H17122.4°120.0°
N4C16C17116.6°120.0°
N4C16O1121.8°120.0°
C17C16O1121.6°120.0°
C16C17C18113.1°109.5°
C16C17H15108.5°109.5°
C16C17H16108.5°109.5°
C17C18N5111.4°109.5°
C17C18H13109.0°109.5°
C17C18H14109.0°109.5°
C18C17H15108.6°109.4°
C18C17H16108.6°109.4°
N3C7N1118.2°119.7°
N3C7C8118.9°119.7°
C7N3H22106.2°120.0°
OCC1119.5°120.0°
OCN122.9°120.0°
C7N1C5118.9°123.4°
N1C7C8122.9°120.6°
N1C5C6117.8°120.0°
N1C5C4122.9°121.1°
C18N5C19114.2°111.0°
C18N5H11108.3°111.0°
N5C18H13109.0°109.5°
N5C18H14109.0°109.4°
N5C19C20113.9°109.5°
N5C19H9108.3°109.5°
N5C19H10108.4°109.5°
C19N5H11108.3°111.0°
CLC24C25116.4°120.1°
CLC24C23121.8°120.1°
C5C6C1120.9°119.8°
C6C5C4119.3°118.9°
C5C6H28119.6°120.1°
C6C1C119.5°119.8°
C6C1C2119.3°120.4°
C1C6H28119.5°120.1°
C7C8C9124.6°123.0°
C7C8C12117.4°118.7°
C1CN117.6°120.0°
CC1C2121.0°119.8°
CNH29120.0°120.1°
CNH30120.0°120.0°
C24C25C20120.7°120.1°
C25C24C23121.7°119.9°
C24C25H8119.7°120.0°
C25C20C19119.5°119.9°
C25C20C21117.8°120.2°
C20C25H8119.7°119.9°
C5C4C12118.2°118.5°
C5C4C3118.1°120.2°
C24C23C26124.3°120.2°
C24C23C22117.0°119.7°
C1C2C3120.8°120.4°
C1C2H27119.6°119.8°
C19C20C21122.6°119.9°
C20C19H9108.3°109.5°
C20C19H10108.3°109.4°
C30C31C26121.2°119.9°
C31C30C29120.1°120.1°
C31C30H3119.9°120.0°
C30C31H4119.4°120.1°
C31C26C23121.2°120.1°
C31C26C27117.8°119.7°
C26C31H4119.4°120.0°
C20C21C22121.5°120.2°
C20C21H7119.2°119.9°
C9C8C12118.0°118.3°
C8C9C10119.0°118.5°
C8C9H25120.5°120.8°
C8C12C4119.6°117.7°
C8C12C11116.8°119.1°
C30C29C28119.7°120.2°
C29C30H3120.0°119.9°
C30C29H5120.2°119.9°
C26C23C22118.6°120.1°
C23C26C27120.9°120.1°
C23C22C21121.2°119.9°
C23C22H6119.4°120.0°
C12C4C3123.7°121.3°
C4C12C11123.5°123.2°
C4C3C2121.6°120.2°
C4C3H26119.2°119.9°
C9C10N2124.3°121.8°
C9C10H24117.9°119.1°
C10C9H25120.5°120.7°
C26C27C28120.9°119.9°
C26C27H1119.6°120.1°
C21C22H6119.4°120.1°
C22C21H7119.3°119.9°
C2C3H26119.2°119.9°
C3C2H27119.6°119.8°
C12C11N2124.4°119.7°
C12C11H23117.8°120.2°
C29C28C27120.4°120.1°
C29C28H2119.8°119.9°
C28C29H5120.2°119.9°
C10N2C11117.5°122.6°
N2C10H24117.9°119.1°
C28C27H1119.5°120.0°
C27C28H2119.8°119.9°
N2C11H23117.8°120.1°
H9C19H10109.5°109.5°
H13C18H14109.5°109.5°
H15C17H16109.5°109.5°
H18C14H19109.5°109.4°
H20C13H21109.4°109.5°
H29NH30120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13C14C15H18120.1°120.1°
C13C14C15H19120.1°120.0°
C14C13N3H20120.1°120.0°
C14C13N3H21120.1°120.0°
C13C14C15N4174.3°125.0°
C14C13N3C784.8°180.0°
C13C14C15H175.7°55.0°
C13C14H18H19119.5°120.0°
C14C13H20H21119.8°120.0°
C14C13N3H2236.9°0.1°
C15C14C13N366.5°180.0°
C14C15N4H17180.0°180.0°
C14C15N4C16167.4°180.0°
C15C14H18H19119.5°119.9°
C15C14C13H2053.6°60.0°
C15C14C13H21173.4°60.0°
C13N3C7H22121.8°179.9°
C13N3C7N13.1°0.1°
C13N3C7C8176.2°180.0°
N3C13C14H1853.6°60.0°
N3C13C14H19173.3°60.1°
N3C13H20H21119.8°120.0°
C15N4C16C17171.8°180.0°
C15N4C16O18.3°0.1°
N4C15C14H1854.2°115.0°
N4C15C14H1965.6°5.0°
N4C16C17O1179.8°179.9°
N4C16C17C18160.5°180.0°
N4C16C17H1539.9°60.1°
N4C16C17H1678.9°60.0°
C16N4C15H1712.6°0.1°
C16C17C18H15120.5°120.0°
C16C17C18H16120.5°120.1°
C16C17C18N5173.8°180.0°
C16C17C18H1365.9°60.0°
C16C17C18H1453.5°60.0°
C16C17H15H16118.3°120.1°
O1C16C17C1819.7°0.1°
O1C16C17H15140.2°120.0°
O1C16C17H16100.9°119.9°
C17C18N5H13120.3°120.0°
C17C18N5H14120.3°120.0°
C17C18N5C19177.0°180.0°
C17C18N5H1156.3°56.0°
C17C18H13H14119.1°120.0°
C18C17H15H16118.4°119.9°
N3C7N1C8179.3°180.0°
N3C7N1C5177.0°179.9°
N3C7C8C93.4°0.0°
N3C7C8C12176.0°179.7°
C7N3C13H20155.1°60.0°
C7N3C13H2135.2°60.0°
OCC1C630.3°0.0°
OCC1N177.3°180.0°
OCC1C2154.1°179.9°
OCNH290.0°180.0°
OCNH30180.0°0.0°
C7N1C5C6177.8°180.0°
C7N1C5C40.1°0.4°
N1C7C8C9177.3°180.0°
N1C7C8C123.3°0.3°
N1C7N3H22124.9°180.0°
N1C5C6C4177.9°179.6°
N1C5C6C1176.5°179.7°
C5N1C7C82.2°0.1°
N1C5C4C121.0°0.3°
N1C5C4C3177.7°179.7°
N1C5C6H283.5°0.1°
C18N5C19H11120.7°124.0°
C18N5C19C20179.5°180.0°
C18N5C19H959.9°60.0°
C18N5C19H1058.9°60.0°
N5C18H13H14119.2°120.0°
N5C18C17H1553.2°60.0°
N5C18C17H1665.7°60.0°
N5C19C20C2593.0°90.0°
N5C19C20H9120.6°120.0°
N5C19C20H10120.7°120.0°
N5C19C20C2190.2°90.5°
N5C19H9H10118.0°120.0°
C19N5C18H1362.7°60.0°
C19N5C18H1456.8°60.0°
CLC24C25C23176.1°179.8°
CLC24C25C20172.3°179.7°
CLC24C23C262.6°0.0°
CLC24C23C22173.7°180.0°
CLC24C25H87.7°0.0°
C5C6C1H28180.0°179.7°
C5C6C1C173.9°180.0°
C5C6C1C21.9°0.1°
C6C5C4C12178.8°179.9°
C6C5C4C30.1°0.1°
C6C1CC2175.6°179.9°
C6C1CN147.0°180.0°
C1C6C5C41.4°0.1°
C6C1C2C31.0°0.1°
C6C1C2H27179.0°180.0°
C7C8C9C12179.4°179.7°
C7C8C12C42.2°0.3°
C7C8C9C10177.4°179.8°
C7C8C12C11177.3°179.7°
C8C7N3H2254.4°0.0°
C7C8C9H252.6°0.3°
CC1C2C3174.6°180.0°
CC1C2H275.4°0.1°
CC1C6H286.1°0.3°
C1CNH29177.2°0.0°
C1CNH302.8°180.0°
NCC1C228.6°0.1°
CNH29H30180.0°180.0°
C24C25C20H8180.0°179.8°
C24C25C20C19174.7°180.0°
C24C25C20C212.2°0.5°
C25C24C23C26178.4°179.8°
C25C24C23C222.2°0.2°
C20C25C24C233.8°0.5°
C25C20C19C21176.8°179.5°
C25C20C21C220.9°0.3°
C25C20C21H7179.1°179.8°
C25C20C19H927.6°150.0°
C25C20C19H10146.3°30.0°
C5C4C12C80.2°0.0°
C5C4C12C3178.6°180.0°
C5C4C3C20.7°0.1°
C5C4C12C11179.3°180.0°
C5C4C3H26179.3°180.0°
C4C5C6H28178.6°179.6°
C24C23C26C3154.3°130.0°
C24C23C26C22176.2°180.0°
C24C23C26C27122.5°49.9°
C24C23C22C210.9°0.0°
C24C23C22H6179.1°179.9°
C23C24C25H8176.2°179.7°
C1C2C3C40.3°0.0°
C1C2C3H27180.0°180.0°
C1C2C3H26179.7°180.0°
C2C1C6H28178.2°179.7°
C19C20C21C22177.7°179.8°
C19C20C21H72.3°0.3°
C19C20C25H85.3°0.2°
C20C19H9H10118.0°119.9°
C20C19N5H1158.8°56.0°
C30C31C26H4180.0°179.1°
C31C30C29H3180.0°179.4°
C30C31C26C23175.9°179.5°
C30C31C26C271.0°0.7°
C31C30C29C280.6°0.6°
C31C30C29H5179.3°180.0°
C26C31C30C291.0°1.0°
C31C26C23C27176.8°179.9°
C31C26C23C22129.5°50.0°
C31C26C27C280.7°0.0°
C31C26C27H1179.3°179.6°
C26C31C30H3179.0°179.7°
C20C21C22C232.5°0.0°
C20C21C22H7180.0°179.9°
C20C21C22H6177.5°179.9°
C21C20C25H8177.8°179.7°
C21C20C19H9149.1°29.5°
C21C20C19H1030.4°149.5°
C9C8C12C4178.4°180.0°
C8C9C10H25180.0°180.0°
C9C8C12C112.1°0.0°
C8C9C10N20.3°0.1°
C8C9C10H24179.7°180.0°
C8C12C4C11179.4°180.0°
C8C12C4C3178.8°180.0°
C12C8C9C102.0°0.0°
C8C12C11N20.5°0.0°
C8C12C11H23179.5°179.9°
C12C8C9H25178.0°180.0°
C30C29C28H5180.0°179.4°
C30C29C28C270.3°0.0°
C30C29C28H2179.7°179.9°
C29C30C31H4179.0°180.0°
C26C23C22C21175.5°180.0°
C23C26C27C28176.3°179.9°
C23C26C27H13.8°0.3°
C23C26C31H44.1°0.4°
C26C23C22H64.5°0.1°
C22C23C26C2753.7°130.1°
C23C22C21H6180.0°179.9°
C23C22C21H7177.5°179.9°
C12C4C3C2177.9°179.9°
C4C12C11N2179.9°180.0°
C4C12C11H230.0°0.0°
C12C4C3H262.1°0.0°
C4C3C2H26180.0°179.9°
C3C4C12C110.7°0.0°
C4C3C2H27179.7°180.0°
C9C10N2H24180.0°179.9°
C9C10N2C111.4°0.1°
C26C27C28C290.3°0.3°
C26C27C28H1180.0°179.7°
C26C27C28H2179.7°179.8°
C27C26C31H4179.0°179.7°
C12C11N2C101.2°0.0°
C12C11N2H23180.0°179.9°
C29C28C27H2180.0°179.9°
C29C28C27H1179.6°180.0°
C28C29C30H3179.3°180.0°
C10N2C11H23178.8°179.9°
N2C10C9H25179.8°179.9°
C27C28C29H5179.7°179.4°
C11N2C10H24178.7°180.0°
H1C27C28H20.4°0.1°
H2C28C29H50.3°0.6°
H3C30C31H41.0°0.6°
H3C30C29H50.7°0.7°
H6C22C21H72.5°0.0°
H9C19N5H11179.4°64.0°
H10C19N5H1161.8°176.0°
H11N5C18H13176.6°64.0°
H11N5C18H1463.9°176.0°
H13C18C17H15173.5°180.0°
H13C18C17H1654.6°60.0°
H14C18C17H1567.0°60.0°
H14C18C17H16174.0°180.0°
H17C15C14H18125.8°65.1°
H17C15C14H19114.5°175.0°
H18C14C13H20173.7°179.9°
H18C14C13H2166.5°60.0°
H19C14C13H2066.6°59.9°
H19C14C13H2153.2°180.0°
H20C13N3H2283.2°119.9°
H21C13N3H22157.0°120.1°
H24C10C9H250.3°0.0°
H26C3C2H270.3°0.1°

250359

PDB entries from 2026-03-11

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