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A1EQ4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5Nsing1.47Å1.46Å
C6Nsing1.47Å1.46Å
NC4sing1.35Å1.34Å
OCdoub1.22Å1.24Å
C4O1doub1.22Å1.22Å
C4C3sing1.48Å1.50Å
C2C3doub1.39Å1.39ÅAromatic
C2C1sing1.39Å1.40ÅAromatic
C3C7sing1.40Å1.39ÅAromatic
CC1sing1.48Å1.48Å
CC23sing1.41Å1.44Å
C1C17doub1.41Å1.40ÅAromatic
C7C8doub1.36Å1.39ÅAromatic
C23C18doub1.36Å1.37Å
C17C8sing1.39Å1.40ÅAromatic
C17O2sing1.35Å1.38Å
C10C9sing1.53Å1.53Å
C8C9sing1.51Å1.52Å
C18O2sing1.34Å1.36Å
C18N2sing1.37Å1.42Å
C9N1sing1.47Å1.46Å
C19N2sing1.47Å1.47Å
C19C20sing1.53Å1.50Å
N2C22sing1.47Å1.47Å
N1C11sing1.40Å1.39Å
C22C21sing1.53Å1.51Å
C20O3sing1.43Å1.42Å
C11C12doub1.39Å1.39ÅAromatic
C11C16sing1.39Å1.39ÅAromatic
O3C21sing1.43Å1.43Å
C12C13sing1.38Å1.37ÅAromatic
C16C15doub1.38Å1.38ÅAromatic
C13Fsing1.35Å1.36Å
C13C14doub1.38Å1.37ÅAromatic
C15C14sing1.39Å1.37ÅAromatic
C15F1sing1.35Å1.36Å
N1H1sing0.97Å1.00Å
C7H2sing1.08Å1.08Å
C9H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C6H7sing1.09Å1.10Å
C6H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C2H10sing1.08Å1.08Å
C14H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C16H13sing1.08Å1.08Å
C10H14sing1.09Å1.10Å
C10H15sing1.09Å1.10Å
C10H16sing1.09Å1.10Å
C23H17sing1.08Å1.08Å
C22H18sing1.09Å1.10Å
C22H19sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C20H22sing1.09Å1.10Å
C20H23sing1.09Å1.10Å
C19H24sing1.09Å1.10Å
C19H25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5NC6114.2°120.0°
C5NC4120.8°120.0°
NC5H4109.5°109.4°
NC5H5109.5°109.4°
NC5H6109.5°109.5°
C6NC4125.0°120.0°
NC6H7109.5°109.5°
NC6H8109.5°109.4°
NC6H9109.5°109.5°
NC4O1122.5°120.0°
NC4C3118.8°120.0°
OCC1122.1°121.3°
OCC23122.1°121.3°
O1C4C3118.7°120.0°
C4C3C2119.5°120.0°
C4C3C7120.5°120.0°
C3C2C1120.1°119.3°
C2C3C7119.9°119.9°
C3C2H10120.0°120.3°
C2C1C121.6°121.3°
C2C1C17119.1°120.2°
C1C2H10120.0°120.4°
C3C7C8121.3°120.7°
C3C7H2119.3°119.7°
C1CC23115.9°117.4°
CC1C17119.3°118.5°
CC23C18120.7°119.6°
CC23H17119.7°120.2°
C1C17C8121.7°119.6°
C1C17O2121.3°119.7°
C7C8C17117.9°120.2°
C7C8C9120.8°119.9°
C8C7H2119.4°119.6°
C23C18O2122.6°122.6°
C23C18N2127.2°118.7°
C18C23H17119.7°120.2°
C8C17O2117.0°120.7°
C17C8C9121.3°119.8°
C17O2C18120.3°122.3°
C10C9C8111.3°109.5°
C10C9N1108.8°109.5°
C10C9H3108.3°109.5°
C9C10H14109.5°109.5°
C9C10H15109.5°109.4°
C9C10H16109.5°109.5°
C8C9N1110.8°109.4°
C8C9H3108.4°109.5°
O2C18N2110.2°118.7°
C18N2C19122.9°121.0°
C18N2C22122.0°120.9°
C9N1C11124.2°120.0°
C9N1H1105.7°120.0°
N1C9H3109.2°109.5°
N2C19C20109.4°108.4°
C19N2C22112.7°118.0°
N2C19H24109.5°109.6°
N2C19H25109.5°109.6°
C19C20O3111.5°109.0°
C19C20H22109.0°109.2°
C19C20H23108.9°110.0°
C20C19H24109.5°109.7°
C20C19H25109.5°109.7°
N2C22C21110.3°108.4°
N2C22H18109.3°109.7°
N2C22H19109.3°109.7°
N1C11C12121.6°120.1°
N1C11C16118.3°120.1°
C11N1H1105.7°120.0°
C22C21O3112.3°109.2°
C21C22H18109.3°109.6°
C21C22H19109.3°109.6°
C22C21H20108.7°109.5°
C22C21H21108.8°109.5°
C20O3C21110.6°114.0°
O3C20H22109.0°109.6°
O3C20H23109.0°109.5°
C12C11C16120.1°119.8°
C11C12C13118.2°120.0°
C11C12H12120.9°120.0°
C11C16C15118.2°120.0°
C11C16H13120.9°120.0°
O3C21H20108.8°109.5°
O3C21H21108.7°109.5°
C12C13F118.1°120.0°
C12C13C14123.8°120.0°
C13C12H12120.9°120.0°
C16C15C14123.8°120.1°
C16C15F1118.1°120.0°
C15C16H13120.9°120.0°
FC13C14118.1°120.0°
C13C14C15116.0°120.1°
C13C14H11122.0°119.9°
C14C15F1118.1°119.9°
C15C14H11122.0°120.0°
H4C5H5109.4°109.5°
H4C5H6109.5°109.5°
H5C5H6109.5°109.5°
H7C6H8109.5°109.4°
H7C6H9109.5°109.5°
H8C6H9109.5°109.5°
H14C10H15109.5°109.5°
H14C10H16109.5°109.5°
H15C10H16109.4°109.5°
H18C22H19109.5°109.7°
H20C21H21109.5°109.6°
H22C20H23109.5°109.5°
H24C19H25109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5NC6C4179.6°180.0°
C5NC4O12.5°6.0°
C5NC4C3178.4°173.9°
NC5H4H5120.0°119.9°
NC5H4H6120.0°120.0°
NC5H5H6120.0°120.0°
C5NC6H7180.0°85.3°
C5NC6H860.0°154.8°
C5NC6H960.0°34.8°
C6NC4O1177.9°174.0°
C6NC4C31.2°6.0°
C6NC5H4180.0°90.0°
C6NC5H560.0°150.0°
C6NC5H660.0°30.0°
NC6H7H8120.0°119.9°
NC6H7H9120.0°120.0°
NC6H8H9120.0°120.0°
NC4O1C3179.1°180.0°
NC4C3C2116.3°34.9°
NC4C3C766.3°145.1°
C4NC5H40.4°90.0°
C4NC5H5119.6°29.9°
C4NC5H6120.4°150.0°
C4NC6H70.4°94.7°
C4NC6H8120.4°25.2°
C4NC6H9119.6°145.2°
OCC1C23.0°0.0°
OCC1C23179.5°180.0°
OCC1C17178.7°180.0°
OCC23C18179.6°180.0°
OCC23H170.5°0.1°
O1C4C3C262.9°145.0°
O1C4C3C7114.5°35.0°
C4C3C2C7177.4°180.0°
C4C3C2C1176.1°179.9°
C4C3C7C8176.8°180.0°
C4C3C7H23.2°0.3°
C4C3C2H103.9°0.0°
C3C2C1H10180.0°179.9°
C3C2C1C177.6°179.7°
C3C2C1C170.7°0.2°
C2C3C7C80.5°0.0°
C2C3C7H2179.5°179.7°
C1C2C3C71.4°0.1°
C2C1CC17178.3°180.0°
C2C1CC23177.5°180.0°
C2C1C17C80.8°0.5°
C2C1C17O2177.6°180.0°
C3C7C8H2180.0°179.8°
C3C7C8C170.9°0.3°
C3C7C8C9176.6°179.7°
C7C3C2H10178.7°180.0°
C1CC23C180.0°0.1°
CC1C17C8179.2°179.5°
CC1C17O20.7°0.0°
CC1C2H102.4°0.3°
C1CC23H17180.0°179.9°
C23CC1C170.8°0.0°
CC23C18H17180.0°179.9°
CC23C18O21.0°0.1°
CC23C18N2177.4°180.0°
C1C17C8C71.6°0.5°
C1C17C8O2178.5°179.5°
C1C17C8C9175.9°179.4°
C1C17O2C180.3°0.0°
C17C1C2H10179.3°179.7°
C7C8C17C9177.5°180.0°
C7C8C17O2176.9°180.0°
C7C8C9C1080.9°90.5°
C7C8C9N140.3°29.5°
C7C8C9H3160.1°149.5°
C23C18O2C171.2°0.1°
C23C18O2N2178.7°180.0°
C23C18N2C194.3°145.5°
C23C18N2C22156.7°34.7°
C17C8C9C1096.6°89.5°
C8C17O2C18178.2°179.4°
C17C8C9N1142.2°150.5°
C17C8C7H2179.1°180.0°
C17C8C9H322.5°30.5°
O2C17C8C95.5°0.0°
C17O2C18N2177.5°180.0°
C10C9C8N1121.2°120.0°
C10C9C8H3119.0°120.0°
C10C9N1H3118.0°120.0°
C10C9N1C11150.9°89.8°
C10C9N1H128.9°89.9°
C9C10H14H15120.0°120.0°
C9C10H14H16120.0°120.0°
C9C10H15H16120.0°120.0°
C8C9N1H3119.3°120.0°
C8C9N1C1186.4°150.2°
C8C9N1H1151.6°30.1°
C9C8C7H23.4°0.1°
C8C9C10H14180.0°180.0°
C8C9C10H1560.0°60.0°
C8C9C10H1660.0°60.0°
O2C18N2C19177.1°34.5°
O2C18N2C2221.9°145.2°
O2C18C23H17179.0°179.9°
C18N2C19C22162.6°179.7°
C18N2C19C20139.8°129.2°
C18N2C22C21101.9°129.4°
N2C18C23H172.6°0.1°
C18N2C22H18138.0°110.9°
C18N2C22H1918.2°9.8°
C18N2C19H2419.9°9.5°
C18N2C19H25100.2°111.0°
C9N1C11H1122.0°179.7°
C9N1C11C120.5°179.8°
C9N1C11C16179.0°0.0°
N1C9C10H1457.6°60.0°
N1C9C10H15177.6°180.0°
N1C9C10H1662.4°60.0°
N2C19C20H24120.0°119.7°
N2C19C20H25120.0°119.7°
C19N2C22C2160.9°50.3°
N2C19C20O340.4°52.6°
C19N2C22H1859.2°69.4°
C19N2C22H19179.0°170.0°
N2C19C20H22160.7°172.3°
N2C19C20H2379.9°67.5°
N2C19H24H25120.1°120.5°
C20C19N2C2222.8°50.5°
C19C20O3H22120.3°119.4°
C19C20O3H23120.3°120.5°
C19C20O3C2168.4°63.1°
C19C20H22H23119.1°120.5°
C20C19H24H25120.0°120.6°
N2C22C21H18120.1°119.8°
N2C22C21H19120.1°119.7°
N2C22C21O333.8°52.3°
N2C22H18H19119.7°120.6°
N2C22C21H20154.2°67.6°
N2C22C21H2186.6°172.2°
C22N2C19H24142.7°170.3°
C22N2C19H2597.2°69.2°
N1C11C12C16179.5°179.8°
N1C11C12C13179.2°180.0°
N1C11C16C15179.3°179.7°
C11N1C9H332.9°30.2°
N1C11C12H120.8°0.1°
N1C11C16H130.7°0.3°
C22C21O3C2027.8°63.0°
C22C21O3H20120.4°119.9°
C22C21O3H21120.5°119.9°
C21C22H18H19119.6°120.4°
C22C21H20H21118.7°120.2°
C20O3C21H2092.6°57.0°
C20O3C21H21148.3°177.1°
O3C20H22H23119.1°120.2°
O3C20C19H2479.6°172.3°
O3C20C19H25160.4°67.1°
C11C12C13H12180.0°180.0°
C12C11C16C150.2°0.5°
C11C12C13F179.3°180.0°
C11C12C13C140.2°0.0°
C12C11N1H1122.5°0.1°
C12C11C16H13179.8°179.9°
C16C11C12C130.3°0.2°
C11C16C15H13180.0°179.5°
C11C16C15C140.0°0.5°
C11C16C15F1180.0°179.7°
C16C11N1H157.0°179.7°
C16C11C12H12179.7°179.7°
O3C21C22H1886.3°67.4°
O3C21C22H19153.9°172.0°
O3C21H20H21118.7°120.1°
C21O3C20H22171.3°177.5°
C21O3C20H2351.9°57.3°
C12C13FC14179.6°180.0°
C12C13C14C150.1°0.0°
C12C13C14H11179.9°179.9°
C16C15C14C130.1°0.3°
C16C15C14F1180.0°179.7°
C16C15C14H11179.9°179.8°
FC13C14C15179.5°180.0°
FC13C14H110.5°0.1°
FC13C12H120.7°0.0°
C13C14C15H11180.0°179.9°
C13C14C15F1180.0°180.0°
C14C13C12H12179.8°180.0°
C14C15C16H13180.0°180.0°
F1C15C14H110.0°0.1°
F1C15C16H130.0°0.3°
H1N1C9H389.1°150.1°
H3C9C10H1460.9°60.0°
H3C9C10H1559.1°60.0°
H3C9C10H16179.1°180.0°
H4C5H5H6120.0°120.0°
H7C6H8H9120.0°120.0°
H14C10H15H16120.0°120.0°
H18C22C21H2034.1°172.6°
H18C22C21H21153.3°52.4°
H19C22C21H2085.7°52.1°
H19C22C21H2133.5°68.1°
H22C20C19H2440.7°68.0°
H22C20C19H2579.3°52.6°
H23C20C19H24160.1°52.2°
H23C20C19H2540.1°172.8°

254917

PDB entries from 2026-06-10

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