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A1A5V

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20C19sing1.51Å1.52Å
C19C18doub1.33Å1.47ÅAromatic
C19N21sing1.38Å1.37ÅAromatic
C18N17sing1.39Å1.36ÅAromatic
N21C22sing1.47Å1.46Å
N21C25sing1.38Å1.34ÅAromatic
N17C25sing1.36Å1.25ÅAromatic
N17N16sing1.40Å1.35ÅAromatic
C22C23sing1.53Å1.54Å
C22C24sing1.53Å1.54Å
C25C26doub1.38Å1.33ÅAromatic
N16C15doub1.32Å1.44ÅAromatic
C26C15sing1.40Å1.48ÅAromatic
C15N14sing1.40Å1.41Å
N14C13sing1.39Å1.41Å
C13N27doub1.33Å1.34ÅAromatic
C13C12sing1.40Å1.39ÅAromatic
N27C9sing1.33Å1.33ÅAromatic
C5C4sing1.53Å1.53Å
C5N6sing1.47Å1.48Å
C12C11doub1.38Å1.39ÅAromatic
C4C3sing1.53Å1.52Å
C9N6sing1.38Å1.40Å
C9N10doub1.32Å1.34ÅAromatic
N6C7sing1.47Å1.48Å
C11N10sing1.33Å1.34ÅAromatic
C3O2sing1.43Å1.43Å
C3C8sing1.53Å1.53Å
C1O2sing1.43Å1.42Å
C7C8sing1.53Å1.54Å
C1H1_1sing1.09Å1.10Å
C1H1_3sing1.09Å1.10Å
C1H1_2sing1.09Å1.10Å
C3HC3sing1.09Å1.10Å
C4H4_2sing1.09Å1.10Å
C4H4_1sing1.09Å1.10Å
C5H5_1sing1.09Å1.10Å
C5H5_2sing1.09Å1.10Å
C7H7_1sing1.09Å1.10Å
C7H7_2sing1.09Å1.10Å
C8H8_1sing1.09Å1.10Å
C8H8_2sing1.09Å1.10Å
C11HC11sing1.08Å1.08Å
C12HC12sing1.08Å1.08Å
C18HC18sing1.08Å1.08Å
C23H232sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H233sing1.09Å1.10Å
C24H243sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C24H241sing1.09Å1.10Å
N14HN14sing0.97Å1.00Å
C20H203sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C22HC22sing1.09Å1.10Å
C26HC26sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C20C19C18120.7°125.8°
C20C19N21134.1°125.8°
C19C20H203109.5°109.5°
C19C20H202109.5°109.5°
C19C20H201109.5°109.5°
C18C19N21105.2°108.4°
C19C18N17104.2°108.7°
C19C18HC18127.9°125.7°
C19N21C22126.2°126.2°
C19N21C25106.9°107.6°
C18N17C25110.8°107.8°
C18N17N16130.6°144.3°
N17C18HC18127.9°125.7°
C22N21C25126.9°126.2°
N21C22C23111.7°109.5°
N21C22C24111.9°109.5°
N21C22HC22107.2°109.5°
N21C25N17112.9°107.5°
N21C25C26132.5°145.1°
C25N17N16118.6°107.8°
N17C25C26114.5°107.4°
N17N16C1595.7°108.7°
C23C22C24113.1°109.5°
C22C23H232109.5°109.5°
C22C23H231109.5°109.5°
C22C23H233109.4°109.5°
C23C22HC22106.2°109.4°
C22C24H243109.5°109.5°
C22C24H242109.4°109.4°
C22C24H241109.4°109.5°
C24C22HC22106.3°109.5°
C25C26C1597.5°107.6°
C25C26HC26131.2°126.2°
N16C15C26113.6°108.4°
N16C15N14121.5°125.8°
C26C15N14124.8°125.7°
C15C26HC26131.2°126.2°
C15N14C13126.6°120.0°
C15N14HN14116.7°119.9°
N14C13N27118.6°120.4°
N14C13C12119.9°120.5°
C13N14HN14116.7°120.0°
N27C13C12121.6°119.1°
C13N27C9116.0°120.6°
C13C12C11117.2°118.5°
C13C12HC12121.4°120.8°
N27C9N6116.0°119.1°
N27C9N10127.7°121.7°
C4C5N6115.0°109.5°
C5C4C3108.7°109.3°
C5C4H4_2109.6°109.5°
C5C4H4_1109.6°109.6°
C4C5H5_1108.1°109.5°
C4C5H5_2108.1°109.4°
C5N6C9117.8°111.0°
C5N6C7118.9°111.2°
N6C5H5_1108.1°109.5°
N6C5H5_2108.1°109.5°
C12C11N10122.3°119.3°
C12C11HC11118.8°120.3°
C11C12HC12121.4°120.7°
C4C3O2114.8°109.6°
C4C3C8107.5°109.1°
C4C3HC3105.9°109.6°
C3C4H4_2109.6°109.5°
C3C4H4_1109.7°109.5°
N6C9N10116.3°119.2°
C9N6C7117.8°111.1°
C9N10C11114.9°120.9°
N6C7C8115.3°109.5°
N6C7H7_1108.0°109.5°
N6C7H7_2108.0°109.4°
N10C11HC11118.8°120.4°
O2C3C8115.0°109.5°
C3O2C1117.0°114.0°
O2C3HC3107.0°109.5°
C3C8C7110.4°109.3°
C8C3HC3105.8°109.5°
C3C8H8_1109.3°109.5°
C3C8H8_2109.2°109.5°
O2C1H1_1109.5°109.5°
O2C1H1_3109.4°109.5°
O2C1H1_2109.5°109.5°
C8C7H7_1108.0°109.5°
C8C7H7_2108.0°109.5°
C7C8H8_1109.2°109.5°
C7C8H8_2109.2°109.5°
H1_1C1H1_3109.4°109.5°
H1_1C1H1_2109.5°109.4°
H1_3C1H1_2109.5°109.5°
H4_2C4H4_1109.5°109.5°
H5_1C5H5_2109.5°109.5°
H7_1C7H7_2109.5°109.5°
H8_1C8H8_2109.5°109.5°
H232C23H231109.5°109.4°
H232C23H233109.4°109.4°
H231C23H233109.5°109.4°
H243C24H242109.5°109.5°
H243C24H241109.5°109.5°
H242C24H241109.5°109.5°
H203C20H202109.4°109.4°
H203C20H201109.5°109.5°
H202C20H201109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C20C19C18N21179.5°180.0°
C20C19C18N17179.2°180.0°
C20C19N21C220.3°0.1°
C20C19N21C25178.9°180.0°
C20C19C18HC180.8°0.1°
C19C20H203H202120.0°120.0°
C19C20H203H201120.0°120.0°
C19C20H202H201120.0°120.0°
C19C18N17HC18180.0°180.0°
C18C19N21C22179.7°180.0°
C18C19N21C250.5°0.0°
C19C18N17C250.0°0.0°
C19C18N17N16179.1°179.9°
C18C19C20H20389.8°0.0°
C18C19C20H202150.3°120.0°
C18C19C20H20130.3°120.0°
N21C19C18N170.3°0.0°
C19N21C22C25179.0°180.0°
C19N21C25N170.5°0.0°
C19N21C22C23115.3°60.1°
C19N21C22C24116.8°59.9°
C19N21C25C26178.2°179.5°
N21C19C18HC18179.7°180.0°
N21C19C20H20389.6°180.0°
N21C19C20H20230.4°60.0°
N21C19C20H201150.4°60.0°
C19N21C22HC220.7°180.0°
C18N17C25N210.3°0.0°
C18N17C25N16179.3°179.9°
C18N17C25C26178.7°179.7°
C18N17N16C15177.4°179.9°
C22N21C25N17179.7°180.0°
N21C22C23C24127.3°120.0°
N21C22C23HC22116.5°120.0°
N21C22C24HC22116.6°120.0°
C22N21C25C261.0°0.4°
N21C22C23H232180.0°60.0°
N21C22C23H23160.0°180.0°
N21C22C23H23360.0°60.0°
N21C22C24H243180.0°60.0°
N21C22C24H24260.0°60.0°
N21C22C24H24160.0°180.0°
N21C25N17C26178.9°179.7°
N21C25N17N16179.6°179.9°
C25N21C22C2363.8°120.0°
C25N21C22C2464.1°120.0°
N21C25C26C15177.8°179.9°
C25N21C22HC22179.7°0.0°
N21C25C26HC262.2°0.5°
C25N17N16C151.7°0.1°
N17C25C26C150.8°0.4°
C25N17C18HC18180.0°180.0°
N17C25C26HC26179.1°180.0°
N16N17C25C260.6°0.2°
N17N16C15C262.2°0.3°
N17N16C15N14175.1°180.0°
N16N17C18HC180.9°0.1°
C23C22C24HC22116.2°119.9°
C22C23H232H231120.0°120.0°
C22C23H232H233120.0°120.1°
C22C23H231H233120.0°120.1°
C23C22C24H24352.8°60.1°
C23C22C24H24267.2°180.0°
C23C22C24H241172.8°60.0°
C24C22C23H23252.7°60.0°
C24C22C23H231172.7°60.0°
C24C22C23H23367.3°180.0°
C22C24H243H242120.0°120.0°
C22C24H243H241120.0°120.0°
C22C24H242H241120.0°120.0°
C25C26C15N162.0°0.4°
C25C26C15HC26180.0°179.6°
C25C26C15N14175.2°179.9°
N16C15C26N14177.2°179.7°
N16C15N14C13173.3°174.9°
N16C15N14HN146.7°5.2°
N16C15C26HC26178.0°180.0°
C26C15N14C133.7°5.5°
C26C15N14HN14176.3°174.5°
C15N14C13HN14180.0°180.0°
C15N14C13N2715.7°5.6°
C15N14C13C12163.8°174.5°
N14C15C26HC264.8°0.3°
N14C13N27C12179.4°179.9°
N14C13N27C9179.5°180.0°
N14C13C12C11178.1°180.0°
N14C13C12HC121.9°0.1°
N27C13C12C111.4°0.0°
C13N27C9N6172.9°180.0°
C13N27C9N105.5°0.0°
N27C13C12HC12178.7°180.0°
N27C13N14HN14164.3°174.4°
C12C13N27C91.1°0.1°
C13C12C11HC12180.0°179.9°
C13C12C11N100.0°0.0°
C13C12C11HC11180.0°179.9°
C12C13N14HN1416.2°5.5°
N27C9N6C57.8°180.0°
N27C9N6N10178.6°180.0°
N27C9N6C7161.3°55.8°
N27C9N10C116.7°0.0°
C4C5N6H5_1120.8°120.0°
C4C5N6H5_2120.8°120.0°
C5C4C3H4_2119.9°120.0°
C5C4C3H4_1119.9°120.0°
C4C5N6C9173.5°174.1°
C4C5N6C733.3°61.7°
C5C4C3O2165.4°177.6°
C5C4C3C865.3°57.6°
C5C4C3HC347.5°62.2°
C5C4H4_2H4_1120.3°120.1°
C4C5H5_1H5_2117.5°119.9°
N6C5C4C350.7°59.2°
C5N6C9C7153.5°124.2°
C5N6C9N10170.8°0.1°
C5N6C7C830.0°61.8°
N6C5C4H4_2170.6°60.8°
N6C5C4H4_169.2°179.1°
N6C5H5_1H5_2117.5°120.0°
C5N6C7H7_1150.8°58.3°
C5N6C7H7_290.9°178.3°
C12C11N10C93.6°0.0°
C12C11N10HC11180.0°179.9°
C4C3O2C8125.6°119.7°
C4C3O2HC3117.2°120.3°
C4C3C8HC3112.8°119.9°
C4C3O2C162.7°90.3°
C4C3C8C762.5°57.6°
C3C4H4_2H4_1120.4°120.0°
C3C4C5H5_1171.5°179.2°
C3C4C5H5_270.1°60.8°
C4C3C8H8_1177.3°177.6°
C4C3C8H8_257.6°62.4°
N6C9N10C11171.7°180.0°
C9N6C7C8176.8°174.2°
C9N6C5H5_152.6°54.1°
C9N6C5H5_265.7°65.9°
C9N6C7H7_155.9°65.8°
C9N6C7H7_262.4°54.2°
N10C9N6C717.3°124.1°
C9N10C11HC11176.4°179.9°
N6C7C8C344.4°59.2°
N6C7C8H7_1120.9°120.1°
N6C7C8H7_2120.8°120.0°
C7N6C5H5_1154.1°178.2°
C7N6C5H5_287.5°58.3°
N6C7H7_1H7_2117.4°119.9°
N6C7C8H8_1164.6°179.2°
N6C7C8H8_275.7°60.8°
N10C11C12HC12180.0°179.9°
O2C3C8HC3117.9°120.1°
O2C3C8C7168.2°177.6°
C3O2C1H1_1180.0°60.0°
C3O2C1H1_360.0°60.0°
C3O2C1H1_260.0°180.0°
O2C3C4H4_245.5°57.6°
O2C3C4H4_174.8°62.4°
O2C3C8H8_148.1°62.5°
O2C3C8H8_271.7°57.6°
C8C3O2C162.9°150.0°
C3C8C7H8_1120.2°119.9°
C3C8C7H8_2120.1°120.0°
C8C3C4H4_2174.9°62.3°
C8C3C4H4_154.6°177.6°
C3C8C7H7_1165.3°60.9°
C3C8C7H7_276.4°179.2°
C3C8H8_1H8_2119.6°120.1°
O2C1H1_1H1_3120.0°120.0°
O2C1H1_1H1_2120.0°120.0°
O2C1H1_3H1_2120.0°120.0°
C1O2C3HC3179.9°29.9°
C7C8C3HC350.3°62.3°
C8C7H7_1H7_2117.4°120.0°
C7C8H8_1H8_2119.6°120.1°
H1_1C1H1_3H1_2120.0°120.0°
HC3C3C4H4_272.4°177.8°
HC3C3C4H4_1167.4°57.8°
HC3C3C8H8_169.8°57.6°
HC3C3C8H8_2170.5°177.7°
H4_2C4C5H5_168.6°59.3°
H4_2C4C5H5_249.8°179.2°
H4_1C4C5H5_151.6°60.8°
H4_1C4C5H5_2170.0°59.1°
H7_1C7C8H8_174.5°59.1°
H7_1C7C8H8_245.2°179.1°
H7_2C7C8H8_143.8°60.9°
H7_2C7C8H8_2163.5°59.2°
HC11C11C12HC120.0°0.0°
H232C23H231H233120.0°119.9°
H232C23C22HC2263.5°180.0°
H231C23C22HC2256.6°60.0°
H233C23C22HC22176.5°60.0°
H243C24H242H241120.0°120.0°
H243C24C22HC2263.4°180.0°
H242C24C22HC22176.6°60.0°
H241C24C22HC2256.6°60.0°
H203C20H202H201120.0°120.0°

248335

PDB entries from 2026-01-28

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