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VVS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.38Å1.40ÅAromatic
C1C3doub1.39Å1.40ÅAromatic
C1C4sing1.51Å1.51Å
C2C5doub1.38Å1.40ÅAromatic
C3C6sing1.39Å1.40ÅAromatic
C3O7sing1.36Å1.36Å
C4N8sing1.47Å1.47Å
C5C9sing1.38Å1.40ÅAromatic
C5C10sing1.51Å1.54Å
C6C9doub1.38Å1.39ÅAromatic
C6C11sing1.51Å1.51Å
N8C12sing1.37Å1.37ÅAromatic
N8C13sing1.35Å1.35ÅAromatic
C10C14sing1.53Å1.60Å
C10C15sing1.53Å1.54Å
C10C16sing1.53Å1.54Å
C11N17sing1.46Å1.47Å
C12C18doub1.35Å1.35ÅAromatic
C13N19doub1.31Å1.31ÅAromatic
C14C20sing1.53Å1.56Å
N17C21sing1.37Å1.37ÅAromatic
N17C22sing1.35Å1.35ÅAromatic
C18N19sing1.34Å1.37ÅAromatic
C20C23sing1.53Å1.52Å
C20C24sing1.53Å1.52Å
C20C25sing1.53Å1.52Å
C21C26doub1.35Å1.35ÅAromatic
C22N27doub1.31Å1.31ÅAromatic
C26N27sing1.34Å1.37ÅAromatic
C2H2sing1.08Å1.08Å
C4H41Csing1.09Å1.10Å
C4H42Csing1.09Å1.10Å
O7H7sing0.97Å0.95Å
C9H9sing1.08Å1.08Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C12H12sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C15H153sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C16H163sing1.09Å1.10Å
C18H18sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C23H233sing1.09Å1.10Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C24H243sing1.09Å1.10Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C25H253sing1.09Å1.10Å
C26H26sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C3118.2°120.0°
C2C1C4120.7°120.0°
C1C2C5122.6°120.0°
C1C2H2118.7°120.0°
C3C1C4120.7°120.0°
C1C3C6121.0°119.9°
C1C3O7120.0°120.1°
C1C4N8113.7°109.5°
C1C4H41C108.4°109.5°
C1C4H42C108.4°109.4°
C2C5C9117.2°120.1°
C2C5C10121.7°119.9°
C5C2H2118.7°120.0°
C6C3O7119.0°120.1°
C3C6C9118.3°120.0°
C3C6C11120.2°120.0°
C3O7H7109.5°114.0°
C4N8C12126.8°126.4°
C4N8C13126.7°126.4°
N8C4H41C108.4°109.5°
N8C4H42C108.4°109.5°
C9C5C10121.1°120.0°
C5C9C6122.7°120.0°
C5C9H9118.7°120.0°
C5C10C14113.0°109.5°
C5C10C15112.0°109.5°
C5C10C16110.6°109.5°
C9C6C11121.5°120.0°
C6C9H9118.7°120.0°
C6C11N17114.1°109.5°
C6C11H111108.3°109.5°
C6C11H112108.3°109.5°
C12N8C13106.4°107.3°
N8C12C18105.9°106.8°
N8C12H12127.0°126.6°
N8C13N19112.5°108.7°
N8C13H13123.8°125.7°
C14C10C15109.2°109.5°
C14C10C16105.4°109.5°
C10C14C20131.6°109.5°
C10C14H141103.7°109.5°
C10C14H142103.7°109.5°
C15C10C16106.3°109.5°
C10C15H151109.5°109.5°
C10C15H152109.5°109.5°
C10C15H153109.5°109.5°
C10C16H161109.5°109.5°
C10C16H162109.5°109.5°
C10C16H163109.5°109.5°
C11N17C21126.7°126.4°
C11N17C22126.7°126.4°
N17C11H111108.3°109.5°
N17C11H112108.3°109.5°
C12C18N19110.6°108.0°
C18C12H12127.0°126.5°
C12C18H18124.7°126.0°
C13N19C18104.5°109.3°
N19C13H13123.8°125.6°
C14C20C23113.3°109.5°
C14C20C24113.0°109.4°
C14C20C25104.9°109.5°
C20C14H141103.7°109.5°
C20C14H142103.7°109.4°
C21N17C22106.5°107.2°
N17C21C26106.0°106.8°
N17C21H21127.0°126.6°
N17C22N27112.4°108.7°
N17C22H22123.8°125.6°
N19C18H18124.7°126.0°
C23C20C24108.3°109.5°
C23C20C25108.7°109.5°
C20C23H231109.5°109.5°
C20C23H232109.4°109.4°
C20C23H233109.4°109.4°
C24C20C25108.5°109.5°
C20C24H241109.5°109.4°
C20C24H242109.4°109.4°
C20C24H243109.5°109.5°
C20C25H251109.5°109.4°
C20C25H252109.5°109.5°
C20C25H253109.5°109.5°
C21C26N27110.5°108.1°
C26C21H21127.0°126.6°
C21C26H26124.7°126.0°
C22N27C26104.6°109.2°
N27C22H22123.8°125.7°
N27C26H26124.7°126.0°
H41CC4H42C109.5°109.5°
H111C11H112109.5°109.4°
H141C14H142109.5°109.4°
H151C15H152109.5°109.5°
H151C15H153109.4°109.4°
H152C15H153109.5°109.5°
H161C16H162109.5°109.5°
H161C16H163109.4°109.4°
H162C16H163109.5°109.5°
H231C23H232109.5°109.5°
H231C23H233109.5°109.5°
H232C23H233109.5°109.6°
H241C24H242109.5°109.5°
H241C24H243109.4°109.5°
H242C24H243109.5°109.5°
H251C25H252109.5°109.5°
H251C25H253109.5°109.5°
H252C25H253109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C3C4173.1°179.7°
C1C2C5H2180.0°180.0°
C2C1C3C62.3°0.0°
C2C1C3O7176.3°180.0°
C2C1C4N8109.1°100.0°
C1C2C5C92.6°0.1°
C1C2C5C10179.8°180.0°
C2C1C4H41C11.5°140.0°
C2C1C4H42C130.2°20.0°
C3C1C2C53.9°0.0°
C1C3C6O7178.7°180.0°
C3C1C4N877.9°80.3°
C1C3C6C90.5°0.0°
C1C3C6C11179.7°180.0°
C3C1C2H2176.1°180.0°
C3C1C4H41C161.5°39.7°
C3C1C4H42C42.7°159.7°
C1C3O7H7180.0°90.0°
C4C1C2C5177.0°179.7°
C4C1C3C6175.4°179.7°
C4C1C3O73.2°0.3°
C1C4N8H41C120.6°120.0°
C1C4N8H42C120.6°120.0°
C1C4N8C1286.6°90.0°
C1C4N8C1396.8°90.3°
C4C1C2H23.0°0.3°
C1C4H41CH42C118.1°120.0°
C2C5C9C10177.3°179.9°
C2C5C9C60.4°0.1°
C2C5C10C14119.5°180.0°
C2C5C10C154.2°60.0°
C2C5C10C16122.6°60.0°
C2C5C9H9179.6°179.9°
C3C6C9C51.9°0.1°
C3C6C9C11179.3°180.0°
C3C6C11N17175.2°80.0°
C6C3O7H71.3°90.0°
C3C6C9H9178.1°180.0°
C3C6C11H11164.1°40.0°
C3C6C11H11254.6°160.0°
O7C3C6C9179.1°180.0°
O7C3C6C111.6°0.0°
C4N8C12C13177.2°179.8°
C4N8C12C18178.3°180.0°
C4N8C13N19178.4°180.0°
N8C4H41CH42C118.1°120.0°
C4N8C12H121.7°0.0°
C4N8C13H131.6°0.0°
C5C9C6H9180.0°180.0°
C5C9C6C11178.8°179.9°
C9C5C10C1457.7°0.1°
C9C5C10C15178.6°119.9°
C9C5C10C1660.2°120.0°
C9C5C2H2177.5°179.9°
C10C5C9C6176.9°180.0°
C5C10C14C15125.3°120.0°
C5C10C14C16120.9°120.0°
C5C10C15C16120.9°120.0°
C5C10C14C2059.1°163.6°
C10C5C2H20.2°0.0°
C10C5C9H93.1°0.0°
C5C10C14H141178.1°76.3°
C5C10C14H14263.7°43.6°
C5C10C15H151180.0°57.4°
C5C10C15H15260.0°177.5°
C5C10C15H15360.0°62.5°
C5C10C16H161180.0°69.0°
C5C10C16H16260.0°171.0°
C5C10C16H16360.0°51.0°
C9C6C11N175.5°100.0°
C9C6C11H111115.2°140.0°
C9C6C11H112126.2°20.0°
C6C11N17H111120.7°120.0°
C6C11N17H112120.7°120.0°
C6C11N17C2199.1°90.0°
C6C11N17C2283.4°90.3°
C11C6C9H91.1°0.0°
C6C11H111H112117.9°120.0°
N8C12C18H12180.0°180.0°
C12N8C13N191.3°0.2°
N8C12C18N190.7°0.2°
C12N8C4H41C34.0°30.0°
C12N8C4H42C152.8°150.0°
C12N8C13H13178.7°179.7°
N8C12C18H18179.3°180.0°
C13N8C12C181.2°0.2°
N8C13N19H13180.0°179.9°
N8C13N19C180.8°0.1°
C13N8C4H41C142.6°149.7°
C13N8C4H42C23.8°29.7°
C13N8C12H12178.8°179.8°
C14C10C15C16113.3°120.0°
C10C14C20H141122.8°120.1°
C10C14C20H142122.9°120.0°
C10C14C20C2338.6°43.4°
C10C14C20C2485.1°163.3°
C10C14C20C25156.9°76.7°
C10C14H141H142110.1°120.0°
C14C10C15H15154.2°177.4°
C14C10C15H15265.8°62.5°
C14C10C15H153174.2°57.5°
C14C10C16H16157.6°51.0°
C14C10C16H162177.6°69.0°
C14C10C16H16362.4°171.0°
C15C10C14C2066.1°43.6°
C15C10C14H14156.7°163.6°
C15C10C14H142171.0°76.4°
C10C15H151H152120.0°120.1°
C10C15H151H153120.0°120.0°
C10C15H152H153120.0°120.0°
C15C10C16H16158.3°171.0°
C15C10C16H16261.8°51.0°
C15C10C16H163178.2°69.0°
C16C10C14C20180.0°76.4°
C16C10C14H14157.2°43.6°
C16C10C14H14257.2°163.6°
C16C10C15H15159.1°62.6°
C16C10C15H152179.1°57.5°
C16C10C15H15360.9°177.5°
C10C16H161H162120.0°120.0°
C10C16H161H163120.0°120.0°
C10C16H162H163120.0°120.0°
C11N17C21C22177.9°179.7°
C11N17C21C26179.6°180.0°
C11N17C22N27179.8°180.0°
N17C11H111H112117.9°120.0°
C11N17C21H210.3°0.0°
C11N17C22H220.2°0.1°
C12C18N19C130.0°0.0°
C12C18N19H18180.0°179.8°
C13N19C18H18180.0°179.8°
C14C20C23C24126.2°119.9°
C14C20C23C25116.1°120.0°
C14C20C24C25115.9°120.0°
C20C14H141H142110.1°120.0°
C14C20C23H231180.0°57.4°
C14C20C23H23260.0°177.4°
C14C20C23H23360.0°62.5°
C14C20C24H241180.0°60.0°
C14C20C24H24260.0°180.0°
C14C20C24H24360.0°60.0°
C14C20C25H251180.0°69.0°
C14C20C25H25260.0°171.0°
C14C20C25H25360.0°50.9°
N17C21C26H21180.0°180.0°
C21N17C22N271.9°0.2°
N17C21C26N271.1°0.2°
C21N17C11H11121.5°30.0°
C21N17C11H112140.2°150.0°
C21N17C22H22178.1°179.8°
N17C21C26H26178.9°180.0°
C22N17C21C261.7°0.2°
N17C22N27H22180.0°180.0°
N17C22N27C261.2°0.1°
C22N17C11H111155.9°149.7°
C22N17C11H11237.3°29.7°
C22N17C21H21178.2°179.7°
N19C18C12H12179.3°179.8°
C18N19C13H13179.2°179.8°
C23C20C24C25117.8°120.0°
C23C20C14H141161.4°76.7°
C23C20C14H14284.3°163.3°
C20C23H231H232120.0°120.0°
C20C23H231H233120.0°119.9°
C20C23H232H233120.0°120.0°
C23C20C24H24153.7°180.0°
C23C20C24H24266.3°60.1°
C23C20C24H243173.6°60.0°
C23C20C25H25158.6°51.0°
C23C20C25H252178.6°69.0°
C23C20C25H25361.4°170.9°
C24C20C14H14137.7°43.3°
C24C20C14H142152.1°76.7°
C24C20C23H23153.8°62.5°
C24C20C23H232173.8°57.5°
C24C20C23H23366.2°177.5°
C20C24H241H242120.0°119.9°
C20C24H241H243120.0°120.0°
C20C24H242H243120.0°120.0°
C24C20C25H25159.0°171.0°
C24C20C25H25261.0°51.0°
C24C20C25H253179.0°69.1°
C25C20C14H14180.3°163.3°
C25C20C14H14234.1°43.3°
C25C20C23H23163.9°177.5°
C25C20C23H23256.1°62.5°
C25C20C23H233176.1°57.5°
C25C20C24H24164.1°60.0°
C25C20C24H242175.9°60.0°
C25C20C24H24355.8°180.0°
C20C25H251H252120.0°120.0°
C20C25H251H253120.0°120.0°
C20C25H252H253120.0°120.0°
C21C26N27C220.0°0.0°
C21C26N27H26180.0°179.9°
C22N27C26H26180.0°179.9°
N27C26C21H21178.9°179.8°
C26N27C22H22178.8°179.9°
H12C12C18H180.7°0.0°
H151C15H152H153120.0°119.9°
H161C16H162H163120.0°119.9°
H21C21C26H261.1°0.1°
H231C23H232H233120.0°120.1°
H241C24H242H243119.9°120.1°
H251C25H252H253120.0°120.0°

227344

PDB entries from 2024-11-13

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