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A1BV5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C2C3sing1.53Å1.53Å
C2C6sing1.53Å1.53Å
C3C4sing1.53Å1.53Å
C4C5sing1.53Å1.54Å
C5N1sing1.47Å1.48Å
C5C17sing1.51Å1.51Å
N1C6sing1.47Å1.47Å
N1C7sing1.35Å1.35Å
C7O1doub1.21Å1.22Å
C7C8sing1.49Å1.49Å
C8O2doub1.21Å1.22Å
C8N2sing1.35Å1.36Å
N2C9sing1.40Å1.41Å
C9C10doub1.39Å1.39ÅAromatic
C9C13sing1.40Å1.40ÅAromatic
C10N3sing1.32Å1.32ÅAromatic
N3C11doub1.32Å1.32ÅAromatic
C11N4sing1.39Å1.39Å
C11C12sing1.39Å1.39ÅAromatic
C12C13doub1.38Å1.39ÅAromatic
C12C14sing1.51Å1.50Å
C14C15sing1.53Å1.53Å
C14C16sing1.53Å1.53Å
C15C16sing1.53Å1.53Å
C17C18sing1.39Å1.39ÅAromatic
C17C23doub1.36Å1.36ÅAromatic
C18C19doub1.38Å1.38ÅAromatic
C19C20sing1.39Å1.39ÅAromatic
C20Ssing1.76Å1.76ÅAromatic
C20C22doub1.40Å1.40ÅAromatic
SC21sing1.71Å1.71ÅAromatic
C21N5doub1.28Å1.28ÅAromatic
N5C22sing1.35Å1.35ÅAromatic
C22C23sing1.41Å1.41ÅAromatic
C4H7sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
C5H9sing1.09Å1.10Å
C6H11sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C10H13sing1.08Å1.08Å
C13H16sing1.08Å1.08Å
C15H18sing1.09Å1.10Å
C15H19sing1.09Å1.10Å
C21H24sing1.08Å1.08Å
C1H3sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C16H21sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C18H22sing1.08Å1.08Å
C19H23sing1.08Å1.08Å
C2H4sing1.09Å1.10Å
C23H25sing1.08Å1.08Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
N2H12sing0.97Å1.00Å
N4H14sing0.97Å1.00Å
N4H15sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3110.5°109.5°
C1C2C6110.4°109.5°
C2C1H3109.5°109.4°
C2C1H1109.4°109.5°
C2C1H2109.5°109.4°
C1C2H4108.8°109.2°
C3C2C6109.3°109.3°
C2C3C4111.2°109.3°
C3C2H4108.9°109.5°
C2C3H5109.1°109.5°
C2C3H6109.1°109.4°
C2C6N1110.9°108.8°
C2C6H11109.1°109.6°
C2C6H10109.1°109.7°
C6C2H4108.9°109.8°
C3C4C5111.9°109.1°
C3C4H7108.8°109.3°
C3C4H8108.8°109.9°
C4C3H5109.0°109.9°
C4C3H6109.0°109.3°
C4C5N1109.8°108.8°
C4C5C17111.5°109.6°
C5C4H7108.9°109.5°
C5C4H8108.9°109.5°
C4C5H9107.7°109.6°
N1C5C17111.1°109.6°
C5N1C6119.8°118.8°
C5N1C7120.7°120.6°
N1C5H9108.5°109.6°
C5C17C18119.5°119.6°
C5C17C23120.1°119.6°
C17C5H9108.1°109.7°
C6N1C7119.5°120.7°
N1C6H11109.1°109.6°
N1C6H10109.1°109.6°
N1C7O1119.6°120.0°
N1C7C8120.6°119.9°
O1C7C8119.7°120.0°
C7C8O2117.2°120.1°
C7C8N2119.7°120.0°
O2C8N2123.1°120.0°
C8N2C9127.1°120.0°
C8N2H12116.4°120.0°
N2C9C10123.1°120.4°
N2C9C13119.3°120.4°
C9N2H12116.5°120.0°
C10C9C13117.6°119.1°
C9C10N3121.9°120.8°
C9C10H13119.1°119.6°
C9C13C12119.1°118.5°
C9C13H16120.5°120.7°
C10N3C11121.8°121.7°
N3C10H13119.1°119.6°
N3C11N4119.8°119.7°
N3C11C12120.2°120.7°
N4C11C12120.0°119.6°
C11N4H14109.5°120.0°
C11N4H15109.5°120.0°
C11C12C13119.5°119.2°
C11C12C14119.8°120.4°
C13C12C14120.8°120.4°
C12C13H16120.5°120.8°
C12C14C15117.0°117.5°
C12C14C16117.5°117.5°
C12C14H17117.0°115.5°
C15C14C1660.0°60.0°
C14C15C1660.0°60.0°
C14C15H18120.0°117.5°
C14C15H19120.0°117.6°
C15C14H17116.5°117.5°
C14C16C1560.0°60.0°
C16C14H17116.5°117.5°
C14C16H21120.0°117.5°
C14C16H20120.0°117.6°
C16C15H18120.0°117.5°
C16C15H19120.0°117.5°
C15C16H21120.0°117.5°
C15C16H20120.0°117.5°
C18C17C23120.4°120.8°
C17C18C19120.4°120.1°
C17C18H22119.8°120.0°
C17C23C22120.6°120.4°
C17C23H25119.7°119.8°
C18C19C20119.9°119.9°
C19C18H22119.8°119.9°
C18C19H23120.1°120.0°
C19C20S131.7°131.7°
C19C20C22120.2°120.3°
C20C19H23120.1°120.0°
SC20C22108.0°108.0°
C20SC2190.8°90.8°
C20C22N5111.8°111.8°
C20C22C23118.5°118.5°
SC21N5111.6°111.5°
SC21H24124.2°124.2°
C21N5C22117.8°117.9°
N5C21H24124.2°124.3°
N5C22C23129.7°129.7°
C22C23H25119.7°119.8°
H7C4H8109.5°109.5°
H11C6H10109.4°109.5°
H18C15H19109.5°115.6°
H3C1H1109.5°109.5°
H3C1H2109.5°109.5°
H1C1H2109.5°109.5°
H21C16H20109.4°115.5°
H5C3H6109.5°109.4°
H14N4H15109.5°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3C6121.7°120.0°
C1C2C3H4119.4°119.7°
C1C2C6H4119.4°119.9°
C1C2C3C463.4°178.3°
C1C2C6N168.6°174.6°
C1C2C6H1151.7°65.6°
C1C2C6H10171.2°54.7°
C2C1H3H1120.0°120.0°
C2C1H3H2120.0°120.0°
C2C1H1H2120.0°120.0°
C1C2C3H5176.4°61.3°
C1C2C3H656.9°58.6°
C3C2C6H4118.8°120.1°
C2C3C4H5120.3°120.1°
C2C3C4H6120.3°119.8°
C2C3C4C556.8°61.8°
C3C2C6N153.2°54.6°
C2C3C4H7177.2°178.5°
C2C3C4H863.6°58.2°
C3C2C6H11173.4°174.4°
C3C2C6H1067.1°65.3°
C3C2C1H3180.0°60.0°
C3C2C1H160.0°180.0°
C3C2C1H260.0°60.0°
C2C3H5H6119.3°119.9°
C6C2C3C458.3°61.7°
C2C6N1C550.6°53.4°
C2C6N1H11120.2°119.8°
C2C6N1H10120.2°120.0°
C2C6N1C7129.1°126.3°
C2C6H11H10119.3°120.4°
C6C2C1H359.0°179.8°
C6C2C1H161.0°60.2°
C6C2C1H2179.0°59.8°
C6C2C3H561.9°58.7°
C6C2C3H6178.6°178.6°
C3C4C5H7120.4°119.6°
C3C4C5H8120.4°120.3°
C3C4C5N148.3°55.0°
C3C4C5C1775.3°174.8°
C3C4H7H8118.9°120.5°
C3C4C5H9166.3°64.8°
C4C3C2H4177.2°58.6°
C4C3H5H6119.2°120.0°
C4C5N1C17123.8°119.8°
C4C5N1H9117.5°119.7°
C4C5C17H9118.2°120.3°
C4C5N1C647.3°53.6°
C4C5N1C7132.5°126.1°
C4C5C17C18157.0°48.8°
C4C5C17C2324.0°130.9°
C5C4H7H8118.9°120.1°
C5C4C3H563.5°58.3°
C5C4C3H6177.1°178.4°
N1C5C17H9118.9°120.3°
C5N1C6C7179.8°179.7°
C5N1C7O1179.8°6.9°
C5N1C7C80.7°173.1°
N1C5C17C1834.1°70.5°
N1C5C17C23146.9°109.8°
N1C5C4H7168.6°174.6°
N1C5C4H872.1°65.4°
C5N1C6H11170.9°173.2°
C5N1C6H1069.6°66.6°
C17C5N1C676.5°173.4°
C17C5N1C7103.7°6.3°
C5C17C18C23179.0°179.7°
C5C17C18C19179.7°180.0°
C5C17C23C22179.7°180.0°
C17C5C4H745.0°65.6°
C17C5C4H8164.3°54.5°
C5C17C18H220.3°0.0°
C5C17C23H250.2°0.0°
C6N1C7O10.4°172.8°
C6N1C7C8179.6°7.2°
C6N1C5H9164.8°66.2°
N1C6H11H10119.3°120.3°
N1C6C2H4172.0°65.5°
N1C7O1C8179.2°180.0°
N1C7C8O278.7°6.9°
N1C7C8N2101.1°173.1°
C7N1C5H915.0°114.1°
C7N1C6H118.9°6.5°
C7N1C6H10110.7°113.7°
O1C7C8O2100.5°173.1°
O1C7C8N279.7°6.8°
C7C8O2N2179.8°180.0°
C7C8N2C9179.9°173.9°
C7C8N2H120.1°6.2°
O2C8N2C90.3°6.2°
O2C8N2H12179.7°173.8°
C8N2C9H12180.0°179.9°
C8N2C9C103.6°151.4°
C8N2C9C13175.8°28.6°
N2C9C10C13179.4°180.0°
N2C9C10N3179.8°180.0°
N2C9C13C12179.8°180.0°
N2C9C10H130.2°0.0°
N2C9C13H160.2°0.1°
C9C10N3H13180.0°180.0°
C9C10N3C110.2°0.0°
C10C9C13C120.3°0.0°
C10C9C13H16179.7°180.0°
C10C9N2H12176.4°28.5°
C13C9C10N30.4°0.0°
C9C13C12C110.1°0.1°
C9C13C12H16180.0°179.9°
C9C13C12C14179.9°180.0°
C13C9C10H13179.6°180.0°
C13C9N2H124.2°151.5°
C10N3C11N4179.9°180.0°
C10N3C11C120.1°0.0°
N3C11N4C12179.8°180.0°
N3C11C12C130.1°0.0°
N3C11C12C14179.9°180.0°
C11N3C10H13179.8°180.0°
N3C11N4H140.0°0.0°
N3C11N4H15120.0°180.0°
N4C11C12C13179.9°180.0°
N4C11C12C140.1°0.0°
C11N4H14H15120.0°180.0°
C11C12C13C14180.0°179.9°
C11C12C14C15165.3°120.0°
C11C12C14C1696.8°171.3°
C11C12C13H16179.9°180.0°
C11C12C14H1749.3°25.7°
C12C11N4H14179.8°180.0°
C12C11N4H1559.8°0.0°
C13C12C14C1514.7°60.1°
C13C12C14C1683.2°8.6°
C13C12C14H17130.7°154.3°
C12C14C15C16107.7°107.5°
C12C14C15H17145.5°145.0°
C12C14C16H17146.4°145.0°
C14C12C13H160.1°0.1°
C12C14C15H181.8°0.0°
C12C14C15H19142.8°145.0°
C12C14C16H21143.7°0.0°
C12C14C16H202.6°145.0°
C15C14C16H17106.8°107.5°
C14C15C16H18109.5°107.4°
C14C15C16H19109.5°107.6°
C14C15H18H19144.7°145.7°
C15C14C16H21109.5°107.5°
C15C14C16H20109.5°107.5°
C14C16H21H20144.7°145.7°
C16C15H18H19144.7°145.6°
C15C16H21H20144.8°145.7°
C17C18C19H22180.0°180.0°
C17C18C19C200.3°0.1°
C18C17C23C220.7°0.3°
C18C17C5H984.9°169.1°
C17C18C19H23179.6°180.0°
C18C17C23H25179.3°179.7°
C23C17C18C190.7°0.3°
C17C23C22C200.4°0.0°
C17C23C22N5179.7°179.9°
C17C23C22H25180.0°180.0°
C23C17C5H994.2°10.6°
C23C17C18H22179.3°179.7°
C18C19C20H23180.0°179.9°
C18C19C20S179.9°180.0°
C18C19C20C220.0°0.2°
C19C20SC22179.9°179.8°
C19C20SC21180.0°179.8°
C19C20C22N5180.0°179.8°
C19C20C22C230.0°0.2°
C20C19C18H22179.7°180.0°
C20SC21N50.1°0.0°
SC20C22N50.0°0.0°
SC20C22C23179.9°179.9°
C20SC21H24179.9°179.9°
SC20C19H230.1°0.1°
C22C20SC210.1°0.0°
C20C22N5C210.0°0.0°
C20C22N5C23179.9°179.9°
C22C20C19H23180.0°179.7°
C20C22C23H25179.6°180.0°
SC21N5H24180.0°179.9°
SC21N5C220.1°0.1°
C21N5C22C23180.0°180.0°
C22N5C21H24179.9°179.9°
N5C22C23H250.3°0.1°
H7C4C5H973.4°54.8°
H7C4C3H556.9°61.4°
H7C4C3H662.6°58.7°
H8C4C5H945.9°174.9°
H8C4C3H5176.1°178.4°
H8C4C3H656.7°61.6°
H11C6C2H467.8°54.3°
H10C6C2H451.8°174.6°
H18C15C14H17143.8°145.0°
H18C15C16H21141.0°0.0°
H18C15C16H200.0°145.0°
H19C15C14H172.8°0.0°
H19C15C16H210.0°145.0°
H19C15C16H20141.1°0.0°
H3C1H1H2120.0°120.0°
H3C1C2H460.5°59.9°
H1C1C2H4179.5°60.1°
H2C1C2H459.5°179.9°
H17C14C16H212.7°145.1°
H17C14C16H20143.7°0.0°
H22C18C19H230.3°0.0°
H4C2C3H556.9°179.0°
H4C2C3H662.6°61.1°

251801

PDB entries from 2026-04-08

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