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A1BE2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C4doub1.21Å1.23Å
C3C2sing1.53Å1.54Å
C4C2sing1.51Å1.55Å
C4N1sing1.35Å1.35Å
C2C1sing1.53Å1.54Å
C2C18sing1.51Å1.54Å
C9N1sing1.47Å1.46Å
C9C8sing1.53Å1.52Å
N1C5sing1.47Å1.47Å
C8C7sing1.53Å1.51Å
C18C23doub1.38Å1.39ÅAromatic
C18C19sing1.38Å1.39ÅAromatic
C23C22sing1.38Å1.38ÅAromatic
C5C6sing1.53Å1.52Å
C19C20doub1.38Å1.38ÅAromatic
C7C6sing1.53Å1.52Å
C7N2sing1.46Å1.46Å
C22C21doub1.38Å1.37ÅAromatic
C20C21sing1.38Å1.37ÅAromatic
N2C10sing1.37Å1.35Å
C21CL1sing1.74Å1.74Å
N4C10sing1.36Å1.37Å
N4C17sing1.35Å1.38Å
C10N3doub1.31Å1.32Å
O2C17doub1.22Å1.25Å
C17C12sing1.41Å1.39Å
N3C11sing1.34Å1.35Å
C12C11doub1.36Å1.40Å
C12C13sing1.50Å1.51Å
C11C16sing1.51Å1.50Å
C13C14sing1.53Å1.51Å
C16C15sing1.53Å1.52Å
C14C15sing1.53Å1.51Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C13H5sing1.09Å1.10Å
C14H6sing1.09Å1.10Å
C14H7sing1.09Å1.10Å
C15H8sing1.09Å1.10Å
C15H9sing1.09Å1.10Å
C16H10sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C19H12sing1.08Å1.08Å
C20H13sing1.08Å1.08Å
C22H14sing1.08Å1.08Å
C23H15sing1.08Å1.08Å
C3H16sing1.09Å1.10Å
C3H17sing1.09Å1.10Å
C3H18sing1.09Å1.10Å
C5H19sing1.09Å1.10Å
C5H20sing1.09Å1.10Å
C6H21sing1.09Å1.10Å
C6H22sing1.09Å1.10Å
C7H23sing1.09Å1.10Å
C8H24sing1.09Å1.10Å
C8H25sing1.09Å1.10Å
C9H26sing1.09Å1.10Å
C9H27sing1.09Å1.10Å
N2H28sing0.97Å1.00Å
N4H29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C4C2119.2°120.0°
O1C4N1121.3°120.0°
C3C2C4106.7°109.5°
C3C2C1108.0°109.5°
C3C2C18110.3°109.5°
C2C3H16109.5°109.5°
C2C3H17109.5°109.5°
C2C3H18109.4°109.5°
C2C4N1119.4°120.0°
C4C2C1106.7°109.5°
C4C2C18114.6°109.5°
C4N1C9119.9°120.7°
C4N1C5127.1°120.6°
C1C2C18110.3°109.4°
C2C1H1109.5°109.5°
C2C1H2109.5°109.4°
C2C1H3109.5°109.5°
C2C18C23121.5°120.0°
C2C18C19121.0°120.0°
N1C9C8110.2°108.8°
C9N1C5113.0°118.7°
N1C9H26109.3°109.5°
N1C9H27109.3°109.6°
C9C8C7110.2°109.4°
C9C8H24109.3°109.5°
C9C8H25109.3°109.6°
C8C9H26109.3°109.6°
C8C9H27109.3°109.6°
N1C5C6110.3°108.8°
N1C5H19109.3°109.6°
N1C5H20109.2°109.7°
C8C7C6109.9°109.5°
C8C7N2111.9°109.5°
C8C7H23107.7°109.4°
C7C8H24109.3°109.5°
C7C8H25109.3°109.5°
C23C18C19117.6°120.0°
C18C23C22121.3°120.0°
C18C23H15119.3°120.0°
C18C19C20121.4°120.0°
C18C19H12119.3°120.0°
C23C22C21119.2°120.0°
C23C22H14120.4°120.0°
C22C23H15119.3°120.0°
C5C6C7110.7°109.3°
C6C5H19109.3°109.5°
C6C5H20109.3°109.6°
C5C6H21109.2°109.5°
C5C6H22109.2°109.5°
C19C20C21119.1°120.0°
C20C19H12119.3°120.0°
C19C20H13120.4°120.0°
C6C7N2111.2°109.5°
C7C6H21109.2°109.5°
C7C6H22109.2°109.5°
C6C7H23107.6°109.4°
C7N2C10120.3°120.0°
N2C7H23108.3°109.5°
C7N2H28119.9°119.9°
C22C21C20121.3°120.0°
C22C21CL1119.4°120.0°
C21C22H14120.4°120.0°
C20C21CL1119.3°120.0°
C21C20H13120.4°120.0°
N2C10N4117.7°119.5°
N2C10N3121.2°119.5°
C10N2H28119.9°120.0°
C10N4C17121.4°119.5°
N4C10N3121.1°121.0°
C10N4H29119.3°120.2°
N4C17O2119.5°120.4°
N4C17C12117.8°119.1°
C17N4H29119.3°120.3°
C10N3C11119.5°121.9°
O2C17C12122.7°120.4°
C17C12C11118.1°118.9°
C17C12C13120.3°118.1°
N3C11C12122.2°119.6°
N3C11C16116.2°117.8°
C11C12C13121.6°123.1°
C12C11C16121.6°122.6°
C12C13C14112.6°110.6°
C12C13H4108.7°109.3°
C12C13H5108.7°109.2°
C11C16C15112.5°110.6°
C11C16H10108.7°109.2°
C11C16H11108.7°109.3°
C13C14C15110.5°108.3°
C14C13H4108.7°109.2°
C14C13H5108.7°109.2°
C13C14H6109.3°109.7°
C13C14H7109.2°109.7°
C16C15C14109.1°108.4°
C16C15H8109.5°109.7°
C16C15H9109.6°109.7°
C15C16H10108.7°109.3°
C15C16H11108.7°109.3°
C15C14H6109.2°109.7°
C15C14H7109.2°109.7°
C14C15H8109.6°109.7°
C14C15H9109.6°109.7°
H1C1H2109.5°109.5°
H1C1H3109.4°109.4°
H2C1H3109.5°109.4°
H4C13H5109.5°109.3°
H6C14H7109.4°109.8°
H8C15H9109.5°109.7°
H10C16H11109.5°109.2°
H16C3H17109.4°109.5°
H16C3H18109.5°109.5°
H17C3H18109.5°109.4°
H19C5H20109.5°109.5°
H21C6H22109.5°109.5°
H24C8H25109.5°109.5°
H26C9H27109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C4C2C335.4°117.6°
O1C4C2N1178.7°180.0°
O1C4C2C179.9°2.4°
O1C4C2C18157.7°122.3°
O1C4N1C948.2°3.0°
O1C4N1C5133.4°177.0°
C3C2C4C1115.3°120.0°
C3C2C4C18122.3°120.1°
C3C2C4N1146.0°62.4°
C3C2C1C18120.6°120.0°
C3C2C18C2373.7°49.5°
C3C2C18C19106.9°130.2°
C3C2C1H1180.0°175.1°
C3C2C1H260.0°64.9°
C3C2C1H360.0°55.1°
C2C3H16H17120.0°120.0°
C2C3H16H18120.0°120.0°
C2C3H17H18120.0°120.0°
C4C2C1C18125.0°120.0°
C2C4N1C9133.2°177.0°
C2C4N1C545.2°3.0°
C4C2C18C2346.7°169.6°
C4C2C18C19132.7°10.1°
C4C2C1H165.6°64.9°
C4C2C1H2174.4°55.1°
C4C2C1H354.4°175.1°
C4C2C3H16180.0°55.3°
C4C2C3H1760.0°64.8°
C4C2C3H1860.0°175.3°
N1C4C2C198.7°177.6°
N1C4C2C1823.6°57.7°
C4N1C9C5178.6°180.0°
C4N1C9C8123.3°126.4°
C4N1C5C6124.2°126.4°
C4N1C5H19115.7°113.8°
C4N1C5H204.1°6.5°
C4N1C9H263.2°6.6°
C4N1C9H27116.6°113.8°
C1C2C18C23167.1°70.5°
C1C2C18C1912.4°109.8°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°120.0°
C2C1H2H3120.0°120.0°
C1C2C3H1665.6°64.7°
C1C2C3H17174.4°175.2°
C1C2C3H1854.4°55.3°
C2C18C23C19179.4°179.7°
C2C18C23C22179.1°179.6°
C2C18C19C20179.2°179.6°
C18C2C1H159.4°55.1°
C18C2C1H260.6°175.1°
C18C2C1H3179.4°64.9°
C2C18C19H120.8°0.3°
C2C18C23H150.9°0.3°
C18C2C3H1654.9°175.3°
C18C2C3H1765.0°55.3°
C18C2C3H18175.0°64.7°
N1C9C8H26120.1°119.8°
N1C9C8H27120.1°119.8°
N1C9C8C757.1°54.7°
C9N1C5C657.3°53.6°
C9N1C5H1962.9°66.2°
C9N1C5H20177.4°173.5°
N1C9C8H2463.0°65.3°
N1C9C8H25177.2°174.6°
N1C9H26H27119.7°120.3°
C8C9N1C558.1°53.6°
C9C8C7H24120.1°120.0°
C9C8C7H25120.1°120.0°
C9C8C7C656.6°61.3°
C9C8C7N267.4°178.6°
C9C8C7H23173.6°58.6°
C9C8H24H25119.7°120.1°
C8C9H26H27119.6°120.4°
N1C5C6H19120.1°119.8°
N1C5C6H20120.1°120.0°
N1C5C6C755.6°54.6°
N1C5H19H20119.6°120.4°
N1C5C6H21175.8°65.3°
N1C5C6H2264.5°174.6°
C5N1C9H26178.2°173.4°
C5N1C9H2762.0°66.2°
C8C7C6C556.1°61.3°
C8C7C6N2124.5°120.1°
C8C7C6H23117.0°119.9°
C8C7N2H23118.6°119.9°
C8C7N2C10129.2°84.9°
C8C7C6H21176.3°58.6°
C8C7C6H2264.1°178.7°
C7C8H24H25119.6°120.0°
C7C8C9H26177.2°174.4°
C7C8C9H2763.0°65.1°
C8C7N2H2850.8°95.0°
C18C23C22H15180.0°179.9°
C23C18C19C200.2°0.1°
C18C23C22C210.3°0.1°
C23C18C19H12179.8°180.0°
C18C23C22H14179.7°180.0°
C19C18C23C220.4°0.1°
C18C19C20H12180.0°179.9°
C18C19C20C210.0°0.1°
C18C19C20H13180.0°180.0°
C19C18C23H15179.6°180.0°
C23C22C21H14180.0°179.9°
C23C22C21C200.0°0.1°
C23C22C21CL1179.8°179.9°
C5C6C7H21120.2°119.9°
C5C6C7H22120.2°120.0°
C5C6C7N268.4°178.6°
C6C5H19H20119.6°120.3°
C5C6H21H22119.4°120.1°
C5C6C7H23173.1°58.6°
C19C20C21C220.2°0.1°
C19C20C21H13180.0°179.9°
C19C20C21CL1180.0°180.0°
C6C7N2H23118.1°120.0°
C6C7N2C10107.4°155.0°
C7C6C5H1964.5°65.2°
C7C6C5H20175.7°174.6°
C7C6H21H22119.4°120.1°
C6C7C8H2463.5°58.6°
C6C7C8H25176.8°178.6°
C6C7N2H2872.6°25.1°
C7N2C10H28180.0°179.9°
C7N2C10N411.3°179.7°
C7N2C10N3168.2°0.1°
N2C7C6H2151.8°61.5°
N2C7C6H22171.4°58.6°
N2C7C8H24172.5°61.4°
N2C7C8H2552.7°58.6°
C22C21C20CL1179.8°180.0°
C22C21C20H13179.9°180.0°
C21C22C23H15179.7°180.0°
C21C20C19H12180.0°180.0°
C20C21C22H14180.0°180.0°
N2C10N4N3179.5°179.8°
N2C10N4C17179.5°179.6°
N2C10N3C11179.2°179.9°
C10N2C7H2310.7°35.0°
N2C10N4H290.5°0.4°
CL1C21C20H130.0°0.0°
CL1C21C22H140.1°0.0°
C10N4C17H29180.0°180.0°
C10N4C17O2179.8°179.7°
C10N4C17C120.3°0.4°
N4C10N3C110.3°0.2°
N4C10N2H28168.7°0.2°
C17N4C10N30.0°0.2°
N4C17O2C12179.9°179.3°
N4C17C12C110.2°0.2°
N4C17C12C13179.8°179.7°
C10N3C11C120.4°0.3°
C10N3C11C16179.8°179.8°
N3C10N2H2811.8°180.0°
N3C10N4H29180.0°179.8°
O2C17C12C11179.9°179.5°
O2C17C12C130.3°1.0°
O2C17N4H290.2°0.3°
C17C12C11N30.1°0.1°
C17C12C11C13179.6°179.5°
C17C12C11C16179.9°180.0°
C17C12C13C14165.1°163.1°
C17C12C13H474.5°76.7°
C17C12C13H544.6°42.8°
C12C17N4H29179.7°179.7°
N3C11C12C16179.8°179.9°
N3C11C12C13179.5°179.4°
N3C11C16C15162.5°162.2°
N3C11C16H1077.0°77.5°
N3C11C16H1142.1°41.9°
C11C12C13C1414.5°17.5°
C12C11C16C1517.6°17.7°
C11C12C13H4105.9°102.8°
C11C12C13H5135.0°137.7°
C12C11C16H10102.8°102.6°
C12C11C16H11138.1°138.0°
C13C12C11C160.3°0.5°
C12C13C14H4120.5°120.3°
C12C13C14H5120.5°120.2°
C12C13C14C1547.1°50.6°
C12C13H4H5118.6°119.5°
C12C13C14H6167.2°170.3°
C12C13C14H773.1°69.1°
C11C16C15H10120.4°120.3°
C11C16C15H11120.5°120.3°
C11C16C15C1449.5°50.9°
C11C16C15H8169.5°68.8°
C11C16C15H970.4°170.7°
C11C16H10H11118.6°119.4°
C13C14C15C1665.6°69.3°
C13C14C15H6120.2°119.6°
C13C14C15H7120.2°119.7°
C14C13H4H5118.6°119.4°
C13C14H6H7119.5°120.6°
C13C14C15H8174.5°50.4°
C13C14C15H954.4°170.9°
C16C15C14H8119.9°119.7°
C16C15C14H9120.0°119.7°
C16C15C14H6174.2°171.0°
C16C15C14H754.6°50.4°
C16C15H8H9120.2°120.5°
C15C16H10H11118.6°119.5°
C15C14C13H473.4°69.7°
C15C14C13H5167.5°170.8°
C15C14H6H7119.5°120.6°
C14C15H8H9120.1°120.6°
C14C15C16H1070.9°69.4°
C14C15C16H11170.0°171.2°
H1C1H2H3119.9°120.0°
H4C13C14H646.8°50.0°
H4C13C14H7166.4°170.6°
H5C13C14H672.3°69.5°
H5C13C14H747.3°51.1°
H6C14C15H854.3°69.2°
H6C14C15H965.8°51.3°
H7C14C15H865.4°170.1°
H7C14C15H9174.5°69.4°
H8C15C16H1049.0°170.9°
H8C15C16H1170.1°51.5°
H9C15C16H10169.1°50.4°
H9C15C16H1150.0°69.0°
H12C19C20H130.0°0.1°
H14C22C23H150.2°0.1°
H16C3H17H18120.0°120.0°
H19C5C6H2155.7°174.9°
H19C5C6H22175.3°54.8°
H20C5C6H2164.1°54.7°
H20C5C6H2255.5°65.4°
H21C6C7H2366.7°178.5°
H22C6C7H2352.9°61.4°
H23C7C8H2453.5°178.6°
H23C7C8H2566.2°61.4°
H23C7N2H28169.3°145.0°
H24C8C9H2657.1°54.5°
H24C8C9H27176.9°174.9°
H25C8C9H2662.7°65.6°
H25C8C9H2757.1°54.9°

247536

PDB entries from 2026-01-14

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