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QAA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C36C35doub1.38Å1.39ÅAromatic
C36C31sing1.38Å1.42ÅAromatic
C30C31sing1.51Å1.53Å
C30C29sing1.51Å1.52Å
C35C34sing1.38Å1.39ÅAromatic
C31C32doub1.38Å1.39ÅAromatic
C26C25doub1.38Å1.37ÅAromatic
C26C27sing1.39Å1.40ÅAromatic
N28C29sing1.35Å1.43Å
N28C27sing1.40Å1.39Å
C34C33doub1.38Å1.41ÅAromatic
C32C33sing1.38Å1.39ÅAromatic
C25C24sing1.40Å1.38ÅAromatic
C29O37doub1.21Å1.22Å
C27N38doub1.32Å1.34ÅAromatic
C02C01sing1.53Å1.52Å
C02N03sing1.47Å1.47Å
C01C06sing1.53Å1.48Å
C24N03sing1.39Å1.45Å
C24N39doub1.32Å1.36ÅAromatic
N38N39sing1.28Å1.35ÅAromatic
N03C04sing1.47Å1.46Å
N23N22doub1.28Å1.34ÅAromatic
N23C08sing1.32Å1.32ÅAromatic
C06O07sing1.43Å1.45Å
C06C05sing1.53Å1.48Å
O07C08sing1.36Å1.39Å
N22C11sing1.32Å1.35ÅAromatic
C08C09doub1.39Å1.40ÅAromatic
C04C05sing1.53Å1.51Å
C11N12sing1.40Å1.46Å
C11C10doub1.39Å1.38ÅAromatic
N12C13sing1.35Å1.44Å
C09C10sing1.39Å1.38ÅAromatic
C20C19doub1.38Å1.40ÅAromatic
C20C15sing1.38Å1.38ÅAromatic
C13C14sing1.51Å1.56Å
C13O21doub1.21Å1.21Å
C19C18sing1.38Å1.39ÅAromatic
C14C15sing1.51Å1.52Å
C15C16doub1.38Å1.39ÅAromatic
C18C17doub1.38Å1.37ÅAromatic
C16C17sing1.38Å1.39ÅAromatic
C10H1sing1.08Å1.08Å
N12H2sing0.97Å1.00Å
C17H3sing1.08Å1.08Å
C20H4sing1.08Å1.08Å
C26H5sing1.08Å1.08Å
C01H6sing1.09Å1.10Å
C01H7sing1.09Å1.10Å
C02H8sing1.09Å1.10Å
C02H9sing1.09Å1.10Å
C04H10sing1.09Å1.10Å
C04H11sing1.09Å1.10Å
C05H12sing1.09Å1.10Å
C05H13sing1.09Å1.10Å
C06H14sing1.09Å1.10Å
C09H15sing1.08Å1.08Å
C14H16sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C16H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
C19H20sing1.08Å1.08Å
C25H21sing1.08Å1.08Å
C30H22sing1.09Å1.10Å
C30H23sing1.09Å1.10Å
C32H24sing1.08Å1.08Å
C33H25sing1.08Å1.08Å
C34H26sing1.08Å1.08Å
C35H27sing1.08Å1.08Å
C36H28sing1.08Å1.08Å
N28H29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C35C36C31119.3°120.0°
C36C35C34119.4°120.0°
C36C35H27120.3°120.0°
C35C36H28120.4°120.0°
C36C31C30120.1°120.0°
C36C31C32121.5°120.0°
C31C36H28120.4°120.0°
C31C30C29116.1°109.5°
C30C31C32118.4°120.0°
C31C30H22107.8°109.5°
C31C30H23107.8°109.5°
C30C29N28113.9°120.0°
C30C29O37122.0°120.0°
C29C30H22107.8°109.4°
C29C30H23107.8°109.5°
C35C34C33121.1°120.0°
C35C34H26119.5°120.0°
C34C35H27120.3°120.0°
C31C32C33119.0°120.0°
C31C32H24120.5°120.0°
C25C26C27119.4°118.0°
C26C25C24119.3°117.9°
C25C26H5120.3°121.0°
C26C25H21120.4°121.0°
C26C27N28115.6°120.0°
C26C27N38120.3°119.9°
C27C26H5120.3°121.0°
C29N28C27129.5°120.0°
N28C29O37124.1°120.0°
C29N28H29115.3°120.0°
N28C27N38124.1°120.1°
C27N28H29115.3°120.0°
C34C33C32119.7°120.0°
C34C33H25120.1°120.0°
C33C34H26119.4°120.0°
C33C32H24120.5°120.0°
C32C33H25120.1°120.0°
C25C24N03116.2°120.1°
C25C24N39119.6°119.9°
C24C25H21120.4°121.1°
C27N38N39120.0°122.1°
C01C02N03114.5°109.5°
C02C01C06110.7°109.3°
C02C01H6109.2°109.6°
C02C01H7109.2°109.6°
C01C02H8108.2°109.5°
C01C02H9108.2°109.4°
C02N03C24116.7°111.0°
C02N03C04115.6°111.2°
N03C02H8108.2°109.5°
N03C02H9108.2°109.4°
C01C06O07110.3°109.5°
C01C06C05112.8°109.1°
C06C01H6109.2°109.5°
C06C01H7109.1°109.4°
C01C06H14109.0°109.6°
N03C24N39124.2°120.1°
C24N03C04122.9°111.0°
C24N39N38121.5°122.2°
N03C04C05110.8°109.5°
N03C04H10109.1°109.5°
N03C04H11109.2°109.4°
N22N23C08119.5°122.1°
N23N22C11120.0°122.2°
N23C08O07115.8°120.0°
N23C08C09123.4°119.9°
O07C06C05106.2°109.5°
C06O07C08102.3°117.0°
O07C06H14109.4°109.5°
C06C05C04109.5°109.3°
C06C05H12109.5°109.5°
C06C05H13109.5°109.5°
C05C06H14109.0°109.6°
O07C08C09120.8°120.1°
N22C11N12117.6°120.1°
N22C11C10122.2°119.8°
C08C09C10116.7°118.0°
C08C09H15121.6°121.0°
C05C04H10109.1°109.4°
C05C04H11109.1°109.5°
C04C05H12109.5°109.5°
C04C05H13109.5°109.5°
N12C11C10120.2°120.1°
C11N12C13122.6°120.0°
C11N12H2118.7°120.0°
C11C10C09118.2°118.0°
C11C10H1120.9°121.1°
N12C13C14120.5°120.0°
N12C13O21116.0°120.0°
C13N12H2118.7°120.0°
C09C10H1120.9°121.0°
C10C09H15121.6°121.1°
C19C20C15120.1°120.0°
C20C19C18120.2°120.0°
C19C20H4120.0°120.0°
C20C19H20119.9°120.0°
C20C15C14122.8°120.0°
C20C15C16119.0°120.0°
C15C20H4119.9°120.0°
C14C13O21123.5°120.0°
C13C14C15115.4°109.4°
C13C14H16108.0°109.4°
C13C14H17107.9°109.4°
C19C18C17119.8°120.0°
C19C18H19120.1°120.0°
C18C19H20119.9°120.0°
C14C15C16118.2°120.0°
C15C14H16108.0°109.5°
C15C14H17108.0°109.5°
C15C16C17121.1°120.0°
C15C16H18119.5°120.0°
C18C17C16119.7°120.0°
C18C17H3120.1°120.0°
C17C18H19120.1°120.0°
C16C17H3120.1°120.0°
C17C16H18119.4°120.0°
H6C01H7109.5°109.6°
H8C02H9109.5°109.4°
H10C04H11109.5°109.4°
H12C05H13109.5°109.4°
H16C14H17109.5°109.5°
H22C30H23109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C35C36C31H28180.0°179.4°
C35C36C31C30179.4°179.7°
C36C35C34H27180.0°179.7°
C35C36C31C320.7°0.6°
C36C35C34C330.1°0.2°
C36C35C34H26179.9°179.7°
C36C31C30C32178.8°179.7°
C36C31C30C2975.3°90.3°
C31C36C35C340.3°0.6°
C36C31C32C330.6°0.3°
C36C31C30H22163.8°149.7°
C36C31C30H2345.7°29.7°
C36C31C32H24179.4°179.7°
C31C36C35H27179.7°179.7°
C31C30C29H22121.0°120.0°
C31C30C29H23121.0°120.0°
C31C30C29N28169.1°180.0°
C30C31C32C33179.4°180.0°
C31C30C29O3710.4°0.1°
C31C30H22H23117.0°120.0°
C30C31C32H240.6°0.0°
C30C31C36H280.6°0.3°
C29C30C31C32106.0°90.0°
C30C29N28O37179.5°179.9°
C30C29N28C27178.8°175.0°
C29C30H22H23117.0°120.0°
C30C29N28H291.2°5.1°
C35C34C33H26180.0°180.0°
C35C34C33C320.1°0.1°
C35C34C33H25179.9°180.0°
C34C35C36H28179.7°179.9°
C31C32C33C340.2°0.1°
C31C32C33H24180.0°180.0°
C32C31C30H2215.0°30.0°
C32C31C30H23133.1°150.0°
C31C32C33H25179.8°180.0°
C32C31C36H28179.3°180.0°
C25C26C27H5180.0°180.0°
C25C26C27N28178.6°180.0°
C26C25C24H21180.0°180.0°
C25C26C27N381.4°0.3°
C26C25C24N03179.9°180.0°
C26C25C24N390.4°0.3°
C26C27N28C29157.5°174.9°
C26C27N28N38177.1°179.7°
C27C26C25C240.9°0.0°
C26C27N38N391.3°0.3°
C27C26C25H21179.1°180.0°
C26C27N28H2922.6°5.2°
C29N28C27H29180.0°179.9°
C29N28C27N3825.4°4.8°
N28C29C30H2270.0°60.0°
N28C29C30H2348.1°59.9°
C27N28C29O371.7°5.1°
N28C27N38N39178.3°180.0°
N28C27C26H51.4°0.0°
C34C33C32H25180.0°179.9°
C34C33C32H24179.8°179.9°
C33C34C35H27179.9°180.0°
C32C33C34H26179.9°180.0°
C25C24N03C0214.1°179.8°
C25C24N03N39179.7°179.7°
C25C24N39N380.3°0.3°
C25C24N03C04168.4°56.0°
C24C25C26H5179.1°180.0°
O37C29C30H22110.5°120.1°
O37C29C30H23131.4°120.0°
O37C29N28H29178.3°174.8°
C27N38N39C240.8°0.0°
N38C27C26H5178.6°179.7°
N38C27N28H29154.5°175.1°
C01C02N03H8120.7°120.1°
C01C02N03H9120.7°120.0°
C02C01C06H6120.1°120.0°
C02C01C06H7120.2°120.0°
C01C02N03C24104.8°174.1°
C01C02N03C0451.4°61.8°
C02C01C06O0796.3°62.2°
C02C01C06C0522.3°57.7°
C02C01H6H7119.5°120.2°
C01C02H8H9117.8°120.0°
C02C01C06H14143.5°177.6°
N03C02C01C0634.4°59.2°
C02N03C24C04154.3°124.2°
C02N03C24N39165.6°0.0°
C02N03C04C057.9°61.7°
N03C02C01H6154.6°60.7°
N03C02C01H785.7°179.1°
N03C02H8H9117.7°119.9°
C02N03C04H10128.0°178.2°
C02N03C04H11112.3°58.3°
C01C06O07C05122.5°119.6°
C01C06O07H14120.0°120.2°
C01C06C05H14121.3°120.0°
C01C06O07C08130.5°150.0°
C01C06C05C0465.7°57.6°
C06C01H6H7119.4°120.0°
C06C01C02H8155.2°60.8°
C06C01C02H986.3°179.2°
C01C06C05H1254.3°177.6°
C01C06C05H13174.3°62.4°
N03C24N39N38179.9°180.0°
C24N03C04C05146.7°174.2°
C24N03C02H816.0°65.8°
C24N03C02H9134.5°54.1°
C24N03C04H1026.5°54.1°
C24N03C04H1193.1°65.8°
N03C24C25H210.0°0.0°
N39C24N03C0411.3°124.2°
N39C24C25H21179.7°179.7°
N03C04C05C0648.5°59.2°
N03C04C05H10120.2°120.1°
N03C04C05H11120.2°120.0°
C04N03C02H8172.1°58.3°
C04N03C02H969.3°178.2°
N03C04H10H11119.4°120.0°
N03C04C05H1271.5°179.1°
N03C04C05H13168.5°60.8°
N22N23C08O07179.2°179.8°
N22N23C08C091.6°0.3°
N23N22C11N12179.1°180.0°
N23N22C11C100.4°0.0°
N23C08O07C0679.3°0.1°
N23C08O07C09177.7°179.9°
C08N23N22C110.4°0.3°
N23C08C09C102.0°0.0°
N23C08C09H15178.0°180.0°
O07C06C05H14117.8°120.2°
C06O07C08C0998.4°180.0°
O07C06C05C0455.2°62.2°
O07C06C01H6143.6°177.8°
O07C06C01H723.9°57.8°
O07C06C05H12175.2°57.7°
O07C06C05H1364.8°177.8°
C05C06O07C08107.1°90.4°
C06C05C04H12120.0°120.0°
C06C05C04H13120.0°120.0°
C05C06C01H697.8°62.3°
C05C06C01H7142.5°177.6°
C06C05C04H1071.7°179.2°
C06C05C04H11168.7°60.8°
C06C05H12H13120.0°120.1°
O07C08C09C10179.5°179.9°
C08O07C06H1410.5°29.8°
O07C08C09H150.5°0.1°
N22C11N12C10178.7°179.9°
N22C11N12C13105.9°5.0°
N22C11C10C090.1°0.2°
N22C11C10H1180.0°180.0°
N22C11N12H274.1°174.9°
C08C09C10C111.1°0.2°
C08C09C10H15180.0°180.0°
C08C09C10H1178.9°180.0°
C05C04H10H11119.4°120.0°
C04C05H12H13120.0°120.1°
C04C05C06H14173.1°177.6°
C11N12C13H2180.0°179.9°
N12C11C10C09178.6°179.7°
C11N12C13C140.6°174.9°
C11N12C13O21180.0°5.0°
N12C11C10H11.4°0.0°
C10C11N12C1375.4°174.9°
C11C10C09H1180.0°179.7°
C10C11N12H2104.6°5.2°
C11C10C09H15178.9°179.8°
N12C13C14O21179.3°179.9°
N12C13C14C15167.7°180.0°
N12C13C14H1646.8°60.0°
N12C13C14H1771.4°60.0°
C19C20C15H4180.0°180.0°
C20C19C18H20180.0°180.0°
C19C20C15C14179.9°179.7°
C19C20C15C161.0°0.1°
C20C19C18C170.2°0.0°
C20C19C18H19179.8°180.0°
C20C15C14C1334.0°90.3°
C15C20C19C180.5°0.0°
C20C15C14C16179.1°179.6°
C20C15C16C171.3°0.1°
C20C15C14H1686.9°149.7°
C20C15C14H17154.8°29.6°
C20C15C16H18178.7°180.0°
C15C20C19H20179.5°180.0°
C13C14C15H16120.9°120.0°
C13C14C15H17120.9°119.9°
C13C14C15C16146.9°90.1°
C14C13N12H2179.4°5.2°
C13C14H16H17117.2°119.9°
O21C13C14C1511.6°0.0°
O21C13N12H20.0°174.9°
O21C13C14H16132.5°120.0°
O21C13C14H17109.2°120.0°
C19C18C17H19180.0°180.0°
C19C18C17C160.5°0.0°
C19C18C17H3179.4°180.0°
C18C19C20H4179.5°180.0°
C14C15C16C17179.5°179.7°
C14C15C20H40.1°0.3°
C15C14H16H17117.3°120.1°
C14C15C16H180.5°0.4°
C15C16C17C181.1°0.1°
C15C16C17H18180.0°179.9°
C15C16C17H3178.9°180.0°
C16C15C20H4179.0°180.0°
C16C15C14H1692.2°29.9°
C16C15C14H1726.0°150.0°
C18C17C16H3180.0°179.9°
C18C17C16H18178.9°179.9°
C17C18C19H20179.8°179.9°
C16C17C18H19179.5°180.0°
H1C10C09H151.1°0.0°
H3C17C16H181.1°0.1°
H3C17C18H190.6°0.1°
H4C20C19H200.5°0.0°
H5C26C25H210.9°0.0°
H6C01C02H884.7°179.2°
H6C01C02H933.9°59.3°
H6C01C06H1423.4°57.6°
H7C01C02H835.0°59.0°
H7C01C02H9153.6°60.9°
H7C01C06H1496.3°62.4°
H10C04C05H12168.3°60.8°
H10C04C05H1348.3°59.2°
H11C04C05H1248.7°59.1°
H11C04C05H1371.3°179.2°
H12C05C06H1466.9°62.4°
H13C05C06H1453.1°57.6°
H19C18C19H200.2°0.1°
H24C32C33H250.2°0.1°
H25C33C34H260.1°0.1°
H26C34C35H270.1°0.0°
H27C35C36H280.3°0.3°

226262

PDB entries from 2024-10-16

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