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Y2H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.38Å1.38Å
N1C3sing1.35Å1.44Å
N1C18sing1.46Å1.47Å
C2C5doub1.40Å1.44ÅAromatic
C2N6sing1.33Å1.37ÅAromatic
C3N4sing1.35Å1.42Å
C3O14doub1.22Å1.19Å
N4C12sing1.47Å1.43Å
N4C5sing1.39Å1.37Å
C5C10sing1.39Å1.40ÅAromatic
N6C7doub1.32Å1.38ÅAromatic
C7N15sing1.39Å1.40Å
C7N9sing1.32Å1.39ÅAromatic
C8C16sing1.48Å1.54Å
C8N11sing1.35Å1.41Å
C8O17doub1.22Å1.24Å
N9C10doub1.33Å1.36ÅAromatic
N11C19sing1.46Å1.46Å
C12C27sing1.51Å1.50Å
N13C24sing1.47Å1.46Å
N13C30sing1.47Å1.48Å
N13C25sing1.47Å1.46Å
N15C26sing1.39Å1.40Å
C16C21doub1.40Å1.38ÅAromatic
C16C20sing1.40Å1.43ÅAromatic
C19C22sing1.53Å1.53Å
C19C23sing1.53Å1.53Å
C20C28doub1.38Å1.44ÅAromatic
C21C29sing1.38Å1.40ÅAromatic
C22C25sing1.53Å1.54Å
C23C24sing1.53Å1.53Å
C26C28sing1.39Å1.42ÅAromatic
C26C29doub1.39Å1.41ÅAromatic
C27C31doub1.38Å1.40ÅAromatic
C27C32sing1.38Å1.43ÅAromatic
C31C34sing1.38Å1.38ÅAromatic
C32C33doub1.38Å1.37ÅAromatic
C33C35sing1.38Å1.42ÅAromatic
C34C35doub1.38Å1.42ÅAromatic
C10H36sing1.08Å1.08Å
C18H43sing1.09Å1.10Å
C18H41sing1.09Å1.10Å
C18H42sing1.09Å1.10Å
C19H44sing1.09Å1.10Å
C20H45sing1.08Å1.08Å
C21H46sing1.08Å1.08Å
C22H47sing1.09Å1.10Å
C22H48sing1.09Å1.10Å
C23H49sing1.09Å1.10Å
C23H50sing1.09Å1.10Å
C24H51sing1.09Å1.10Å
C24H52sing1.09Å1.10Å
C25H53sing1.09Å1.10Å
C25H54sing1.09Å1.10Å
C28H55sing1.08Å1.08Å
N11H37sing0.97Å1.00Å
C12H38sing1.09Å1.10Å
C12H39sing1.09Å1.10Å
N15H40sing0.97Å1.00Å
C29H56sing1.08Å1.08Å
C30H58sing1.09Å1.10Å
C30H57sing1.09Å1.10Å
C30H59sing1.09Å1.10Å
C31H60sing1.08Å1.08Å
C32H61sing1.08Å1.08Å
C33H62sing1.08Å1.08Å
C34H63sing1.08Å1.08Å
C35H64sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C3107.2°108.6°
C2N1C18126.6°125.7°
N1C2C5108.2°106.8°
N1C2N6128.4°134.2°
C3N1C18126.1°125.7°
N1C3N4107.7°109.7°
N1C3O14126.9°125.1°
N1C18H43109.5°109.5°
N1C18H41109.5°109.5°
N1C18H42109.5°109.5°
C5C2N6123.4°119.0°
C2C5N4108.5°106.8°
C2C5C10119.3°118.8°
C2N6C7112.6°120.4°
N4C3O14125.4°125.1°
C3N4C12127.3°125.9°
C3N4C5108.4°108.1°
C12N4C5124.3°126.0°
N4C12C27109.0°109.5°
N4C12H38109.6°109.5°
N4C12H39109.6°109.4°
N4C5C10132.2°134.4°
C5C10N9118.8°118.8°
C5C10H36120.6°120.6°
N6C7N15119.1°119.0°
N6C7N9127.6°122.0°
N15C7N9113.3°119.0°
C7N15C26134.1°120.0°
C7N15H40113.0°120.1°
C7N9C10118.3°121.0°
C16C8N11115.1°120.0°
C16C8O17123.0°120.0°
C8C16C21115.6°120.1°
C8C16C20126.1°120.0°
N11C8O17121.7°120.0°
C8N11C19130.1°120.0°
C8N11H37114.9°120.0°
N9C10H36120.6°120.6°
N11C19C22109.3°109.5°
N11C19C23108.6°109.5°
N11C19H44109.7°109.6°
C19N11H37114.9°120.0°
C12C27C31122.5°120.0°
C12C27C32117.6°120.0°
C27C12H38109.6°109.5°
C27C12H39109.6°109.5°
C24N13C30110.8°111.0°
C24N13C25109.3°111.1°
N13C24C23111.0°109.6°
N13C24H51109.1°109.5°
N13C24H52109.1°109.5°
C30N13C25111.0°111.0°
N13C30H58109.5°109.5°
N13C30H57109.5°109.5°
N13C30H59109.5°109.5°
N13C25C22111.1°109.5°
N13C25H53109.1°109.4°
N13C25H54109.1°109.4°
N15C26C28124.9°119.9°
N15C26C29115.0°119.9°
C26N15H40113.0°120.0°
C21C16C20118.2°119.9°
C16C21C29122.0°120.0°
C16C21H46119.0°120.1°
C16C20C28121.1°119.9°
C16C20H45119.5°120.1°
C22C19C23111.5°109.2°
C19C22C25111.2°109.3°
C22C19H44108.8°109.5°
C19C22H47109.0°109.5°
C19C22H48109.0°109.5°
C19C23C24111.3°109.3°
C23C19H44108.9°109.5°
C19C23H49109.0°109.5°
C19C23H50109.0°109.5°
C20C28C26118.5°120.1°
C28C20H45119.5°120.0°
C20C28H55120.8°120.0°
C21C29C26121.0°120.0°
C29C21H46119.0°120.0°
C21C29H56119.5°120.0°
C25C22H47109.0°109.5°
C25C22H48109.0°109.5°
C22C25H53109.0°109.5°
C22C25H54109.1°109.4°
C24C23H49109.0°109.5°
C24C23H50109.0°109.5°
C23C24H51109.1°109.4°
C23C24H52109.1°109.5°
C28C26C29119.0°120.2°
C26C28H55120.8°120.0°
C26C29H56119.5°120.0°
C31C27C32119.9°120.0°
C27C31C34120.8°120.0°
C27C31H60119.6°120.0°
C27C32C33119.3°120.0°
C27C32H61120.4°120.0°
C31C34C35119.8°120.0°
C34C31H60119.6°120.0°
C31C34H63120.1°120.0°
C32C33C35121.2°120.0°
C33C32H61120.3°120.0°
C32C33H62119.4°120.0°
C33C35C34118.9°120.0°
C35C33H62119.5°120.0°
C33C35H64120.5°120.0°
C35C34H63120.1°120.0°
C34C35H64120.5°120.0°
H43C18H41109.4°109.5°
H43C18H42109.5°109.4°
H41C18H42109.5°109.4°
H47C22H48109.5°109.6°
H49C23H50109.4°109.6°
H51C24H52109.5°109.4°
H53C25H54109.5°109.5°
H38C12H39109.5°109.5°
H58C30H57109.5°109.5°
H58C30H59109.4°109.4°
H57C30H59109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1C3C18177.2°180.0°
N1C2C5N6179.1°179.9°
C2N1C3N42.2°0.0°
C2N1C3O14179.0°180.0°
N1C2C5N40.1°0.0°
N1C2C5C10178.4°180.0°
N1C2N6C7178.5°179.7°
C2N1C18H43180.0°90.0°
C2N1C18H4160.0°150.0°
C2N1C18H4260.0°30.0°
C3N1C2C51.3°0.0°
C3N1C2N6179.7°179.9°
N1C3N4O14178.8°180.0°
N1C3N4C12176.2°180.0°
N1C3N4C52.4°0.0°
C3N1C18H433.3°90.0°
C3N1C18H41123.3°30.0°
C3N1C18H42116.7°150.0°
C18N1C2C5178.5°180.0°
C18N1C2N62.5°0.1°
C18N1C3N4179.5°180.0°
C18N1C3O141.7°0.0°
N1C18H43H41120.0°120.0°
N1C18H43H42120.0°120.0°
N1C18H41H42120.0°120.0°
C2C5N4C31.6°0.0°
C2C5N4C12177.1°180.0°
C2C5N4C10177.9°180.0°
C5C2N6C70.4°0.4°
C2C5C10N90.9°0.2°
C2C5C10H36179.1°180.0°
N6C2C5N4178.9°180.0°
N6C2C5C100.7°0.1°
C2N6C7N15177.5°180.0°
C2N6C7N90.4°0.4°
C3N4C12C5178.4°180.0°
C3N4C5C10179.5°180.0°
C3N4C12C2797.7°90.0°
C3N4C12H38142.3°30.0°
C3N4C12H3922.2°150.0°
O14C3N4C122.6°0.0°
O14C3N4C5178.8°180.0°
C12N4C5C100.8°0.0°
N4C12C27H38119.9°120.0°
N4C12C27H39119.9°120.0°
N4C12C27C3199.8°90.0°
N4C12C27C3281.7°90.3°
N4C12H38H39120.2°119.9°
N4C5C10N9178.7°179.7°
C5N4C12C2783.9°90.0°
N4C5C10H361.3°0.0°
C5N4C12H3836.1°150.0°
C5N4C12H39156.2°30.0°
C5C10N9C70.9°0.2°
C5C10N9H36180.0°179.8°
N6C7N15N9178.2°179.6°
N6C7N9C100.6°0.1°
N6C7N15C2611.3°174.5°
N6C7N15H40168.7°5.6°
N15C7N9C10177.3°179.7°
C7N15C26H40180.0°179.9°
C7N15C26C28162.0°146.4°
C7N15C26C2930.4°33.7°
N9C7N15C26170.5°5.9°
C7N9C10H36179.1°180.0°
N9C7N15H409.5°174.0°
C16C8N11O17177.0°180.0°
C16C8N11C19177.5°180.0°
C8C16C21C20176.7°179.8°
C8C16C20C28177.5°179.7°
C8C16C21C29179.1°179.8°
C8C16C20H452.5°0.3°
C8C16C21H460.9°0.3°
C16C8N11H372.5°0.0°
C8N11C19H37180.0°180.0°
N11C8C16C21136.6°180.0°
N11C8C16C2039.7°0.3°
C8N11C19C22158.3°155.0°
C8N11C19C2379.8°85.4°
C8N11C19H4439.0°34.8°
O17C8N11C190.6°0.0°
O17C8C16C2140.3°0.0°
O17C8C16C20143.3°179.7°
O17C8N11H37179.5°180.0°
N11C19C22C23120.1°119.9°
N11C19C22H44119.8°120.2°
N11C19C23H44119.4°120.2°
N11C19C22C25168.2°177.6°
N11C19C23C24169.1°177.5°
N11C19C22H4771.5°62.5°
N11C19C22H4848.0°57.6°
N11C19C23H4948.8°57.6°
N11C19C23H5070.6°62.5°
C12C27C31C32178.5°179.7°
C12C27C31C34179.1°179.8°
C12C27C32C33179.5°179.7°
C27C12H38H39120.2°120.1°
C12C27C31H600.9°0.3°
C12C27C32H610.5°0.3°
C24N13C30C25121.6°124.1°
N13C24C23C1956.5°59.2°
C24N13C25C2262.9°61.8°
N13C24C23H51120.2°120.0°
N13C24C23H52120.2°120.1°
N13C24C23H4963.8°60.7°
N13C24C23H50176.8°179.1°
N13C24H51H52119.3°120.0°
C24N13C25H53176.9°58.3°
C24N13C25H5457.3°178.3°
C24N13C30H58180.0°59.9°
C24N13C30H5760.0°180.0°
C24N13C30H5960.0°60.0°
C30N13C25C22174.6°174.2°
C30N13C24C23174.1°174.2°
C30N13C24H5165.7°54.2°
C30N13C24H5253.9°65.8°
C30N13C25H5354.4°65.8°
C30N13C25H5465.1°54.2°
N13C30H58H57120.0°120.1°
N13C30H58H59120.0°120.0°
N13C30H57H59120.0°120.0°
N13C25C22C1955.6°59.2°
N13C25C22H53120.2°120.0°
N13C25C22H54120.3°119.9°
C25N13C24C2363.3°61.8°
N13C25C22H47175.9°179.1°
N13C25C22H4864.7°60.7°
C25N13C24H5156.9°178.2°
C25N13C24H52176.4°58.3°
N13C25H53H54119.3°119.9°
C25N13C30H5858.4°64.2°
C25N13C30H57178.5°55.9°
C25N13C30H5961.6°175.8°
N15C26C28C20173.7°179.9°
N15C26C29C21173.9°180.0°
N15C26C28C29167.1°180.0°
N15C26C28H556.4°0.0°
N15C26C29H566.1°0.1°
C21C16C20C281.2°0.0°
C16C21C29H46180.0°180.0°
C16C21C29C260.9°0.0°
C21C16C20H45178.8°180.0°
C16C21C29H56179.1°180.0°
C16C20C28H45180.0°180.0°
C20C16C21C292.5°0.0°
C16C20C28C263.3°0.1°
C20C16C21H46177.5°180.0°
C16C20C28H55176.7°180.0°
C22C19C23H44120.0°119.9°
C19C22C25H47120.3°119.9°
C19C22C25H48120.3°119.9°
C22C19C23C2448.6°57.6°
C19C22H47H48119.2°120.1°
C22C19C23H4971.7°62.3°
C22C19C23H50168.9°177.6°
C19C22C25H53175.8°60.8°
C19C22C25H5464.7°179.1°
C22C19N11H3721.7°25.0°
C23C19C22C2548.1°57.6°
C19C23C24H49120.3°119.9°
C19C23C24H50120.3°119.9°
C23C19C22H47168.4°177.6°
C23C19C22H4872.1°62.3°
C19C23H49H50119.2°120.1°
C19C23C24H5163.7°179.2°
C19C23C24H52176.7°60.8°
C23C19N11H37100.2°94.7°
C20C28C26H55180.0°179.9°
C20C28C26C296.6°0.0°
C21C29C26C285.5°0.0°
C21C29C26H56180.0°179.9°
C25C22C19H4471.9°62.2°
C25C22H47H48119.2°120.1°
C22C25H53H54119.2°120.0°
C24C23C19H4471.4°62.2°
C24C23H49H50119.1°120.1°
C23C24H51H52119.3°120.0°
C26C28C20H45176.6°180.0°
C28C26N15H4018.0°33.5°
C28C26C29H56174.5°179.9°
C26C29C21H46179.1°180.0°
C29C26C28H55173.4°180.0°
C29C26N15H40149.6°146.4°
C27C31C34H60180.0°179.9°
C31C27C32C331.0°0.0°
C27C31C34C351.7°0.1°
C31C27C12H3820.1°150.0°
C31C27C12H39140.3°30.0°
C31C27C32H61179.1°180.0°
C27C31C34H63178.3°180.0°
C32C27C31C342.4°0.1°
C27C32C33H61180.0°180.0°
C27C32C33C351.2°0.0°
C32C27C12H38158.4°29.7°
C32C27C12H3938.2°149.7°
C32C27C31H60177.6°180.0°
C27C32C33H62178.8°180.0°
C31C34C35C330.4°0.0°
C31C34C35H63180.0°179.9°
C31C34C35H64179.6°179.9°
C32C33C35H62180.0°180.0°
C32C33C35C341.9°0.0°
C32C33C35H64178.1°180.0°
C33C35C34H64180.0°179.9°
C35C33C32H61178.8°180.0°
C33C35C34H63179.6°180.0°
C35C34C31H60178.3°180.0°
C34C35C33H62178.1°180.0°
H43C18H41H42120.0°120.0°
H44C19C22H4748.3°57.7°
H44C19C22H48167.8°177.9°
H44C19C23H49168.3°177.8°
H44C19C23H5048.8°57.7°
H44C19N11H37140.9°145.2°
H45C20C28H553.3°0.0°
H46C21C29H560.9°0.1°
H47C22C25H5363.9°59.1°
H47C22C25H5455.6°60.9°
H48C22C25H5355.6°179.3°
H48C22C25H54175.1°59.3°
H49C23C24H51176.0°59.3°
H49C23C24H5256.4°179.2°
H50C23C24H5156.5°60.9°
H50C23C24H5263.0°59.1°
H58C30H57H59120.0°119.9°
H60C31C34H631.7°0.1°
H61C32C33H621.2°0.0°
H62C33C35H641.9°0.0°
H63C34C35H640.4°0.0°

251801

PDB entries from 2026-04-08

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