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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.38ÅAromatic
C1C6sing1.39Å1.37ÅAromatic
C1C7sing1.51Å1.48Å
C2C3sing1.39Å1.37ÅAromatic
C2C9sing1.51Å1.51Å
C3C4doub1.38Å1.38ÅAromatic
C4C5sing1.38Å1.42ÅAromatic
C5C6doub1.38Å1.46ÅAromatic
C7C8sing1.54Å1.56Å
C8C9sing1.54Å1.53Å
C8N10sing1.47Å1.43Å
N10C11sing1.38Å1.40Å
C11N12doub1.32Å1.39ÅAromatic
C11N16sing1.33Å1.38ÅAromatic
N12C13sing1.32Å1.35ÅAromatic
C13C14doub1.39Å1.37ÅAromatic
C14C15sing1.38Å1.38ÅAromatic
C14C17sing1.51Å1.49Å
C15N16doub1.32Å1.34ÅAromatic
C15C19sing1.51Å1.50Å
C17N18sing1.47Å1.48Å
N18C29sing1.35Å1.40Å
N18C19sing1.47Å1.55Å
N20N21doub1.29Å1.29ÅAromatic
N20N24sing1.29Å1.42ÅAromatic
N21C22sing1.34Å1.42ÅAromatic
C22C23doub1.35Å1.43ÅAromatic
C23N24sing1.35Å1.48ÅAromatic
C23C25sing1.51Å1.50Å
C25C26sing1.53Å1.54Å
C26O27sing1.43Å1.39Å
O27C28sing1.43Å1.50Å
C28C29sing1.51Å1.47Å
C29O30doub1.21Å1.26Å
C13H41sing1.08Å1.08Å
C17H43sing1.09Å1.10Å
C17H42sing1.09Å1.10Å
C19H44sing1.09Å1.10Å
C19H45sing1.09Å1.10Å
C22H46sing1.08Å1.08Å
C25H48sing1.09Å1.10Å
C25H49sing1.09Å1.10Å
C26H51sing1.09Å1.10Å
C26H50sing1.09Å1.10Å
C28H53sing1.09Å1.10Å
C28H52sing1.09Å1.10Å
C3H31sing1.08Å1.08Å
C4H32sing1.08Å1.08Å
C5H33sing1.08Å1.08Å
C6H34sing1.08Å1.08Å
C7H36sing1.09Å1.10Å
C7H35sing1.09Å1.10Å
C8H37sing1.09Å1.10Å
C9H38sing1.09Å1.10Å
C9H39sing1.09Å1.10Å
N10H40sing0.97Å1.00Å
N24H47sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6122.5°119.8°
C2C1C7111.1°109.8°
C1C2C3119.9°119.8°
C1C2C9113.0°109.7°
C6C1C7126.4°130.4°
C1C6C5117.9°120.2°
C1C6H34121.0°119.9°
C1C7C8100.8°105.2°
C1C7H36111.6°110.3°
C1C7H35111.6°110.2°
C3C2C9127.1°130.4°
C2C3C4121.6°120.2°
C2C3H31119.2°119.8°
C2C9C899.5°105.3°
C2C9H38111.9°110.3°
C2C9H39111.9°110.3°
C3C4C5119.7°119.9°
C4C3H31119.2°119.9°
C3C4H32120.2°120.0°
C4C5C6118.4°119.9°
C5C4H32120.2°120.0°
C4C5H33120.8°120.0°
C6C5H33120.8°120.0°
C5C6H34121.0°119.9°
C7C8C9108.1°102.5°
C7C8N10110.3°110.8°
C8C7H36111.6°110.4°
C8C7H35111.6°110.3°
C7C8H37106.7°110.8°
C9C8N10116.2°110.9°
C9C8H37107.0°110.6°
C8C9H38111.9°110.6°
C8C9H39111.9°110.0°
C8N10C11123.0°119.9°
N10C8H37108.2°110.9°
C8N10H40106.0°120.0°
N10C11N12118.4°119.2°
N10C11N16116.1°119.1°
C11N10H40106.0°120.1°
N12C11N16125.5°121.7°
C11N12C13114.3°120.8°
C11N16C15115.3°120.6°
N12C13C14124.2°119.0°
N12C13H41117.9°120.6°
C13C14C15117.0°118.8°
C13C14C17128.6°132.2°
C14C13H41117.9°120.5°
C15C14C17114.3°108.9°
C14C15N16123.7°119.2°
C14C15C19111.6°108.8°
C14C17N1899.9°107.7°
C14C17H43111.8°109.8°
C14C17H42111.8°109.9°
N16C15C19124.7°132.0°
C15C19N1899.6°107.7°
C15C19H44111.9°109.8°
C15C19H45111.9°109.8°
C17N18C29119.1°126.6°
C17N18C19114.5°106.9°
N18C17H43111.8°109.8°
N18C17H42111.8°109.8°
C29N18C19126.4°126.5°
N18C29C28115.0°120.0°
N18C29O30121.8°120.0°
N18C19H44111.9°109.8°
N18C19H45111.9°109.9°
N21N20N24110.2°110.2°
N20N21C22111.1°108.9°
N20N24C23106.6°108.3°
N20N24H47126.7°125.9°
N21C22C23107.6°106.5°
N21C22H46126.2°126.8°
C22C23N24104.4°106.2°
C22C23C25127.8°126.9°
C23C22H46126.2°126.8°
N24C23C25127.8°126.9°
C23N24H47126.7°125.8°
C23C25C26113.5°109.5°
C23C25H48108.4°109.5°
C23C25H49108.5°109.5°
C25C26O2798.4°109.5°
C26C25H48108.5°109.5°
C26C25H49108.5°109.5°
C25C26H51112.2°109.5°
C25C26H50112.1°109.4°
C26O27C28114.4°114.0°
O27C26H51112.2°109.5°
O27C26H50112.2°109.5°
O27C28C29107.0°109.5°
O27C28H53110.1°109.5°
O27C28H52110.1°109.5°
C28C29O30123.1°120.0°
C29C28H53110.1°109.5°
C29C28H52110.1°109.4°
H43C17H42109.5°109.8°
H44C19H45109.5°109.8°
H48C25H49109.4°109.4°
H51C26H50109.5°109.5°
H53C28H52109.5°109.5°
H36C7H35109.5°110.4°
H38C9H39109.5°110.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6C7178.4°179.7°
C1C2C3C9176.7°180.0°
C1C2C3C40.5°0.0°
C2C1C6C50.1°0.0°
C2C1C7C817.5°17.2°
C1C2C9C815.1°16.8°
C1C2C3H31179.5°180.0°
C2C1C6H34179.9°180.0°
C2C1C7H36101.1°101.7°
C2C1C7H35136.1°136.1°
C1C2C9H38133.4°136.1°
C1C2C9H39103.3°101.8°
C6C1C2C30.3°0.0°
C6C1C2C9176.8°180.0°
C1C6C5C40.3°0.0°
C1C6C5H34180.0°180.0°
C6C1C7C8161.0°163.1°
C1C6C5H33179.7°179.9°
C6C1C7H3680.4°77.9°
C6C1C7H3542.4°44.2°
C7C1C2C3178.9°179.7°
C7C1C2C91.8°0.3°
C7C1C6C5178.3°179.7°
C1C7C8H36118.6°118.9°
C1C7C8H35118.6°118.9°
C1C7C8C927.1°26.2°
C1C7C8N10155.1°144.6°
C7C1C6H341.7°0.4°
C1C7H36H35124.0°122.1°
C1C7C8H3787.6°91.9°
C2C3C4H31180.0°180.0°
C2C3C4C50.3°0.0°
C3C2C9C8161.8°163.2°
C2C3C4H32179.7°180.0°
C3C2C9H3843.4°43.9°
C3C2C9H3979.9°78.2°
C9C2C3C4176.2°180.0°
C2C9C8C725.6°26.1°
C2C9C8H38118.4°119.1°
C2C9C8H39118.4°118.8°
C2C9C8N10150.1°144.3°
C9C2C3H313.8°0.0°
C2C9C8H3788.9°92.1°
C2C9H38H39124.7°122.1°
C3C4C5H32180.0°179.9°
C3C4C5C60.2°0.0°
C3C4C5H33179.9°179.9°
C4C5C6H33180.0°179.9°
C5C4C3H31179.7°180.0°
C4C5C6H34179.7°180.0°
C6C5C4H32179.9°179.9°
C7C8C9N10124.5°118.3°
C7C8C9H37114.5°118.2°
C7C8N10H37116.3°123.5°
C7C8N10C11154.3°155.0°
C8C7H36H35124.0°122.2°
C7C8C9H38143.9°145.1°
C7C8C9H3992.8°92.7°
C7C8N10H4083.9°25.0°
C9C8N10H37120.3°123.4°
C9C8N10C1182.3°91.9°
C9C8C7H3691.5°92.7°
C9C8C7H35145.7°145.0°
C8C9H38H39124.7°122.0°
C9C8N10H4039.5°88.1°
C8N10C11H40121.9°180.0°
C8N10C11N12178.0°0.0°
C8N10C11N161.6°179.7°
N10C8C7H3636.5°25.6°
N10C8C7H3586.3°96.6°
N10C8C9H3891.6°96.6°
N10C8C9H3931.7°25.6°
N10C11N12N16179.6°179.7°
N10C11N12C13178.5°179.7°
N10C11N16C15178.7°179.7°
C11N10C8H3738.0°31.5°
C11N12C13C141.2°0.0°
N12C11N16C150.9°0.0°
C11N12C13H41178.9°180.0°
N12C11N10H4056.1°180.0°
N16C11N12C131.1°0.0°
C11N16C15C140.6°0.0°
C11N16C15C19179.5°180.0°
N16C11N10H40123.5°0.3°
N12C13C14H41180.0°180.0°
N12C13C14C151.0°0.0°
N12C13C14C17174.3°180.0°
C13C14C15C17176.0°180.0°
C13C14C15N160.6°0.0°
C13C14C15C19179.7°180.0°
C13C14C17N18178.3°180.0°
C13C14C17H4363.2°60.4°
C13C14C17H4259.9°60.4°
C14C15N16C19178.9°180.0°
C15C14C17N183.0°0.0°
C14C15C19N182.6°0.0°
C15C14C13H41179.1°180.0°
C15C14C17H43121.4°119.6°
C15C14C17H42115.5°119.6°
C14C15C19H44121.0°119.6°
C14C15C19H45115.8°119.6°
C17C14C15N16175.3°180.0°
C17C14C15C193.7°0.0°
C14C17N18H43118.4°119.6°
C14C17N18H42118.4°119.6°
C14C17N18C29178.0°180.0°
C14C17N18C191.2°0.0°
C17C14C13H415.6°0.0°
C14C17H43H42124.5°120.9°
N16C15C19N18176.5°180.0°
N16C15C19H4458.1°60.5°
N16C15C19H4565.1°60.4°
C15C19N18C170.7°0.0°
C15C19N18C29179.8°180.0°
C15C19N18H44118.4°119.5°
C15C19N18H45118.4°119.6°
C15C19H44H45124.6°120.8°
C17N18C29C19179.0°180.0°
C17N18C29C28178.6°180.0°
C17N18C29O301.5°0.0°
N18C17H43H42124.4°120.8°
C17N18C19H44119.1°119.5°
C17N18C19H45117.7°119.6°
N18C29C28O27172.6°180.0°
N18C29C28O30177.1°179.9°
C29N18C17H4359.5°60.4°
C29N18C17H4263.6°60.4°
C29N18C19H4461.8°60.5°
C29N18C19H4561.4°60.4°
N18C29C28H5367.7°60.0°
N18C29C28H5253.0°60.0°
C19N18C29C282.3°0.0°
C19N18C29O30179.5°179.9°
C19N18C17H43119.6°119.6°
C19N18C17H42117.2°119.6°
N18C19H44H45124.6°121.0°
N20N21C22C231.0°0.0°
N21N20N24C230.2°0.4°
N20N21C22H46179.0°179.8°
N21N20N24H47179.8°180.0°
N24N20N21C220.5°0.3°
N20N24C23C220.8°0.4°
N20N24C23H47180.0°179.6°
N20N24C23C25178.1°179.6°
N21C22C23H46180.0°179.8°
N21C22C23N241.0°0.2°
N21C22C23C25177.8°179.7°
C22C23N24C25178.9°180.0°
C22C23C25C26140.6°85.0°
C22C23C25H4898.8°155.0°
C22C23C25H4919.9°35.0°
C22C23N24H47179.2°180.0°
N24C23C25C2638.0°95.0°
N24C23C22H46179.0°180.0°
N24C23C25H4882.6°25.1°
N24C23C25H49158.7°145.0°
C23C25C26H48120.6°120.0°
C23C25C26H49120.6°120.0°
C23C25C26O27116.0°180.0°
C25C23C22H462.2°0.1°
C23C25H48H49118.1°120.0°
C23C25C26H51125.8°60.0°
C23C25C26H502.1°60.0°
C25C23N24H471.9°0.1°
C25C26O27H51118.1°120.0°
C25C26O27H50118.1°120.0°
C25C26O27C28156.5°180.0°
C26C25H48H49118.2°119.9°
C25C26H51H50125.2°120.0°
C26O27C28C29170.9°180.0°
O27C26C25H484.5°59.9°
O27C26C25H49123.3°60.0°
O27C26H51H50125.2°120.0°
C26O27C28H5351.3°60.0°
C26O27C28H5269.5°60.0°
O27C28C29H53119.6°120.1°
O27C28C29H52119.6°120.0°
O27C28C29O304.5°0.1°
C28O27C26H5185.4°60.0°
C28O27C26H5038.3°60.1°
O27C28H53H52121.2°120.0°
C29C28H53H52121.1°119.9°
O30C29C28H53115.2°120.0°
O30C29C28H52124.0°120.1°
H48C25C26H51113.6°180.0°
H48C25C26H50122.7°60.0°
H49C25C26H515.2°60.0°
H49C25C26H50118.5°180.0°
H31C3C4H320.3°0.0°
H32C4C5H330.1°0.0°
H33C5C6H340.3°0.1°
H36C7C8H37153.8°149.2°
H35C7C8H3731.0°27.0°
H37C8C9H3829.4°26.9°
H37C8C9H39152.7°149.1°
H37C8N10H40159.8°148.5°

248335

PDB entries from 2026-01-28

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