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A1IRY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C19doub0.00Å1.27Å
O2FEsing0.00Å2.05Å
O3N13sing0.00Å1.37Å
O3FEsing0.00Å1.96Å
O4C21sing0.00Å1.32Å
O4FEsing0.00Å1.93Å
O5N14sing0.00Å1.37Å
O5FEsing0.00Å1.97Å
O6C22doub0.00Å1.28Å
O6FEsing0.00Å2.06Å
O7C18sing0.00Å1.35Å
O7C20sing0.00Å1.47Å
O8C24doub0.00Å1.23Å
O9C41sing0.00Å1.34Å
O9C45sing0.00Å1.47Å
O10C37doub0.00Å1.23Å
O11C41doub0.00Å1.21Å
N12C17sing0.00Å1.49Å
N12C18doub0.00Å1.29Å
N12FEsing0.00Å2.12Å
N13C19sing0.00Å1.31Å
N13C27sing0.00Å1.48Å
N14C22sing0.00Å1.37Å
N14C29sing0.00Å1.53Å
N15C24sing0.00Å1.34Å
N15C33sing0.00Å1.45Å
N16C25sing0.00Å1.45Å
N16C37sing0.00Å1.34Å
C17C20sing0.00Å1.55Å
C17C24sing0.00Å1.53Å
C18C23sing0.00Å1.46Å
C19C25sing0.00Å1.52Å
C21C23sing0.00Å1.40ÅAromatic
C21C28doub0.00Å1.39ÅAromatic
C22C30sing0.00Å1.48Å
C23C26doub0.00Å1.39ÅAromatic
C25C32sing0.00Å1.54Å
C26C34sing0.00Å1.39ÅAromatic
C27C36sing0.00Å1.51Å
C28C35sing0.00Å1.38ÅAromatic
C29C39sing0.00Å1.51Å
C30C49doub0.00Å1.33Å
C32C38sing0.00Å1.52Å
C33C41sing0.00Å1.52Å
C33C43sing0.00Å1.54Å
C34C35doub0.00Å1.38ÅAromatic
C36C38sing0.00Å1.51Å
C37C42sing0.00Å1.51Å
C39C44sing0.00Å1.52Å
C42C45sing0.00Å1.52Å
C43C44sing0.00Å1.53Å
C45C48sing0.00Å1.51Å
C49C50sing0.00Å1.49Å
C50C51sing0.00Å1.53Å
C51C52sing0.00Å1.52Å
C52C53sing0.00Å1.53Å
C53C54sing0.00Å1.52Å
C54C55sing0.00Å1.52Å
C55C56sing0.00Å1.52Å
C56C57sing0.00Å1.52Å
C57C58sing0.00Å1.52Å
C58C59sing0.00Å1.52Å
C59C60sing0.00Å1.52Å
C60C61sing0.00Å1.52Å
C61C62sing0.00Å1.52Å
C62C63sing0.00Å1.53Å
C63C64sing0.00Å1.52Å
C64C65sing0.00Å1.52Å
C65C66sing0.00Å1.49Å
C17H63sing0.00Å1.10Å
C20H41sing0.00Å1.10Å
C20H64sing0.00Å1.10Å
C25H65sing0.00Å1.10Å
C26H66sing0.00Å1.08Å
C27H74sing0.00Å1.10Å
C27H75sing0.00Å1.10Å
C28H76sing0.00Å1.08Å
C29H77sing0.00Å1.10Å
C29H78sing0.00Å1.10Å
C30H01sing0.00Å1.08Å
C32H79sing0.00Å1.10Å
C32H80sing0.00Å1.10Å
C33H69sing0.00Å1.10Å
C34H81sing0.00Å1.08Å
C35H82sing0.00Å1.08Å
C36H83sing0.00Å1.10Å
C36H84sing0.00Å1.10Å
C38H85sing0.00Å1.10Å
C38H86sing0.00Å1.10Å
C39H87sing0.00Å1.10Å
C39H88sing0.00Å1.10Å
C42H70sing0.00Å1.10Å
C42H44sing0.00Å1.10Å
C43H89sing0.00Å1.10Å
C43H90sing0.00Å1.10Å
C44H91sing0.00Å1.10Å
C44H92sing0.00Å1.10Å
C45H71sing0.00Å1.10Å
C48H93sing0.00Å1.10Å
C48H94sing0.00Å1.10Å
C48H46sing0.00Å1.10Å
C49H02sing0.00Å1.08Å
C50H5sing0.00Å1.10Å
C50H6sing0.00Å1.10Å
C51H9sing0.00Å1.10Å
C51H8sing0.00Å1.10Å
C52H11sing0.00Å1.10Å
C52H10sing0.00Å1.10Å
C53H12sing0.00Å1.10Å
C53H13sing0.00Å1.10Å
C54H14sing0.00Å1.10Å
C54H15sing0.00Å1.10Å
C55H17sing0.00Å1.10Å
C55H16sing0.00Å1.10Å
C56H19sing0.00Å1.10Å
C56H18sing0.00Å1.10Å
C57H21sing0.00Å1.10Å
C57H20sing0.00Å1.10Å
C58H22sing0.00Å1.10Å
C58H23sing0.00Å1.10Å
C59H24sing0.00Å1.10Å
C59H25sing0.00Å1.10Å
C60H26sing0.00Å1.10Å
C60H27sing0.00Å1.10Å
C61H28sing0.00Å1.10Å
C61H29sing0.00Å1.10Å
C62H31sing0.00Å1.10Å
C62H30sing0.00Å1.10Å
C63H33sing0.00Å1.10Å
C63H32sing0.00Å1.10Å
C64H35sing0.00Å1.10Å
C64H34sing0.00Å1.10Å
C65H36sing0.00Å1.10Å
C65H37sing0.00Å1.10Å
C66H38sing0.00Å1.10Å
C66H40sing0.00Å1.10Å
C66H39sing0.00Å1.10Å
N15H67sing0.00Å1.00Å
N16H68sing0.00Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C19O2FE105.2°90.0°
O2C19N13118.9°90.0°
O2C19C25116.1°90.0°
O2FEO380.5°90.0°
O2FEO4159.7°90.0°
O2FEO599.9°90.0°
O2FEO689.4°90.0°
O2FEN1291.2°90.0°
N13O3FE100.3°90.0°
O3N13C19112.6°90.0°
O3N13C27110.1°90.0°
O3FEO479.2°90.0°
O3FEO5176.0°90.0°
O3FEO694.3°90.0°
O3FEN1291.1°90.0°
C21O4FE126.1°90.0°
O4C21C23123.1°90.0°
O4C21C28118.3°90.0°
O4FEO5100.3°90.0°
O4FEO691.3°90.0°
O4FEN1290.0°90.0°
N14O5FE102.2°90.0°
O5N14C22110.7°90.0°
O5N14C29112.6°90.0°
O5FEO681.8°90.0°
O5FEN1292.8°90.0°
C22O6FE100.1°90.0°
O6C22N14125.4°90.0°
O6C22C30120.2°90.0°
O6FEN12174.6°90.0°
C18O7C20105.6°90.0°
O7C18N12117.3°90.0°
O7C18C23115.7°90.0°
O7C20C17104.3°90.0°
O7C20H41110.8°90.0°
O7C20H64110.8°90.0°
O8C24N15123.0°90.0°
O8C24C17121.2°90.0°
C41O9C45117.8°90.0°
O9C41O11124.4°90.0°
O9C41C33111.0°90.0°
O9C45C42106.9°90.0°
O9C45C48109.0°90.0°
O9C45H71109.7°90.0°
O10C37N16122.6°90.0°
O10C37C42121.4°90.0°
O11C41C33124.5°90.0°
C17N12C18106.9°90.0°
C17N12FE132.2°90.0°
N12C17C20101.5°90.0°
N12C17C24115.4°90.0°
N12C17H63108.9°90.0°
C18N12FE120.9°90.0°
N12C18C23127.0°90.0°
C19N13C27122.5°90.0°
N13C19C25114.7°90.0°
N13C27C36113.2°90.0°
N13C27H74108.5°90.0°
N13C27H75108.5°90.0°
C22N14C29136.7°90.0°
N14C22C30114.4°90.0°
N14C29C39112.6°90.0°
N14C29H77108.7°90.0°
N14C29H78108.7°90.0°
C24N15C33121.6°90.0°
N15C24C17115.8°90.0°
C24N15H67119.2°90.0°
N15C33C41111.7°90.0°
N15C33C43112.6°90.0°
N15C33H69107.7°90.0°
C33N15H67119.2°90.0°
C25N16C37122.5°90.0°
N16C25C19106.9°90.0°
N16C25C32110.4°90.0°
N16C25H65108.8°90.0°
C25N16H68118.7°90.0°
N16C37C42115.9°90.0°
C37N16H68118.8°90.0°
C20C17C24114.2°90.0°
C20C17H63108.2°90.0°
C17C20H41110.7°90.0°
C17C20H64110.7°90.0°
C24C17H63108.4°90.0°
C18C23C21122.6°90.0°
C18C23C26119.0°90.0°
C19C25C32114.8°90.0°
C19C25H65108.0°90.0°
C23C21C28118.6°90.0°
C21C23C26118.4°90.0°
C21C28C35119.4°90.0°
C21C28H76120.3°90.0°
C22C30C49116.0°90.0°
C22C30H01122.0°90.0°
C23C26C34119.4°90.0°
C23C26H66120.3°90.0°
C25C32C38114.0°90.0°
C32C25H65107.8°90.0°
C25C32H79108.3°90.0°
C25C32H80108.3°90.0°
C26C34C35120.4°90.0°
C34C26H66120.3°90.0°
C26C34H81119.8°90.0°
C27C36C38114.5°90.0°
C36C27H74108.5°90.0°
C36C27H75108.5°90.0°
C27C36H83108.2°90.0°
C27C36H84108.2°90.0°
C28C35C34120.0°90.0°
C35C28H76120.3°90.0°
C28C35H82120.0°90.0°
C29C39C44116.4°90.0°
C39C29H77108.7°90.0°
C39C29H78108.7°90.0°
C29C39H87107.7°90.0°
C29C39H88107.7°90.0°
C30C49C50124.2°90.0°
C49C30H01122.0°90.0°
C30C49H02117.9°90.0°
C32C38C36114.4°90.0°
C38C32H79108.3°90.0°
C38C32H80108.3°90.0°
C32C38H85108.2°90.0°
C32C38H86108.2°90.0°
C41C33C43110.9°90.0°
C41C33H69106.8°90.0°
C33C43C44117.8°90.0°
C43C33H69106.7°90.0°
C33C43H89107.4°90.0°
C33C43H90107.4°90.0°
C35C34H81119.8°90.0°
C34C35H82120.0°90.0°
C38C36H83108.2°90.0°
C38C36H84108.2°90.0°
C36C38H85108.2°90.0°
C36C38H86108.2°90.0°
C37C42C45113.2°90.0°
C37C42H70108.5°90.0°
C37C42H44108.5°90.0°
C39C44C43115.4°90.0°
C44C39H87107.7°90.0°
C44C39H88107.7°90.0°
C39C44H91108.0°90.0°
C39C44H92108.0°90.0°
C42C45C48113.1°90.0°
C45C42H70108.6°90.0°
C45C42H44108.5°90.0°
C42C45H71109.0°90.0°
C44C43H89107.3°90.0°
C44C43H90107.3°90.0°
C43C44H91108.0°90.0°
C43C44H92108.0°90.0°
C48C45H71109.1°90.0°
C45C48H93109.5°90.0°
C45C48H94109.5°90.0°
C45C48H46109.5°90.0°
C49C50C51111.1°90.0°
C50C49H02117.9°90.0°
C49C50H5109.1°90.0°
C49C50H6109.1°90.0°
C50C51C52112.9°90.0°
C51C50H5109.1°90.0°
C51C50H6109.1°90.0°
C50C51H9108.6°90.0°
C50C51H8108.6°90.0°
C51C52C53116.5°90.0°
C52C51H9108.6°90.0°
C52C51H8108.6°90.0°
C51C52H11107.7°90.0°
C51C52H10107.7°90.0°
C52C53C54116.0°90.0°
C53C52H11107.7°90.0°
C53C52H10107.7°90.0°
C52C53H12107.8°90.0°
C52C53H13107.9°90.0°
C53C54C55115.4°90.0°
C54C53H12107.8°90.0°
C54C53H13107.8°90.0°
C53C54H14108.0°90.0°
C53C54H15108.0°90.0°
C54C55C56111.8°90.0°
C55C54H14108.0°90.0°
C55C54H15108.0°90.0°
C54C55H17108.9°90.0°
C54C55H16108.9°90.0°
C55C56C57118.7°90.0°
C56C55H17108.9°90.0°
C56C55H16108.9°90.0°
C55C56H19107.1°90.0°
C55C56H18107.1°90.0°
C56C57C58113.4°90.0°
C57C56H19107.1°90.0°
C57C56H18107.1°90.0°
C56C57H21108.5°90.0°
C56C57H20108.5°90.0°
C57C58C59114.4°90.0°
C58C57H21108.5°90.0°
C58C57H20108.5°90.0°
C57C58H22108.2°90.0°
C57C58H23108.2°90.0°
C58C59C60111.0°90.0°
C59C58H22108.2°90.0°
C59C58H23108.2°90.0°
C58C59H24109.1°90.0°
C58C59H25109.1°90.0°
C59C60C61114.9°90.0°
C60C59H24109.1°90.0°
C60C59H25109.1°90.0°
C59C60H26108.1°90.0°
C59C60H27108.1°90.0°
C60C61C62113.4°90.0°
C61C60H26108.1°90.0°
C61C60H27108.1°90.0°
C60C61H28108.4°90.0°
C60C61H29108.5°90.0°
C61C62C63115.6°90.0°
C62C61H28108.5°90.0°
C62C61H29108.5°90.0°
C61C62H31107.9°90.0°
C61C62H30107.9°90.0°
C62C63C64114.8°90.0°
C63C62H31107.9°90.0°
C63C62H30107.9°90.0°
C62C63H33108.1°90.0°
C62C63H32108.1°90.0°
C63C64C65117.1°90.0°
C64C63H33108.1°90.0°
C64C63H32108.1°90.0°
C63C64H35107.5°90.0°
C63C64H34107.5°90.0°
C64C65C66115.3°90.0°
C65C64H35107.5°90.0°
C65C64H34107.5°90.0°
C64C65H36108.0°90.0°
C64C65H37108.0°90.0°
C66C65H36108.0°90.0°
C66C65H37108.0°90.0°
C65C66H38109.5°90.0°
C65C66H40109.5°90.0°
C65C66H39109.4°90.0°
H41C20H64109.5°90.0°
H74C27H75109.5°90.0°
H77C29H78109.5°90.0°
H79C32H80109.5°90.0°
H83C36H84109.5°90.0°
H85C38H86109.5°90.0°
H87C39H88109.5°90.0°
H70C42H44109.5°90.0°
H89C43H90109.5°90.0°
H91C44H92109.5°90.0°
H93C48H94109.5°90.0°
H93C48H46109.4°90.0°
H94C48H46109.5°90.0°
H5C50H6109.5°90.0°
H9C51H8109.5°90.0°
H11C52H10109.5°90.0°
H12C53H13109.5°90.0°
H14C54H15109.5°90.0°
H17C55H16109.5°90.0°
H19C56H18109.5°90.0°
H21C57H20109.5°90.0°
H22C58H23109.5°90.0°
H24C59H25109.5°90.0°
H26C60H27109.5°90.0°
H28C61H29109.5°90.0°
H31C62H30109.5°90.0°
H33C63H32109.5°90.0°
H35C64H34109.5°90.0°
H36C65H37109.5°90.0°
H38C66H40109.4°90.0°
H38C66H39109.5°90.0°
H40C66H39109.5°90.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C19N13O339.5°90.0°
C19O2FEO319.2°90.0°
C19O2FEO416.9°90.0°
C19O2FEO5156.8°90.0°
C19O2FEO675.3°90.0°
C19O2FEN12110.1°90.0°
O2C19N13C25143.9°90.0°
O2C19N13C27174.4°90.0°
O2C19C25N1615.8°90.0°
O2C19C25C32107.1°90.0°
O2C19C25H65132.7°90.0°
O2FEO3N1335.9°90.0°
O2FEO3O4179.2°90.0°
O2FEO3O596.8°90.0°
O2FEO3O688.7°90.0°
O2FEO3N1291.1°90.0°
O2FEO4C2163.0°90.0°
O2FEO4O5173.7°90.0°
O2FEO4O691.9°90.0°
O2FEO4N1293.4°90.0°
O2FEO5N1449.0°90.0°
O2FEO5O688.0°90.0°
O2FEO5N1291.7°90.0°
O2FEO6C2271.7°90.0°
O2FEO6N1297.1°90.0°
O2FEN12C1741.5°90.0°
O2FEN12C18138.0°90.0°
FEO2C19N134.6°90.0°
FEO2C19C25148.1°90.0°
N13O3FEO4143.3°90.0°
N13O3FEO560.9°90.0°
N13O3FEO652.8°90.0°
N13O3FEN12127.0°90.0°
O3N13C19C27134.9°90.0°
O3N13C19C25176.6°90.0°
O3N13C27C36133.7°90.0°
O3N13C27H7413.2°90.0°
O3N13C27H75105.7°90.0°
O3FEO4C2160.8°90.0°
O3FEO4O5176.0°90.0°
O3FEO4O694.1°90.0°
O3FEO4N1291.2°90.0°
O3FEO5N1447.1°90.0°
O3FEO5O68.2°90.0°
O3FEO5N12172.1°90.0°
O3FEO6C22152.1°90.0°
O3FEO6N12177.5°90.0°
O3FEN12C17122.0°90.0°
O3FEN12C1857.5°90.0°
FEO3N13C1950.7°90.0°
FEO3N13C27168.8°90.0°
C21O4FEO5123.2°90.0°
C21O4FEO6154.9°90.0°
C21O4FEN1230.4°90.0°
O4C21C23C1823.8°90.0°
O4C21C23C28178.7°90.0°
O4C21C23C26155.4°90.0°
O4C21C28C35159.0°90.0°
O4C21C28H7620.9°90.0°
O4FEO5N14128.8°90.0°
O4FEO5O689.8°90.0°
O4FEO5N1290.5°90.0°
O4FEO6C22128.7°90.0°
O4FEO6N12103.2°90.0°
O4FEN12C17158.8°90.0°
O4FEN12C1821.7°90.0°
FEO4C21C2336.5°90.0°
FEO4C21C28144.8°90.0°
O5N14C22O620.0°90.0°
N14O5FEO639.0°90.0°
N14O5FEN12140.7°90.0°
O5N14C22C29177.5°90.0°
O5N14C22C30160.7°90.0°
O5N14C29C3925.6°90.0°
O5N14C29H77146.1°90.0°
O5N14C29H7894.9°90.0°
O5FEO6C2228.5°90.0°
O5FEO6N123.0°90.0°
O5FEN12C1758.6°90.0°
O5FEN12C18121.9°90.0°
FEO5N14C2241.8°90.0°
FEO5N14C29136.3°90.0°
C22O6FEN1225.5°90.0°
O6C22N14C30179.3°90.0°
O6C22N14C29157.5°90.0°
O6C22C30C490.2°90.0°
O6C22C30H01179.8°90.0°
O6FEN12C1755.6°90.0°
O6FEN12C18124.9°90.0°
FEO6C22N1413.1°90.0°
FEO6C22C30166.1°90.0°
O7C18N12C1717.3°90.0°
O7C18N12C23178.3°90.0°
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H22C58C59H2512.8°90.0°
H23C58C59H24109.1°90.0°
H23C58C59H25131.3°90.0°
H24C59C60H26175.9°90.0°
H24C59C60H2757.4°90.0°
H25C59C60H2664.6°90.0°
H25C59C60H27177.0°90.0°
H26C60C61H28168.1°90.0°
H26C60C61H2949.3°90.0°
H27C60C61H2873.4°90.0°
H27C60C61H29167.7°90.0°
H28C61C62H3173.0°90.0°
H28C61C62H30168.8°90.0°
H29C61C62H3145.9°90.0°
H29C61C62H3072.3°90.0°
H31C62C63H3370.7°90.0°
H31C62C63H32170.8°90.0°
H30C62C63H3347.5°90.0°
H30C62C63H3271.0°90.0°
H33C63C64H35115.3°90.0°
H33C63C64H342.5°90.0°
H32C63C64H35126.2°90.0°
H32C63C64H34115.9°90.0°
H35C64C65H3675.5°90.0°
H35C64C65H37166.2°90.0°
H34C64C65H3642.3°90.0°
H34C64C65H3776.0°90.0°
H36C65C66H3859.2°90.0°
H36C65C66H40179.2°90.0°
H36C65C66H3960.8°90.0°
H37C65C66H3859.1°90.0°
H37C65C66H4060.9°90.0°
H37C65C66H39179.2°90.0°
H38C66H40H39120.0°90.0°

247947

PDB entries from 2026-01-21

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