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BKJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C33N31sing1.47Å1.47Å
C16C17sing1.53Å1.54Å
C16O15sing1.43Å1.44Å
C17C12sing1.53Å1.53Å
O15C14sing1.43Å1.43Å
N31C32sing1.35Å1.36ÅAromatic
N31N30sing1.40Å1.40ÅAromatic
C32C28doub1.36Å1.37ÅAromatic
C14C13sing1.53Å1.53Å
C12C13sing1.53Å1.53Å
C12N11sing1.46Å1.46Å
C6C7sing1.51Å1.51Å
C6C5sing1.53Å1.53Å
N25C24doub1.31Å1.33ÅAromatic
N25C26sing1.33Å1.34ÅAromatic
O3C2doub1.21Å1.22Å
N30C29doub1.31Å1.31ÅAromatic
N11C7sing1.35Å1.34ÅAromatic
N11N10sing1.40Å1.38ÅAromatic
C28C26sing1.48Å1.50Å
C28C29sing1.41Å1.41ÅAromatic
C7C8doub1.35Å1.35ÅAromatic
C24C23sing1.40Å1.42ÅAromatic
C5N4sing1.47Å1.47Å
C2N4sing1.35Å1.34Å
C2C1sing1.51Å1.51Å
C26C27doub1.38Å1.39ÅAromatic
N10C9doub1.32Å1.30ÅAromatic
N4C34sing1.47Å1.47Å
C8C9sing1.40Å1.41ÅAromatic
C8C34sing1.51Å1.51Å
C9C18sing1.48Å1.47Å
C23C18doub1.41Å1.42ÅAromatic
C23C22sing1.42Å1.41ÅAromatic
C27C22sing1.40Å1.41ÅAromatic
C18C19sing1.38Å1.38ÅAromatic
C22C21doub1.40Å1.41ÅAromatic
C19C20doub1.39Å1.39ÅAromatic
C21C20sing1.36Å1.37ÅAromatic
C14H1sing1.09Å1.10Å
C14H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C12H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C1H10sing1.09Å1.10Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C16H13sing1.09Å1.10Å
C16H14sing1.09Å1.10Å
C17H15sing1.09Å1.10Å
C17H16sing1.09Å1.10Å
C19H17sing1.08Å1.08Å
C20H18sing1.08Å1.08Å
C21H19sing1.08Å1.08Å
C24H20sing1.08Å1.08Å
C27H21sing1.08Å1.08Å
C29H22sing1.08Å1.08Å
C32H23sing1.08Å1.08Å
C33H24sing1.09Å1.10Å
C33H25sing1.09Å1.10Å
C33H26sing1.09Å1.10Å
C34H27sing1.09Å1.10Å
C34H28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C33N31C32126.5°125.9°
C33N31N30125.6°125.9°
N31C33H24109.5°109.4°
N31C33H25109.4°109.5°
N31C33H26109.5°109.5°
C17C16O15109.9°109.4°
C16C17C12108.4°109.2°
C17C16H13109.4°109.5°
C17C16H14109.4°109.5°
C16C17H15109.7°109.5°
C16C17H16109.7°109.5°
C16O15C14114.9°114.1°
O15C16H13109.4°109.5°
O15C16H14109.4°109.5°
C17C12C13110.1°109.0°
C17C12N11110.2°109.6°
C17C12H7109.7°109.6°
C12C17H15109.7°109.5°
C12C17H16109.7°109.5°
O15C14C13105.6°109.4°
O15C14H1110.5°109.5°
O15C14H2110.4°109.5°
C32N31N30107.9°108.2°
N31C32C28108.3°107.6°
N31C32H23125.9°126.2°
N31N30C29108.4°108.6°
C32C28C26127.1°126.3°
C32C28C29106.4°107.5°
C28C32H23125.8°126.2°
C14C13C12108.1°109.2°
C13C14H1110.4°109.5°
C13C14H2110.4°109.5°
C14C13H8109.8°109.5°
C14C13H9109.8°109.5°
C13C12N11106.1°109.6°
C13C12H7109.8°109.5°
C12C13H8109.8°109.5°
C12C13H9109.8°109.5°
C12N11C7127.2°125.9°
C12N11N10123.8°125.9°
N11C12H7110.8°109.6°
C7C6C5109.5°108.8°
C6C7N11125.7°127.6°
C6C7C8126.1°124.5°
C7C6H5109.5°109.6°
C7C6H6109.5°109.6°
C6C5N4112.2°109.1°
C6C5H3108.8°109.5°
C6C5H4108.8°109.6°
C5C6H5109.5°109.6°
C5C6H6109.5°109.6°
C24N25C26122.0°122.6°
N25C24C23121.1°120.3°
N25C24H20119.4°119.9°
N25C26C28120.4°119.3°
N25C26C27120.3°121.4°
O3C2N4119.2°120.0°
O3C2C1120.8°120.0°
N30C29C28109.0°108.1°
N30C29H22125.5°126.0°
C7N11N10109.0°108.1°
N11C7C8108.2°107.9°
N11N10C9107.5°108.2°
C26C28C29126.4°126.2°
C28C26C27119.2°119.3°
C28C29H22125.5°125.9°
C7C8C9106.2°108.2°
C7C8C34124.0°123.9°
C24C23C18123.9°121.9°
C24C23C22118.4°118.9°
C23C24H20119.5°119.8°
C5N4C2119.0°120.8°
C5N4C34120.9°118.3°
N4C5H3108.8°109.5°
N4C5H4108.8°109.5°
N4C2C1119.9°120.0°
C2N4C34120.1°120.8°
C2C1H10109.5°109.5°
C2C1H11109.5°109.5°
C2C1H12109.5°109.5°
C26C27C22120.2°118.5°
C26C27H21119.9°120.8°
N10C9C8109.1°107.7°
N10C9C18120.9°126.1°
N4C34C8106.4°107.3°
N4C34H27110.3°109.9°
N4C34H28110.3°109.9°
C9C8C34129.8°127.9°
C8C9C18130.0°126.2°
C8C34H27110.2°110.0°
C8C34H28110.2°109.9°
C9C18C23118.3°120.4°
C9C18C19119.7°120.4°
C18C23C22117.8°119.2°
C23C18C19122.0°119.3°
C23C22C27117.9°118.3°
C23C22C21119.3°119.7°
C27C22C21122.8°122.0°
C22C27H21119.9°120.7°
C18C19C20119.1°120.8°
C18C19H17120.4°119.6°
C22C21C20121.3°119.9°
C22C21H19119.3°120.1°
C19C20C21120.6°121.1°
C20C19H17120.4°119.6°
C19C20H18119.7°119.4°
C21C20H18119.7°119.5°
C20C21H19119.3°120.0°
H1C14H2109.5°109.4°
H3C5H4109.5°109.6°
H5C6H6109.5°109.7°
H8C13H9109.5°109.6°
H10C1H11109.5°109.5°
H10C1H12109.5°109.4°
H11C1H12109.5°109.4°
H13C16H14109.5°109.5°
H15C17H16109.5°109.6°
H24C33H25109.5°109.5°
H24C33H26109.5°109.5°
H25C33H26109.5°109.5°
H27C34H28109.4°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C33N31C32N30179.8°179.8°
C33N31C32C28180.0°180.0°
C33N31N30C29179.9°179.8°
C33N31C32H230.0°0.1°
N31C33H24H25120.0°120.0°
N31C33H24H26120.0°120.0°
N31C33H25H26120.0°120.0°
C17C16O15H13120.1°120.0°
C17C16O15H14120.1°120.0°
C16C17C12H15119.8°119.9°
C16C17C12H16119.8°119.9°
C17C16O15C1461.3°61.2°
C16C17C12C1355.0°56.9°
C16C17C12N11171.7°176.8°
C16C17C12H766.0°62.9°
C17C16H13H14119.8°120.0°
C16C17H15H16120.5°120.2°
O15C16C17C1252.6°57.6°
C16O15C14C1365.5°61.2°
C16O15C14H1175.2°58.8°
C16O15C14H253.9°178.8°
O15C16H13H14119.8°120.1°
O15C16C17H15172.4°62.3°
O15C16C17H1667.2°177.5°
C17C12C13C1461.2°56.9°
C17C12C13N11119.3°119.9°
C17C12C13H7120.9°119.9°
C17C12N11H7121.6°120.2°
C17C12N11C7143.3°120.4°
C17C12N11N1037.7°59.6°
C17C12C13H858.5°63.0°
C17C12C13H9179.0°176.9°
C12C17C16H13172.7°177.6°
C12C17C16H1467.5°62.4°
C12C17H15H16120.5°120.1°
O15C14C13H1119.4°120.0°
O15C14C13H2119.4°120.0°
O15C14C13C1263.0°57.6°
O15C14H1H2121.8°120.0°
O15C14C13H856.8°62.3°
O15C14C13H9177.2°177.5°
C14O15C16H13178.7°178.9°
C14O15C16H1458.8°58.8°
N31C32C28H23180.0°179.9°
C32N31N30C290.3°0.0°
N31C32C28C26179.7°179.9°
N31C32C28C290.1°0.3°
C32N31C33H24179.8°90.0°
C32N31C33H2560.2°150.0°
C32N31C33H2659.7°30.0°
N30N31C32C280.2°0.2°
N31N30C29C280.2°0.2°
N31N30C29H22179.7°179.8°
N30N31C32H23179.8°179.7°
N30N31C33H240.0°90.2°
N30N31C33H25120.0°29.8°
N30N31C33H26120.0°149.8°
C32C28C26N2510.2°5.5°
C32C28C29N300.1°0.3°
C32C28C26C29179.7°179.6°
C32C28C26C27168.7°175.3°
C32C28C29H22179.9°179.7°
C14C13C12H8119.8°119.9°
C14C13C12H9119.8°119.9°
C14C13C12N11179.5°176.8°
C13C14H1H2121.8°120.0°
C14C13C12H759.7°62.9°
C14C13H8H9120.7°120.2°
C13C12N11H7119.2°120.2°
C13C12N11C797.5°120.0°
C13C12N11N1081.5°60.0°
C12C13C14H1177.6°62.4°
C12C13C14H256.4°177.6°
C12C13H8H9120.7°120.1°
C13C12C17H15174.8°63.0°
C13C12C17H1664.9°176.8°
C12N11C7C61.1°0.3°
C12N11C7N10179.1°180.0°
C12N11C7C8179.6°179.8°
C12N11N10C9179.9°179.8°
N11C12C13H860.7°56.9°
N11C12C13H959.7°63.2°
N11C12C17H1568.5°56.9°
N11C12C17H1651.9°63.2°
C7C6C5H5120.0°119.8°
C7C6C5H6120.0°119.9°
C6C7N11C8179.3°179.9°
C6C7N11N10179.9°179.7°
C7C6C5N434.9°45.4°
C6C7C8C9179.4°179.7°
C6C7C8C341.2°0.6°
C7C6C5H385.5°165.3°
C7C6C5H4155.3°74.4°
C7C6H5H6120.0°120.4°
C5C6C7N11169.6°162.0°
C5C6C7C811.2°18.1°
C6C5N4H3120.4°119.9°
C6C5N4H4120.4°120.0°
C6C5N4C2124.0°115.6°
C6C5N4C3457.0°64.4°
C6C5H3H4118.8°120.3°
C5C6H5H6120.0°120.3°
C24N25C26C28179.3°179.6°
N25C24C23H20180.0°180.0°
C24N25C26C270.4°1.2°
N25C24C23C18179.9°180.0°
N25C24C23C220.2°0.2°
N25C26C28C27178.9°179.2°
N25C26C28C29170.0°174.1°
C26N25C24C230.0°0.9°
N25C26C27C220.5°0.8°
C26N25C24H20180.0°179.1°
N25C26C27H21179.5°179.9°
O3C2N4C52.5°180.0°
O3C2N4C1177.8°180.0°
O3C2N4C34178.5°0.0°
O3C2C1H100.0°120.0°
O3C2C1H11120.0°0.0°
O3C2C1H12120.0°120.0°
N30C29C28C26179.9°179.9°
N30C29C28H22180.0°180.0°
C7N11N10C90.8°0.1°
N11C7C8C90.1°0.2°
N11C7C8C34179.5°179.5°
N11C7C6H549.6°42.3°
N11C7C6H670.4°78.1°
C7N11C12H721.7°0.2°
N10N11C7C80.5°0.2°
N11N10C9C80.8°0.0°
N11N10C9C18179.7°179.9°
N10N11C12H7159.4°179.8°
C28C26C27C22179.5°180.0°
C28C26C27H210.5°0.8°
C26C28C29H220.1°0.1°
C26C28C32H230.3°0.0°
C29C28C26C2711.1°5.1°
C29C28C32H23179.9°179.6°
C7C8C9N100.5°0.1°
C7C8C34N414.8°11.3°
C7C8C9C34179.4°179.7°
C7C8C9C18179.2°179.8°
C8C7C6H5131.2°137.9°
C8C7C6H6108.8°101.8°
C7C8C34H27104.7°108.2°
C7C8C34H28134.4°130.8°
C24C23C18C90.9°0.0°
C24C23C18C22179.7°179.7°
C24C23C22C270.1°0.0°
C24C23C18C19179.9°179.7°
C24C23C22C21179.8°179.7°
C5N4C2C34179.0°180.0°
C5N4C2C1179.6°0.0°
C5N4C34C843.6°44.2°
N4C5H3H4118.8°120.1°
N4C5C6H5154.9°165.2°
N4C5C6H685.1°74.4°
C5N4C34H2775.9°75.3°
C5N4C34H28163.1°163.7°
C2N4C34C8137.5°135.8°
C2N4C5H3115.6°4.4°
C2N4C5H43.7°124.5°
N4C2C1H10177.8°60.0°
N4C2C1H1157.8°180.0°
N4C2C1H1262.2°60.0°
C2N4C34H27103.0°104.7°
C2N4C34H2817.9°16.3°
C1C2N4C340.6°180.0°
C2C1H10H11120.0°120.1°
C2C1H10H12120.0°120.0°
C2C1H11H12120.0°120.0°
C26C27C22C230.3°0.2°
C26C27C22H21180.0°179.1°
C26C27C22C21179.8°180.0°
N10C9C8C18178.8°179.9°
N10C9C8C34178.9°179.6°
N10C9C18C2351.5°47.4°
N10C9C18C19127.5°132.3°
N4C34C8C9165.9°169.0°
N4C34C8H27119.5°119.4°
N4C34C8H28119.5°119.5°
C34N4C5H363.4°175.6°
C34N4C5H4177.4°55.5°
N4C34H27H28121.5°121.1°
C8C9C18C23129.9°132.5°
C8C9C18C1951.1°47.8°
C9C8C34H2774.5°71.5°
C9C8C34H2846.4°49.5°
C34C8C9C180.1°0.5°
C8C34H27H28121.4°121.1°
C9C18C23C19179.0°179.7°
C9C18C23C22179.4°179.7°
C9C18C19C20179.3°180.0°
C9C18C19H170.7°0.0°
C18C23C22C27179.8°179.7°
C18C23C22C210.1°0.6°
C23C18C19C200.3°0.3°
C23C18C19H17179.7°179.7°
C18C23C24H200.1°0.0°
C23C22C27C21179.9°179.8°
C22C23C18C190.4°0.6°
C23C22C21C200.3°0.2°
C23C22C21H19179.7°179.8°
C22C23C24H20179.8°179.7°
C23C22C27H21179.7°179.3°
C27C22C21C20179.8°180.0°
C27C22C21H190.2°0.0°
C18C19C20H17180.0°179.9°
C18C19C20C210.1°0.1°
C18C19C20H18179.9°180.0°
C22C21C20C190.4°0.1°
C22C21C20H19180.0°180.0°
C22C21C20H18179.6°180.0°
C21C22C27H210.2°0.9°
C19C20C21H18180.0°180.0°
C19C20C21H19179.6°179.9°
C21C20C19H17179.9°180.0°
H1C14C13H862.6°177.7°
H1C14C13H957.8°57.5°
H2C14C13H8176.2°57.7°
H2C14C13H963.4°62.5°
H3C5C6H534.5°74.9°
H3C5C6H6154.5°45.5°
H4C5C6H584.7°45.4°
H4C5C6H635.3°165.7°
H7C12C13H8179.4°177.1°
H7C12C13H960.1°57.0°
H7C12C17H1553.8°177.2°
H7C12C17H16174.2°57.0°
H10C1H11H12120.0°120.0°
H13C16C17H1567.5°57.7°
H13C16C17H1652.9°62.5°
H14C16C17H1552.4°177.8°
H14C16C17H16172.7°57.5°
H17C19C20H180.1°0.0°
H18C20C21H190.4°0.1°
H24C33H25H26120.0°120.0°

219869

PDB entries from 2024-05-15

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