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KB2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C6doub1.39Å1.35ÅAromatic
C1N2sing1.31Å1.32ÅAromatic
C1H1sing1.08Å1.08Å
N2C3doub1.34Å1.37ÅAromatic
C3C4sing1.42Å1.43ÅAromatic
C3C10sing1.41Å1.41ÅAromatic
C5C4doub1.41Å1.39ÅAromatic
C4C7sing1.40Å1.41ÅAromatic
C6C5sing1.37Å1.37ÅAromatic
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7C8doub1.36Å1.39ÅAromatic
C7H7sing1.08Å1.08Å
C9C8sing1.39Å1.41ÅAromatic
C8C11sing1.51Å1.55Å
C10C9doub1.36Å1.39ÅAromatic
C9H9sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C11N12sing1.47Å1.55Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
N12C13sing1.47Å1.49Å
N12HN12sing1.01Å1.00Å
C27C13sing1.53Å1.56Å
C13C14sing1.51Å1.55Å
C13C30sing1.53Å1.56Å
N15C14sing1.34Å1.37ÅAromatic
C14C18doub1.35Å1.34ÅAromatic
N15N16doub1.29Å1.28ÅAromatic
N16N17sing1.29Å1.29ÅAromatic
N17C18sing1.35Å1.35ÅAromatic
N17C19sing1.46Å1.48Å
C18H18sing1.08Å1.08Å
C19C23sing1.53Å1.50Å
C19C20sing1.51Å1.53Å
C19H19sing1.09Å1.10Å
C20O21doub1.21Å1.24Å
C20C22sing1.51Å1.47Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C22H22Bsing1.09Å1.10Å
C24C23sing1.53Å1.55Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C25C24sing1.53Å1.53Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C25C26sing1.53Å1.54Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C26H26Bsing1.09Å1.10Å
C28C27sing1.53Å1.50Å
C27C29sing1.53Å1.56Å
C27H27sing1.09Å1.10Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C28H28Bsing1.09Å1.10Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C29H29Bsing1.09Å1.10Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
C30H30Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C1N2120.1°121.8°
C6C1H1119.9°119.1°
C1C6C5123.1°119.9°
C1C6H6118.4°120.0°
N2C1H1120.0°119.1°
C1N2C3120.5°121.3°
N2C3C4120.7°119.8°
N2C3C10118.8°121.1°
C4C3C10120.4°119.1°
C3C4C5117.1°119.0°
C3C4C7118.0°119.6°
C3C10C9120.4°119.8°
C3C10H10119.8°120.1°
C5C4C7124.8°121.4°
C4C5C6118.3°118.1°
C4C5H5120.8°120.9°
C4C7C8121.0°119.6°
C4C7H7119.5°120.2°
C6C5H5120.8°120.9°
C5C6H6118.5°120.1°
C8C7H7119.5°120.2°
C7C8C9120.5°120.9°
C7C8C11119.9°119.6°
C9C8C11119.6°119.5°
C8C9C10119.6°121.0°
C8C9H9120.2°119.5°
C8C11N12107.9°109.5°
C8C11H11110.0°109.5°
C8C11H11A110.0°109.4°
C10C9H9120.2°119.5°
C9C10H10119.8°120.1°
N12C11H11110.0°109.5°
N12C11H11A110.0°109.5°
C11N12C13116.7°111.0°
C11N12HN12107.1°111.0°
H11C11H11A108.9°109.5°
C13N12HN12107.1°111.0°
N12C13C27107.5°109.5°
N12C13C14107.1°109.5°
N12C13C30109.3°109.5°
C27C13C14109.7°109.5°
C27C13C30111.3°109.4°
C13C27C28115.6°109.4°
C13C27C29111.8°109.5°
C13C27H27103.5°109.5°
C14C13C30111.9°109.5°
C13C14N15119.0°126.8°
C13C14C18132.5°126.7°
C13C30H30109.5°109.5°
C13C30H30A109.5°109.5°
C13C30H30B109.5°109.5°
N15C14C18108.5°106.5°
C14N15N16108.5°108.9°
C14C18N17102.5°106.2°
C14C18H18128.7°126.9°
N15N16N17107.1°110.2°
N16N17C18113.3°108.2°
N16N17C19117.7°125.9°
C18N17C19128.8°125.8°
N17C18H18128.8°126.9°
N17C19C23112.0°109.5°
N17C19C20112.4°109.5°
N17C19H19107.0°109.5°
C23C19C20113.0°109.5°
C23C19H19106.2°109.4°
C19C23C24108.8°109.5°
C19C23H23109.7°109.5°
C19C23H23A109.7°109.4°
C20C19H19105.8°109.4°
C19C20O21121.3°120.0°
C19C20C22120.0°120.1°
O21C20C22118.6°120.0°
C20C22H22109.5°109.5°
C20C22H22A109.5°109.5°
C20C22H22B109.4°109.5°
H22C22H22A109.5°109.4°
H22C22H22B109.4°109.4°
H22AC22H22B109.5°109.5°
C24C23H23109.7°109.5°
C24C23H23A109.7°109.5°
C23C24C25113.8°109.5°
C23C24H24108.1°109.5°
C23C24H24A108.0°109.4°
H23C23H23A109.3°109.4°
C25C24H24108.1°109.4°
C25C24H24A108.1°109.5°
C24C25C26114.2°109.5°
C24C25H25107.9°109.5°
C24C25H25A107.9°109.5°
H24C24H24A110.9°109.5°
C26C25H25107.9°109.4°
C26C25H25A107.9°109.4°
C25C26H26109.5°109.5°
C25C26H26A109.5°109.5°
C25C26H26B109.5°109.5°
H25C25H25A111.0°109.5°
H26C26H26A109.5°109.4°
H26C26H26B109.5°109.5°
H26AC26H26B109.4°109.4°
C28C27C29110.2°109.5°
C28C27H27105.4°109.5°
C27C28H28109.5°109.5°
C27C28H28A109.5°109.4°
C27C28H28B109.4°109.5°
C29C27H27109.8°109.5°
C27C29H29109.5°109.5°
C27C29H29A109.4°109.5°
C27C29H29B109.4°109.4°
H28C28H28A109.5°109.5°
H28C28H28B109.4°109.5°
H28AC28H28B109.5°109.4°
H29C29H29A109.5°109.5°
H29C29H29B109.5°109.4°
H29AC29H29B109.5°109.4°
H30C30H30A109.5°109.5°
H30C30H30B109.5°109.5°
H30AC30H30B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C1N2H1180.0°179.7°
C6C1N2C30.2°0.1°
C1C6C5C42.1°0.0°
C1C6C5H6180.0°180.0°
C1C6C5H5177.9°180.0°
C1N2C3C43.4°0.1°
C1N2C3C10179.5°180.0°
N2C1C6C50.9°0.0°
N2C1C6H6179.1°180.0°
H1C1N2C3179.8°179.8°
H1C1C6C5179.1°179.7°
H1C1C6H60.9°0.3°
N2C3C4C10176.0°179.9°
N2C3C4C56.2°0.1°
N2C3C4C7176.6°180.0°
N2C3C10C9176.4°180.0°
N2C3C10H103.6°0.0°
C3C4C5C7176.9°179.9°
C3C4C5C65.4°0.0°
C3C4C5H5174.6°180.0°
C3C4C7C82.0°0.0°
C3C4C7H7178.0°180.0°
C4C3C10C90.4°0.1°
C4C3C10H10179.6°179.9°
C10C3C4C5177.8°180.0°
C10C3C4C70.7°0.1°
C3C10C9C81.4°0.1°
C3C10C9H10180.0°179.9°
C3C10C9H9178.7°180.0°
C4C5C6H5180.0°180.0°
C4C5C6H6177.9°180.0°
C5C4C7C8179.0°180.0°
C5C4C7H71.1°0.1°
C7C4C5C6177.6°179.9°
C7C4C5H52.3°0.1°
C4C7C8H7180.0°180.0°
C4C7C8C93.1°0.0°
C4C7C8C11174.6°180.0°
H5C5C6H62.1°0.0°
C7C8C9C11177.7°180.0°
C7C8C9C102.7°0.0°
C7C8C9H9177.3°180.0°
C7C8C11N1250.2°90.0°
C7C8C11H11170.2°150.0°
C7C8C11H11A69.8°30.0°
H7C7C8C9176.9°180.0°
H7C7C8C115.4°0.0°
C8C9C10H9180.0°179.9°
C8C9C10H10178.6°180.0°
C9C8C11N12127.5°90.0°
C9C8C11H117.5°30.0°
C9C8C11H11A112.5°150.0°
C11C8C9C10175.0°179.9°
C11C8C9H95.0°0.0°
C8C11N12H11120.0°120.0°
C8C11N12H11A120.0°119.9°
C8C11H11H11A120.6°120.0°
C8C11N12C13149.3°180.0°
C8C11N12HN1290.7°56.0°
H9C9C10H101.4°0.0°
N12C11H11H11A120.7°120.0°
C11N12C13HN12120.0°124.0°
C11N12C13C27178.0°60.0°
C11N12C13C1460.2°180.0°
C11N12C13C3061.1°60.0°
H11C11N12C1329.3°60.0°
H11C11N12HN12149.3°176.0°
H11AC11N12C1390.7°60.0°
H11AC11N12HN1229.3°63.9°
N12C13C27C14116.1°120.0°
N12C13C27C30119.6°120.0°
N12C13C14C30119.7°120.0°
N12C13C14N1553.9°119.7°
N12C13C14C18129.2°60.0°
N12C13C27C2863.0°65.0°
N12C13C27C29169.8°175.0°
N12C13C27H2751.7°54.9°
N12C13C30H30180.0°60.0°
N12C13C30H30A60.0°180.0°
N12C13C30H30B60.0°60.0°
HN12N12C13C2762.0°64.0°
HN12N12C13C14179.8°56.0°
HN12N12C13C3058.9°176.1°
C27C13C14C30124.0°120.0°
C27C13C14N1562.4°0.3°
C27C13C14C18114.5°180.0°
C13C27C28C29128.0°120.0°
C13C27C28H27113.7°120.0°
C13C27C29H27114.3°120.0°
C13C27C28H28180.0°60.0°
C13C27C28H28A60.0°180.0°
C13C27C28H28B60.0°60.1°
C13C27C29H29180.0°60.0°
C13C27C29H29A60.0°179.9°
C13C27C29H29B60.0°60.0°
C27C13C30H3061.4°60.0°
C27C13C30H30A178.5°60.0°
C27C13C30H30B58.6°180.0°
C13C14N15C18177.6°179.7°
C13C14N15N16179.4°180.0°
C13C14C18N17177.5°179.9°
C13C14C18H182.6°0.0°
C14C13C27C28179.1°55.0°
C14C13C27C2953.8°65.0°
C14C13C27H2764.3°175.0°
C14C13C30H3061.6°180.0°
C14C13C30H30A58.4°60.0°
C14C13C30H30B178.4°60.0°
C30C13C14N15173.6°120.3°
C30C13C14C189.4°60.0°
C30C13C27C2856.6°175.0°
C30C13C27C2970.6°55.0°
C30C13C27H27171.3°65.0°
C13C30H30H30A120.0°120.0°
C13C30H30H30B120.0°120.0°
C13C30H30AH30B120.0°120.0°
C14N15N16N172.5°0.0°
N15C14C18N170.3°0.4°
N15C14C18H18179.7°179.7°
C18C14N15N161.7°0.3°
C14C18N17N161.3°0.4°
C14C18N17H18180.0°179.9°
C14C18N17C19176.5°179.8°
N15N16N17C182.4°0.2°
N15N16N17C19178.2°180.0°
N16N17C18C19175.2°179.8°
N16N17C18H18178.7°179.8°
N16N17C19C23140.0°95.0°
N16N17C19C2091.6°144.9°
N16N17C19H1924.1°24.9°
C18N17C19C2335.0°84.7°
C18N17C19C2093.4°35.3°
C18N17C19H19151.0°155.3°
C19N17C18H183.5°0.1°
N17C19C23C20128.1°120.1°
N17C19C23H19116.4°120.0°
N17C19C20H19116.4°120.0°
N17C19C20O21133.6°25.0°
N17C19C20C2242.0°155.0°
N17C19C23C2467.7°175.0°
N17C19C23H2352.3°54.9°
N17C19C23H23A172.3°65.0°
C23C19C20H19115.8°119.9°
C23C19C20O2198.5°95.1°
C23C19C20C2285.8°85.0°
C19C23C24H23120.0°120.1°
C19C23C24H23A120.0°120.0°
C19C23H23H23A120.3°120.0°
C19C23C24C2567.4°180.0°
C19C23C24H2452.6°60.0°
C19C23C24H24A172.6°60.0°
C19C20O21C22175.7°180.0°
C19C20C22H22175.7°0.0°
C19C20C22H22A64.3°119.9°
C19C20C22H22B55.7°120.0°
C20C19C23C24164.2°65.0°
C20C19C23H2375.8°175.0°
C20C19C23H23A44.3°55.1°
H19C19C20O2117.2°145.0°
H19C19C20C22158.4°34.9°
H19C19C23C2448.7°54.9°
H19C19C23H23168.7°65.1°
H19C19C23H23A71.3°175.0°
O21C20C22H220.0°180.0°
O21C20C22H22A120.0°60.1°
O21C20C22H22B120.0°60.0°
C20C22H22H22A120.0°120.0°
C20C22H22H22B120.0°120.0°
C20C22H22AH22B120.0°120.1°
H22C22H22AH22B120.0°120.0°
C24C23H23H23A120.3°120.0°
C23C24C25H24120.0°120.0°
C23C24C25H24A120.0°120.0°
C23C24H24H24A118.2°120.0°
C23C24C25C2685.3°180.0°
C23C24C25H2534.7°60.0°
C23C24C25H25A154.7°60.0°
H23C23C24C25172.6°60.0°
H23C23C24H2467.5°179.9°
H23C23C24H24A52.6°60.0°
H23AC23C24C2552.6°60.0°
H23AC23C24H24172.6°60.0°
H23AC23C24H24A67.4°180.0°
C25C24H24H24A118.3°120.0°
C24C25C26H25120.0°120.0°
C24C25C26H25A120.0°120.0°
C24C25H25H25A118.1°120.0°
C24C25C26H26180.0°180.0°
C24C25C26H26A60.0°60.0°
C24C25C26H26B60.0°59.9°
H24C24C25C26154.7°60.0°
H24C24C25H2585.3°180.0°
H24C24C25H25A34.7°60.0°
H24AC24C25C2634.7°60.0°
H24AC24C25H25154.7°60.0°
H24AC24C25H25A85.3°180.0°
C26C25H25H25A118.1°120.0°
C25C26H26H26A120.0°120.0°
C25C26H26H26B120.0°120.0°
C25C26H26AH26B120.0°120.0°
H25C25C26H2660.0°60.0°
H25C25C26H26A180.0°180.0°
H25C25C26H26B60.0°60.1°
H25AC25C26H2660.0°60.0°
H25AC25C26H26A60.0°60.0°
H25AC25C26H26B180.0°180.0°
H26C26H26AH26B120.0°120.0°
C28C27C29H27115.6°120.0°
C27C28H28H28A120.0°120.0°
C27C28H28H28B120.0°120.1°
C27C28H28AH28B120.0°120.0°
C28C27C29H2949.9°179.9°
C28C27C29H29A169.9°60.0°
C28C27C29H29B70.1°60.0°
C29C27C28H2852.0°60.0°
C29C27C28H28A68.0°60.0°
C29C27C28H28B172.0°179.9°
C27C29H29H29A120.0°120.0°
C27C29H29H29B120.0°120.0°
C27C29H29AH29B120.0°119.9°
H27C27C28H2866.3°180.0°
H27C27C28H28A173.7°60.0°
H27C27C28H28B53.7°59.9°
H27C27C29H2965.7°60.0°
H27C27C29H29A54.3°60.1°
H27C27C29H29B174.3°180.0°
H28C28H28AH28B120.0°120.0°
H29C29H29AH29B120.0°120.0°
H30C30H30AH30B120.0°120.0°

222415

PDB entries from 2024-07-10

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