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6AJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N22C18sing1.47Å1.53Å
C19C20sing1.53Å1.59Å
C19C18sing1.53Å1.58Å
F32C3sing1.35Å1.32Å
C20C21sing1.53Å1.54Å
C3C4doub1.39Å1.39ÅAromatic
C3C2sing1.39Å1.41ÅAromatic
C18C17sing1.53Å1.54Å
C4C5sing1.38Å1.43ÅAromatic
C2C1doub1.38Å1.43ÅAromatic
C5C6doub1.40Å1.43ÅAromatic
C1C6sing1.40Å1.42ÅAromatic
C1C15sing1.51Å1.50Å
C21N16sing1.47Å1.49Å
C6C30sing1.43Å1.41Å
C15N12sing1.47Å1.49Å
N16C17sing1.47Å1.47Å
N16C11sing1.38Å1.36Å
C30N31trip1.14Å1.14Å
N12C11sing1.36Å1.42ÅAromatic
N12C8sing1.39Å1.36ÅAromatic
C11N10doub1.31Å1.32ÅAromatic
C8C7sing1.40Å1.46Å
C8C9doub1.40Å1.40ÅAromatic
O14C7doub1.22Å1.21Å
N10C9sing1.34Å1.35ÅAromatic
C7N24sing1.35Å1.38Å
C9N13sing1.34Å1.42Å
N24C23sing1.36Å1.43Å
N24C25sing1.47Å1.45Å
N13C23doub1.32Å1.30Å
C23N27sing1.38Å1.36Å
C25C26sing1.51Å1.52Å
N27C26sing1.34Å1.38Å
N27C29sing1.46Å1.46Å
C26O28doub1.21Å1.23Å
C2H1sing1.08Å1.08Å
C4H2sing1.08Å1.08Å
C5H3sing1.08Å1.08Å
C15H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C17H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C18H8sing1.09Å1.10Å
C19H9sing1.09Å1.10Å
C19H10sing1.09Å1.10Å
C20H11sing1.09Å1.10Å
C20H12sing1.09Å1.10Å
C21H13sing1.09Å1.10Å
C21H14sing1.09Å1.10Å
C25H15sing1.09Å1.10Å
C25H16sing1.09Å1.10Å
C29H17sing1.09Å1.10Å
C29H18sing1.09Å1.10Å
C29H19sing1.09Å1.10Å
N22H20sing1.01Å1.00Å
N22H21sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N22C18C19111.3°109.5°
N22C18C17104.4°109.5°
N22C18H8110.6°109.6°
C18N22H20109.5°111.0°
C18N22H21109.5°111.0°
C20C19C18111.3°109.1°
C19C20C21112.0°109.3°
C20C19H9109.0°109.5°
C20C19H10109.0°109.6°
C19C20H11108.8°109.5°
C19C20H12108.8°109.5°
C19C18C17109.9°109.2°
C19C18H8110.0°109.5°
C18C19H9109.0°109.5°
C18C19H10109.0°109.5°
F32C3C4120.5°119.9°
F32C3C2115.5°119.9°
C20C21N16109.9°109.5°
C21C20H11108.9°109.5°
C21C20H12108.9°109.4°
C20C21H13109.4°109.5°
C20C21H14109.3°109.5°
C4C3C2123.9°120.3°
C3C4C5118.6°120.1°
C3C4H2120.7°119.9°
C3C2C1118.0°120.1°
C3C2H1121.0°120.0°
C18C17N16111.2°109.5°
C18C17H6109.0°109.5°
C18C17H7109.1°109.4°
C17C18H8110.5°109.5°
C4C5C6118.8°119.9°
C5C4H2120.7°120.0°
C4C5H3120.6°120.0°
C2C1C6119.4°119.9°
C2C1C15113.9°120.0°
C1C2H1121.0°119.9°
C5C6C1121.2°119.7°
C5C6C30117.7°120.1°
C6C5H3120.6°120.1°
C6C1C15126.7°120.1°
C1C6C30121.0°120.2°
C1C15N12116.8°109.4°
C1C15H4107.6°109.5°
C1C15H5107.6°109.5°
C21N16C17117.0°111.2°
C21N16C11113.9°111.0°
N16C21H13109.4°109.4°
N16C21H14109.4°109.4°
C6C30N31179.9°180.0°
C15N12C11124.5°126.6°
C15N12C8129.3°126.6°
N12C15H4107.6°109.5°
N12C15H5107.6°109.4°
C17N16C11114.2°111.0°
N16C17H6109.1°109.5°
N16C17H7109.0°109.4°
N16C11N12121.2°125.2°
N16C11N10127.0°125.2°
C11N12C8106.2°106.8°
N12C11N10111.8°109.7°
N12C8C7133.7°134.8°
N12C8C9104.7°106.4°
C11N10C9104.2°110.0°
C7C8C9121.6°118.8°
C8C7O14126.4°120.7°
C8C7N24112.2°118.5°
C8C9N10112.9°107.1°
C8C9N13123.4°119.3°
O14C7N24121.4°120.8°
N10C9N13123.6°133.6°
C7N24C23122.6°121.3°
C7N24C25126.3°131.4°
C9N13C23113.8°121.7°
C23N24C25111.0°107.3°
N24C23N13126.2°120.5°
N24C23N27108.3°110.6°
N24C25C26100.3°104.2°
N24C25H15111.7°110.5°
N24C25H16111.7°110.6°
N13C23N27125.5°128.9°
C23N27C26109.9°111.6°
C23N27C29126.5°124.2°
C25C26N27110.4°106.3°
C25C26O28125.1°126.8°
C26C25H15111.7°110.5°
C26C25H16111.7°110.5°
C26N27C29123.6°124.2°
N27C26O28124.5°126.9°
N27C29H17109.5°109.4°
N27C29H18109.5°109.5°
N27C29H19109.5°109.5°
H4C15H5109.5°109.5°
H6C17H7109.4°109.5°
H9C19H10109.5°109.6°
H11C20H12109.4°109.6°
H13C21H14109.4°109.4°
H15C25H16109.5°110.5°
H17C29H18109.5°109.5°
H17C29H19109.4°109.4°
H18C29H19109.5°109.5°
H20N22H21109.5°111.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N22C18C19C2062.5°62.3°
N22C18C19C17115.2°120.0°
N22C18C19H8123.0°120.1°
N22C18C17H8119.0°120.2°
N22C18C17N1665.3°60.7°
N22C18C17H6174.4°179.2°
N22C18C17H755.0°59.2°
N22C18C19H9177.2°57.6°
N22C18C19H1057.8°177.8°
C18N22H20H21120.1°124.0°
C20C19C18H9120.3°119.9°
C20C19C18H10120.3°119.9°
C19C20C21H11120.4°120.0°
C19C20C21H12120.4°119.9°
C20C19C18C1752.7°57.7°
C19C20C21N1650.3°59.2°
C20C19C18H8174.5°177.6°
C20C19H9H10119.2°120.2°
C19C20H11H12118.8°120.1°
C19C20C21H13170.4°179.2°
C19C20C21H1469.7°60.8°
C18C19C20C2151.8°57.7°
C19C18C17H8121.6°119.9°
C19C18C17N1654.1°59.2°
C19C18C17H666.1°60.8°
C19C18C17H7174.4°179.1°
C18C19H9H10119.2°120.1°
C18C19C20H1168.6°62.3°
C18C19C20H12172.2°177.6°
C19C18N22H20180.0°68.4°
C19C18N22H2160.0°55.7°
F32C3C4C2179.9°179.9°
F32C3C4C5178.7°179.9°
F32C3C2C1179.1°180.0°
F32C3C2H10.9°0.0°
F32C3C4H21.3°0.0°
C20C21N16H13120.1°120.0°
C20C21N16H14120.1°120.1°
C20C21N16C1754.9°61.7°
C20C21N16C11168.4°174.2°
C21C20C19H968.4°177.6°
C21C20C19H10172.1°62.2°
C21C20H11H12118.9°120.1°
C20C21H13H14119.7°120.1°
C3C4C5H2180.0°179.9°
C4C3C2C10.8°0.0°
C3C4C5C61.1°0.0°
C4C3C2H1179.2°180.0°
C3C4C5H3178.9°180.0°
C2C3C4C51.2°0.0°
C3C2C1H1180.0°180.0°
C3C2C1C60.4°0.0°
C3C2C1C15176.8°179.8°
C2C3C4H2178.8°179.9°
C18C17N16C2157.5°61.8°
C18C17N16H6120.3°120.1°
C18C17N16H7120.3°119.9°
C18C17N16C11165.8°174.1°
C18C17H6H7119.2°120.0°
C17C18C19H967.6°177.6°
C17C18C19H10172.9°62.2°
C17C18N22H2061.5°171.8°
C17C18N22H21178.5°64.1°
C4C5C6H3180.0°180.0°
C4C5C6C10.7°0.0°
C4C5C6C30178.2°179.7°
C2C1C6C50.4°0.0°
C2C1C6C15176.8°179.8°
C2C1C6C30177.7°179.8°
C2C1C15N12139.9°107.2°
C2C1C15H418.9°12.8°
C2C1C15H599.0°132.9°
C5C6C1C30177.3°179.7°
C5C6C1C15176.4°179.8°
C5C6C30N31151.1°159.0°
C6C5C4H2178.9°179.9°
C6C1C15N1243.1°72.6°
C1C6C30N3126.3°20.8°
C6C1C2H1179.6°180.0°
C1C6C5H3179.2°180.0°
C6C1C15H4164.1°167.4°
C6C1C15H578.0°47.3°
C15C1C6C300.9°0.0°
C1C15N12H4121.0°120.0°
C1C15N12H5121.1°120.0°
C1C15N12C11122.1°113.4°
C1C15N12C859.6°66.6°
C15C1C2H13.2°0.2°
C1C15H4H5116.7°120.1°
C21N16C17C11136.7°124.1°
C21N16C11N1281.0°71.3°
C21N16C11N1099.4°108.7°
C21N16C17H662.8°58.3°
C21N16C17H7177.8°178.3°
N16C21C20H1170.1°60.8°
N16C21C20H12170.7°179.1°
N16C21H13H14119.8°119.9°
C30C6C5H31.8°0.2°
C15N12C11N160.4°0.0°
C15N12C11C8178.6°180.0°
C15N12C11N10180.0°180.0°
C15N12C8C70.1°0.0°
C15N12C8C9177.8°180.0°
N12C15H4H5116.7°120.0°
C17N16C11N12140.9°164.5°
C17N16C11N1038.7°15.5°
N16C17H6H7119.2°119.9°
N16C17C18H8175.7°179.1°
C17N16C21H13174.9°178.2°
C17N16C21H1465.2°58.3°
N16C11N12N10179.7°180.0°
N16C11N12C8179.0°180.0°
N16C11N10C9177.5°180.0°
C11N16C17H673.9°65.8°
C11N16C17H745.5°54.2°
C11N16C21H1348.3°54.1°
C11N16C21H1471.6°65.8°
C11N12C8C7178.6°180.0°
C11N12C8C90.8°0.0°
N12C11N10C92.9°0.0°
C11N12C15H4116.9°126.5°
C11N12C15H51.0°6.6°
C8N12C11N101.4°0.0°
N12C8C7C9177.6°180.0°
N12C8C7O144.1°0.3°
N12C8C9N102.7°0.0°
N12C8C7N24174.5°179.9°
N12C8C9N13175.5°180.0°
C8N12C15H461.4°53.5°
C8N12C15H5179.3°173.4°
C11N10C9C83.4°0.0°
C11N10C9N13174.7°180.0°
C8C7O14N24178.4°179.8°
C7C8C9N10179.2°180.0°
C7C8C9N132.7°0.0°
C8C7N24C230.6°0.1°
C8C7N24C25176.7°180.0°
C9C8C7O14178.4°179.8°
C8C9N10N13178.1°180.0°
C9C8C7N243.1°0.0°
C8C9N13C230.6°0.0°
O14C7N24C23179.2°179.7°
O14C7N24C251.9°0.2°
N10C9N13C23177.3°180.0°
C7N24C23C25177.7°180.0°
C7N24C23N132.9°0.1°
C7N24C23N27175.8°180.0°
C7N24C25C26174.8°180.0°
C7N24C25H1566.7°61.4°
C7N24C25H1656.3°61.3°
C9N13C23N243.4°0.1°
C9N13C23N27175.1°180.0°
N24C23N13N27178.5°179.9°
C23N24C25C262.7°0.0°
N24C23N27C260.0°0.0°
N24C23N27C29178.8°180.0°
C23N24C25H15115.8°118.7°
C23N24C25H16121.3°118.7°
C25N24C23N13179.4°180.0°
C25N24C23N271.9°0.0°
N24C25C26H15118.5°118.6°
N24C25C26H16118.5°118.8°
N24C25C26N272.8°0.1°
N24C25C26O28177.1°180.0°
N24C25H15H16124.3°122.7°
N13C23N27C26178.7°179.9°
N13C23N27C290.1°0.1°
C23N27C26C251.9°0.0°
C23N27C26C29178.8°180.0°
C23N27C26O28178.0°180.0°
C23N27C29H17180.0°90.0°
C23N27C29H1860.0°150.0°
C23N27C29H1960.0°30.0°
C25C26N27O28179.9°180.0°
C25C26N27C29179.3°180.0°
C26C25H15H16124.3°122.6°
N27C26C25H15115.7°118.7°
N27C26C25H16121.3°118.7°
C26N27C29H171.4°90.1°
C26N27C29H18118.6°30.0°
C26N27C29H19121.4°150.0°
C29N27C26O280.8°0.0°
N27C29H17H18120.0°120.0°
N27C29H17H19120.0°119.9°
N27C29H18H19120.0°120.0°
O28C26C25H1564.4°61.4°
O28C26C25H1658.6°61.2°
H2C4C5H31.2°0.1°
H6C17C18H855.5°59.1°
H7C17C18H864.0°61.0°
H8C18C19H954.3°62.5°
H8C18C19H1065.2°57.7°
H8C18N22H2057.4°51.7°
H8C18N22H2162.6°175.7°
H9C19C20H11171.1°57.6°
H9C19C20H1251.9°62.6°
H10C19C20H1151.7°177.8°
H10C19C20H1267.5°57.7°
H11C20C21H1350.0°59.2°
H11C20C21H14169.9°179.2°
H12C20C21H1369.2°60.9°
H12C20C21H1450.6°59.1°
H17C29H18H19120.0°120.0°

222624

PDB entries from 2024-07-17

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