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KPJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C07C04sing1.51Å1.52Å
C04C05doub1.39Å1.38ÅAromatic
C04C03sing1.38Å1.38ÅAromatic
C05C06sing1.38Å1.39ÅAromatic
C03C02doub1.39Å1.40ÅAromatic
C06C08sing1.51Å1.51Å
C06N01doub1.32Å1.36ÅAromatic
C02N01sing1.32Å1.35ÅAromatic
C02N02sing1.39Å1.34Å
F13C13sing1.35Å1.33Å
F12C12sing1.35Å1.36Å
C08C09sing1.53Å1.52Å
C13C12doub1.39Å1.36ÅAromatic
C13C14sing1.38Å1.38ÅAromatic
C12C11sing1.38Å1.38ÅAromatic
C14C15doub1.38Å1.39ÅAromatic
C11C09sing1.51Å1.50Å
C11C16doub1.38Å1.40ÅAromatic
C15C16sing1.38Å1.39ÅAromatic
C15C17sing1.51Å1.51Å
C17C18sing1.53Å1.50Å
C18C25sing1.53Å1.52Å
C24C25sing1.55Å1.52Å
C24C23sing1.55Å1.52Å
C25N21sing1.48Å1.46Å
C23C22sing1.54Å1.53Å
N21C22sing1.47Å1.46Å
N21C26sing1.47Å1.44Å
C17H1sing1.09Å1.10Å
C17H2sing1.09Å1.10Å
C18H3sing1.09Å1.10Å
C18H4sing1.09Å1.10Å
N02H5sing0.97Å1.00Å
N02H6sing0.97Å1.00Å
C03H7sing1.08Å1.08Å
C05H8sing1.08Å1.08Å
C08H9sing1.09Å1.10Å
C08H10sing1.09Å1.10Å
C09H11sing1.09Å1.10Å
C09H12sing1.09Å1.10Å
C22H13sing1.09Å1.10Å
C22H14sing1.09Å1.10Å
C23H15sing1.09Å1.10Å
C23H16sing1.09Å1.10Å
C24H17sing1.09Å1.10Å
C24H18sing1.09Å1.10Å
C25H19sing1.09Å1.10Å
C26H20sing1.09Å1.10Å
C26H21sing1.09Å1.10Å
C26H22sing1.09Å1.10Å
C07H23sing1.09Å1.10Å
C07H24sing1.09Å1.10Å
C07H25sing1.09Å1.10Å
C14H26sing1.08Å1.08Å
C16H27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C07C04C05118.7°120.8°
C07C04C03122.0°120.7°
C04C07H23109.5°109.5°
C04C07H24109.5°109.5°
C04C07H25109.5°109.5°
C05C04C03119.2°118.5°
C04C05C06120.0°119.3°
C04C05H8120.0°120.3°
C04C03C02119.6°119.1°
C04C03H7120.2°120.5°
C05C06C08117.3°119.6°
C05C06N01120.6°120.8°
C06C05H8120.0°120.4°
C03C02N01120.7°120.6°
C03C02N02118.8°119.7°
C02C03H7120.2°120.4°
C08C06N01122.1°119.6°
C06C08C09112.0°109.5°
C06C08H9108.8°109.5°
C06C08H10108.8°109.4°
C06N01C02120.0°121.7°
N01C02N02120.5°119.7°
C02N02H5109.5°120.0°
C02N02H6109.5°120.0°
F13C13C12120.1°120.0°
F13C13C14118.9°120.0°
F12C12C13119.5°120.1°
F12C12C11119.1°120.0°
C08C09C11111.5°109.4°
C09C08H9108.8°109.5°
C09C08H10108.9°109.5°
C08C09H11109.0°109.5°
C08C09H12109.0°109.5°
C12C13C14121.0°119.9°
C13C12C11121.4°119.9°
C13C14C15118.9°120.0°
C13C14H26120.6°120.0°
C12C11C09117.6°120.0°
C12C11C16118.6°120.0°
C14C15C16120.5°120.0°
C14C15C17114.9°120.0°
C15C14H26120.6°120.0°
C09C11C16123.8°120.0°
C11C09H11109.0°109.4°
C11C09H12108.9°109.5°
C11C16C15119.7°120.1°
C11C16H27120.2°119.9°
C16C15C17124.6°120.0°
C15C16H27120.1°120.0°
C15C17C18117.1°109.5°
C15C17H1107.5°109.5°
C15C17H2107.5°109.5°
C17C18C25106.3°109.5°
C18C17H1107.5°109.5°
C18C17H2107.5°109.4°
C17C18H3110.2°109.5°
C17C18H4110.3°109.4°
C18C25C24112.3°110.3°
C18C25N21112.9°110.3°
C25C18H3110.2°109.5°
C25C18H4110.3°109.5°
C18C25H19107.7°110.3°
C25C24C23105.0°101.6°
C24C25N21107.6°104.8°
C25C24H17110.6°111.0°
C25C24H18110.6°110.9°
C24C25H19107.8°110.4°
C24C23C22102.7°103.0°
C24C23H15111.1°110.7°
C24C23H16111.1°110.9°
C23C24H17110.6°111.1°
C23C24H18110.6°110.9°
C25N21C22108.4°108.4°
C25N21C26102.9°111.0°
N21C25H19108.5°110.6°
C23C22N21105.8°107.3°
C23C22H13110.4°109.9°
C23C22H14110.4°109.9°
C22C23H15111.1°110.7°
C22C23H16111.1°110.7°
C22N21C26106.9°111.0°
N21C22H13110.4°109.9°
N21C22H14110.4°109.9°
N21C26H20109.5°109.5°
N21C26H21109.5°109.5°
N21C26H22109.5°109.5°
H1C17H2109.5°109.5°
H3C18H4109.5°109.5°
H5N02H6109.4°120.0°
H9C08H10109.5°109.4°
H11C09H12109.5°109.5°
H13C22H14109.5°109.9°
H15C23H16109.5°110.6°
H17C24H18109.5°110.9°
H20C26H21109.4°109.5°
H20C26H22109.5°109.5°
H21C26H22109.5°109.5°
H23C07H24109.4°109.5°
H23C07H25109.5°109.5°
H24C07H25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C07C04C05C03179.1°180.0°
C07C04C05C06179.2°180.0°
C07C04C03C02179.1°180.0°
C07C04C03H70.9°0.3°
C07C04C05H80.9°0.0°
C04C07H23H24120.0°120.0°
C04C07H23H25120.0°120.0°
C04C07H24H25120.0°120.0°
C04C05C06H8180.0°180.0°
C05C04C03C020.0°0.0°
C04C05C06C08179.3°180.0°
C04C05C06N010.1°0.0°
C05C04C03H7180.0°179.7°
C05C04C07H2390.5°90.0°
C05C04C07H24149.6°150.0°
C05C04C07H2529.6°30.0°
C03C04C05C060.0°0.0°
C04C03C02H7180.0°179.7°
C04C03C02N010.0°0.0°
C04C03C02N02179.2°179.7°
C03C04C05H8180.0°180.0°
C03C04C07H2390.5°90.0°
C03C04C07H2429.5°30.0°
C03C04C07H25149.5°150.0°
C05C06C08N01179.2°180.0°
C05C06N01C020.0°0.1°
C05C06C08C09102.9°125.0°
C05C06C08H917.5°114.9°
C05C06C08H10136.7°5.0°
C03C02N01C060.0°0.0°
C03C02N01N02179.2°179.7°
C03C02N02H5179.2°0.0°
C03C02N02H659.2°180.0°
C08C06N01C02179.2°180.0°
C06C08C09H9120.4°120.0°
C06C08C09H10120.4°120.0°
C06C08C09C11123.1°180.0°
C08C06C05H80.8°0.0°
C06C08H9H10118.8°120.0°
C06C08C09H11116.6°60.1°
C06C08C09H122.8°60.0°
C06N01C02N02179.2°179.7°
N01C06C08C0977.9°55.0°
N01C06C05H8180.0°180.0°
N01C06C08H9161.7°65.0°
N01C06C08H1042.5°175.0°
N01C02N02H50.0°179.7°
N01C02N02H6120.0°0.3°
N01C02C03H7180.0°179.7°
C02N02H5H6120.0°180.0°
N02C02C03H70.8°0.0°
F13C13C12F120.4°0.1°
F13C13C12C14179.6°180.0°
F13C13C12C11179.9°180.0°
F13C13C14C15180.0°180.0°
F13C13C14H260.0°0.1°
F12C12C13C11179.5°179.9°
F12C12C13C14180.0°180.0°
F12C12C11C090.7°0.0°
F12C12C11C16179.9°179.6°
C08C09C11C1280.4°80.3°
C08C09C11H11120.3°119.9°
C08C09C11H12120.3°120.0°
C08C09C11C16100.3°100.1°
C09C08H9H10118.9°120.0°
C08C09H11H12119.1°120.0°
C12C13C14C150.4°0.0°
C13C12C11C09179.8°179.9°
C13C12C11C160.4°0.3°
C12C13C14H26179.6°180.0°
C14C13C12C110.4°0.0°
C13C14C15H26180.0°180.0°
C13C14C15C160.3°0.4°
C13C14C15C17179.7°179.7°
C12C11C09C16179.4°179.6°
C12C11C16C150.3°0.7°
C12C11C09H11159.3°39.6°
C12C11C09H1239.9°159.7°
C12C11C16H27179.7°179.8°
C14C15C16C110.3°0.7°
C14C15C16C17180.0°179.3°
C14C15C17C18177.6°89.4°
C14C15C17H161.3°30.6°
C14C15C17H256.5°150.7°
C14C15C16H27179.7°179.8°
C09C11C16C15179.7°179.7°
C11C09C08H92.7°60.0°
C11C09C08H10116.6°60.0°
C11C09H11H12119.1°120.0°
C09C11C16H270.3°0.2°
C11C16C15H27180.0°179.5°
C11C16C15C17179.8°180.0°
C16C11C09H1120.0°140.0°
C16C11C09H12139.4°19.9°
C16C15C17C182.4°89.9°
C16C15C17H1118.7°150.1°
C16C15C17H2123.5°30.0°
C16C15C14H26179.7°179.6°
C15C17C18H1121.1°120.0°
C15C17C18H2121.1°120.0°
C15C17C18C25134.4°174.4°
C15C17H1H2116.5°120.0°
C15C17C18H3106.1°54.4°
C15C17C18H414.9°65.6°
C17C15C14H260.3°0.3°
C17C15C16H270.3°0.4°
C17C18C25H3119.5°120.0°
C17C18C25H4119.5°120.0°
C17C18C25C2465.0°175.0°
C17C18C25N21173.2°69.7°
C18C17H1H2116.5°119.9°
C17C18H3H4121.5°120.0°
C17C18C25H1953.5°52.7°
C18C25C24N21124.7°118.7°
C18C25C24H19118.5°122.2°
C18C25C24C23139.7°155.9°
C18C25N21H19119.3°122.3°
C18C25N21C22118.7°143.0°
C18C25N21C26128.4°94.8°
C25C18C17H113.3°65.6°
C25C18C17H2104.5°54.5°
C25C18H3H4121.4°120.0°
C18C25C24H17101.1°37.7°
C18C25C24H1820.4°86.2°
C25C24C23H17119.3°118.2°
C25C24C23H18119.3°118.0°
C24C25N21H19116.3°119.0°
C25C24C23C2228.5°35.7°
C24C25N21C225.7°24.3°
C24C25N21C26107.2°146.4°
C24C25C18H354.5°55.0°
C24C25C18H4175.5°65.0°
C25C24C23H1590.4°154.1°
C25C24C23H16147.4°82.8°
C25C24H17H18122.1°123.8°
C23C24C25N2114.9°37.2°
C24C23C22H15118.9°118.3°
C24C23C22H16118.9°118.6°
C24C23C22N2132.5°22.2°
C24C23C22H13152.0°141.7°
C24C23C22H1486.9°97.2°
C24C23H15H16123.1°123.3°
C23C24H17H18122.1°123.8°
C23C24C25H19101.8°81.9°
C25N21C22C2324.1°1.1°
C25N21C22C26110.3°122.1°
N21C25C18H367.3°170.3°
N21C25C18H453.7°50.3°
C25N21C22H13143.6°118.4°
C25N21C22H1495.3°120.6°
N21C25C24H17134.2°81.0°
N21C25C24H18104.4°155.1°
C25N21C26H20180.0°65.9°
C25N21C26H2160.0°174.1°
C25N21C26H2260.0°54.1°
C23C22N21H13119.4°119.5°
C23C22N21H14119.4°119.5°
C23C22N21C2686.1°123.3°
C23C22H13H14121.7°121.0°
C22C23H15H16123.1°123.1°
C22C23C24H17147.8°82.5°
C22C23C24H1890.8°153.7°
N21C22H13H14121.7°121.1°
N21C22C23H1586.4°140.6°
N21C22C23H16151.4°96.4°
C22N21C25H19122.0°94.7°
C22N21C26H2066.0°54.7°
C22N21C26H21174.0°65.3°
C22N21C26H2254.0°174.8°
C26N21C22H1333.3°3.8°
C26N21C22H14154.5°117.3°
C26N21C25H199.1°27.5°
N21C26H20H21120.0°120.0°
N21C26H20H22120.0°120.0°
N21C26H21H22120.0°120.0°
H1C17C18H3132.8°174.4°
H1C17C18H4106.2°54.4°
H2C17C18H315.0°65.6°
H2C17C18H4136.0°174.4°
H3C18C25H19173.0°67.3°
H4C18C25H1966.0°172.7°
H9C08C09H11123.0°59.9°
H9C08C09H12117.6°180.0°
H10C08C09H113.8°179.9°
H10C08C09H12123.2°60.0°
H13C22C23H1533.1°99.9°
H13C22C23H1689.1°23.1°
H14C22C23H15154.2°21.1°
H14C22C23H1632.0°144.1°
H15C23C24H1728.9°35.9°
H15C23C24H18150.3°88.0°
H16C23C24H1793.3°159.0°
H16C23C24H1828.1°35.2°
H17C24C25H1917.4°159.9°
H18C24C25H19138.9°36.1°
H20C26H21H22120.0°120.0°
H23C07H24H25120.0°120.0°

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PDB entries from 2024-07-17

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