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PZJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13C12sing1.54Å1.43Å
C13O14sing1.43Å1.41Å
C15C20doub1.39Å1.42ÅAromatic
C15C16sing1.39Å1.40ÅAromatic
C15N03sing1.40Å1.50Å
C17C16doub1.38Å1.41ÅAromatic
C17C18sing1.38Å1.41ÅAromatic
C20C19sing1.38Å1.41ÅAromatic
C20CL21sing1.74Å1.79Å
C01C02sing1.53Å1.54Å
C01N06sing1.47Å1.38Å
C02N03sing1.47Å1.45Å
C04C05sing1.53Å1.55Å
C04N03sing1.47Å1.46Å
C05N06sing1.47Å1.39Å
C07C08sing1.55Å1.65Å
C07N06sing1.47Å1.30Å
C08S09sing1.84Å1.54Å
C12S09sing1.83Å1.80Å
C18C19doub1.38Å1.40ÅAromatic
O10S09doub1.42Å1.46Å
O11S09doub1.42Å1.46Å
C13H1sing1.09Å1.10Å
C17H3sing1.08Å1.08Å
C01H4sing1.09Å1.10Å
C01H5sing1.09Å1.10Å
C02H6sing1.09Å1.10Å
C02H7sing1.09Å1.10Å
C04H8sing1.09Å1.10Å
C04H9sing1.09Å1.10Å
C05H10sing1.09Å1.10Å
C05H11sing1.09Å1.10Å
C07H12sing1.09Å1.10Å
C08H14sing1.09Å1.10Å
C08H15sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C12H17sing1.09Å1.10Å
C16H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
C19H20sing1.08Å1.08Å
O14H22sing0.97Å0.95Å
C13C07sing1.53Å1.79Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C12C13O14110.3°108.9°
C13C12S09105.3°105.3°
C12C13H1112.1°108.9°
C13C12H16110.5°110.3°
C13C12H17110.5°110.3°
C12C13C07102.9°112.3°
O14C13H1112.4°108.9°
C13O14H22109.5°114.0°
O14C13C07111.3°108.9°
C20C15C16118.8°119.8°
C20C15N03121.7°120.1°
C15C20C19121.0°119.9°
C15C20CL21120.1°120.0°
C16C15N03119.6°120.1°
C15C16C17120.4°119.9°
C15C16H18119.8°120.1°
C15N03C02123.9°111.0°
C15N03C04123.7°111.0°
C16C17C18120.6°120.1°
C16C17H3119.7°119.9°
C17C16H18119.8°120.0°
C17C18C19119.3°120.1°
C18C17H3119.7°119.9°
C17C18H19120.4°119.9°
C19C20CL21118.8°120.1°
C20C19C18119.9°120.1°
C20C19H20120.1°120.0°
C02C01N06114.0°109.4°
C01C02N03110.3°109.3°
C02C01H4108.3°109.4°
C02C01H5108.3°109.5°
C01C02H6109.3°109.5°
C01C02H7109.3°109.5°
C01N06C05115.8°110.9°
C01N06C07110.9°111.0°
N06C01H4108.4°109.5°
N06C01H5108.3°109.5°
C02N03C04110.2°110.9°
N03C02H6109.2°109.5°
N03C02H7109.3°109.5°
C05C04N03115.1°109.4°
C04C05N06114.8°109.4°
C05C04H8108.0°109.5°
C05C04H9108.0°109.5°
C04C05H10108.1°109.5°
C04C05H11108.1°109.5°
N03C04H8108.1°109.5°
N03C04H9108.0°109.5°
C05N06C07113.5°111.0°
N06C05H10108.1°109.5°
N06C05H11108.1°109.5°
C08C07N06134.0°109.7°
C07C08S09106.3°101.2°
C08C07H12106.5°109.7°
C07C08H14110.3°111.0°
C07C08H15110.3°111.0°
C08C07C13103.1°108.7°
N06C07H12111.0°109.5°
N06C07C1392.1°109.7°
C08S09C12106.8°95.3°
C08S09O10106.6°109.6°
C08S09O11108.1°109.6°
S09C08H14110.3°111.1°
S09C08H15110.2°111.1°
C12S09O10108.5°109.6°
C12S09O11107.7°109.6°
S09C12H16110.5°110.3°
S09C12H17110.5°110.3°
C19C18H19120.3°119.9°
C18C19H20120.0°120.0°
O10S09O11118.6°120.2°
H1C13C07107.5°108.8°
H4C01H5109.4°109.5°
H6C02H7109.5°109.5°
H8C04H9109.4°109.5°
H10C05H11109.5°109.5°
H12C07C13105.1°109.6°
H14C08H15109.5°111.0°
H16C12H17109.4°110.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C12C13O14H1125.8°118.7°
C12C13O14C07113.6°122.7°
C12C13C07C0839.3°29.9°
C12C13C07N06175.5°149.8°
C13C12S09C0824.5°20.3°
C13C12S09H16119.3°119.0°
C13C12S09H17119.4°119.0°
C13C12S09O1090.1°133.3°
C13C12S09O11140.4°92.7°
C12C13H1C07112.4°122.7°
C12C13C07H1272.1°89.9°
C13C12H16H17122.0°122.0°
C12C13O14H22180.0°61.5°
O14C13C07C08157.4°150.6°
O14C13C07N0666.4°89.5°
O14C13C12S09155.6°123.1°
O14C13H1C07122.8°118.7°
O14C13C07H1246.0°30.8°
O14C13C12H1685.1°117.9°
O14C13C12H1736.2°4.1°
C20C15C16N03178.9°179.7°
C20C15C16C170.4°0.0°
C15C20C19CL21179.7°180.0°
C20C15N03C02107.9°120.0°
C20C15N03C0453.5°116.2°
C15C20C19C180.2°0.1°
C20C15C16H18179.6°180.0°
C15C20C19H20179.8°180.0°
C15C16C17H18180.0°180.0°
C15C16C17C180.1°0.1°
C16C15C20C190.3°0.0°
C16C15C20CL21180.0°180.0°
C16C15N03C0273.3°60.3°
C16C15N03C04125.3°63.5°
C15C16C17H3179.9°180.0°
N03C15C16C17179.3°179.7°
N03C15C20C19179.1°179.7°
N03C15C20CL211.2°0.3°
C15N03C02C01144.1°176.9°
C15N03C02C04163.6°123.9°
C15N03C04C05169.4°176.8°
C15N03C02H695.8°63.3°
C15N03C02H724.0°56.8°
C15N03C04H869.7°56.9°
C15N03C04H948.6°63.2°
N03C15C16H180.7°0.3°
C16C17C18H3180.0°180.0°
C16C17C18C190.4°0.1°
C16C17C18H19179.6°179.9°
C17C18C19C200.5°0.1°
C17C18C19H19180.0°179.8°
C18C17C16H18179.9°179.9°
C17C18C19H20179.5°179.9°
C20C19C18H20180.0°179.9°
C20C19C18H19179.5°180.0°
CL21C20C19C18179.5°179.9°
CL21C20C19H200.5°0.0°
C02C01N06H4120.7°119.9°
C02C01N06H5120.7°120.0°
C01C02N03H6120.1°119.9°
C01C02N03H7120.1°120.0°
C01C02N03C0452.3°59.3°
C02C01N06C059.8°59.3°
C02C01N06C07121.3°64.6°
C02C01H4H5117.9°120.0°
C01C02H6H7119.6°120.1°
N06C01C02N0358.7°58.4°
C01N06C05C0438.4°59.3°
C01N06C05C07129.9°123.9°
C01N06C07C0895.3°178.4°
N06C01H4H5117.9°120.1°
N06C01C02H661.4°61.5°
N06C01C02H7178.9°178.4°
C01N06C05H1082.4°179.3°
C01N06C05H11159.2°60.7°
C01N06C07H1247.2°58.0°
C01N06C07C13154.3°62.3°
C02N03C04C055.8°59.3°
N03C02C01H462.0°61.6°
N03C02C01H5179.4°178.4°
N03C02H6H7119.6°120.1°
C02N03C04H8126.6°179.3°
C02N03C04H9115.0°60.6°
C05C04N03H8120.9°120.0°
C05C04N03H9120.8°120.0°
C04C05N06H10120.8°120.0°
C04C05N06H11120.8°120.0°
C04C05N06C07168.3°64.6°
C05C04H8H9117.4°120.0°
C04C05H10H11117.6°120.1°
N03C04C05N0642.2°58.4°
C04N03C02H667.9°60.6°
C04N03C02H7172.4°179.3°
N03C04H8H9117.4°120.1°
N03C04C05H1078.5°178.4°
N03C04C05H11163.0°61.5°
C05N06C07C0837.1°54.5°
C05N06C01H4110.9°60.6°
C05N06C01H5130.5°179.3°
N06C05C04H878.6°178.3°
N06C05C04H9163.1°61.6°
N06C05H10H11117.6°120.0°
C05N06C07H12179.5°65.9°
C05N06C07C1373.4°173.8°
C08C07N06H12142.5°120.4°
C08C07N06C13110.4°119.3°
C07C08S09H14119.5°118.0°
C07C08S09H15119.5°117.9°
C07C08S09C122.3°35.9°
C07C08S09O10118.2°148.9°
C07C08S09O11113.3°77.1°
C08C07C13H179.2°90.7°
C08C07H12C13108.9°119.2°
C07C08H14H15121.5°124.0°
N06C07C08S09128.6°161.7°
N06C07C13H157.0°29.2°
C07N06C01H4118.0°175.5°
C07N06C01H50.7°55.4°
C07N06C05H1047.5°55.4°
C07N06C05H1170.9°175.4°
N06C07H12C1398.3°120.4°
N06C07C08H14111.9°80.3°
N06C07C08H159.1°43.8°
C08S09C12O10114.6°113.0°
C08S09C12O11115.9°113.0°
C08S09O10O11122.1°128.3°
S09C08C07H1287.8°77.9°
S09C08H14H15121.5°124.1°
C08S09C12H16143.9°98.7°
C08S09C12H1794.8°139.3°
S09C08C07C1322.6°41.8°
C12S09O10O11123.2°128.3°
S09C12C13H178.4°118.2°
C12S09C08H14121.8°153.9°
C12S09C08H15117.2°82.0°
S09C12H16H17121.9°122.0°
S09C12C13C0736.8°2.4°
C19C18C17H3179.7°179.9°
O10S09C08H14122.4°93.1°
O10S09C08H151.4°31.0°
O10S09C12H1629.3°14.4°
O10S09C12H17150.6°107.7°
O11S09C08H146.2°40.9°
O11S09C08H15127.2°165.0°
O11S09C12H16100.2°148.3°
O11S09C12H1721.0°26.3°
H1C13C07H12169.5°149.4°
H1C13C12H1640.9°0.8°
H1C13C12H17162.2°122.8°
H1C13O14H2254.2°57.1°
H3C17C16H180.1°0.0°
H3C17C18H190.3°0.1°
H4C01C02H6177.9°178.5°
H4C01C02H758.2°58.4°
H5C01C02H659.3°58.5°
H5C01C02H760.5°61.6°
H8C04C05H10160.6°61.7°
H8C04C05H1142.2°58.4°
H9C04C05H1042.3°58.4°
H9C04C05H1176.2°178.5°
H12C07C08H1431.7°40.1°
H12C07C08H15152.8°164.1°
H14C08C07C13142.1°159.8°
H15C08C07C1396.9°76.1°
H16C12C13C07156.1°121.3°
H17C12C13C0782.6°116.6°
H19C18C19H200.5°0.1°
H22O14C13C0766.4°175.7°

225399

PDB entries from 2024-09-25

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