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5UJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLCsing1.74Å1.74Å
C5Cdoub1.38Å1.38ÅAromatic
C5C4sing1.38Å1.38ÅAromatic
CL1C4sing1.74Å1.74Å
CC1sing1.38Å1.38ÅAromatic
C4C3doub1.38Å1.38ÅAromatic
C1C2doub1.38Å1.39ÅAromatic
C3C2sing1.38Å1.39ÅAromatic
C2C6sing1.51Å1.51Å
C6C7sing1.53Å1.53Å
C6C22sing1.53Å1.53Å
C7C8sing1.53Å1.52Å
C22C21sing1.53Å1.53Å
C8Nsing1.47Å1.46Å
C21Nsing1.47Å1.47Å
NC9sing1.47Å1.47Å
C9C10sing1.53Å1.52Å
C10C11sing1.51Å1.51Å
C11C13sing1.40Å1.41ÅAromatic
C11C12doub1.35Å1.37ÅAromatic
C13N2doub1.31Å1.32ÅAromatic
C12N1sing1.36Å1.35ÅAromatic
N2N1sing1.40Å1.36ÅAromatic
N1C14sing1.40Å1.42Å
N4C19doub1.30Å1.31Å
N4C18sing1.35Å1.38Å
C14C18doub1.40Å1.41ÅAromatic
C14N3sing1.32Å1.34ÅAromatic
C19N5sing1.36Å1.35Å
C18C17sing1.41Å1.40ÅAromatic
N3C15doub1.32Å1.34ÅAromatic
N5C20sing1.35Å1.35Å
C17C20sing1.47Å1.46Å
C17C16doub1.39Å1.39ÅAromatic
C15C16sing1.38Å1.38ÅAromatic
C20Odoub1.22Å1.23Å
C5H1sing1.08Å1.08Å
C6H2sing1.09Å1.10Å
C3H3sing1.08Å1.08Å
C1H4sing1.08Å1.08Å
C16H5sing1.08Å1.08Å
C15H6sing1.08Å1.08Å
N5H7sing0.97Å1.00Å
C19H8sing1.08Å1.08Å
C12H9sing1.08Å1.08Å
C13H10sing1.08Å1.08Å
C10H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
C9H14sing1.09Å1.10Å
C8H16sing1.09Å1.10Å
C8H17sing1.09Å1.10Å
C7H18sing1.09Å1.10Å
C7H19sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H23sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLCC5119.0°120.0°
CLCC1118.9°120.0°
CC5C4117.5°120.0°
C5CC1122.1°119.9°
CC5H1121.2°120.0°
C5C4CL1119.0°120.0°
C5C4C3122.1°120.0°
C4C5H1121.3°120.0°
CL1C4C3118.9°120.0°
CC1C2119.7°120.0°
CC1H4120.2°120.0°
C4C3C2119.6°120.0°
C4C3H3120.2°120.1°
C1C2C3119.1°120.0°
C1C2C6120.3°120.0°
C2C1H4120.2°120.0°
C3C2C6120.6°120.0°
C2C3H3120.2°120.0°
C2C6C7112.3°109.5°
C2C6C22113.5°109.5°
C2C6H2107.3°109.6°
C7C6C22109.1°109.2°
C6C7C8110.9°109.3°
C7C6H2107.2°109.5°
C6C7H18109.1°109.5°
C6C7H19109.1°109.6°
C6C22C21110.9°109.3°
C22C6H2107.2°109.5°
C6C22H22109.1°109.5°
C6C22H23109.1°109.5°
C7C8N111.0°109.5°
C7C8H16109.1°109.5°
C7C8H17109.1°109.4°
C8C7H18109.1°109.5°
C8C7H19109.1°109.5°
C22C21N111.0°109.5°
C22C21H20109.1°109.4°
C22C21H21109.1°109.4°
C21C22H22109.1°109.5°
C21C22H23109.1°109.5°
C8NC21108.9°111.2°
C8NC9110.4°111.0°
NC8H16109.1°109.5°
NC8H17109.1°109.5°
C21NC9111.8°111.0°
NC21H20109.1°109.5°
NC21H21109.1°109.5°
NC9C10114.6°109.5°
NC9H13108.2°109.4°
NC9H14108.2°109.5°
C9C10C11112.0°109.5°
C9C10H11108.8°109.4°
C9C10H12108.8°109.5°
C10C9H13108.2°109.4°
C10C9H14108.2°109.5°
C10C11C13128.9°126.0°
C10C11C12127.2°126.0°
C11C10H11108.8°109.5°
C11C10H12108.8°109.5°
C13C11C12103.9°108.0°
C11C13N2112.5°108.4°
C11C13H10123.8°125.8°
C11C12N1107.5°107.6°
C11C12H9126.3°126.2°
C13N2N1104.2°108.3°
N2C13H10123.8°125.8°
C12N1N2111.9°107.8°
C12N1C14127.8°126.1°
N1C12H9126.3°126.2°
N2N1C14120.1°126.1°
N1C14C18119.7°120.0°
N1C14N3114.6°120.0°
C19N4C18116.1°121.5°
N4C19N5125.1°123.5°
N4C19H8117.4°118.2°
N4C18C14122.7°122.5°
N4C18C17122.4°119.0°
C18C14N3125.2°120.0°
C14C18C17114.9°118.5°
C14N3C15116.9°122.7°
C19N5C20122.8°120.6°
C19N5H7118.6°119.7°
N5C19H8117.4°118.3°
C18C17C20118.5°118.2°
C18C17C16121.0°118.9°
N3C15C16124.1°121.5°
N3C15H6118.0°119.3°
N5C20C17115.1°117.2°
N5C20O121.2°121.4°
C20N5H7118.6°119.8°
C20C17C16120.5°122.9°
C17C20O123.7°121.4°
C17C16C15117.8°118.5°
C17C16H5121.1°120.7°
C15C16H5121.1°120.8°
C16C15H6117.9°119.2°
H11C10H12109.5°109.5°
H13C9H14109.5°109.5°
H16C8H17109.5°109.5°
H18C7H19109.5°109.5°
H20C21H21109.5°109.5°
H22C22H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLCC5C1179.3°179.9°
CLCC5C4179.3°180.0°
CLCC1C2178.9°180.0°
CLCC5H10.7°0.1°
CLCC1H41.0°0.1°
CC5C4H1180.0°179.9°
CC5C4CL1179.6°179.7°
CC5C4C30.1°0.1°
C5CC1C20.4°0.1°
C5CC1H4179.6°180.0°
C5C4CL1C3179.5°179.8°
C4C5CC10.0°0.1°
C5C4C3C20.3°0.1°
C5C4C3H3179.7°180.0°
CL1C4C3C2179.2°179.7°
CL1C4C5H10.4°0.2°
CL1C4C3H30.8°0.2°
CC1C2H4180.0°180.0°
CC1C2C30.7°0.0°
CC1C2C6177.1°179.9°
C1CC5H1180.0°180.0°
C4C3C2C10.7°0.0°
C4C3C2H3180.0°180.0°
C4C3C2C6177.1°179.9°
C3C4C5H1179.9°180.0°
C1C2C3C6177.8°179.9°
C1C2C6C785.0°60.0°
C1C2C6C22150.7°59.7°
C1C2C6H232.5°179.9°
C1C2C3H3179.3°180.0°
C3C2C6C792.8°120.0°
C3C2C6C2231.5°120.3°
C3C2C6H2149.7°0.2°
C3C2C1H4179.3°180.0°
C2C6C7C22126.7°119.9°
C2C6C7H2117.6°120.2°
C2C6C22H2118.2°120.2°
C2C6C7C8179.9°177.5°
C2C6C22C21179.0°177.6°
C6C2C3H32.9°0.0°
C6C2C1H42.9°0.0°
C2C6C7H1859.9°57.6°
C2C6C7H1959.7°62.5°
C2C6C22H2260.8°62.5°
C2C6C22H2358.7°57.6°
C7C6C22H2115.7°119.9°
C6C7C8H18120.2°119.9°
C6C7C8H19120.2°120.0°
C7C6C22C2153.0°57.7°
C6C7C8N58.9°59.1°
C6C7C8H16179.2°60.9°
C6C7C8H1761.3°179.2°
C6C7H18H19119.4°120.2°
C7C6C22H22173.2°177.6°
C7C6C22H2367.3°62.3°
C22C6C7C853.4°57.6°
C6C22C21H22120.2°120.0°
C6C22C21H23120.2°119.9°
C6C22C21N58.0°59.2°
C22C6C7H1866.8°62.3°
C22C6C7H19173.6°177.6°
C6C22C21H2062.3°179.2°
C6C22C21H21178.2°60.9°
C6C22H22H23119.3°120.1°
C7C8NH16120.3°120.0°
C7C8NH17120.2°120.0°
C7C8NC2161.8°61.7°
C7C8NC9175.1°174.1°
C8C7C6H262.3°62.3°
C7C8H16H17119.3°120.0°
C8C7H18H19119.4°120.0°
C22C21NC861.3°61.7°
C22C21NH20120.2°120.0°
C22C21NH21120.2°120.0°
C22C21NC9176.4°174.1°
C21C22C6H262.8°62.3°
C22C21H20H21119.3°119.9°
C21C22H22H23119.3°120.1°
C8NC21C9122.3°124.1°
C8NC9C10167.9°170.0°
C8NC9H1371.4°70.1°
C8NC9H1447.1°50.0°
NC8H16H17119.3°120.0°
NC8C7H1861.3°60.8°
NC8C7H19179.1°179.2°
C8NC21H2058.9°178.3°
C8NC21H21178.5°58.2°
C21NC9C1046.4°65.7°
C21NC9H13167.2°54.2°
C21NC9H1474.3°174.2°
C21NC8H16177.9°58.3°
C21NC8H1758.4°178.3°
NC21H20H21119.3°120.0°
NC21C22H22178.2°179.1°
NC21C22H2362.3°60.8°
NC9C10H13120.8°119.9°
NC9C10H14120.8°120.1°
NC9C10C11165.9°180.0°
NC9C10H1173.7°60.1°
NC9C10H1245.5°59.9°
NC9H13H14117.7°120.0°
C9NC8H1654.8°65.8°
C9NC8H1764.7°54.1°
C9NC21H2063.3°54.2°
C9NC21H2156.2°65.9°
C9C10C11H11120.4°119.9°
C9C10C11H12120.4°120.0°
C9C10C11C1394.3°90.0°
C9C10C11C1283.5°90.0°
C9C10H11H12118.8°120.0°
C10C9H13H14117.6°120.0°
C10C11C13C12178.1°180.0°
C10C11C13N2177.8°180.0°
C10C11C12N1177.5°179.8°
C10C11C12H92.5°0.2°
C10C11C13H102.2°0.2°
C11C10H11H12118.9°120.0°
C11C10C9H1345.2°60.0°
C11C10C9H1473.3°60.0°
C11C13N2H10180.0°179.9°
C13C11C12N10.7°0.2°
C11C13N2N10.1°0.1°
C13C11C12H9179.3°179.8°
C13C11C10H11145.3°150.0°
C13C11C10H1226.1°30.0°
C12C11C13N20.3°0.0°
C11C12N1H9180.0°180.0°
C11C12N1N20.8°0.2°
C11C12N1C14174.8°180.0°
C12C11C13H10179.7°179.9°
C12C11C10H1136.9°30.0°
C12C11C10H12156.2°150.0°
C13N2N1C120.6°0.2°
C13N2N1C14175.4°180.0°
C12N1N2C14176.0°179.7°
C12N1C14C184.1°155.0°
C12N1C14N3168.4°25.0°
N2N1C14C18179.4°25.3°
N2N1C14N36.9°154.7°
N2N1C12H9179.2°179.7°
N1N2C13H10179.9°180.0°
N1C14C18N414.4°0.1°
N1C14C18N3171.6°180.0°
N1C14C18C17167.0°180.0°
N1C14N3C15168.1°180.0°
C14N1C12H95.2°0.0°
C19N4C18C14178.9°179.7°
N4C19N5H8180.0°179.9°
C19N4C18C170.4°0.2°
N4C19N5C200.6°0.0°
N4C19N5H7179.4°180.0°
N4C18C14C17178.6°180.0°
N4C18C14N3174.0°180.0°
C18N4C19N50.8°0.2°
N4C18C17C201.8°0.0°
N4C18C17C16176.5°180.0°
C18N4C19H8179.2°179.7°
C18C14N3C153.9°0.0°
C14C18C17C20179.7°180.0°
C14C18C17C162.0°0.0°
N3C14C18C174.6°0.0°
C14N3C15C160.5°0.0°
C14N3C15H6179.5°180.0°
C19N5C20H7180.0°180.0°
C19N5C20C170.8°0.3°
C19N5C20O177.1°179.9°
C18C17C20N51.9°0.3°
C18C17C20C16178.3°180.0°
C18C17C16C150.8°0.0°
C18C17C20O175.9°180.0°
C18C17C16H5179.2°180.0°
N3C15C16C171.7°0.0°
N3C15C16H6180.0°180.0°
N3C15C16H5178.3°180.0°
N5C20C17O177.8°179.8°
N5C20C17C16176.4°179.7°
C20N5C19H8179.4°180.0°
C20C17C16C15177.4°180.0°
C20C17C16H52.6°0.0°
C17C20N5H7179.2°179.7°
C17C16C15H5180.0°180.0°
C16C17C20O5.8°0.0°
C17C16C15H6178.3°180.0°
OC20N5H72.9°0.1°
H2C6C7H18177.4°177.8°
H2C6C7H1957.8°57.7°
H2C6C22H2257.5°57.7°
H2C6C22H23177.0°177.8°
H5C16C15H61.7°0.1°
H7N5C19H80.6°0.0°
H11C10C9H13165.6°180.0°
H11C10C9H1447.1°60.0°
H12C10C9H1375.2°60.0°
H12C10C9H14166.3°180.0°
H16C8C7H1859.0°179.2°
H16C8C7H1960.7°59.1°
H17C8C7H18178.5°59.3°
H17C8C7H1958.9°60.8°
H20C21C22H2257.9°60.8°
H20C21C22H23177.5°59.2°
H21C21C22H2261.6°59.1°
H21C21C22H2357.9°179.2°

222624

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