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VKT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OC10doub1.22Å1.23Å
NC10sing1.34Å1.36Å
NC9sing1.38Å1.40Å
C10C2sing1.41Å1.47Å
C8C9doub1.39Å1.40ÅAromatic
C8C7sing1.38Å1.39ÅAromatic
C9C4sing1.41Å1.41ÅAromatic
C2C1sing1.51Å1.51Å
C2C3doub1.36Å1.34Å
C1Csing1.53Å1.54Å
C11C7sing1.51Å1.51Å
C11N1sing1.47Å1.47Å
C12N1sing1.47Å1.48Å
C12C13sing1.53Å1.53Å
C7C6doub1.39Å1.39ÅAromatic
N1C15sing1.47Å1.48Å
C13N2sing1.47Å1.47Å
C4C3sing1.46Å1.44Å
C4C5doub1.40Å1.40ÅAromatic
C6C5sing1.37Å1.39ÅAromatic
C15C14sing1.53Å1.53Å
N3C16doub1.31Å1.31ÅAromatic
N3C17sing1.34Å1.38ÅAromatic
N2C14sing1.47Å1.47Å
N2C16sing1.39Å1.43Å
C16N4sing1.36Å1.38ÅAromatic
C17C18doub1.34Å1.36ÅAromatic
N4C18sing1.38Å1.36ÅAromatic
N4C19sing1.46Å1.46Å
C18C20sing1.51Å1.50Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C3H3sing1.08Å1.08Å
C8H4sing1.08Å1.08Å
C11H5sing1.09Å1.10Å
C11H6sing1.09Å1.10Å
C12H7sing1.09Å1.10Å
C12H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C13H10sing1.09Å1.10Å
C14H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C19H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C20H19sing1.09Å1.10Å
C20H20sing1.09Å1.10Å
CH21sing1.09Å1.10Å
CH22sing1.09Å1.10Å
CH23sing1.09Å1.10Å
NH24sing0.97Å1.00Å
C6H25sing1.08Å1.08Å
C5H26sing1.08Å1.08Å
C17H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OC10N119.8°119.2°
OC10C2124.1°119.2°
C10NC9124.9°121.0°
NC10C2116.1°121.7°
C10NH24117.6°119.5°
NC9C8120.9°121.0°
NC9C4118.8°119.6°
C9NH24117.6°119.5°
C10C2C1116.6°119.9°
C10C2C3120.6°120.3°
C9C8C7120.8°119.8°
C8C9C4120.3°119.4°
C9C8H4119.6°120.1°
C8C7C11120.6°119.7°
C8C7C6118.6°120.6°
C7C8H4119.6°120.1°
C9C4C3117.7°119.0°
C9C4C5118.4°119.8°
C1C2C3122.8°119.8°
C2C1C117.1°109.5°
C2C1H1107.5°109.5°
C2C1H2107.5°109.5°
C2C3C4122.0°118.5°
C2C3H3119.0°120.8°
CC1H1107.5°109.4°
CC1H2107.5°109.4°
C1CH21109.5°109.5°
C1CH22109.5°109.4°
C1CH23109.5°109.4°
C7C11N1117.5°109.5°
C11C7C6120.8°119.6°
C7C11H5107.5°109.4°
C7C11H6107.4°109.5°
C11N1C12109.9°111.0°
C11N1C15111.9°111.0°
N1C11H5107.4°109.5°
N1C11H6107.5°109.5°
N1C12C13110.8°109.4°
C12N1C15109.1°110.9°
N1C12H7109.2°109.5°
N1C12H8109.1°109.5°
C12C13N2110.2°109.3°
C13C12H7109.1°109.5°
C13C12H8109.2°109.4°
C12C13H9109.3°109.5°
C12C13H10109.3°109.5°
C7C6C5121.1°120.6°
C7C6H25119.4°119.8°
N1C15C14110.4°109.4°
N1C15H13109.2°109.5°
N1C15H14109.3°109.5°
C13N2C14111.9°110.9°
C13N2C16116.0°111.0°
N2C13H9109.3°109.5°
N2C13H10109.3°109.5°
C3C4C5123.9°121.2°
C4C3H3119.0°120.7°
C4C5C6120.7°119.7°
C4C5H26119.6°120.1°
C5C6H25119.4°119.6°
C6C5H26119.7°120.2°
C15C14N2110.0°109.4°
C15C14H11109.3°109.5°
C15C14H12109.3°109.5°
C14C15H13109.2°109.5°
C14C15H14109.3°109.4°
C16N3C17104.7°109.3°
N3C16N2123.5°125.8°
N3C16N4110.9°108.4°
N3C17C18112.0°108.3°
N3C17H28124.0°125.9°
C14N2C16122.0°111.0°
N2C14H11109.4°109.5°
N2C14H12109.3°109.5°
N2C16N4125.7°125.8°
C16N4C18108.2°107.0°
C16N4C19124.4°126.5°
C17C18N4104.3°106.9°
C17C18C20130.4°126.5°
C18C17H28124.0°125.8°
C18N4C19127.4°126.5°
N4C18C20125.3°126.6°
N4C19H15109.5°109.5°
N4C19H16109.5°109.5°
N4C19H17109.5°109.4°
C18C20H18109.5°109.5°
C18C20H19109.4°109.5°
C18C20H20109.5°109.4°
H1C1H2109.5°109.4°
H5C11H6109.4°109.5°
H7C12H8109.5°109.5°
H9C13H10109.5°109.5°
H11C14H12109.5°109.5°
H13C15H14109.5°109.5°
H15C19H16109.5°109.5°
H15C19H17109.5°109.5°
H16C19H17109.4°109.4°
H18C20H19109.5°109.5°
H18C20H20109.5°109.5°
H19C20H20109.5°109.4°
H21CH22109.5°109.6°
H21CH23109.5°109.5°
H22CH23109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OC10NC2180.0°180.0°
OC10NC9179.7°180.0°
OC10C2C10.2°0.0°
OC10C2C3179.3°179.7°
OC10NH240.3°0.0°
C10NC9H24180.0°180.0°
C10NC9C8179.7°180.0°
C10NC9C40.2°0.3°
NC10C2C1179.8°180.0°
NC10C2C30.7°0.3°
C9NC10C20.3°0.0°
NC9C8C4179.9°179.7°
NC9C8C7179.7°179.9°
NC9C4C30.5°0.3°
NC9C4C5180.0°179.9°
NC9C8H40.3°0.2°
C10C2C1C3179.1°179.7°
C10C2C1C172.6°85.3°
C10C2C3C41.0°0.3°
C10C2C1H151.5°34.7°
C10C2C1H266.3°154.7°
C10C2C3H3179.0°179.8°
C2C10NH24179.7°180.0°
C9C8C7H4180.0°179.7°
C9C8C7C11179.4°179.8°
C9C8C7C60.9°0.4°
C8C9C4C3179.4°180.0°
C8C9C4C50.1°0.2°
C8C9NH240.3°0.0°
C7C8C9C40.5°0.4°
C8C7C11C6178.5°179.8°
C8C7C11N181.3°89.8°
C8C7C6C51.1°0.2°
C8C7C11H539.9°30.2°
C8C7C11H6157.6°150.2°
C8C7C6H25179.0°180.0°
C9C4C3C20.9°0.0°
C9C4C3C5179.5°179.8°
C9C4C5C60.3°0.0°
C9C4C3H3179.1°179.9°
C4C9C8H4179.5°179.9°
C4C9NH24179.8°179.7°
C9C4C5H26179.8°179.9°
C2C1CH1121.1°120.1°
C2C1CH2121.1°120.0°
C1C2C3C4179.9°180.0°
C2C1H1H2116.5°120.1°
C1C2C3H30.1°0.1°
C2C1CH21180.0°180.0°
C2C1CH2260.0°59.9°
C2C1CH2360.0°60.0°
C3C2C1C6.4°95.0°
C2C3C4H3180.0°179.9°
C2C3C4C5179.6°179.8°
C3C2C1H1127.5°145.0°
C3C2C1H2114.6°25.0°
CC1H1H2116.5°119.9°
C1CH21H22120.0°120.0°
C1CH21H23120.0°120.0°
C1CH22H23120.0°119.9°
C7C11N1H5121.2°120.0°
C7C11N1H6121.2°120.0°
C7C11N1C12176.7°170.0°
C7C11N1C1555.3°66.2°
C11C7C6C5179.6°180.0°
C11C7C8H40.6°0.1°
C7C11H5H6116.4°120.0°
C11C7C6H250.4°0.1°
C11N1C12C15123.0°123.9°
C11N1C12C13177.8°176.8°
N1C11C7C6100.3°90.0°
C11N1C15C14178.8°176.8°
N1C11H5H6116.4°120.0°
C11N1C12H757.6°63.3°
C11N1C12H862.0°56.9°
C11N1C15H1361.1°56.9°
C11N1C15H1458.7°63.2°
N1C12C13H7120.2°120.0°
N1C12C13H8120.2°120.0°
N1C12C13N257.4°58.4°
C12N1C15C1459.4°59.3°
C12N1C11H562.1°50.0°
C12N1C11H655.6°70.0°
N1C12H7H8119.4°120.1°
N1C12C13H962.7°61.6°
N1C12C13H10177.4°178.4°
C12N1C15H1360.8°179.3°
C12N1C15H14179.5°60.6°
C13C12N1C1559.2°59.3°
C12C13N2H9120.1°119.9°
C12C13N2H10120.1°119.9°
C12C13N2C1456.0°59.3°
C12C13N2C16157.9°176.8°
C13C12H7H8119.4°120.0°
C12C13H9H10119.7°120.1°
C7C6C5C40.7°0.0°
C7C6C5H25180.0°179.9°
C6C7C8H4179.1°180.0°
C6C7C11H5138.6°150.0°
C6C7C11H620.9°30.0°
C7C6C5H26179.3°179.9°
N1C15C14H13120.1°120.0°
N1C15C14H14120.2°120.0°
N1C15C14N257.8°58.4°
C15N1C11H5176.5°173.8°
C15N1C11H665.8°53.8°
C15N1C12H7179.4°60.6°
C15N1C12H861.0°179.3°
N1C15C14H11177.9°178.3°
N1C15C14H1262.2°61.6°
N1C15H13H14119.6°120.1°
C13N2C14C1556.2°59.3°
C13N2C16N324.1°0.4°
C13N2C14C16143.8°123.8°
C13N2C16N4155.5°180.0°
N2C13C12H7177.6°61.6°
N2C13C12H862.8°178.4°
N2C13H9H10119.6°120.1°
C13N2C14H11176.3°179.3°
C13N2C14H1263.8°60.6°
C3C4C5C6179.2°179.8°
C3C4C5H260.8°0.1°
C4C5C6H26180.0°179.9°
C5C4C3H30.4°0.2°
C4C5C6H25179.3°179.8°
C15C14N2H11120.1°120.0°
C15C14N2H12120.1°120.0°
C15C14N2C16160.0°176.8°
C15C14H11H12119.8°120.0°
C14C15H13H14119.6°120.0°
N3C16N2C14118.4°123.4°
N3C16N2N4179.6°179.6°
C16N3C17C180.1°0.5°
N3C16N4C180.2°0.3°
N3C16N4C19179.8°179.7°
C16N3C17H28179.9°179.8°
C17N3C16N2179.9°179.8°
C17N3C16N40.2°0.5°
N3C17C18H28180.0°179.7°
N3C17C18N40.0°0.3°
N3C17C18C20179.9°179.7°
C14N2C16N462.0°56.2°
C14N2C13H964.1°60.6°
C14N2C13H10176.1°179.3°
N2C14H11H12119.8°120.1°
N2C14C15H1362.3°178.4°
N2C14C15H14178.0°61.6°
N2C16N4C18179.9°180.0°
N2C16N4C190.2°0.0°
C16N2C13H982.0°63.3°
C16N2C13H1037.8°56.9°
C16N2C14H1139.9°56.8°
C16N2C14H1280.0°63.2°
C16N4C18C170.1°0.0°
C16N4C18C19179.9°179.9°
C16N4C18C20179.8°180.0°
C16N4C19H15180.0°90.0°
C16N4C19H1660.0°150.0°
C16N4C19H1760.0°30.1°
C17C18N4C20179.9°180.0°
C17C18N4C19179.9°179.9°
C17C18C20H1890.1°90.1°
C17C18C20H19149.9°30.0°
C17C18C20H2030.0°149.9°
C18N4C19H150.1°89.9°
C18N4C19H16120.1°30.1°
C18N4C19H17119.9°150.0°
N4C18C20H1890.1°90.0°
N4C18C20H1930.0°150.0°
N4C18C20H20149.9°30.0°
N4C18C17H28180.0°180.0°
C19N4C18C200.1°0.1°
N4C19H15H16120.0°120.0°
N4C19H15H17120.0°120.0°
N4C19H16H17120.0°119.9°
C18C20H18H19120.0°120.1°
C18C20H18H20120.0°120.0°
C18C20H19H20120.0°119.9°
C20C18C17H280.1°0.0°
H1C1CH2158.9°59.9°
H1C1CH22178.9°180.0°
H1C1CH2361.1°60.1°
H2C1CH2158.9°60.0°
H2C1CH2261.1°60.1°
H2C1CH23178.9°180.0°
H7C12C13H957.5°178.5°
H7C12C13H1062.3°58.4°
H8C12C13H9177.1°58.4°
H8C12C13H1057.3°61.6°
H11C14C15H1357.8°61.7°
H11C14C15H1461.9°58.3°
H12C14C15H13177.7°58.4°
H12C14C15H1458.0°178.4°
H15C19H16H17120.0°120.0°
H18C20H19H20120.0°120.0°
H21CH22H23120.0°120.1°
H25C6C5H260.7°0.1°

223532

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