BQ5

Bonds

First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16C15doub1.38Å1.40ÅAromatic
C16C14sing1.38Å1.40ÅAromatic
C15C12sing1.38Å1.40ÅAromatic
C14C13doub1.38Å1.40ÅAromatic
C12C6doub1.39Å1.41ÅAromatic
C13C6sing1.39Å1.40ÅAromatic
C6N1sing1.40Å1.35Å
N1N2sing1.40Å1.24ÅAromatic
N1C3sing1.36Å1.34ÅAromatic
C8C3sing1.51Å1.54Å
C8C11sing1.55Å1.53Å
N2C5doub1.31Å1.33ÅAromatic
C3C4doub1.35Å1.38ÅAromatic
C5C4sing1.40Å1.39ÅAromatic
C5C9sing1.51Å1.53Å
C4C7sing1.51Å1.54Å
C11C7sing1.54Å1.53Å
N10C9sing1.47Å1.46Å
C7H1sing1.09Å1.10Å
C7H2sing1.09Å1.10Å
C8H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C13H5sing1.08Å1.08Å
C15H6sing1.08Å1.08Å
C12H7sing1.08Å1.08Å
C16H8sing1.08Å1.08Å
C14H9sing1.08Å1.08Å
C11H10sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C9H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
N10H14sing1.01Å1.00Å
N10H15sing1.01Å1.00Å

Angles

First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15C16C14119.7°120.2°
C16C15C12120.1°120.0°
C16C15H6120.0°120.0°
C15C16H8120.2°119.9°
C16C14C13120.2°120.0°
C14C16H8120.2°119.9°
C16C14H9119.9°120.0°
C15C12C6120.9°119.9°
C12C15H6120.0°120.0°
C15C12H7119.5°120.1°
C14C13C6120.8°119.9°
C14C13H5119.6°120.0°
C13C14H9119.9°120.0°
C12C6C13118.3°119.9°
C12C6N1120.9°120.1°
C6C12H7119.5°120.0°
C13C6N1120.8°120.0°
C6C13H5119.6°120.0°
C6N1N2124.0°126.1°
C6N1C3124.3°126.0°
N2N1C3111.7°107.9°
N1N2C5110.0°108.2°
N1C3C8145.1°142.0°
N1C3C4106.3°107.7°
C3C8C11104.9°105.0°
C8C3C4108.6°110.3°
C3C8H3110.6°110.4°
C3C8H4110.6°110.4°
C8C11C7103.1°102.0°
C11C8H3110.6°110.3°
C11C8H4110.6°110.3°
C8C11H10111.0°110.9°
C8C11H11111.1°110.9°
N2C5C4107.3°108.3°
N2C5C9126.8°125.9°
C3C4C5104.8°107.9°
C3C4C7110.0°110.2°
C4C5C9125.9°125.9°
C5C4C7145.2°141.9°
C5C9N10109.9°109.4°
C5C9H12109.4°109.5°
C5C9H13109.3°109.5°
C4C7C11104.3°105.0°
C4C7H1110.7°110.3°
C4C7H2110.7°110.3°
C11C7H1110.7°110.3°
C11C7H2110.8°110.4°
C7C11H10111.0°110.9°
C7C11H11111.0°110.9°
N10C9H12109.4°109.5°
N10C9H13109.4°109.5°
C9N10H14109.5°111.0°
C9N10H15109.4°110.9°
H1C7H2109.5°110.3°
H3C8H4109.4°110.4°
H10C11H11109.4°110.9°
H12C9H13109.5°109.5°
H14N10H15109.5°111.0°

Dihedrals

First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15C16C14H8180.0°179.6°
C16C15C12H6180.0°180.0°
C15C16C14C130.0°0.3°
C16C15C12C60.3°0.0°
C16C15C12H7179.7°180.0°
C15C16C14H9180.0°180.0°
C14C16C15C120.2°0.3°
C16C14C13H9180.0°179.7°
C16C14C13C60.1°0.0°
C16C14C13H5179.8°180.0°
C14C16C15H6179.8°179.7°
C15C12C6H7180.0°180.0°
C15C12C6C130.1°0.3°
C15C12C6N1179.5°180.0°
C12C15C16H8179.8°180.0°
C14C13C6C120.1°0.3°
C14C13C6H5180.0°180.0°
C14C13C6N1179.7°180.0°
C13C14C16H8180.0°179.9°
C12C6C13N1179.6°179.7°
C12C6N1N2133.0°144.8°
C12C6N1C346.6°35.6°
C12C6C13H5179.9°179.7°
C6C12C15H6179.7°180.0°
C13C6N1N246.6°35.0°
C13C6N1C3133.8°144.7°
C13C6C12H7179.9°179.7°
C6C13C14H9179.9°179.7°
C6N1N2C3179.6°179.7°
C6N1C3C80.5°0.2°
C6N1N2C5179.8°179.7°
C6N1C3C4179.6°179.7°
N1C6C13H50.3°0.0°
N1C6C12H70.5°0.0°
N2N1C3C8179.9°180.0°
N2N1C3C40.0°0.0°
N1N2C5C40.2°0.0°
N1N2C5C9179.8°180.0°
N1C3C8C4179.9°179.9°
N1C3C8C11161.3°163.1°
C3N1N2C50.2°0.0°
N1C3C4C50.1°0.1°
N1C3C4C7179.7°180.0°
N1C3C8H379.4°78.0°
N1C3C8H442.0°44.3°
C3C8C11H3119.3°118.9°
C3C8C11H4119.3°118.9°
C8C3C4C5179.8°180.0°
C8C3C4C70.2°0.0°
C3C8C11C728.8°25.7°
C3C8H3H4122.1°122.3°
C3C8C11H10147.8°92.4°
C3C8C11H1190.2°143.9°
C11C8C3C418.6°17.0°
C8C11C7C428.5°25.7°
C8C11C7H10119.0°118.1°
C8C11C7H11119.0°118.2°
C8C11C7H1147.6°144.6°
C8C11C7H290.7°93.2°
C11C8H3H4122.1°122.1°
C8C11H10H11123.0°123.7°
N2C5C4C30.2°0.1°
N2C5C4C9180.0°179.9°
N2C5C4C7179.5°180.0°
N2C5C9N1057.4°90.0°
N2C5C9H12177.5°29.9°
N2C5C9H1362.6°149.9°
C3C4C5C7179.3°179.9°
C3C4C5C9179.8°180.0°
C3C4C7C1118.2°16.9°
C3C4C7H1137.4°135.8°
C3C4C7H2101.0°102.1°
C4C3C8H3100.7°101.9°
C4C3C8H4137.9°135.8°
C5C4C7C11161.0°163.0°
C4C5C9N10122.6°90.1°
C5C4C7H141.9°44.1°
C5C4C7H279.7°78.0°
C4C5C9H122.5°150.0°
C4C5C9H13117.4°30.0°
C9C5C4C70.5°0.1°
C5C9N10H12120.1°120.0°
C5C9N10H13120.0°120.0°
C5C9H12H13119.8°120.0°
C5C9N10H14180.0°56.0°
C5C9N10H1560.0°180.0°
C4C7C11H1119.1°118.9°
C4C7C11H2119.2°118.9°
C4C7H1H2122.4°122.1°
C4C7C11H10147.5°92.4°
C4C7C11H1190.5°143.9°
C11C7H1H2122.4°122.3°
C7C11C8H390.5°93.2°
C7C11C8H4148.1°144.6°
C7C11H10H11122.9°123.7°
N10C9H12H13119.8°120.1°
C9N10H14H15120.0°123.9°
H1C7C11H1093.4°26.5°
H1C7C11H1128.6°97.2°
H2C7C11H1028.3°148.7°
H2C7C11H11150.3°25.0°
H3C8C11H1028.5°148.7°
H3C8C11H11150.5°25.0°
H4C8C11H1092.9°26.5°
H4C8C11H1129.1°97.2°
H5C13C14H90.1°0.3°
H6C15C12H70.3°0.0°
H6C15C16H80.2°0.1°
H8C16C14H90.1°0.3°
H12C9N10H1459.9°63.9°
H12C9N10H15179.9°60.0°
H13C9N10H1460.0°176.0°
H13C9N10H1560.0°60.1°