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Q93

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C16sing1.57Å1.54Å
C15C14sing1.57Å1.53Å
C16C1sing1.56Å1.57Å
C16C18sing1.56Å1.53Å
C1C2sing1.55Å1.55Å
C1Csing1.51Å1.52Å
C14C2sing1.56Å1.56Å
C14C17sing1.56Å1.55Å
C2C3sing1.51Å1.50Å
O2Cdoub1.21Å1.19Å
C18C17sing1.55Å1.54Å
COsing1.34Å1.29Å
C3O1doub1.21Å1.21Å
C1H1sing1.09Å1.10Å
C17H3sing1.09Å1.10Å
C17H4sing1.09Å1.10Å
C18H5sing1.09Å1.10Å
C18H6sing1.09Å1.10Å
C15H7sing1.09Å1.10Å
C15H8sing1.09Å1.10Å
C14H9sing1.09Å1.10Å
OH10sing0.97Å0.95Å
C16H11sing1.09Å1.10Å
C2H12sing1.09Å1.10Å
C3N1sing1.35Å32.11Å
N1C5sing1.47Å0.00Å
N1C6sing1.47Å0.00Å
C6C7sing1.53Å0.00Å
C5C8sing1.53Å0.00Å
C7N2sing1.47Å0.00Å
C8N2sing1.46Å0.00Å
N2C10sing1.40Å0.00Å
C10C11sing1.39Å0.00ÅAromatic
C10C12doub1.39Å0.00ÅAromatic
C12C13sing1.38Å0.00ÅAromatic
C11C19doub1.38Å0.00ÅAromatic
C19C20sing1.38Å0.00ÅAromatic
C13C20doub1.39Å0.00ÅAromatic
C20F1sing1.35Å0.00Å
C5H2sing1.09Å0.00Å
C5H13sing1.09Å0.00Å
C6H14sing1.09Å0.00Å
C6H15sing1.09Å0.00Å
C7H16sing1.09Å0.00Å
C7H17sing1.09Å0.00Å
C8H18sing1.09Å0.00Å
C8H19sing1.09Å0.00Å
C11H20sing1.08Å0.00Å
C12H21sing1.08Å0.00Å
C13H22sing1.08Å0.00Å
C19H23sing1.08Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C16C15C1494.2°96.1°
C15C16C1103.0°100.6°
C15C16C18100.7°100.6°
C16C15H7113.1°112.1°
C16C15H8113.2°112.1°
C15C16H11114.7°116.2°
C15C14C2100.7°100.6°
C15C14C17101.6°100.6°
C14C15H7113.1°112.0°
C14C15H8113.2°112.0°
C15C14H9115.0°116.3°
C1C16C18107.9°104.5°
C16C1C2102.7°104.7°
C16C1C114.3°110.4°
C16C1H1106.8°110.5°
C1C16H11114.2°115.9°
C16C18C17102.9°104.7°
C16C18H5111.1°110.4°
C16C18H6111.1°110.5°
C18C16H11114.8°116.6°
C2C1C117.9°110.4°
C1C2C14102.8°104.6°
C1C2C3115.9°110.4°
C2C1H1107.0°110.4°
C1C2H12107.3°110.4°
C1CO2122.3°120.0°
C1CO114.3°120.0°
CC1H1107.4°110.3°
C2C14C17108.9°104.5°
C14C2C3115.2°110.4°
C2C14H9114.5°115.9°
C14C2H12107.2°110.4°
C14C17C18103.6°104.7°
C14C17H3110.9°110.4°
C14C17H4110.9°110.5°
C17C14H9114.6°116.5°
C2C3O1119.8°120.0°
C3C2H12107.9°110.5°
C2C3N160.4°120.0°
O2CO123.3°120.0°
C18C17H3110.9°110.4°
C18C17H4111.0°110.4°
C17C18H5111.1°110.5°
C17C18H6111.1°110.4°
COH10109.5°117.0°
O1C3N1147.1°120.0°
H3C17H4109.4°110.4°
H5C18H6109.4°110.3°
H7C15H8109.4°111.8°
C3N1C590.0°120.9°
C3N1C690.0°120.9°
C5N1C690.0°118.3°
N1C5C890.0°108.5°
N1C5H290.0°109.6°
N1C5H1390.0°109.6°
N1C6C790.0°108.5°
N1C6H1490.0°109.6°
N1C6H1590.0°109.6°
C6C7N290.0°109.3°
C7C6H1490.0°109.6°
C7C6H1590.0°109.6°
C6C7H1690.0°109.5°
C6C7H1790.0°109.4°
C5C8N290.0°109.4°
C8C5H290.0°109.7°
C8C5H1390.0°109.7°
C5C8H1890.0°109.5°
C5C8H1990.0°109.5°
C7N2C890.0°111.1°
C7N2C1090.0°111.0°
N2C7H1690.0°109.5°
N2C7H1790.0°109.5°
C8N2C1090.0°110.9°
N2C8H1890.0°109.4°
N2C8H1990.0°109.5°
N2C10C1190.0°120.0°
N2C10C1290.0°120.1°
C11C10C1290.0°119.9°
C10C11C1990.0°119.9°
C10C11H2090.0°120.1°
C10C12C1390.0°120.0°
C10C12H2190.0°120.0°
C12C13C2090.0°120.0°
C13C12H2190.0°120.0°
C12C13H2290.0°120.0°
C11C19C2090.0°120.0°
C19C11H2090.0°120.0°
C11C19H2390.0°120.0°
C19C20C1390.0°120.1°
C19C20F190.0°119.9°
C20C19H2390.0°120.0°
C13C20F190.0°120.0°
C20C13H2290.0°120.0°
H2C5H1390.0°109.8°
H14C6H1590.0°109.8°
H16C7H1790.0°109.5°
H18C8H1990.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C16C15C14H7117.4°116.8°
C16C15C14H8117.4°116.8°
C15C16C1C18105.9°104.1°
C15C16C1H11125.0°126.2°
C15C16C18H11123.8°126.6°
C15C16C1C229.0°33.8°
C15C16C1C158.0°152.6°
C16C15C14C257.8°53.6°
C16C15C14C1754.3°53.5°
C15C16C18C1739.6°33.8°
C15C16C1H183.5°85.1°
C15C16C18H5158.6°85.1°
C15C16C18H679.3°152.7°
C16C15H7H8127.2°126.8°
C16C15C14H9178.6°179.6°
C14C15C16C153.4°53.6°
C14C15C16C1858.0°53.6°
C15C14C2C141.4°33.8°
C15C14C2C17106.3°104.0°
C15C14C2H9124.0°126.3°
C15C14C17H9124.6°126.6°
C15C14C2C3168.3°152.5°
C15C14C17C1831.4°33.7°
C15C14C17H387.7°152.6°
C15C14C17H4150.4°85.1°
C14C15H7H8127.2°126.5°
C14C15C16H11178.1°179.6°
C15C14C2H1271.6°85.0°
C1C16C18H11128.7°129.4°
C16C1C2C126.6°118.8°
C16C1C2H1112.3°119.0°
C16C1CH1118.3°122.5°
C16C1C2C147.2°0.0°
C16C1C2C3133.7°118.8°
C16C1CO2102.3°14.2°
C1C16C18C1767.9°70.2°
C16C1CO73.7°165.7°
C1C16C18H551.1°170.9°
C1C16C18H6173.2°48.6°
C1C16C15H7170.8°63.1°
C1C16C15H864.0°170.3°
C16C1C2H12105.7°118.8°
C18C16C1C276.9°70.2°
C18C16C1C52.0°48.6°
C16C18C17C145.1°0.0°
C16C18C17H5119.0°118.8°
C16C18C17H6118.9°118.9°
C18C16C1H1170.6°170.9°
C16C18C17H3124.2°118.8°
C16C18C17H4114.0°118.9°
C16C18H5H6123.0°122.4°
C18C16C15H759.4°170.3°
C18C16C15H8175.4°63.1°
C2C1CH1120.9°122.3°
C1C2C14C3127.0°118.8°
C1C2C14H12112.9°118.8°
C1C2C14C1764.9°70.3°
C1C2C3H12120.3°122.4°
C2C1CO2136.9°129.4°
C2C1CO47.1°50.5°
C1C2C3O1119.9°42.6°
C1C2C14H9165.3°160.0°
C2C1C16H11154.1°160.0°
C1C2C3N198.2°137.4°
CC1C2C14119.4°118.8°
CC1C2C37.1°0.0°
C1CO2O175.7°179.9°
C1COH10176.0°174.9°
CC1C16H1177.0°81.2°
CC1C2H12127.7°122.4°
C2C14C17H9129.7°129.3°
C14C2C3H12119.7°122.4°
C2C14C17C1874.4°70.3°
C14C2C3O10.1°72.6°
C14C2C1H1119.6°118.9°
C2C14C17H3166.6°48.5°
C2C14C17H444.7°170.9°
C2C14C15H7175.2°63.2°
C2C14C15H859.6°170.3°
C14C2C3N1141.8°107.4°
C17C14C2C362.0°48.5°
C14C17C18H3119.1°118.8°
C14C17C18H4119.1°118.9°
C14C17H3H4122.7°122.4°
C14C17C18H5124.1°118.8°
C14C17C18H6113.8°118.9°
C17C14C15H763.1°170.3°
C17C14C15H8171.7°63.2°
C17C14C2H12177.9°170.9°
C2C3O1N180.5°180.0°
C3C2C1H1113.9°122.3°
C3C2C14H967.7°81.2°
C2C3N1C590.0°175.4°
C2C3N1C690.0°4.3°
O2CC1H116.0°108.3°
O2COH100.0°5.2°
C18C17H3H4122.8°122.3°
C17C18H5H6123.1°122.4°
C18C17C14H9156.0°160.4°
C17C18C16H11163.4°160.4°
OCC1H1168.0°71.8°
O1C3C2H12119.8°165.0°
O1C3N1C590.0°4.5°
O1C3N1C690.0°175.8°
H1C1C16H1141.6°41.1°
H1C1C2H126.7°0.2°
H3C17C18H5116.9°122.4°
H3C17C18H65.2°0.1°
H3C17C14H936.9°80.8°
H4C17C18H55.0°0.1°
H4C17C18H6127.1°122.2°
H4C17C14H985.0°41.5°
H5C18C16H1177.6°41.5°
H6C18C16H1144.5°80.8°
H7C15C14H961.2°62.8°
H7C15C16H1164.5°62.9°
H8C15C14H964.0°63.6°
H8C15C16H1160.7°63.7°
H9C14C2H1252.4°41.2°
H12C2C3N122.1°15.0°
C3N1C5C690.0°179.7°
C3N1C6C790.0°128.8°
C3N1C5C890.0°128.8°
C3N1C5H290.0°111.5°
C3N1C5H1390.0°9.1°
C3N1C6H1490.0°9.1°
C3N1C6H1590.0°111.5°
C5N1C6C790.0°50.9°
N1C5C8H290.0°119.7°
N1C5C8H1390.0°119.7°
N1C5C8N290.0°53.9°
N1C5H2H1390.0°120.4°
C5N1C6H1490.0°170.6°
C5N1C6H1590.0°68.8°
N1C5C8H1890.0°173.8°
N1C5C8H1990.0°66.1°
N1C6C7H1490.0°119.7°
N1C6C7H1590.0°119.7°
C6N1C5C890.0°50.9°
N1C6C7N290.0°53.8°
C6N1C5H290.0°68.8°
C6N1C5H1390.0°170.6°
N1C6H14H1590.0°120.5°
N1C6C7H1690.0°66.2°
N1C6C7H1790.0°173.8°
C6C7N2H1690.0°119.9°
C6C7N2H1790.0°119.9°
C6C7N2C890.0°63.4°
C6C7N2C1090.0°172.7°
C7C6H14H1590.0°120.5°
C6C7H16H1790.0°120.0°
C5C8N2C790.0°63.4°
C5C8N2H1890.0°119.9°
C5C8N2H1990.0°120.0°
C5C8N2C1090.0°172.7°
C8C5H2H1390.0°120.5°
C5C8H18H1990.0°120.1°
C7N2C8C1090.0°123.9°
C7N2C10C1190.0°180.0°
C7N2C10C1290.0°0.3°
N2C7C6H1490.0°173.5°
N2C7C6H1590.0°65.9°
N2C7H16H1790.0°120.1°
C7N2C8H1890.0°176.7°
C7N2C8H1990.0°56.6°
C8N2C10C1190.0°56.0°
C8N2C10C1290.0°123.8°
N2C8C5H290.0°65.8°
N2C8C5H1390.0°173.6°
C8N2C7H1690.0°56.6°
C8N2C7H1790.0°176.7°
N2C8H18H1990.0°120.1°
N2C10C11C1290.0°179.7°
N2C10C12C1390.0°179.9°
N2C10C11C1990.0°180.0°
C10N2C7H1690.0°67.3°
C10N2C7H1790.0°52.8°
C10N2C8H1890.0°52.8°
C10N2C8H1990.0°67.3°
N2C10C11H2090.0°0.1°
N2C10C12H2190.0°0.0°
C11C10C12C1390.0°0.2°
C10C11C19H2090.0°180.0°
C10C11C19C2090.0°0.0°
C11C10C12H2190.0°179.7°
C10C11C19H2390.0°180.0°
C10C12C13H2190.0°179.9°
C12C10C11C1990.0°0.2°
C10C12C13C2090.0°0.0°
C12C10C11H2090.0°179.8°
C10C12C13H2290.0°180.0°
C12C13C20C1990.0°0.3°
C12C13C20H2290.0°180.0°
C12C13C20F190.0°180.0°
C11C19C20H2390.0°180.0°
C11C19C20C1390.0°0.2°
C11C19C20F190.0°180.0°
C19C20C13F190.0°179.7°
C20C19C11H2090.0°180.0°
C19C20C13H2290.0°179.8°
C20C13C12H2190.0°180.0°
C13C20C19H2390.0°179.8°
F1C20C13H2290.0°0.0°
F1C20C19H2390.0°0.0°
H2C5C8H1890.0°54.1°
H2C5C8H1990.0°174.2°
H13C5C8H1890.0°66.5°
H13C5C8H1990.0°53.6°
H14C6C7H1690.0°53.5°
H14C6C7H1790.0°66.5°
H15C6C7H1690.0°174.1°
H15C6C7H1790.0°54.1°
H20C11C19H2390.0°0.0°
H21C12C13H2290.0°0.1°

222415

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