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NND

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O6C6sing1.43Å1.46Å
O6H6sing0.97Å0.95Å
C6C5sing1.53Å1.56Å
C6H6C1sing1.09Å1.10Å
C6H6C2sing1.09Å1.10Å
C5C4sing1.53Å1.54Å
C5N1sing1.47Å1.47Å
C5H5sing1.09Å1.10Å
C4O4sing1.43Å1.43Å
C4C31sing1.53Å1.55Å
C4H4sing1.09Å1.10Å
O4HAsing0.97Å0.95Å
O3C31sing1.43Å1.44Å
O3H3sing0.97Å0.95Å
C2O2sing1.43Å1.44Å
C2C1sing1.53Å1.52Å
C2C31sing1.53Å1.54Å
C2H2sing1.09Å1.10Å
O2HBsing0.97Å0.95Å
N1C8sing1.47Å1.47Å
N1C1sing1.47Å1.48Å
C8C7sing1.53Å1.51Å
C8H8C1sing1.09Å1.10Å
C8H8C2sing1.09Å1.10Å
C7C9sing1.53Å1.52Å
C7H7C1sing1.09Å1.10Å
C7H7C2sing1.09Å1.10Å
C1H1C1sing1.09Å1.10Å
C1H1C2sing1.09Å1.10Å
C9C10sing1.53Å1.53Å
C9H9C1sing1.09Å1.10Å
C9H9C2sing1.09Å1.10Å
C10C14sing1.53Å1.54Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C14C13sing1.53Å1.52Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C13C12sing1.53Å1.52Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C12C11sing1.53Å1.52Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C16C11sing1.53Å1.51Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C16H163sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C31H31sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6O6H6109.5°114.0°
O6C6C5113.6°109.5°
O6C6H6C1108.1°109.4°
O6C6H6C2107.2°109.5°
C5C6H6C1108.1°109.5°
C5C6H6C2107.2°109.5°
C6C5C4113.9°109.5°
C6C5N1109.6°109.4°
C6C5H5104.6°109.4°
H6C1C6H6C2112.7°109.4°
C4C5N1103.2°109.5°
C4C5H5110.8°109.5°
C5C4O4108.3°109.5°
C5C4C31111.6°109.3°
C5C4H4110.6°109.5°
N1C5H5115.1°109.4°
C5N1C8111.6°111.0°
C5N1C1113.4°111.2°
O4C4C31114.1°109.5°
O4C4H4107.8°109.5°
C4O4HA109.5°114.0°
C31C4H4104.3°109.5°
C4C31O3112.9°109.5°
C4C31C2112.2°109.1°
C4C31H31104.1°109.5°
C31O3H3109.5°114.0°
O3C31C2106.2°109.6°
O3C31H31110.3°109.5°
O2C2C1105.2°109.5°
O2C2C31109.4°109.5°
O2C2H2112.6°109.5°
C2O2HB109.5°114.1°
C1C2C31110.5°109.3°
C1C2H2111.6°109.5°
C2C1N1114.9°109.5°
C2C1H1C1107.7°109.5°
C2C1H1C2106.4°109.5°
C31C2H2107.6°109.6°
C2C31H31111.1°109.6°
C8N1C1118.4°111.0°
N1C8C7107.7°109.5°
N1C8H8C1110.1°109.5°
N1C8H8C2110.4°109.5°
N1C1H1C1107.7°109.5°
N1C1H1C2106.4°109.4°
C7C8H8C1110.1°109.5°
C7C8H8C2110.4°109.5°
C8C7C9106.4°109.5°
C8C7H7C1110.5°109.4°
C8C7H7C2111.2°109.5°
H8C1C8H8C2108.1°109.5°
C9C7H7C1110.5°109.5°
C9C7H7C2111.2°109.5°
C7C9C10113.2°109.4°
C7C9H9C1108.3°109.4°
C7C9H9C2107.4°109.5°
H7C1C7H7C2107.1°109.5°
H1C1C1H1C2113.9°109.4°
C10C9H9C1108.2°109.5°
C10C9H9C2107.4°109.5°
C9C10C14104.2°109.4°
C9C10H101111.3°109.5°
C9C10H102112.4°109.5°
H9C1C9H9C2112.4°109.5°
C14C10H101111.3°109.4°
C14C10H102112.4°109.4°
C10C14C13110.7°109.5°
C10C14H141109.1°109.5°
C10C14H142108.8°109.5°
H101C10H102105.5°109.5°
C13C14H141109.1°109.4°
C13C14H142108.8°109.5°
C14C13C12110.2°109.5°
C14C13H131109.2°109.4°
C14C13H132109.1°109.5°
H141C14H142110.4°109.5°
C12C13H131109.3°109.5°
C12C13H132109.1°109.5°
C13C12C11110.2°109.5°
C13C12H121109.2°109.4°
C13C12H122109.1°109.5°
H131C13H132110.0°109.4°
C11C12H121109.2°109.5°
C11C12H122109.1°109.5°
C12C11C16107.2°109.5°
C12C11H111110.2°109.5°
C12C11H112110.7°109.5°
H121C12H122110.1°109.5°
C11C16H161109.5°109.5°
C11C16H162109.5°109.5°
C11C16H163109.5°109.5°
C16C11H111110.3°109.4°
C16C11H112110.7°109.4°
H161C16H162109.5°109.5°
H161C16H163109.5°109.4°
H162C16H163109.5°109.5°
H111C11H112107.7°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O6C6C5H6C1120.0°120.0°
O6C6C5H6C2118.2°120.0°
O6C6H6C1H6C2118.3°120.0°
O6C6C5C456.6°56.5°
O6C6C5N158.4°63.6°
O6C6C5H5177.7°176.5°
H6O6C6C5104.9°180.0°
H6O6C6H6C115.1°60.0°
H6O6C6H6C2136.9°59.9°
C5C6H6C1H6C2118.3°120.0°
C6C5C4N1118.7°120.0°
C6C5C4H5117.6°120.0°
C6C5N1H5117.5°119.9°
C6C5C4O450.9°60.9°
C6C5C4C31177.4°179.2°
C6C5C4H467.0°59.1°
C6C5N1C836.8°54.1°
C6C5N1C1173.6°178.3°
H6C1C6C5C463.4°63.5°
H6C1C6C5N1178.4°176.5°
H6C1C6C5H557.7°56.6°
H6C2C6C5C4174.8°176.5°
H6C2C6C5N159.8°56.5°
H6C2C6C5H564.1°63.4°
C4C5N1H5120.8°120.1°
C5C4O4C31124.9°119.8°
C5C4O4H4119.7°120.1°
C5C4C31H4119.4°120.0°
C5C4O4HA102.6°180.0°
C5C4C31O3176.2°177.6°
C5C4C31C256.2°57.7°
C4C5N1C8158.5°174.1°
C4C5N1C164.8°61.7°
C5C4C31H3164.1°62.3°
N1C5C4O4169.6°179.1°
N1C5C4C3163.9°59.2°
N1C5C4H451.6°60.8°
C5N1C1C258.2°61.7°
C5N1C8C1134.4°124.2°
C5N1C8C7177.2°173.0°
C5N1C8H8C157.2°67.1°
C5N1C8H8C262.1°52.9°
C5N1C1H1C1178.2°178.2°
C5N1C1H1C259.3°58.3°
H5C5C4O466.7°59.1°
H5C5C4C3159.8°60.8°
H5C5C4H4175.4°179.1°
H5C5N1C880.7°65.8°
H5C5N1C156.1°58.3°
O4C4C31H4117.4°120.1°
O4C4C31O360.6°62.5°
O4C4C31C2179.4°177.6°
O4C4C31H3159.1°57.6°
C31C4O4HA22.4°60.2°
C4C31O3C2123.4°119.7°
C4C31O3H31116.1°120.1°
C4C31O3H380.1°180.0°
C4C31C2O2158.4°177.6°
C4C31C2C143.0°57.6°
C4C31C2H31116.1°119.9°
C4C31C2H279.0°62.3°
H4C4O4HA137.7°59.9°
H4C4C31O356.8°57.6°
H4C4C31C263.2°62.4°
H4C4C31H31176.5°177.7°
O3C31C2O277.8°62.5°
O3C31C2C1166.8°177.6°
O3C31C2H31120.0°120.2°
O3C31C2H244.8°57.6°
H3O3C31C243.3°60.3°
H3O3C31H31163.8°59.9°
O2C2C1C31117.9°119.9°
O2C2C1H2122.4°120.0°
O2C2C31H2122.6°120.1°
O2C2C1N1161.7°179.1°
O2C2C1H1C178.3°60.8°
O2C2C1H1C244.1°59.1°
O2C2C31H3142.3°57.7°
C1C2C31H2122.0°120.0°
C1C2O2HB46.3°60.0°
C2C1N1C8168.2°174.2°
C2C1N1H1C1120.0°120.1°
C2C1N1H1C2117.5°120.0°
C2C1H1C1H1C2117.7°120.0°
C1C2C31H3173.1°62.3°
C31C2O2HB165.0°179.8°
C31C2C1N143.7°59.2°
C31C2C1H1C1163.7°179.2°
C31C2C1H1C273.8°60.8°
H2C2O2HB75.4°60.1°
H2C2C1N175.9°60.8°
H2C2C1H1C144.1°59.2°
H2C2C1H1C2166.5°179.1°
H2C2C31H31164.9°177.7°
N1C8C7H8C1120.0°120.0°
N1C8C7H8C2120.7°120.0°
N1C8H8C1H8C2120.7°120.0°
N1C8C7C9155.0°180.0°
N1C8C7H7C135.0°60.1°
N1C8C7H7C283.9°60.0°
C8N1C1H1C148.2°54.1°
C8N1C1H1C274.3°65.8°
C1N1C8C742.9°62.8°
C1N1C8H8C177.1°57.2°
C1N1C8H8C2163.6°177.2°
N1C1H1C1H1C2117.7°119.9°
C7C8H8C1H8C2120.7°120.0°
C8C7C9H7C1120.0°119.9°
C8C7C9H7C2121.2°120.0°
C8C7H7C1H7C2121.2°120.0°
C8C7C9C10179.5°180.0°
C8C7C9H9C160.4°60.1°
C8C7C9H9C261.2°60.0°
H8C1C8C7C985.0°60.0°
H8C1C8C7H7C1155.0°180.0°
H8C1C8C7H7C236.2°60.0°
H8C2C8C7C934.3°60.0°
H8C2C8C7H7C185.7°60.0°
H8C2C8C7H7C2155.5°NaN°
C9C7H7C1H7C2121.2°120.1°
C7C9C10H9C1120.0°119.9°
C7C9C10H9C2118.3°120.0°
C7C9H9C1H9C2118.5°120.0°
C7C9C10C14177.2°180.0°
C7C9C10H10162.8°60.1°
C7C9C10H10255.3°60.0°
H7C1C7C9C1059.5°60.1°
H7C1C7C9H9C1179.5°180.0°
H7C1C7C9H9C258.8°59.9°
H7C2C7C9C1059.3°60.0°
H7C2C7C9H9C160.7°60.0°
H7C2C7C9H9C2177.6°180.0°
C10C9H9C1H9C2118.5°120.1°
C9C10C14H101120.0°120.0°
C9C10C14H102121.9°120.0°
C9C10H101H102122.1°120.1°
C9C10C14C13157.5°180.0°
C9C10C14H14182.5°60.0°
C9C10C14H14238.0°60.0°
H9C1C9C10C1457.2°60.1°
H9C1C9C10H101177.2°180.0°
H9C1C9C10H10264.8°59.9°
H9C2C9C10C1464.5°60.0°
H9C2C9C10H10155.6°60.0°
H9C2C9C10H102173.6°180.0°
C14C10H101H102122.2°119.9°
C10C14C13H141120.0°120.0°
C10C14C13H142119.5°120.0°
C10C14H141H142119.5°120.0°
C10C14C13C12106.8°180.0°
C10C14C13H13113.2°60.0°
C10C14C13H132133.5°59.9°
H101C10C14C1337.5°60.0°
H101C10C14H141157.5°180.0°
H101C10C14H14282.0°60.0°
H102C10C14C1380.6°60.0°
H102C10C14H14139.4°60.0°
H102C10C14H142159.9°180.0°
C13C14H141H142119.5°120.0°
C14C13C12H131120.0°120.0°
C14C13C12H132119.7°120.1°
C14C13H131H132119.7°120.0°
C14C13C12C11169.2°180.0°
C14C13C12H12170.9°60.0°
C14C13C12H12249.5°60.0°
H141C14C13C12133.2°60.0°
H141C14C13H131106.8°180.0°
H141C14C13H13213.5°60.1°
H142C14C13C1212.7°60.0°
H142C14C13H131132.7°60.0°
H142C14C13H132107.0°180.0°
C12C13H131H132119.7°120.0°
C13C12C11H121120.0°120.0°
C13C12C11H122119.7°120.0°
C13C12H121H122119.7°120.0°
C13C12C11C16127.9°NaN°
C13C12C11H1117.9°60.0°
C13C12C11H112111.2°60.0°
H131C13C12C1149.2°60.0°
H131C13C12H121169.2°180.0°
H131C13C12H12270.5°60.0°
H132C13C12C1171.1°60.0°
H132C13C12H12148.9°60.1°
H132C13C12H122169.2°180.0°
C11C12H121H122119.7°120.0°
C12C11C16H111120.0°120.0°
C12C11C16H112120.9°120.0°
C12C11C16H161153.5°60.0°
C12C11C16H16233.5°60.0°
C12C11C16H16386.5°180.0°
C12C11H111H112120.9°120.1°
H121C12C11C16112.1°60.0°
H121C12C11H111127.9°180.0°
H121C12C11H1128.8°59.9°
H122C12C11C168.2°60.0°
H122C12C11H111111.8°60.0°
H122C12C11H112129.1°180.0°
C11C16H161H162120.0°120.0°
C11C16H161H163120.0°120.0°
C11C16H162H163120.0°120.0°
C16C11H111H112120.9°119.9°
H161C16H162H163120.0°120.0°
H161C16C11H11186.5°180.0°
H161C16C11H11232.6°60.0°
H162C16C11H111153.5°60.0°
H162C16C11H11287.4°180.0°
H163C16C11H11133.5°60.0°
H163C16C11H112152.6°60.0°

248636

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