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04D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CANsing1.47Å1.45Å
NHsing1.01Å1.00Å
COsing1.43Å1.48Å
OHO6sing0.97Å0.95Å
O7C27sing1.43Å1.50Å
O7HO7sing0.97Å0.95Å
CCAsing1.53Å1.62Å
C26CAsing1.53Å1.57Å
CAHAsing1.09Å1.10Å
C29Csing1.53Å1.71Å
CH21sing1.09Å1.10Å
C26C23sing1.53Å1.59Å
C23C25sing1.53Å1.52Å
C23C24sing1.53Å1.56Å
C23H23sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C24H24Bsing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C25H25Bsing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C29C27sing1.53Å1.66Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C29C28sing1.53Å1.61Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C28H28Bsing1.09Å1.10Å
C29H29sing1.09Å1.10Å
NH2sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANH109.5°111.0°
NCAC117.4°109.5°
NCAC26104.2°109.4°
NCAHA107.4°109.4°
CANH2109.5°111.0°
HNH2109.4°111.0°
COHO6109.5°113.9°
OCCA97.9°109.5°
OCC2995.1°109.5°
OCH21114.7°109.5°
C27O7HO7109.5°114.0°
O7C27C29114.4°109.5°
O7C27H27108.2°109.5°
O7C27H27A108.2°109.5°
CCAC26115.4°109.5°
CCAHA105.6°109.5°
CACC29123.3°109.5°
CACH21112.5°109.5°
C26CAHA106.0°109.5°
CAC26C23117.5°109.5°
CAC26H26107.4°109.5°
CAC26H26A107.4°109.5°
C29CH21111.2°109.4°
CC29C27123.9°109.5°
CC29C28114.0°109.4°
CC29H29103.6°109.5°
C26C23C25108.7°109.4°
C26C23C24117.4°109.5°
C26C23H23107.8°109.4°
C23C26H26107.4°109.4°
C23C26H26A107.4°109.5°
C25C23C24105.9°109.5°
C25C23H23108.7°109.5°
C23C25H25109.5°109.5°
C23C25H25A109.5°109.5°
C23C25H25B109.5°109.5°
C24C23H23108.2°109.5°
C23C24H24109.5°109.4°
C23C24H24A109.5°109.5°
C23C24H24B109.4°109.5°
H24C24H24A109.5°109.5°
H24C24H24B109.5°109.5°
H24AC24H24B109.5°109.4°
H25C25H25A109.4°109.5°
H25C25H25B109.5°109.4°
H25AC25H25B109.5°109.5°
H26C26H26A109.5°109.4°
C29C27H27108.2°109.5°
C29C27H27A108.2°109.5°
C27C29C28104.8°109.5°
C27C29H29104.0°109.5°
H27C27H27A109.4°109.5°
C29C28H28109.5°109.4°
C29C28H28A109.4°109.4°
C29C28H28B109.5°109.5°
C28C29H29104.4°109.5°
H28C28H28A109.5°109.5°
H28C28H28B109.5°109.5°
H28AC28H28B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANHH2120.0°124.0°
NCACO82.5°179.3°
NCACC26123.5°120.0°
NCACHA119.7°120.0°
NCAC26HA113.2°120.0°
NCACC2918.9°60.7°
NCACH21156.6°59.3°
NCAC26C23108.6°65.4°
NCAC26H2612.6°54.6°
NCAC26H26A130.3°174.6°
HNCAC180.0°56.9°
HNCAC2651.0°63.1°
HNCAHA61.2°176.9°
OCCAC29101.4°120.0°
OCCAH21120.9°120.0°
OCCAC26153.9°59.3°
OCCAHA37.2°60.7°
OCC29H21118.9°120.0°
OCC29C27163.4°54.4°
OCC29C2833.8°65.6°
OCC29H2979.1°174.4°
HO6OCCA180.0°60.0°
HO6OCC2955.3°60.0°
HO6OCH2160.8°180.0°
O7C27C29C179.0°175.0°
O7C27C29H27120.7°120.0°
O7C27C29H27A120.7°120.0°
O7C27H27H27A117.7°120.0°
O7C27C29C2847.7°65.0°
O7C27C29H2961.7°55.0°
HO7O7C27C29180.0°180.0°
HO7O7C27H2759.3°60.0°
HO7O7C27H27A59.3°60.0°
CCAC26HA116.5°120.0°
CACC29H21138.2°120.0°
CCAC26C23121.2°174.6°
CCAC26H26117.7°65.4°
CCAC26H26A0.0°54.6°
CACC29C2760.5°65.7°
CACC29C2869.1°174.4°
CACC29H29178.0°54.4°
CCANH260.0°179.1°
C26CACC29104.6°179.3°
C26CACH2133.1°60.7°
CAC26C23H26121.2°120.1°
CAC26C23H26A121.2°120.0°
CAC26C23C25160.6°64.9°
CAC26C23C2440.5°175.1°
CAC26C23H2381.8°55.0°
CAC26H26H26A116.4°120.0°
C26CANH2171.0°60.9°
HACACC29138.6°59.3°
HACACH2183.7°179.3°
HACAC26C234.7°54.5°
HACAC26H26125.8°174.6°
HACAC26H26A116.5°65.4°
HACANH258.7°59.1°
CC29C27C28133.3°119.9°
CC29C27H29117.4°120.0°
CC29C27H2760.2°65.0°
CC29C27H27A58.3°55.0°
CC29C28H29112.4°120.0°
CC29C28H28180.0°64.5°
CC29C28H28A60.0°175.6°
CC29C28H28B60.0°55.5°
H21CC29C2777.7°174.3°
H21CC29C28152.7°54.4°
H21CC29H2939.8°65.6°
C26C23C25C24126.9°120.0°
C26C23C25H23117.0°119.9°
C26C23C24H23122.1°120.0°
C26C23C24H24180.0°175.1°
C26C23C24H24A60.0°55.2°
C26C23C24H24B60.0°64.8°
C26C23C25H25180.0°60.1°
C26C23C25H25A60.0°60.0°
C26C23C25H25B60.0°180.0°
C23C26H26H26A116.3°120.0°
C25C23C24H23116.4°120.1°
C25C23C24H2458.5°64.9°
C25C23C24H24A178.5°175.2°
C25C23C24H24B61.5°55.2°
C23C25H25H25A120.0°120.1°
C23C25H25H25B120.0°120.0°
C23C25H25AH25B120.0°120.0°
C25C23C26H2639.4°175.0°
C25C23C26H26A78.2°55.0°
C23C24H24H24A120.0°120.0°
C23C24H24H24B120.0°120.1°
C23C24H24AH24B120.0°120.1°
C24C23C25H2553.0°59.9°
C24C23C25H25A67.0°180.0°
C24C23C25H25B173.1°60.0°
C24C23C26H2680.6°55.0°
C24C23C26H26A161.7°64.9°
H23C23C24H2457.9°55.2°
H23C23C24H24A62.1°64.8°
H23C23C24H24B177.9°175.2°
H23C23C25H2563.0°180.0°
H23C23C25H25A177.0°59.9°
H23C23C25H25B57.0°60.1°
H23C23C26H26157.0°65.0°
H23C23C26H26A39.4°175.0°
H24C24H24AH24B120.0°120.0°
H25C25H25AH25B120.0°119.9°
C29C27H27H27A117.7°120.0°
C27C29C28H29109.1°120.1°
C27C29C28H2841.4°175.5°
C27C29C28H28A78.6°55.6°
C27C29C28H28B161.4°64.4°
H27C27C29C2873.1°55.0°
H27C27C29H29177.6°175.0°
H27AC27C29C28168.4°174.9°
H27AC27C29H2959.1°65.0°
C29C28H28H28A120.0°119.9°
C29C28H28H28B120.0°120.0°
C29C28H28AH28B120.0°120.0°
H28C28H28AH28B120.0°120.1°
H28C28C29H2967.6°55.5°
H28AC28C29H29172.3°64.5°
H28BC28C29H2952.4°175.5°

246704

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