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ASJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
COsing1.43Å1.43Å
CCAsing1.53Å1.52Å
CH3sing1.09Å1.10Å
CHAAsing1.09Å1.10Å
CANsing1.47Å1.47Å
NHsing1.01Å1.00Å
NH2sing1.01Å1.00Å
OHOsing0.97Å0.95Å
CBCAsing1.53Å1.52Å
CAHAsing1.09Å1.10Å
CBCGsing1.51Å1.49Å
CBHBsing1.09Å1.10Å
CBHBAsing1.09Å1.10Å
CGOD2doub1.21Å1.24Å
CGOD1sing1.34Å1.25Å
OD1HOD1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCCA109.4°109.5°
OCH3109.5°109.5°
OCHAA109.5°109.4°
COHO109.5°114.0°
CACH3109.5°109.5°
CACHAA109.5°109.5°
CCAN112.1°109.5°
CCACB107.4°109.5°
CCAHA109.5°109.5°
H3CHAA109.5°109.4°
CANH109.5°111.0°
CANH2109.4°111.0°
NCACB110.6°109.5°
NCAHA106.3°109.5°
HNH2109.5°111.0°
CBCAHA111.1°109.4°
CACBCG112.8°109.5°
CACBHB108.4°109.5°
CACBHBA108.3°109.5°
CGCBHB108.4°109.5°
CGCBHBA108.4°109.4°
CBCGOD2117.4°120.0°
CBCGOD1118.9°120.0°
HBCBHBA110.6°109.5°
OD2CGOD1123.7°120.0°
CGOD1HOD1109.5°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCCAH3120.0°120.0°
OCCAHAA120.0°120.0°
OCH3HAA120.1°119.9°
OCCAN102.9°65.0°
OCCACB135.5°175.0°
OCCAHA14.8°55.0°
CACH3HAA120.0°120.0°
CCANCB119.8°120.0°
CCANHA119.6°120.0°
CCANH180.0°60.0°
CCANH260.0°176.0°
CACOHO180.0°179.9°
CCACBHA119.7°120.0°
CCACBCG144.4°174.9°
CCACBHB95.6°65.0°
CCACBHBA24.4°55.0°
H3CCAN17.1°55.0°
H3COHO60.0°59.9°
H3CCACB104.5°65.0°
H3CCAHA134.8°175.1°
HAACCAN137.1°175.0°
HAACOHO60.1°60.0°
HAACCACB15.5°55.0°
HAACCAHA105.2°65.0°
CANHH2120.0°123.9°
NCACBHA117.7°120.0°
NCACBCG93.0°65.0°
NCACBHB27.0°55.0°
NCACBHBA147.0°175.1°
HNCACB60.2°60.0°
HNCAHA60.4°180.0°
H2NCACB179.8°63.9°
H2NCAHA59.6°56.0°
CACBCGHB120.0°120.1°
CACBCGHBA120.0°120.0°
CACBHBHBA118.6°120.0°
CACBCGOD2159.1°0.1°
CACBCGOD122.2°180.0°
HACACBCG24.7°54.9°
HACACBHB144.7°175.0°
HACACBHBA95.3°65.0°
CGCBHBHBA118.6°119.9°
CBCGOD2OD1178.6°179.9°
CBCGOD1HOD1178.6°179.9°
HBCBCGOD239.1°120.0°
HBCBCGOD1142.2°59.9°
HBACBCGOD280.9°120.1°
HBACBCGOD197.8°60.1°
OD2CGOD1HOD10.0°0.0°

221051

PDB entries from 2024-06-12

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