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ETN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCsing1.47Å1.17Å
NC1sing1.47Å1.46Å
NHNsing1.01Å1.02Å
CH1sing1.09Å1.12Å
CH2sing1.09Å1.12Å
CH3sing1.09Å1.11Å
C1C2sing1.53Å1.53Å
C1H11sing1.09Å1.11Å
C1H12sing1.09Å1.11Å
C2H21sing1.09Å1.11Å
C2H22sing1.09Å1.12Å
C2H23sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CNC1125.3°106.7°
CNHN106.6°106.7°
NCH1125.4°109.5°
NCH2106.6°109.5°
NCH3106.7°109.5°
C1NHN106.6°106.8°
NC1C2109.1°109.5°
NC1H11112.3°109.5°
NC1H12112.4°109.4°
H1CH2106.5°109.4°
H1CH3106.6°109.5°
H2CH3102.9°109.4°
C2C1H11112.3°109.5°
C2C1H12112.3°109.4°
C1C2H21109.1°109.5°
C1C2H22112.4°109.4°
C1C2H23112.4°109.5°
H11C1H1298.1°109.4°
H21C2H22112.3°109.4°
H21C2H23112.3°109.5°
H22C2H2398.0°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CNC1HN125.2°113.9°
NCH1H2125.2°120.0°
NCH1H3125.3°120.1°
NCH2H3112.1°120.0°
CNC1C265.8°180.0°
CNC1H11169.0°59.9°
CNC1H1259.5°60.0°
C1NCH1180.0°179.9°
C1NCH254.8°59.9°
C1NCH354.7°60.0°
NC1C2H11125.2°120.1°
NC1C2H12125.3°119.9°
NC1H11H12118.3°119.9°
NC1C2H21180.0°180.0°
NC1C2H2254.7°60.1°
NC1C2H2354.7°59.9°
HNNCH154.8°66.2°
HNNCH2180.0°173.8°
HNNCH370.6°53.9°
HNNC1C2169.0°66.1°
HNNC1H1143.8°173.8°
HNNC1H1265.7°53.8°
H1CH2H3112.0°120.0°
C2C1H11H12118.3°120.0°
C1C2H21H22125.3°119.9°
C1C2H21H23125.3°120.1°
C1C2H22H23118.3°120.0°
H11C1C2H2154.8°59.9°
H11C1C2H22180.0°60.0°
H11C1C2H2370.5°NaN°
H12C1C2H2154.7°60.1°
H12C1C2H2270.5°180.0°
H12C1C2H23180.0°60.0°
H21C2H22H23118.2°120.0°

222926

PDB entries from 2024-07-24

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