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TRS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.54Å
CC2sing1.53Å1.54Å
CC3sing1.53Å1.55Å
CNsing1.47Å1.47Å
C1O1sing1.43Å1.40Å
C1H11sing1.09Å1.11Å
C1H12sing1.09Å1.11Å
C2O2sing1.43Å1.41Å
C2H21sing1.09Å1.12Å
C2H22sing1.09Å1.12Å
C3O3sing1.43Å1.44Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.12Å
NHN1sing1.01Å1.02Å
NHN2sing1.01Å1.02Å
NHN3sing1.01Å1.02Å
O1HO1sing0.97Å0.95Å
O2HO2sing0.97Å0.95Å
O3HO3sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1CC2107.3°109.4°
C1CC3114.3°109.5°
C1CN101.8°109.5°
CC1O1110.2°109.5°
CC1H11112.0°109.5°
CC1H12112.0°109.5°
C2CC3107.1°109.4°
C2CN117.1°109.5°
CC2O2114.9°109.5°
CC2H21110.2°109.5°
CC2H22110.3°109.5°
C3CN109.4°109.5°
CC3O3116.4°109.4°
CC3H31109.7°109.5°
CC3H32109.7°109.5°
CNHN1101.8°109.5°
CNHN2115.1°109.5°
CNHN3115.1°109.5°
O1C1H11111.9°109.5°
O1C1H12111.9°109.5°
C1O1HO1110.2°106.8°
H11C1H1298.5°109.4°
O2C2H21110.2°109.5°
O2C2H22110.2°109.5°
C2O2HO2114.9°106.8°
H21C2H22100.0°109.4°
O3C3H31109.7°109.5°
O3C3H32109.7°109.4°
C3O3HO3116.3°106.8°
H31C3H32100.4°109.5°
HN1NHN2115.1°109.5°
HN1NHN3115.2°109.4°
HN2NHN395.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1CC2C3123.2°120.0°
C1CC2N113.6°120.0°
C1CC3N113.4°120.0°
CC1O1H11125.3°120.0°
CC1O1H12125.3°120.0°
CC1H11H12117.9°120.0°
C1CC2O214.5°65.0°
C1CC2H21139.8°175.0°
C1CC2H22110.8°55.0°
C1CC3O3116.6°60.1°
C1CC3H318.7°59.9°
C1CC3H32118.1°180.0°
C1CNHN1180.0°60.0°
C1CNHN254.8°60.0°
C1CNHN354.7°180.0°
CC1O1HO1180.0°180.0°
C2CC3N127.9°120.0°
C2CC1O137.6°60.0°
C2CC1H11162.9°180.0°
C2CC1H1287.6°60.0°
CC2O2H21125.3°120.0°
CC2O2H22125.3°120.0°
CC2H21H22116.1°120.0°
C2CC3O3124.6°180.0°
C2CC3H31110.0°60.0°
C2CC3H320.6°60.0°
C2CNHN163.4°180.0°
C2CNHN261.9°60.0°
C2CNHN3171.4°60.1°
CC2O2HO2179.9°180.0°
C3CC1O181.0°60.0°
C3CC1H1144.2°60.0°
C3CC1H12153.8°180.0°
C3CC2O2137.7°175.0°
C3CC2H2197.0°55.0°
C3CC2H2212.4°64.9°
CC3O3H31125.3°120.0°
CC3O3H32125.3°120.0°
CC3H31H32115.5°120.1°
C3CNHN158.7°60.0°
C3CNHN2176.1°180.0°
C3CNHN366.6°59.9°
CC3O3HO3180.0°180.0°
NCC1O1161.2°180.0°
NCC1H1173.6°60.0°
NCC1H1236.0°60.0°
NCC2O299.1°55.0°
NCC2H2126.2°65.0°
NCC2H22135.6°175.0°
NCC3O33.2°60.0°
NCC3H31122.1°180.0°
NCC3H32128.5°60.0°
CNHN1HN2125.2°120.0°
CNHN1HN3125.2°120.0°
CNHN2HN3121.0°120.0°
O1C1H11H12117.8°120.0°
H11C1O1HO154.7°60.0°
H12C1O1HO154.7°60.0°
O2C2H21H22116.1°120.0°
H21C2O2HO254.8°60.0°
H22C2O2HO254.6°60.0°
O3C3H31H32115.5°120.0°
H31C3O3HO354.7°60.0°
H32C3O3HO354.7°60.0°
HN1NHN2HN3121.1°120.0°

235458

PDB entries from 2025-04-30

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