GOL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.29Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | O2 | sing | 1.43Å | 1.38Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | O3 | sing | 1.43Å | 1.45Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 107.4° | 109.5° |
O1 | C1 | H11 | 110.2° | 109.5° |
O1 | C1 | H12 | 110.2° | 109.4° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C2 | C1 | H11 | 110.2° | 109.5° |
C2 | C1 | H12 | 110.2° | 109.5° |
C1 | C2 | O2 | 93.2° | 109.5° |
C1 | C2 | C3 | 122.1° | 109.5° |
C1 | C2 | H2 | 119.3° | 109.5° |
H11 | C1 | H12 | 108.7° | 109.4° |
O2 | C2 | C3 | 123.8° | 109.5° |
O2 | C2 | H2 | 117.3° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C3 | C2 | H2 | 84.1° | 109.5° |
C2 | C3 | O3 | 105.8° | 109.5° |
C2 | C3 | H31 | 110.7° | 109.5° |
C2 | C3 | H32 | 110.7° | 109.5° |
O3 | C3 | H31 | 110.7° | 109.5° |
O3 | C3 | H32 | 110.7° | 109.4° |
C3 | O3 | HO3 | 109.5° | 114.0° |
H31 | C3 | H32 | 108.2° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | H11 | 120.0° | 120.0° |
O1 | C1 | C2 | H12 | 120.0° | 120.0° |
O1 | C1 | H11 | H12 | 120.9° | 120.0° |
O1 | C1 | C2 | O2 | 94.6° | 65.0° |
O1 | C1 | C2 | C3 | 131.6° | 175.0° |
O1 | C1 | C2 | H2 | 29.4° | 55.0° |
C2 | C1 | H11 | H12 | 120.9° | 120.0° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | O2 | C3 | 132.7° | 120.0° |
C1 | C2 | O2 | H2 | 125.5° | 120.0° |
C1 | C2 | C3 | H2 | 121.0° | 120.0° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | O3 | 124.6° | 175.0° |
C1 | C2 | C3 | H31 | 4.5° | 65.0° |
C1 | C2 | C3 | H32 | 115.5° | 55.0° |
H11 | C1 | O1 | HO1 | 60.0° | 60.0° |
H11 | C1 | C2 | O2 | 25.5° | 55.0° |
H11 | C1 | C2 | C3 | 108.4° | 65.0° |
H11 | C1 | C2 | H2 | 149.4° | 175.0° |
H12 | C1 | O1 | HO1 | 60.0° | 60.0° |
H12 | C1 | C2 | O2 | 145.4° | 175.0° |
H12 | C1 | C2 | C3 | 11.6° | 55.0° |
H12 | C1 | C2 | H2 | 90.6° | 65.0° |
O2 | C2 | C3 | H2 | 119.1° | 120.0° |
O2 | C2 | C3 | O3 | 4.6° | 65.0° |
O2 | C2 | C3 | H31 | 115.4° | 55.0° |
O2 | C2 | C3 | H32 | 124.6° | 175.0° |
C3 | C2 | O2 | HO2 | 47.3° | 60.0° |
C2 | C3 | O3 | H31 | 120.0° | 120.0° |
C2 | C3 | O3 | H32 | 120.0° | 120.0° |
C2 | C3 | H31 | H32 | 121.5° | 120.0° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
H2 | C2 | O2 | HO2 | 54.6° | 180.0° |
H2 | C2 | C3 | O3 | 114.5° | 55.0° |
H2 | C2 | C3 | H31 | 125.5° | 175.0° |
H2 | C2 | C3 | H32 | 5.5° | 65.0° |
O3 | C3 | H31 | H32 | 121.5° | 120.0° |
H31 | C3 | O3 | HO3 | 60.0° | 60.0° |
H32 | C3 | O3 | HO3 | 60.0° | 60.0° |