LER
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.21Å | 1.23Å | |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C3 | 119.5° | 120.0° |
| O2 | C2 | C1 | 120.2° | 120.0° |
| O3 | C3 | C2 | 109.3° | 109.5° |
| O3 | C3 | C4 | 109.6° | 109.4° |
| O3 | C3 | H3 | 110.2° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O1 | C1 | C2 | 109.7° | 109.4° |
| O1 | C1 | H11 | 109.4° | 109.5° |
| O1 | C1 | H12 | 109.4° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 113.9° |
| C3 | C2 | C1 | 119.8° | 120.0° |
| C2 | C3 | C4 | 110.3° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C2 | C1 | H11 | 109.4° | 109.5° |
| C2 | C1 | H12 | 109.4° | 109.5° |
| C3 | C4 | O4 | 110.0° | 109.5° |
| C4 | C3 | H3 | 108.6° | 109.4° |
| C3 | C4 | H41 | 109.4° | 109.4° |
| C3 | C4 | H42 | 109.3° | 109.5° |
| O4 | C4 | H41 | 109.3° | 109.5° |
| O4 | C4 | H42 | 109.4° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C3 | O3 | 12.7° | 15.0° |
| O2 | C2 | C1 | O1 | 3.3° | 0.0° |
| O2 | C2 | C3 | C1 | 172.1° | 180.0° |
| O2 | C2 | C3 | C4 | 133.3° | 105.0° |
| O2 | C2 | C1 | H11 | 123.3° | 120.0° |
| O2 | C2 | C1 | H12 | 116.8° | 120.0° |
| O2 | C2 | C3 | H3 | 107.7° | 135.0° |
| O3 | C3 | C2 | C4 | 120.6° | 120.0° |
| O3 | C3 | C2 | H3 | 120.4° | 120.0° |
| O3 | C3 | C2 | C1 | 175.2° | 165.0° |
| O3 | C3 | C4 | H3 | 120.5° | 119.9° |
| O3 | C3 | C4 | O4 | 56.6° | 64.9° |
| O3 | C3 | C4 | H41 | 63.5° | 55.0° |
| O3 | C3 | C4 | H42 | 176.6° | 175.0° |
| O1 | C1 | C2 | C3 | 175.4° | 180.0° |
| O1 | C1 | C2 | H11 | 120.0° | 120.0° |
| O1 | C1 | C2 | H12 | 120.0° | 120.0° |
| O1 | C1 | H11 | H12 | 119.9° | 120.0° |
| C2 | C3 | C4 | H3 | 119.1° | 120.0° |
| C2 | C3 | C4 | O4 | 177.0° | 175.0° |
| C3 | C2 | C1 | H11 | 64.6° | 60.0° |
| C3 | C2 | C1 | H12 | 55.3° | 60.0° |
| C2 | C3 | O3 | HO3 | 5.7° | 60.0° |
| C2 | C3 | C4 | H41 | 56.9° | 65.0° |
| C2 | C3 | C4 | H42 | 63.0° | 55.0° |
| C1 | C2 | C3 | C4 | 54.6° | 75.0° |
| C2 | C1 | H11 | H12 | 119.9° | 120.0° |
| C2 | C1 | O1 | HO1 | 1.5° | 180.0° |
| C1 | C2 | C3 | H3 | 64.4° | 45.0° |
| C3 | C4 | O4 | H41 | 120.1° | 120.0° |
| C3 | C4 | O4 | H42 | 120.1° | 120.0° |
| C4 | C3 | O3 | HO3 | 126.7° | 60.1° |
| C3 | C4 | H41 | H42 | 119.8° | 120.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| O4 | C4 | C3 | H3 | 63.9° | 55.0° |
| O4 | C4 | H41 | H42 | 119.8° | 120.0° |
| H11 | C1 | O1 | HO1 | 121.5° | 60.0° |
| H12 | C1 | O1 | HO1 | 118.6° | 60.0° |
| H3 | C3 | O3 | HO3 | 113.8° | 180.0° |
| H3 | C3 | C4 | H41 | 176.0° | 175.0° |
| H3 | C3 | C4 | H42 | 56.2° | 65.1° |
| H41 | C4 | O4 | HO4 | 59.9° | 60.1° |
| H42 | C4 | O4 | HO4 | 59.9° | 59.9° |
