DE2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| O2 | C2 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| O5 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | O2 | 118.5° | 120.0° |
| C1 | C2 | C3 | 117.5° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| O2 | C2 | C3 | 122.0° | 120.0° |
| C2 | C3 | O3 | 111.5° | 109.4° |
| C2 | C3 | C4 | 113.9° | 109.5° |
| C2 | C3 | H4 | 106.4° | 109.5° |
| O3 | C3 | C4 | 111.0° | 109.5° |
| O3 | C3 | H4 | 107.4° | 109.5° |
| C3 | O3 | H5 | 109.5° | 114.0° |
| C3 | C4 | O5 | 113.1° | 109.5° |
| C4 | C3 | H4 | 106.2° | 109.5° |
| C3 | C4 | H6 | 108.6° | 109.5° |
| C3 | C4 | H7 | 108.6° | 109.5° |
| O5 | C4 | H6 | 108.5° | 109.5° |
| O5 | C4 | H7 | 108.6° | 109.4° |
| C4 | O5 | H8 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | O2 | C3 | 163.3° | 179.8° |
| C1 | C2 | C3 | O3 | 109.4° | 164.8° |
| C1 | C2 | C3 | C4 | 124.0° | 75.3° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 7.3° | 44.7° |
| O2 | C2 | C3 | O3 | 54.1° | 15.0° |
| O2 | C2 | C3 | C4 | 72.5° | 105.0° |
| O2 | C2 | C1 | H1 | 0.0° | 0.0° |
| O2 | C2 | C1 | H2 | 120.0° | 120.1° |
| O2 | C2 | C1 | H3 | 120.0° | 120.0° |
| O2 | C2 | C3 | H4 | 170.8° | 135.0° |
| C2 | C3 | O3 | C4 | 128.1° | 120.0° |
| C2 | C3 | O3 | H4 | 116.2° | 120.0° |
| C2 | C3 | C4 | H4 | 116.8° | 120.0° |
| C2 | C3 | C4 | O5 | 75.1° | 175.0° |
| C3 | C2 | C1 | H1 | 164.1° | 179.7° |
| C3 | C2 | C1 | H2 | 44.1° | 59.7° |
| C3 | C2 | C1 | H3 | 75.9° | 60.2° |
| C2 | C3 | O3 | H5 | 20.5° | 59.9° |
| C2 | C3 | C4 | H6 | 45.4° | 65.0° |
| C2 | C3 | C4 | H7 | 164.3° | 55.0° |
| O3 | C3 | C4 | H4 | 116.4° | 120.1° |
| O3 | C3 | C4 | O5 | 51.7° | 65.0° |
| O3 | C3 | C4 | H6 | 172.2° | 54.9° |
| O3 | C3 | C4 | H7 | 68.9° | 175.0° |
| C3 | C4 | O5 | H6 | 120.6° | 120.0° |
| C3 | C4 | O5 | H7 | 120.5° | 120.0° |
| C4 | C3 | O3 | H5 | 107.6° | 60.0° |
| C3 | C4 | H6 | H7 | 118.3° | 120.0° |
| C3 | C4 | O5 | H8 | 180.0° | 180.0° |
| O5 | C4 | C3 | H4 | 168.1° | 55.0° |
| O5 | C4 | H6 | H7 | 118.3° | 119.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H4 | C3 | O3 | H5 | 136.7° | 179.9° |
| H4 | C3 | C4 | H6 | 71.3° | 175.0° |
| H4 | C3 | C4 | H7 | 47.6° | 65.0° |
| H6 | C4 | O5 | H8 | 59.4° | 59.9° |
| H7 | C4 | O5 | H8 | 59.5° | 60.0° |
