DHD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.49Å | 1.46Å | |
| C1 | O11 | doub | 1.21Å | 1.22Å | |
| C1 | O12 | sing | 1.35Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | O2 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.49Å | 1.46Å | |
| C4 | O4 | doub | 1.21Å | 1.22Å | |
| C5 | O51 | sing | 1.35Å | 1.22Å | |
| C5 | O52 | doub | 1.21Å | 1.50Å | |
| O12 | HO1 | sing | 0.97Å | 0.95Å | |
| O51 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O11 | 120.0° | 119.9° |
| C2 | C1 | O12 | 120.0° | 120.1° |
| C1 | C2 | C3 | 120.0° | 120.1° |
| C1 | C2 | O2 | 120.0° | 119.9° |
| O11 | C1 | O12 | 120.0° | 120.0° |
| C1 | O12 | HO1 | 120.1° | 120.0° |
| C3 | C2 | O2 | 120.0° | 120.0° |
| C2 | C3 | C4 | 109.5° | 109.5° |
| C2 | C3 | H31 | 112.2° | 109.5° |
| C2 | C3 | H32 | 112.2° | 109.5° |
| C4 | C3 | H31 | 112.2° | 109.5° |
| C4 | C3 | H32 | 112.2° | 109.5° |
| C3 | C4 | C5 | 120.0° | 120.1° |
| C3 | C4 | O4 | 120.0° | 120.0° |
| H31 | C3 | H32 | 98.2° | 109.5° |
| C5 | C4 | O4 | 120.1° | 119.9° |
| C4 | C5 | O51 | 119.9° | 120.1° |
| C4 | C5 | O52 | 120.0° | 119.9° |
| O51 | C5 | O52 | 120.1° | 120.0° |
| C5 | O51 | HO5 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O11 | O12 | 180.0° | 180.0° |
| C1 | C2 | C3 | O2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C1 | C2 | C3 | H31 | 54.7° | 60.0° |
| C1 | C2 | C3 | H32 | 54.7° | 60.0° |
| C2 | C1 | O12 | HO1 | 180.0° | 180.0° |
| O11 | C1 | C2 | C3 | 180.0° | 0.0° |
| O11 | C1 | C2 | O2 | 0.0° | 180.0° |
| O11 | C1 | O12 | HO1 | 0.0° | 0.0° |
| O12 | C1 | C2 | C3 | 0.0° | 180.0° |
| O12 | C1 | C2 | O2 | 180.0° | 0.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 118.1° | 120.0° |
| C2 | C3 | C4 | C5 | 180.0° | 180.0° |
| C2 | C3 | C4 | O4 | 0.0° | 0.0° |
| O2 | C2 | C3 | C4 | 0.0° | 0.0° |
| O2 | C2 | C3 | H31 | 125.3° | 120.0° |
| O2 | C2 | C3 | H32 | 125.2° | 120.0° |
| C4 | C3 | H31 | H32 | 118.1° | 120.0° |
| C3 | C4 | C5 | O4 | 180.0° | 180.0° |
| C3 | C4 | C5 | O51 | 180.0° | 180.0° |
| C3 | C4 | C5 | O52 | 0.1° | 0.0° |
| H31 | C3 | C4 | C5 | 54.7° | 60.0° |
| H31 | C3 | C4 | O4 | 125.3° | 120.0° |
| H32 | C3 | C4 | C5 | 54.7° | 60.0° |
| H32 | C3 | C4 | O4 | 125.3° | 120.0° |
| C4 | C5 | O51 | O52 | 180.0° | 180.0° |
| C4 | C5 | O51 | HO5 | 180.0° | 180.0° |
| O4 | C4 | C5 | O51 | 0.0° | 0.0° |
| O4 | C4 | C5 | O52 | 180.0° | 180.0° |
| O52 | C5 | O51 | HO5 | 0.0° | 0.0° |
