DK6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| O3 | C4 | sing | 1.43Å | 1.40Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 117.7° | 109.5° |
| C5 | C4 | O3 | 107.3° | 109.5° |
| C5 | C4 | O4 | 112.4° | 109.5° |
| C4 | C5 | H2 | 107.4° | 109.4° |
| C4 | C5 | H3 | 107.4° | 109.4° |
| C5 | C4 | H8 | 108.7° | 109.5° |
| C6 | C5 | H2 | 107.4° | 109.5° |
| C6 | C5 | H3 | 107.4° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.4° |
| C5 | C6 | H6 | 109.5° | 109.4° |
| C5 | C6 | H7 | 109.4° | 109.5° |
| O3 | C4 | O4 | 108.1° | 109.5° |
| C4 | O3 | H1 | 109.5° | 114.0° |
| O3 | C4 | H8 | 110.4° | 109.4° |
| C4 | O4 | H4 | 109.5° | 114.0° |
| O4 | C4 | H8 | 110.1° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H5 | C6 | H7 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H2 | 121.2° | 120.0° |
| C4 | C5 | C6 | H3 | 121.2° | 120.0° |
| C5 | C4 | O3 | O4 | 121.4° | 120.0° |
| C5 | C4 | O3 | H8 | 118.2° | 120.0° |
| C5 | C4 | O4 | H8 | 121.2° | 120.0° |
| C5 | C4 | O3 | H1 | 180.0° | 60.0° |
| C4 | C5 | H2 | H3 | 116.3° | 119.9° |
| C5 | C4 | O4 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 60.0° |
| C4 | C5 | C6 | H6 | 60.0° | 60.0° |
| C4 | C5 | C6 | H7 | 60.0° | 180.0° |
| C6 | C5 | C4 | O3 | 85.1° | 65.0° |
| C6 | C5 | C4 | O4 | 33.5° | 175.0° |
| C6 | C5 | H2 | H3 | 116.3° | 120.0° |
| C5 | C6 | H5 | H6 | 120.0° | 119.9° |
| C5 | C6 | H5 | H7 | 120.0° | 120.0° |
| C5 | C6 | H6 | H7 | 120.0° | 120.0° |
| C6 | C5 | C4 | H8 | 155.6° | 54.9° |
| O3 | C4 | O4 | H8 | 120.6° | 120.0° |
| O3 | C4 | C5 | H2 | 153.7° | 55.1° |
| O3 | C4 | C5 | H3 | 36.0° | 175.0° |
| O3 | C4 | O4 | H4 | 61.8° | 60.0° |
| O4 | C4 | O3 | H1 | 58.6° | 60.0° |
| O4 | C4 | C5 | H2 | 87.6° | 65.0° |
| O4 | C4 | C5 | H3 | 154.7° | 55.0° |
| H1 | O3 | C4 | H8 | 61.8° | 180.0° |
| H2 | C5 | C6 | H5 | 58.8° | 180.0° |
| H2 | C5 | C6 | H6 | 178.8° | 60.0° |
| H2 | C5 | C6 | H7 | 61.2° | 60.0° |
| H2 | C5 | C4 | H8 | 34.4° | 175.0° |
| H3 | C5 | C6 | H5 | 58.8° | 60.0° |
| H3 | C5 | C6 | H6 | 61.2° | 180.0° |
| H3 | C5 | C6 | H7 | 178.8° | 60.0° |
| H3 | C5 | C4 | H8 | 83.3° | 65.1° |
| H4 | O4 | C4 | H8 | 58.8° | 60.0° |
| H5 | C6 | H6 | H7 | 120.0° | 120.1° |
