KDG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1B | C1 | sing | 1.43Å | 1.43Å | |
| O1B | H1B | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H1C1 | sing | 1.09Å | 1.11Å | |
| C1 | H1C2 | sing | 1.09Å | 1.11Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| O2 | HA | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| O3 | HB | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C4 | H4C1 | sing | 1.09Å | 1.11Å | |
| C4 | H4C2 | sing | 1.09Å | 1.11Å | |
| O5 | C5 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.49Å | 1.53Å | |
| C6 | O6A | sing | 1.35Å | 1.25Å | |
| C6 | O6B | doub | 1.21Å | 1.24Å | |
| O6A | H6A | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1B | H1B | 107.6° | 106.9° |
| O1B | C1 | C2 | 107.7° | 109.5° |
| O1B | C1 | H1C1 | 112.9° | 109.4° |
| O1B | C1 | H1C2 | 112.9° | 109.5° |
| C2 | C1 | H1C1 | 112.9° | 109.5° |
| C2 | C1 | H1C2 | 112.9° | 109.5° |
| C1 | C2 | O2 | 107.8° | 109.5° |
| C1 | C2 | C3 | 112.8° | 109.5° |
| C1 | C2 | H2 | 108.5° | 109.5° |
| H1C1 | C1 | H1C2 | 97.6° | 109.4° |
| O2 | C2 | C3 | 110.6° | 109.5° |
| O2 | C2 | H2 | 108.5° | 109.4° |
| C2 | O2 | HA | 107.8° | 106.8° |
| C3 | C2 | H2 | 108.5° | 109.4° |
| C2 | C3 | O3 | 111.4° | 109.4° |
| C2 | C3 | C4 | 111.1° | 109.5° |
| C2 | C3 | H3 | 108.5° | 109.4° |
| O3 | C3 | C4 | 108.6° | 109.5° |
| O3 | C3 | H3 | 108.5° | 109.5° |
| C3 | O3 | HB | 111.4° | 106.8° |
| C4 | C3 | H3 | 108.5° | 109.5° |
| C3 | C4 | C5 | 115.1° | 109.5° |
| C3 | C4 | H4C1 | 110.2° | 109.5° |
| C3 | C4 | H4C2 | 110.2° | 109.5° |
| C5 | C4 | H4C1 | 110.1° | 109.4° |
| C5 | C4 | H4C2 | 110.2° | 109.4° |
| C4 | C5 | O5 | 121.0° | 119.9° |
| C4 | C5 | C6 | 119.5° | 120.1° |
| H4C1 | C4 | H4C2 | 100.1° | 109.4° |
| O5 | C5 | C6 | 119.5° | 120.0° |
| C5 | C6 | O6A | 119.7° | 120.0° |
| C5 | C6 | O6B | 117.9° | 120.0° |
| O6A | C6 | O6B | 122.3° | 120.0° |
| C6 | O6A | H6A | 119.8° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | C1 | C2 | H1C1 | 125.2° | 120.0° |
| O1B | C1 | C2 | H1C2 | 125.2° | 120.0° |
| O1B | C1 | H1C1 | H1C2 | 118.8° | 120.0° |
| O1B | C1 | C2 | O2 | 69.1° | 60.0° |
| O1B | C1 | C2 | C3 | 168.4° | 180.0° |
| O1B | C1 | C2 | H2 | 48.2° | 60.0° |
| H1B | O1B | C1 | C2 | 180.0° | 180.0° |
| H1B | O1B | C1 | H1C1 | 54.7° | 60.0° |
| H1B | O1B | C1 | H1C2 | 54.8° | 60.0° |
| C2 | C1 | H1C1 | H1C2 | 118.8° | 120.0° |
| C1 | C2 | O2 | C3 | 123.8° | 120.0° |
| C1 | C2 | O2 | H2 | 117.3° | 120.0° |
| C1 | C2 | C3 | H2 | 120.2° | 120.0° |
| C1 | C2 | O2 | HA | 180.0° | 60.0° |
| C1 | C2 | C3 | O3 | 54.1° | 60.0° |
| C1 | C2 | C3 | C4 | 175.5° | 180.0° |
| C1 | C2 | C3 | H3 | 65.3° | 60.0° |
| H1C1 | C1 | C2 | O2 | 56.1° | 60.0° |
| H1C1 | C1 | C2 | C3 | 66.3° | 60.0° |
| H1C1 | C1 | C2 | H2 | 173.5° | 180.0° |
| H1C2 | C1 | C2 | O2 | 165.7° | 180.0° |
| H1C2 | C1 | C2 | C3 | 43.2° | 60.0° |
| H1C2 | C1 | C2 | H2 | 77.0° | 60.0° |
| O2 | C2 | C3 | H2 | 118.9° | 119.9° |
| O2 | C2 | C3 | O3 | 175.0° | 180.0° |
| O2 | C2 | C3 | C4 | 63.7° | 59.9° |
| O2 | C2 | C3 | H3 | 55.6° | 60.1° |
| C3 | C2 | O2 | HA | 56.3° | 60.0° |
| C2 | C3 | O3 | C4 | 122.7° | 120.0° |
| C2 | C3 | O3 | H3 | 119.4° | 119.9° |
| C2 | C3 | C4 | H3 | 119.2° | 120.0° |
| C2 | C3 | O3 | HB | 180.0° | 60.0° |
| C2 | C3 | C4 | C5 | 22.8° | 180.0° |
| C2 | C3 | C4 | H4C1 | 148.0° | 60.0° |
| C2 | C3 | C4 | H4C2 | 102.5° | 60.0° |
| H2 | C2 | O2 | HA | 62.6° | 180.0° |
| H2 | C2 | C3 | O3 | 66.1° | 60.0° |
| H2 | C2 | C3 | C4 | 55.2° | 60.0° |
| H2 | C2 | C3 | H3 | 174.5° | 180.0° |
| O3 | C3 | C4 | H3 | 117.8° | 120.0° |
| O3 | C3 | C4 | C5 | 100.1° | 60.0° |
| O3 | C3 | C4 | H4C1 | 25.1° | 60.0° |
| O3 | C3 | C4 | H4C2 | 134.6° | 180.0° |
| C4 | C3 | O3 | HB | 57.2° | 60.0° |
| C3 | C4 | C5 | H4C1 | 125.2° | 120.0° |
| C3 | C4 | C5 | H4C2 | 125.3° | 120.1° |
| C3 | C4 | H4C1 | H4C2 | 116.0° | 120.1° |
| C3 | C4 | C5 | O5 | 59.1° | 0.0° |
| C3 | C4 | C5 | C6 | 120.0° | 180.0° |
| H3 | C3 | O3 | HB | 60.6° | 180.0° |
| H3 | C3 | C4 | C5 | 142.0° | 60.1° |
| H3 | C3 | C4 | H4C1 | 92.7° | 180.0° |
| H3 | C3 | C4 | H4C2 | 16.8° | 60.0° |
| C5 | C4 | H4C1 | H4C2 | 116.0° | 119.9° |
| C4 | C5 | O5 | C6 | 179.1° | 180.0° |
| C4 | C5 | C6 | O6A | 40.5° | 180.0° |
| C4 | C5 | C6 | O6B | 139.6° | 0.0° |
| H4C1 | C4 | C5 | O5 | 66.1° | 120.0° |
| H4C1 | C4 | C5 | C6 | 114.8° | 60.0° |
| H4C2 | C4 | C5 | O5 | 175.6° | 120.1° |
| H4C2 | C4 | C5 | C6 | 5.3° | 59.9° |
| O5 | C5 | C6 | O6A | 138.6° | 0.0° |
| O5 | C5 | C6 | O6B | 41.4° | 180.0° |
| C5 | C6 | O6A | O6B | 180.0° | 180.0° |
| C5 | C6 | O6A | H6A | 179.9° | 180.0° |
| O6B | C6 | O6A | H6A | 0.0° | 0.0° |
