HKV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C5 | sing | 1.36Å | 1.23Å | |
| O4 | H4 | sing | 0.98Å | 0.95Å | |
| C5 | O3 | doub | 1.22Å | 1.22Å | |
| C5 | C4 | sing | 1.51Å | 1.36Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | C3 | sing | 1.52Å | 1.52Å | |
| C4 | HA | sing | 1.10Å | 1.10Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C3 | H3C1 | sing | 1.10Å | 1.12Å | |
| C3 | H3C2 | sing | 1.10Å | 1.11Å | |
| C2 | O5 | doub | 1.22Å | 1.25Å | |
| C2 | C1 | sing | 1.50Å | 1.37Å | |
| C1 | O2 | doub | 1.22Å | 1.24Å | |
| C1 | H1 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | O4 | H4 | 118.2° | 115.1° |
| O4 | C5 | O3 | 118.2° | 123.4° |
| O4 | C5 | C4 | 120.8° | 112.5° |
| O3 | C5 | C4 | 121.1° | 124.0° |
| C5 | C4 | H41 | 148.4° | 107.9° |
| C5 | C4 | C3 | 120.5° | 110.9° |
| C5 | C4 | HA | 114.2° | 109.4° |
| H41 | C4 | C3 | 27.9° | 110.8° |
| H41 | C4 | HA | 97.4° | 105.9° |
| C3 | C4 | HA | 125.3° | 111.8° |
| C4 | C3 | C2 | 113.7° | 112.0° |
| C4 | C3 | H3C1 | 110.7° | 109.9° |
| C4 | C3 | H3C2 | 110.7° | 110.2° |
| C2 | C3 | H3C1 | 110.7° | 108.3° |
| C2 | C3 | H3C2 | 110.7° | 108.2° |
| C3 | C2 | O5 | 121.4° | 126.0° |
| C3 | C2 | C1 | 116.0° | 115.8° |
| H3C1 | C3 | H3C2 | 99.6° | 108.2° |
| O5 | C2 | C1 | 122.6° | 118.2° |
| C2 | C1 | O2 | 123.6° | 120.1° |
| C2 | C1 | H1 | 123.8° | 115.4° |
| O2 | C1 | H1 | 112.6° | 124.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C5 | O3 | C4 | 179.7° | 179.3° |
| O4 | C5 | C4 | H41 | 125.8° | 55.5° |
| O4 | C5 | C4 | C3 | 126.5° | 177.0° |
| O4 | C5 | C4 | HA | 53.5° | 59.3° |
| H4 | O4 | C5 | O3 | 180.0° | 0.1° |
| H4 | O4 | C5 | C4 | 0.3° | 179.2° |
| O3 | C5 | C4 | H41 | 54.5° | 125.2° |
| O3 | C5 | C4 | C3 | 53.8° | 3.7° |
| O3 | C5 | C4 | HA | 126.2° | 120.0° |
| C5 | C4 | H41 | C3 | 1.3° | 121.6° |
| C5 | C4 | H41 | HA | 179.4° | 117.1° |
| C5 | C4 | C3 | HA | 180.0° | 122.3° |
| C5 | C4 | C3 | C2 | 176.5° | 177.7° |
| C5 | C4 | C3 | H3C1 | 58.3° | 57.3° |
| C5 | C4 | C3 | H3C2 | 51.2° | 61.8° |
| H41 | C4 | C3 | HA | 0.8° | 117.9° |
| H41 | C4 | C3 | C2 | 4.3° | 57.9° |
| H41 | C4 | C3 | H3C1 | 120.9° | 62.5° |
| H41 | C4 | C3 | H3C2 | 129.6° | 178.4° |
| C4 | C3 | C2 | H3C1 | 125.3° | 121.3° |
| C4 | C3 | C2 | H3C2 | 125.2° | 121.6° |
| C4 | C3 | H3C1 | H3C2 | 116.5° | 120.3° |
| C4 | C3 | C2 | O5 | 17.1° | 1.1° |
| C4 | C3 | C2 | C1 | 164.0° | 178.6° |
| HA | C4 | C3 | C2 | 3.5° | 60.0° |
| HA | C4 | C3 | H3C1 | 121.8° | 179.6° |
| HA | C4 | C3 | H3C2 | 128.8° | 60.5° |
| C2 | C3 | H3C1 | H3C2 | 116.5° | 117.1° |
| C3 | C2 | O5 | C1 | 178.8° | 179.7° |
| C3 | C2 | C1 | O2 | 176.3° | 179.8° |
| C3 | C2 | C1 | H1 | 3.7° | 0.1° |
| H3C1 | C3 | C2 | O5 | 142.4° | 120.3° |
| H3C1 | C3 | C2 | C1 | 38.8° | 60.0° |
| H3C2 | C3 | C2 | O5 | 108.1° | 122.7° |
| H3C2 | C3 | C2 | C1 | 70.7° | 57.0° |
| O5 | C2 | C1 | O2 | 2.5° | 0.0° |
| O5 | C2 | C1 | H1 | 177.5° | 179.9° |
| C2 | C1 | O2 | H1 | 180.0° | 179.9° |
