KBG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.54Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.43Å | 1.35Å | |
| C3 | C2 | sing | 1.52Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | OAG | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C1 | O5 | sing | 1.43Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O5 | C5 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | O4 | HO4 | 109.5° | 106.8° |
| O4 | C4 | C3 | 106.7° | 109.6° |
| O4 | C4 | C5 | 111.8° | 109.6° |
| O4 | C4 | H4 | 110.5° | 109.6° |
| C3 | C4 | C5 | 111.5° | 108.7° |
| C3 | C4 | H4 | 110.8° | 109.6° |
| C4 | C3 | O3 | 105.6° | 109.9° |
| C4 | C3 | C2 | 112.7° | 107.3° |
| C4 | C3 | H3 | 109.6° | 110.0° |
| C5 | C4 | H4 | 105.6° | 109.8° |
| C4 | C5 | O5 | 105.4° | 110.0° |
| C4 | C5 | C6 | 105.9° | 109.4° |
| C4 | C5 | H5 | 115.6° | 109.4° |
| O3 | C3 | C2 | 108.4° | 109.8° |
| O3 | C3 | H3 | 113.8° | 109.9° |
| C3 | O3 | HO3 | 109.5° | 106.8° |
| C2 | C3 | H3 | 106.9° | 109.9° |
| C3 | C2 | OAG | 118.5° | 121.2° |
| C3 | C2 | C1 | 118.3° | 117.6° |
| OAG | C2 | C1 | 123.3° | 121.2° |
| C2 | C1 | O1 | 113.3° | 109.7° |
| C2 | C1 | O5 | 108.9° | 108.9° |
| C2 | C1 | H1 | 109.5° | 109.6° |
| O1 | C1 | O5 | 115.3° | 109.6° |
| O1 | C1 | H1 | 102.1° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 106.8° |
| O5 | C1 | H1 | 107.2° | 109.6° |
| C1 | O5 | C5 | 114.0° | 107.7° |
| O5 | C5 | C6 | 113.3° | 109.4° |
| O5 | C5 | H5 | 108.6° | 109.3° |
| C6 | C5 | H5 | 108.2° | 109.4° |
| C5 | C6 | O6 | 108.5° | 109.5° |
| C5 | C6 | H61 | 109.8° | 109.5° |
| C5 | C6 | H62 | 110.0° | 109.5° |
| O6 | C6 | H61 | 109.8° | 109.4° |
| O6 | C6 | H62 | 110.0° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 106.8° |
| H61 | C6 | H62 | 108.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C3 | C5 | 122.3° | 119.7° |
| O4 | C4 | C3 | H4 | 120.4° | 120.3° |
| O4 | C4 | C5 | H4 | 120.3° | 120.4° |
| O4 | C4 | C3 | O3 | 73.2° | 72.0° |
| O4 | C4 | C3 | C2 | 168.6° | 168.6° |
| O4 | C4 | C3 | H3 | 49.8° | 49.1° |
| O4 | C4 | C5 | O5 | 178.6° | 175.2° |
| O4 | C4 | C5 | C6 | 58.2° | 55.0° |
| O4 | C4 | C5 | H5 | 61.5° | 64.7° |
| HO4 | O4 | C4 | C3 | 113.4° | 60.0° |
| HO4 | O4 | C4 | C5 | 8.7° | 179.2° |
| HO4 | O4 | C4 | H4 | 126.0° | 60.3° |
| C3 | C4 | C5 | H4 | 120.5° | 119.9° |
| C4 | C3 | O3 | C2 | 121.0° | 117.9° |
| C4 | C3 | O3 | H3 | 120.2° | 121.1° |
| C4 | C3 | C2 | H3 | 120.4° | 119.5° |
| C4 | C3 | O3 | HO3 | 86.3° | 177.9° |
| C4 | C3 | C2 | OAG | 144.5° | 134.4° |
| C4 | C3 | C2 | C1 | 35.0° | 45.5° |
| C3 | C4 | C5 | O5 | 62.1° | 65.1° |
| C3 | C4 | C5 | C6 | 177.5° | 174.8° |
| C3 | C4 | C5 | H5 | 57.8° | 55.0° |
| C5 | C4 | C3 | O3 | 164.5° | 168.3° |
| C5 | C4 | C3 | C2 | 46.4° | 48.9° |
| C5 | C4 | C3 | H3 | 72.5° | 70.6° |
| C4 | C5 | O5 | C1 | 69.5° | 71.4° |
| C4 | C5 | O5 | C6 | 115.3° | 120.1° |
| C4 | C5 | O5 | H5 | 124.5° | 120.1° |
| C4 | C5 | C6 | H5 | 124.5° | 119.8° |
| C4 | C5 | C6 | O6 | 67.2° | 174.8° |
| C4 | C5 | C6 | H61 | 172.8° | 65.3° |
| C4 | C5 | C6 | H62 | 53.2° | 54.7° |
| H4 | C4 | C3 | O3 | 47.2° | 48.3° |
| H4 | C4 | C3 | C2 | 71.0° | 71.1° |
| H4 | C4 | C3 | H3 | 170.2° | 169.4° |
| H4 | C4 | C5 | O5 | 58.3° | 54.8° |
| H4 | C4 | C5 | C6 | 62.0° | 65.4° |
| H4 | C4 | C5 | H5 | 178.3° | 174.9° |
| O3 | C3 | C2 | H3 | 123.0° | 121.0° |
| O3 | C3 | C2 | OAG | 27.9° | 15.0° |
| O3 | C3 | C2 | C1 | 151.5° | 165.0° |
| C2 | C3 | O3 | HO3 | 152.7° | 60.0° |
| C3 | C2 | OAG | C1 | 179.4° | 180.0° |
| C3 | C2 | C1 | O1 | 167.7° | 171.9° |
| C3 | C2 | C1 | O5 | 37.9° | 52.0° |
| C3 | C2 | C1 | H1 | 79.0° | 67.8° |
| H3 | C3 | O3 | HO3 | 34.0° | 61.0° |
| H3 | C3 | C2 | OAG | 95.1° | 106.0° |
| H3 | C3 | C2 | C1 | 85.4° | 74.0° |
| OAG | C2 | C1 | O1 | 11.7° | 8.0° |
| OAG | C2 | C1 | O5 | 141.5° | 127.9° |
| OAG | C2 | C1 | H1 | 101.5° | 112.2° |
| C2 | C1 | O1 | O5 | 126.5° | 119.5° |
| C2 | C1 | O1 | H1 | 117.7° | 120.3° |
| C2 | C1 | O5 | H1 | 118.4° | 119.8° |
| C2 | C1 | O1 | HO1 | 21.4° | 179.4° |
| C2 | C1 | O5 | C5 | 56.7° | 61.7° |
| O1 | C1 | O5 | H1 | 112.9° | 120.2° |
| O1 | C1 | O5 | C5 | 174.6° | 178.4° |
| O5 | C1 | O1 | HO1 | 105.1° | 60.0° |
| C1 | O5 | C5 | C6 | 175.2° | 168.5° |
| C1 | O5 | C5 | H5 | 55.0° | 48.7° |
| H1 | C1 | O1 | HO1 | 139.0° | 60.3° |
| H1 | C1 | O5 | C5 | 61.7° | 58.2° |
| O5 | C5 | C6 | H5 | 120.4° | 119.7° |
| O5 | C5 | C6 | O6 | 47.8° | 64.7° |
| O5 | C5 | C6 | H61 | 72.1° | 55.3° |
| O5 | C5 | C6 | H62 | 168.2° | 175.3° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.4° | 120.0° |
| C5 | C6 | H61 | H62 | 120.4° | 120.0° |
| C5 | C6 | O6 | HO6 | 176.1° | 180.0° |
| H5 | C5 | C6 | O6 | 168.3° | 55.0° |
| H5 | C5 | C6 | H61 | 48.3° | 175.0° |
| H5 | C5 | C6 | H62 | 71.4° | 65.0° |
| O6 | C6 | H61 | H62 | 120.3° | 120.0° |
| H61 | C6 | O6 | HO6 | 63.9° | 60.0° |
| H62 | C6 | O6 | HO6 | 55.7° | 60.0° |
