B8D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O2 | C2 | sing | 1.43Å | 1.41Å | |
| C3 | C2 | sing | 1.53Å | 1.57Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.59Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | C4 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | CJ7 | sing | 1.43Å | 1.45Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| CJ7 | HJ7 | sing | 1.09Å | 1.10Å | |
| CJ7 | HJ7A | sing | 1.09Å | 1.10Å | |
| CJ7 | HJ7B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C1 | C2 | 114.0° | 109.5° |
| O1 | C1 | O5 | 112.1° | 109.5° |
| O1 | C1 | H1 | 103.5° | 109.5° |
| C2 | C1 | O5 | 106.6° | 109.4° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C1 | C2 | O2 | 111.4° | 109.5° |
| C1 | C2 | C3 | 109.4° | 109.2° |
| C1 | C2 | H2 | 108.1° | 109.5° |
| O5 | C1 | H1 | 111.3° | 109.4° |
| C1 | O5 | C5 | 118.0° | 114.1° |
| O2 | C2 | C3 | 109.2° | 109.6° |
| O2 | C2 | H2 | 108.3° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 110.4° | 109.5° |
| C2 | C3 | O3 | 110.4° | 109.6° |
| C2 | C3 | C4 | 111.2° | 109.1° |
| C2 | C3 | H3 | 108.1° | 109.6° |
| O3 | C3 | C4 | 110.6° | 109.5° |
| O3 | C3 | H3 | 108.7° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 107.8° | 109.6° |
| C3 | C4 | O4 | 109.9° | 109.5° |
| C3 | C4 | C5 | 109.9° | 109.1° |
| C3 | C4 | H4 | 108.5° | 109.5° |
| O4 | C4 | C5 | 108.1° | 109.6° |
| O4 | C4 | H4 | 110.2° | 109.6° |
| C4 | O4 | CJ7 | 116.8° | 114.0° |
| C5 | C4 | H4 | 110.2° | 109.5° |
| C4 | C5 | O5 | 113.6° | 109.4° |
| C4 | C5 | C6 | 111.7° | 109.5° |
| C4 | C5 | H5 | 104.6° | 109.5° |
| O4 | CJ7 | HJ7 | 109.5° | 109.5° |
| O4 | CJ7 | HJ7A | 109.5° | 109.4° |
| O4 | CJ7 | HJ7B | 109.5° | 109.5° |
| O5 | C5 | C6 | 108.3° | 109.5° |
| O5 | C5 | H5 | 108.3° | 109.5° |
| C6 | C5 | H5 | 110.3° | 109.5° |
| C5 | C6 | O6 | 109.5° | 109.5° |
| C5 | C6 | H61 | 109.4° | 109.4° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| O6 | C6 | H61 | 109.4° | 109.5° |
| O6 | C6 | H62 | 109.5° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| HJ7 | CJ7 | HJ7A | 109.5° | 109.5° |
| HJ7 | CJ7 | HJ7B | 109.5° | 109.4° |
| HJ7A | CJ7 | HJ7B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 124.2° | 120.0° |
| O1 | C1 | C2 | H1 | 115.3° | 120.1° |
| O1 | C1 | O5 | H1 | 115.4° | 120.0° |
| O1 | C1 | C2 | O2 | 57.6° | 57.6° |
| O1 | C1 | C2 | C3 | 63.3° | 62.4° |
| O1 | C1 | C2 | H2 | 176.5° | 177.7° |
| O1 | C1 | O5 | C5 | 63.3° | 58.8° |
| HO1 | O1 | C1 | C2 | 180.0° | 180.0° |
| HO1 | O1 | C1 | O5 | 58.8° | 60.1° |
| HO1 | O1 | C1 | H1 | 61.3° | 59.9° |
| C2 | C1 | O5 | H1 | 119.2° | 120.0° |
| C1 | C2 | O2 | C3 | 121.0° | 119.7° |
| C1 | C2 | O2 | H2 | 118.7° | 120.1° |
| C1 | C2 | C3 | H2 | 118.8° | 119.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
| C1 | C2 | C3 | O3 | 179.8° | 176.8° |
| C1 | C2 | C3 | C4 | 56.6° | 57.0° |
| C1 | C2 | C3 | H3 | 61.5° | 63.0° |
| C2 | C1 | O5 | C5 | 62.1° | 61.2° |
| O5 | C1 | C2 | O2 | 178.2° | 177.6° |
| O5 | C1 | C2 | C3 | 61.0° | 57.6° |
| O5 | C1 | C2 | H2 | 59.3° | 62.3° |
| C1 | O5 | C5 | C4 | 54.9° | 61.2° |
| C1 | O5 | C5 | C6 | 179.6° | 178.9° |
| C1 | O5 | C5 | H5 | 60.8° | 58.8° |
| H1 | C1 | C2 | O2 | 57.7° | 62.4° |
| H1 | C1 | C2 | C3 | 178.6° | 177.5° |
| H1 | C1 | C2 | H2 | 61.2° | 57.7° |
| H1 | C1 | O5 | C5 | 178.7° | 178.9° |
| O2 | C2 | C3 | H2 | 119.0° | 120.2° |
| O2 | C2 | C3 | O3 | 58.0° | 63.2° |
| O2 | C2 | C3 | C4 | 178.9° | 176.9° |
| O2 | C2 | C3 | H3 | 60.7° | 57.0° |
| C3 | C2 | O2 | HO2 | 59.0° | 179.7° |
| C2 | C3 | O3 | C4 | 123.5° | 119.6° |
| C2 | C3 | O3 | H3 | 118.4° | 120.2° |
| C2 | C3 | C4 | H3 | 118.3° | 120.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | O4 | 165.5° | 176.9° |
| C2 | C3 | C4 | C5 | 46.6° | 57.0° |
| C2 | C3 | C4 | H4 | 73.9° | 62.9° |
| H2 | C2 | O2 | HO2 | 61.3° | 60.2° |
| H2 | C2 | C3 | O3 | 61.0° | 57.0° |
| H2 | C2 | C3 | C4 | 62.2° | 62.9° |
| H2 | C2 | C3 | H3 | 179.7° | 177.2° |
| O3 | C3 | C4 | H3 | 118.7° | 120.1° |
| O3 | C3 | C4 | O4 | 71.5° | 63.2° |
| O3 | C3 | C4 | C5 | 169.6° | 176.9° |
| O3 | C3 | C4 | H4 | 49.1° | 57.0° |
| C4 | C3 | O3 | HO3 | 56.5° | 179.6° |
| C3 | C4 | O4 | C5 | 120.0° | 119.7° |
| C3 | C4 | O4 | H4 | 119.5° | 120.2° |
| C3 | C4 | C5 | H4 | 119.5° | 119.9° |
| C3 | C4 | O4 | CJ7 | 124.4° | 90.0° |
| C3 | C4 | C5 | O5 | 43.6° | 57.6° |
| C3 | C4 | C5 | C6 | 166.4° | 177.5° |
| C3 | C4 | C5 | H5 | 74.3° | 62.4° |
| H3 | C3 | O3 | HO3 | 61.6° | 60.3° |
| H3 | C3 | C4 | O4 | 47.2° | 56.9° |
| H3 | C3 | C4 | C5 | 71.7° | 63.0° |
| H3 | C3 | C4 | H4 | 167.8° | 177.1° |
| O4 | C4 | C5 | H4 | 120.5° | 120.2° |
| O4 | C4 | C5 | O5 | 163.5° | 177.5° |
| O4 | C4 | C5 | C6 | 73.6° | 62.5° |
| O4 | C4 | C5 | H5 | 45.7° | 57.5° |
| C4 | O4 | CJ7 | HJ7 | 180.0° | 180.0° |
| C4 | O4 | CJ7 | HJ7A | 60.0° | 60.0° |
| C4 | O4 | CJ7 | HJ7B | 60.0° | 60.0° |
| C5 | C4 | O4 | CJ7 | 115.7° | 150.3° |
| C4 | C5 | O5 | C6 | 124.7° | 120.0° |
| C4 | C5 | O5 | H5 | 115.7° | 120.0° |
| C4 | C5 | C6 | H5 | 115.9° | 120.0° |
| C4 | C5 | C6 | O6 | 69.0° | 175.0° |
| C4 | C5 | C6 | H61 | 171.0° | 55.0° |
| C4 | C5 | C6 | H62 | 51.0° | 65.0° |
| H4 | C4 | O4 | CJ7 | 4.9° | 30.1° |
| H4 | C4 | C5 | O5 | 75.9° | 62.3° |
| H4 | C4 | C5 | C6 | 46.9° | 57.7° |
| H4 | C4 | C5 | H5 | 166.2° | 177.7° |
| O4 | CJ7 | HJ7 | HJ7A | 120.0° | 119.9° |
| O4 | CJ7 | HJ7 | HJ7B | 120.0° | 120.0° |
| O4 | CJ7 | HJ7A | HJ7B | 120.0° | 120.0° |
| O5 | C5 | C6 | H5 | 118.3° | 120.0° |
| O5 | C5 | C6 | O6 | 56.8° | 65.1° |
| O5 | C5 | C6 | H61 | 63.2° | 174.9° |
| O5 | C5 | C6 | H62 | 176.8° | 55.0° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.1° |
| C5 | C6 | H61 | H62 | 120.0° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | C6 | O6 | 175.1° | 54.9° |
| H5 | C5 | C6 | H61 | 55.1° | 65.0° |
| H5 | C5 | C6 | H62 | 64.9° | 175.0° |
| O6 | C6 | H61 | H62 | 120.0° | 120.0° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 60.0° |
| HJ7 | CJ7 | HJ7A | HJ7B | 120.0° | 120.0° |
