B0D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.40Å | 1.40Å | |
| F2 | C5 | sing | 1.40Å | 1.36Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | O5 | sing | 1.43Å | 1.48Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C5 | O5 | sing | 1.43Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| 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) |
| F1 | C1 | C2 | 111.9° | 109.5° |
| F1 | C1 | O5 | 111.9° | 109.5° |
| F1 | C1 | H1 | 105.9° | 109.5° |
| F2 | C5 | C4 | 111.0° | 109.4° |
| F2 | C5 | O5 | 110.4° | 109.5° |
| F2 | C5 | C6 | 104.6° | 109.5° |
| C2 | C1 | O5 | 109.1° | 109.4° |
| C1 | C2 | O2 | 110.2° | 109.6° |
| C1 | C2 | C3 | 110.5° | 109.2° |
| C2 | C1 | H1 | 108.9° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| C1 | O5 | C5 | 117.0° | 114.1° |
| O5 | C1 | H1 | 108.9° | 109.5° |
| O2 | C2 | C3 | 111.2° | 109.5° |
| O2 | C2 | H2 | 108.1° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O3 | 110.5° | 109.5° |
| C2 | C3 | C4 | 109.0° | 109.0° |
| C3 | C2 | H2 | 107.8° | 109.5° |
| C2 | C3 | H3 | 109.4° | 109.6° |
| O3 | C3 | C4 | 110.3° | 109.5° |
| O3 | C3 | H3 | 108.0° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 113.9° |
| C3 | C4 | O4 | 111.1° | 109.5° |
| C3 | C4 | C5 | 110.2° | 109.2° |
| C4 | C3 | H3 | 109.6° | 109.6° |
| C3 | C4 | H4 | 108.0° | 109.5° |
| O4 | C4 | C5 | 110.0° | 109.5° |
| O4 | C4 | H4 | 108.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | O5 | 109.3° | 109.4° |
| C4 | C5 | C6 | 110.3° | 109.5° |
| C5 | C4 | H4 | 109.1° | 109.6° |
| O5 | C5 | C6 | 111.2° | 109.5° |
| C5 | C6 | O6 | 109.4° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.4° |
| O6 | C6 | H61 | 109.5° | 109.5° |
| O6 | C6 | H62 | 109.5° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C2 | O5 | 124.4° | 119.9° |
| F1 | C1 | C2 | H1 | 116.8° | 120.0° |
| F1 | C1 | O5 | H1 | 116.8° | 120.1° |
| F1 | C1 | C2 | O2 | 53.8° | 57.7° |
| F1 | C1 | C2 | C3 | 69.6° | 177.6° |
| F1 | C1 | O5 | C5 | 68.8° | 178.9° |
| F1 | C1 | C2 | H2 | 172.2° | 62.5° |
| F2 | C5 | O5 | C1 | 178.5° | 58.8° |
| F2 | C5 | C4 | C3 | 177.7° | 62.4° |
| F2 | C5 | C4 | O4 | 59.4° | 177.8° |
| F2 | C5 | C4 | O5 | 122.0° | 119.9° |
| F2 | C5 | C4 | C6 | 115.4° | 120.0° |
| F2 | C5 | O5 | C6 | 115.7° | 120.1° |
| F2 | C5 | C6 | O6 | 69.6° | 60.0° |
| F2 | C5 | C4 | H4 | 59.2° | 57.6° |
| F2 | C5 | C6 | H61 | 170.4° | 60.0° |
| F2 | C5 | C6 | H62 | 50.4° | 179.9° |
| C2 | C1 | O5 | H1 | 118.8° | 120.0° |
| C1 | C2 | O2 | C3 | 122.9° | 119.7° |
| C1 | C2 | O2 | H2 | 118.9° | 120.1° |
| C1 | C2 | C3 | H2 | 118.8° | 119.9° |
| C1 | C2 | C3 | O3 | 179.5° | 62.8° |
| C1 | C2 | C3 | C4 | 58.1° | 57.0° |
| C2 | C1 | O5 | C5 | 55.6° | 61.2° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 61.7° | 177.0° |
| O5 | C1 | C2 | O2 | 178.2° | 62.3° |
| O5 | C1 | C2 | C3 | 54.8° | 57.7° |
| C1 | O5 | C5 | C4 | 56.2° | 61.2° |
| C1 | O5 | C5 | C6 | 65.8° | 178.8° |
| O5 | C1 | C2 | H2 | 63.4° | 177.6° |
| O2 | C2 | C3 | H2 | 118.4° | 120.1° |
| O2 | C2 | C3 | O3 | 57.7° | 177.2° |
| O2 | C2 | C3 | C4 | 179.1° | 63.0° |
| O2 | C2 | C1 | H1 | 63.0° | 177.7° |
| O2 | C2 | C3 | H3 | 61.1° | 57.0° |
| C2 | C3 | O3 | C4 | 120.6° | 119.5° |
| C2 | C3 | O3 | H3 | 119.7° | 120.2° |
| C2 | C3 | C4 | H3 | 119.7° | 119.9° |
| C2 | C3 | C4 | O4 | 179.3° | 62.9° |
| C2 | C3 | C4 | C5 | 58.4° | 56.9° |
| C3 | C2 | C1 | H1 | 173.6° | 62.4° |
| C3 | C2 | O2 | HO2 | 57.1° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 60.8° | 177.0° |
| O3 | C3 | C4 | H3 | 118.8° | 120.3° |
| O3 | C3 | C4 | O4 | 57.8° | 177.3° |
| O3 | C3 | C4 | C5 | 179.9° | 62.9° |
| O3 | C3 | C2 | H2 | 60.6° | 57.1° |
| O3 | C3 | C4 | H4 | 60.7° | 57.2° |
| C3 | C4 | O4 | C5 | 122.4° | 119.7° |
| C3 | C4 | O4 | H4 | 118.4° | 120.1° |
| C3 | C4 | C5 | H4 | 118.5° | 120.0° |
| C3 | C4 | C5 | O5 | 55.7° | 57.6° |
| C3 | C4 | C5 | C6 | 66.9° | 177.6° |
| C4 | C3 | C2 | H2 | 60.7° | 176.9° |
| C4 | C3 | O3 | HO3 | 59.4° | 179.5° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| O4 | C4 | C5 | H4 | 118.6° | 120.2° |
| O4 | C4 | C5 | O5 | 178.6° | 62.3° |
| O4 | C4 | C5 | C6 | 56.0° | 57.7° |
| O4 | C4 | C3 | H3 | 61.0° | 57.0° |
| C4 | C5 | O5 | C6 | 122.0° | 120.0° |
| C4 | C5 | C6 | O6 | 171.0° | 60.0° |
| C5 | C4 | C3 | H3 | 61.3° | 176.9° |
| C5 | C4 | O4 | HO4 | 57.6° | 179.7° |
| C4 | C5 | C6 | H61 | 51.0° | 180.0° |
| C4 | C5 | C6 | H62 | 69.0° | 60.1° |
| O5 | C5 | C6 | O6 | 49.6° | 180.0° |
| C5 | O5 | C1 | H1 | 174.5° | 58.8° |
| O5 | C5 | C4 | H4 | 62.8° | 177.5° |
| O5 | C5 | C6 | H61 | 70.4° | 60.0° |
| O5 | C5 | C6 | H62 | 169.6° | 59.9° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C6 | C5 | C4 | H4 | 174.7° | 62.4° |
| C5 | C6 | H61 | H62 | 120.0° | 119.9° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | H61 | H62 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 55.4° | 57.6° |
| H2 | C2 | O2 | HO2 | 61.1° | 60.2° |
| H2 | C2 | C3 | H3 | 179.5° | 63.1° |
| H3 | C3 | O3 | HO3 | 60.3° | 60.2° |
| H3 | C3 | C4 | H4 | 179.5° | 63.1° |
| H4 | C4 | O4 | HO4 | 61.6° | 60.1° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 60.0° |
