AFR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C5 | sing | 1.40Å | 1.33Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| O5 | C1 | sing | 1.43Å | 1.46Å | |
| C1 | C2 | sing | 1.51Å | 1.35Å | |
| C2 | O2 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.52Å | 1.51Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C5 | C4 | 107.7° | 109.4° |
| F1 | C5 | C6 | 108.2° | 109.4° |
| F1 | C5 | O5 | 109.9° | 109.4° |
| C4 | C5 | C6 | 114.1° | 109.4° |
| C4 | C5 | O5 | 108.0° | 109.9° |
| C5 | C4 | O4 | 110.4° | 109.6° |
| C5 | C4 | C3 | 108.9° | 109.1° |
| C5 | C4 | H4 | 108.7° | 109.6° |
| C6 | C5 | O5 | 108.9° | 109.4° |
| C5 | C6 | O6 | 111.7° | 109.4° |
| C5 | C6 | H61 | 108.9° | 109.4° |
| C5 | C6 | H62 | 108.9° | 109.5° |
| C5 | O5 | C1 | 118.8° | 114.0° |
| O4 | C4 | C3 | 109.9° | 109.5° |
| O4 | C4 | H4 | 110.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | C2 | 109.9° | 108.0° |
| C4 | C3 | O3 | 110.9° | 109.8° |
| C3 | C4 | H4 | 108.7° | 109.6° |
| C4 | C3 | H3 | 107.5° | 109.8° |
| O6 | C6 | H61 | 108.9° | 109.5° |
| O6 | C6 | H62 | 108.9° | 109.5° |
| C6 | O6 | H6 | 109.5° | 113.9° |
| O5 | C1 | C2 | 121.4° | 108.4° |
| O5 | C1 | H11 | 106.4° | 109.7° |
| O5 | C1 | H12 | 106.4° | 109.7° |
| C1 | C2 | O2 | 118.9° | 121.1° |
| C1 | C2 | C3 | 119.9° | 117.8° |
| C2 | C1 | H11 | 106.4° | 109.6° |
| C2 | C1 | H12 | 106.4° | 109.7° |
| O2 | C2 | C3 | 121.1° | 121.1° |
| C2 | C3 | O3 | 111.9° | 109.8° |
| C2 | C3 | H3 | 107.8° | 109.7° |
| O3 | C3 | H3 | 108.8° | 109.8° |
| C3 | O3 | HO3 | 109.5° | 114.1° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C5 | C4 | C6 | 120.1° | 119.8° |
| F1 | C5 | C4 | O5 | 118.7° | 120.1° |
| F1 | C5 | C6 | O5 | 119.5° | 119.8° |
| F1 | C5 | C4 | O4 | 65.1° | 61.1° |
| F1 | C5 | C4 | C3 | 55.5° | 58.8° |
| F1 | C5 | C6 | O6 | 172.7° | 180.0° |
| F1 | C5 | O5 | C1 | 74.9° | 55.3° |
| F1 | C5 | C4 | H4 | 173.9° | 178.7° |
| F1 | C5 | C6 | H61 | 52.4° | 60.0° |
| F1 | C5 | C6 | H62 | 67.0° | 60.0° |
| C4 | C5 | C6 | O5 | 120.7° | 120.4° |
| C5 | C4 | O4 | C3 | 120.1° | 119.6° |
| C5 | C4 | O4 | H4 | 120.1° | 120.2° |
| C5 | C4 | C3 | H4 | 118.4° | 119.9° |
| C4 | C5 | C6 | O6 | 67.5° | 60.2° |
| C4 | C5 | O5 | C1 | 42.3° | 64.8° |
| C5 | C4 | C3 | C2 | 55.9° | 51.8° |
| C5 | C4 | C3 | O3 | 179.9° | 171.5° |
| C4 | C5 | C6 | H61 | 172.2° | 179.8° |
| C4 | C5 | C6 | H62 | 52.9° | 59.8° |
| C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 61.1° | 67.7° |
| C6 | C5 | C4 | O4 | 55.0° | 58.7° |
| C6 | C5 | C4 | C3 | 175.7° | 178.6° |
| C5 | C6 | O6 | H61 | 120.4° | 119.9° |
| C5 | C6 | O6 | H62 | 120.4° | 120.0° |
| C6 | C5 | O5 | C1 | 166.7° | 175.1° |
| C6 | C5 | C4 | H4 | 66.0° | 61.5° |
| C5 | C6 | H61 | H62 | 119.0° | 120.0° |
| C5 | C6 | O6 | H6 | 180.0° | 179.9° |
| O5 | C5 | C4 | O4 | 176.2° | 178.8° |
| O5 | C5 | C4 | C3 | 63.1° | 61.3° |
| O5 | C5 | C6 | O6 | 53.3° | 60.2° |
| C5 | O5 | C1 | C2 | 14.7° | 55.5° |
| O5 | C5 | C4 | H4 | 55.3° | 58.6° |
| O5 | C5 | C6 | H61 | 67.1° | 59.8° |
| O5 | C5 | C6 | H62 | 173.6° | 179.8° |
| C5 | O5 | C1 | H11 | 106.9° | 64.1° |
| C5 | O5 | C1 | H12 | 136.4° | 175.3° |
| O4 | C4 | C3 | H4 | 120.6° | 120.1° |
| O4 | C4 | C3 | C2 | 176.9° | 171.8° |
| O4 | C4 | C3 | O3 | 58.9° | 68.6° |
| O4 | C4 | C3 | H3 | 59.9° | 52.2° |
| C4 | C3 | C2 | C1 | 28.3° | 48.3° |
| C4 | C3 | C2 | O2 | 152.8° | 131.5° |
| C4 | C3 | C2 | O3 | 123.6° | 119.7° |
| C4 | C3 | C2 | H3 | 116.9° | 119.6° |
| C4 | C3 | O3 | H3 | 118.0° | 120.8° |
| C3 | C4 | O4 | HO4 | 59.9° | 60.4° |
| C4 | C3 | O3 | HO3 | 135.5° | 180.0° |
| O6 | C6 | H61 | H62 | 118.9° | 120.0° |
| O5 | C1 | C2 | H11 | 121.7° | 119.7° |
| O5 | C1 | C2 | H12 | 121.6° | 119.8° |
| O5 | C1 | C2 | O2 | 174.3° | 131.3° |
| O5 | C1 | C2 | C3 | 6.9° | 48.6° |
| O5 | C1 | H11 | H12 | 114.6° | 120.6° |
| C1 | C2 | O2 | C3 | 178.9° | 179.9° |
| C1 | C2 | C3 | O3 | 151.9° | 168.0° |
| C1 | C2 | C3 | H3 | 88.5° | 71.3° |
| C2 | C1 | H11 | H12 | 114.6° | 120.5° |
| O2 | C2 | C3 | O3 | 29.2° | 11.8° |
| O2 | C2 | C3 | H3 | 90.3° | 108.8° |
| O2 | C2 | C1 | H11 | 64.1° | 109.0° |
| O2 | C2 | C1 | H12 | 52.6° | 11.5° |
| C2 | C3 | O3 | H3 | 118.9° | 120.6° |
| C2 | C3 | C4 | H4 | 62.4° | 68.1° |
| C3 | C2 | C1 | H11 | 114.8° | 71.2° |
| C3 | C2 | C1 | H12 | 128.5° | 168.3° |
| C2 | C3 | O3 | HO3 | 12.4° | 61.4° |
| O3 | C3 | C4 | H4 | 61.8° | 51.6° |
| H4 | C4 | O4 | HO4 | 59.9° | 59.8° |
| H4 | C4 | C3 | H3 | 179.5° | 172.4° |
| H61 | C6 | O6 | H6 | 59.7° | 60.0° |
| H62 | C6 | O6 | H6 | 59.6° | 60.0° |
| H3 | C3 | O3 | HO3 | 106.5° | 59.2° |
