GUL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | F1 | sing | 1.36Å | 1.35Å | |
| C1 | C2 | sing | 1.54Å | 1.56Å | |
| C1 | C6 | sing | 1.52Å | 1.51Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C4 | O4 | sing | 1.42Å | 1.40Å | |
| C4 | C3 | sing | 1.53Å | 1.59Å | |
| C4 | C5 | sing | 1.52Å | 1.51Å | |
| C4 | H4 | sing | 1.10Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C3 | H3 | sing | 1.10Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.10Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C6 | O6 | sing | 1.42Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | F2 | sing | 1.36Å | 72.37Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | C2 | 106.4° | 108.9° |
| F1 | C1 | C6 | 109.7° | 107.2° |
| F1 | C1 | O5 | 103.7° | 107.8° |
| C2 | C1 | C6 | 115.9° | 112.7° |
| C2 | C1 | O5 | 109.5° | 112.5° |
| C1 | C2 | C3 | 114.6° | 111.6° |
| C1 | C2 | O2 | 107.3° | 109.4° |
| C1 | C2 | H2 | 107.3° | 109.1° |
| C6 | C1 | O5 | 110.9° | 107.6° |
| C1 | C6 | O6 | 109.9° | 108.7° |
| C1 | C6 | H61 | 112.0° | 110.1° |
| C1 | C6 | H62 | 112.0° | 110.1° |
| C1 | O5 | C5 | 122.5° | 114.0° |
| O4 | C4 | C3 | 111.3° | 111.0° |
| O4 | C4 | C5 | 107.1° | 109.5° |
| O4 | C4 | H4 | 111.5° | 107.5° |
| C4 | O4 | HO4 | 111.3° | 106.9° |
| C3 | C4 | C5 | 113.7° | 111.3° |
| C3 | C4 | H4 | 104.5° | 108.6° |
| C4 | C3 | O3 | 105.8° | 110.4° |
| C4 | C3 | C2 | 109.3° | 109.9° |
| C4 | C3 | H3 | 110.9° | 109.5° |
| C5 | C4 | H4 | 108.8° | 108.8° |
| C4 | C5 | O5 | 109.6° | 111.3° |
| C4 | C5 | F2 | 168.9° | 110.5° |
| C4 | C5 | H5 | 67.4° | 110.9° |
| O3 | C3 | C2 | 106.0° | 108.7° |
| O3 | C3 | H3 | 113.9° | 107.2° |
| C3 | O3 | HO3 | 105.8° | 106.5° |
| C2 | C3 | H3 | 110.7° | 111.1° |
| C3 | C2 | O2 | 108.7° | 109.2° |
| C3 | C2 | H2 | 105.9° | 109.6° |
| O2 | C2 | H2 | 113.4° | 107.9° |
| C2 | O2 | HO2 | 107.3° | 106.6° |
| O6 | C6 | H61 | 112.0° | 109.2° |
| O6 | C6 | H62 | 112.0° | 109.2° |
| C6 | O6 | HO6 | 109.9° | 107.0° |
| H61 | C6 | H62 | 98.4° | 109.6° |
| O5 | C5 | F2 | 81.2° | 108.2° |
| O5 | C5 | H5 | 175.5° | 108.8° |
| F2 | C5 | H5 | 102.1° | 107.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C2 | C6 | 122.2° | 118.8° |
| F1 | C1 | C2 | O5 | 111.5° | 119.5° |
| F1 | C1 | C6 | O5 | 113.9° | 115.6° |
| F1 | C1 | C2 | C3 | 166.1° | 68.4° |
| F1 | C1 | C2 | O2 | 73.2° | 170.7° |
| F1 | C1 | C2 | H2 | 48.9° | 52.8° |
| F1 | C1 | C6 | O6 | 60.5° | 60.3° |
| F1 | C1 | C6 | H61 | 174.2° | 179.8° |
| F1 | C1 | C6 | H62 | 64.7° | 59.3° |
| F1 | C1 | O5 | C5 | 135.5° | 64.6° |
| C2 | C1 | C6 | O5 | 125.6° | 124.6° |
| C1 | C2 | C3 | C4 | 28.7° | 49.7° |
| C1 | C2 | C3 | O3 | 142.3° | 71.3° |
| C1 | C2 | C3 | O2 | 119.9° | 121.1° |
| C1 | C2 | C3 | H2 | 118.0° | 120.9° |
| C1 | C2 | C3 | H3 | 93.7° | 171.0° |
| C1 | C2 | O2 | H2 | 118.2° | 118.6° |
| C1 | C2 | O2 | HO2 | 179.9° | 43.2° |
| C2 | C1 | C6 | O6 | 179.0° | 59.5° |
| C2 | C1 | C6 | H61 | 53.8° | 60.0° |
| C2 | C1 | C6 | H62 | 55.8° | 179.1° |
| C2 | C1 | O5 | C5 | 22.3° | 55.6° |
| C6 | C1 | C2 | C3 | 71.6° | 172.9° |
| C6 | C1 | C2 | O2 | 49.1° | 51.9° |
| C6 | C1 | C2 | H2 | 171.2° | 66.0° |
| C1 | C6 | O6 | H61 | 125.2° | 120.1° |
| C1 | C6 | O6 | H62 | 125.2° | 120.1° |
| C1 | C6 | H61 | H62 | 118.0° | 121.2° |
| C1 | C6 | O6 | HO6 | 179.9° | 125.9° |
| C6 | C1 | O5 | C5 | 106.9° | 179.8° |
| C1 | O5 | C5 | C4 | 32.6° | 58.0° |
| O5 | C1 | C2 | C3 | 54.7° | 51.1° |
| O5 | C1 | C2 | O2 | 175.4° | 69.9° |
| O5 | C1 | C2 | H2 | 62.5° | 172.2° |
| O5 | C1 | C6 | O6 | 53.4° | 175.9° |
| O5 | C1 | C6 | H61 | 71.8° | 64.5° |
| O5 | C1 | C6 | H62 | 178.6° | 56.4° |
| C1 | O5 | C5 | F2 | 150.1° | 63.6° |
| C1 | O5 | C5 | H5 | 13.9° | 179.6° |
| O4 | C4 | C3 | C5 | 121.0° | 122.2° |
| O4 | C4 | C3 | H4 | 120.4° | 118.1° |
| O4 | C4 | C5 | H4 | 120.6° | 117.3° |
| O4 | C4 | C3 | O3 | 34.4° | 54.8° |
| O4 | C4 | C3 | C2 | 148.2° | 174.7° |
| O4 | C4 | C3 | H3 | 89.6° | 63.0° |
| O4 | C4 | C5 | O5 | 177.7° | 179.4° |
| O4 | C4 | C5 | F2 | 11.9° | 59.1° |
| O4 | C4 | C5 | H5 | 5.9° | 59.4° |
| C3 | C4 | C5 | H4 | 116.0° | 119.7° |
| C3 | C4 | O4 | HO4 | 179.9° | 115.9° |
| C4 | C3 | O3 | C2 | 116.0° | 120.6° |
| C4 | C3 | O3 | H3 | 122.0° | 119.2° |
| C4 | C3 | C2 | H3 | 122.4° | 121.3° |
| C4 | C3 | O3 | HO3 | 180.0° | 80.6° |
| C4 | C3 | C2 | O2 | 148.6° | 71.4° |
| C4 | C3 | C2 | H2 | 89.3° | 170.6° |
| C3 | C4 | C5 | O5 | 58.9° | 56.3° |
| C3 | C4 | C5 | F2 | 135.3° | 64.0° |
| C3 | C4 | C5 | H5 | 117.5° | 177.5° |
| C5 | C4 | O4 | HO4 | 55.1° | 7.4° |
| C5 | C4 | C3 | O3 | 86.6° | 67.4° |
| C5 | C4 | C3 | C2 | 27.2° | 52.5° |
| C5 | C4 | C3 | H3 | 149.4° | 174.8° |
| C4 | C5 | O5 | F2 | 177.3° | 121.6° |
| C4 | C5 | O5 | H5 | 46.5° | 122.4° |
| C4 | C5 | F2 | H5 | 16.8° | 120.8° |
| H4 | C4 | O4 | HO4 | 63.9° | 125.4° |
| H4 | C4 | C3 | O3 | 154.9° | 172.9° |
| H4 | C4 | C3 | C2 | 91.4° | 67.2° |
| H4 | C4 | C3 | H3 | 30.9° | 55.1° |
| H4 | C4 | C5 | O5 | 57.1° | 63.3° |
| H4 | C4 | C5 | F2 | 108.7° | 176.4° |
| H4 | C4 | C5 | H5 | 126.5° | 57.8° |
| O3 | C3 | C2 | H3 | 124.0° | 117.8° |
| O3 | C3 | C2 | O2 | 97.8° | 167.6° |
| O3 | C3 | C2 | H2 | 24.3° | 49.6° |
| C2 | C3 | O3 | HO3 | 64.0° | 40.0° |
| C3 | C2 | O2 | H2 | 117.4° | 119.0° |
| C3 | C2 | O2 | HO2 | 55.7° | 79.2° |
| H3 | C3 | O3 | HO3 | 58.0° | 160.2° |
| H3 | C3 | C2 | O2 | 26.2° | 49.9° |
| H3 | C3 | C2 | H2 | 148.3° | 68.2° |
| H2 | C2 | O2 | HO2 | 61.7° | 161.8° |
| O6 | C6 | H61 | H62 | 118.0° | 119.6° |
| H61 | C6 | O6 | HO6 | 54.8° | 5.8° |
| H62 | C6 | O6 | HO6 | 54.7° | 114.0° |
| O5 | C5 | F2 | H5 | 176.8° | 117.1° |
