TW7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.45Å | |
| O3 | C3 | sing | 1.43Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.48Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| O6 | C6 | sing | 1.43Å | 1.47Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| F21 | C2 | sing | 1.40Å | 1.35Å | |
| C2 | F22 | sing | 1.40Å | 1.36Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| O5 | C1 | sing | 1.43Å | 1.49Å | |
| C1 | F1 | sing | 1.40Å | 1.32Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C3 | 111.2° | 109.5° |
| O4 | C4 | C5 | 104.8° | 109.5° |
| O4 | C4 | H4 | 110.5° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O3 | C3 | C4 | 108.8° | 109.6° |
| O3 | C3 | C2 | 109.3° | 109.5° |
| O3 | C3 | H3 | 108.3° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 110.9° | 109.2° |
| C4 | C3 | C2 | 113.7° | 109.0° |
| C4 | C3 | H3 | 108.3° | 109.6° |
| C3 | C4 | H4 | 110.0° | 109.5° |
| C4 | C5 | C6 | 109.1° | 109.5° |
| C4 | C5 | O5 | 113.4° | 109.4° |
| C5 | C4 | H4 | 109.2° | 109.6° |
| C4 | C5 | H5 | 107.7° | 109.5° |
| O6 | C6 | C5 | 108.4° | 109.5° |
| O6 | C6 | H61 | 109.7° | 109.5° |
| O6 | C6 | H62 | 109.7° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C6 | C5 | O5 | 109.8° | 109.4° |
| C6 | C5 | H5 | 107.8° | 109.5° |
| C5 | C6 | H61 | 109.7° | 109.5° |
| C5 | C6 | H62 | 109.7° | 109.5° |
| C3 | C2 | F21 | 110.2° | 109.6° |
| C3 | C2 | F22 | 113.3° | 109.5° |
| C3 | C2 | C1 | 111.7° | 109.2° |
| C2 | C3 | H3 | 108.2° | 109.6° |
| C5 | O5 | C1 | 114.8° | 114.1° |
| O5 | C5 | H5 | 108.9° | 109.4° |
| F21 | C2 | F22 | 105.3° | 109.6° |
| F21 | C2 | C1 | 108.6° | 109.5° |
| F22 | C2 | C1 | 107.5° | 109.5° |
| C2 | C1 | O5 | 109.7° | 109.4° |
| C2 | C1 | F1 | 111.6° | 109.5° |
| C2 | C1 | H1 | 106.4° | 109.5° |
| O5 | C1 | F1 | 113.1° | 109.5° |
| O5 | C1 | H1 | 106.8° | 109.5° |
| F1 | C1 | H1 | 108.9° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C3 | O3 | 71.0° | 63.2° |
| O4 | C4 | C3 | C5 | 116.3° | 119.9° |
| O4 | C4 | C3 | H4 | 122.8° | 120.1° |
| O4 | C4 | C5 | H4 | 118.4° | 120.1° |
| O4 | C4 | C5 | C6 | 69.0° | 62.5° |
| O4 | C4 | C3 | C2 | 166.9° | 176.9° |
| O4 | C4 | C5 | O5 | 168.3° | 177.5° |
| O4 | C4 | C3 | H3 | 46.5° | 57.0° |
| O4 | C4 | C5 | H5 | 47.7° | 57.6° |
| O3 | C3 | C4 | C2 | 122.1° | 119.9° |
| O3 | C3 | C4 | H3 | 117.5° | 120.2° |
| O3 | C3 | C4 | C5 | 172.7° | 176.9° |
| O3 | C3 | C2 | H3 | 117.7° | 120.2° |
| O3 | C3 | C2 | F21 | 56.1° | 57.0° |
| O3 | C3 | C2 | F22 | 61.6° | 63.2° |
| O3 | C3 | C2 | C1 | 176.8° | 176.9° |
| O3 | C3 | C4 | H4 | 51.8° | 56.9° |
| C3 | C4 | C5 | H4 | 121.4° | 120.0° |
| C3 | C4 | C5 | C6 | 170.9° | 177.6° |
| C4 | C3 | C2 | H3 | 120.4° | 119.9° |
| C3 | C4 | C5 | O5 | 48.1° | 57.7° |
| C4 | C3 | C2 | F21 | 65.8° | 62.9° |
| C4 | C3 | C2 | F22 | 176.6° | 176.9° |
| C4 | C3 | C2 | C1 | 55.0° | 57.0° |
| C3 | C4 | C5 | H5 | 72.4° | 62.3° |
| C4 | C3 | O3 | HO3 | 180.0° | 179.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.1° |
| C4 | C5 | C6 | O6 | 79.2° | 175.0° |
| C4 | C5 | C6 | O5 | 124.9° | 119.9° |
| C4 | C5 | C6 | H5 | 116.7° | 120.1° |
| C5 | C4 | C3 | C2 | 50.6° | 57.0° |
| C4 | C5 | O5 | H5 | 119.9° | 120.0° |
| C4 | C5 | O5 | C1 | 51.1° | 61.2° |
| C5 | C4 | C3 | H3 | 69.7° | 62.9° |
| C4 | C5 | C6 | H61 | 40.6° | 55.0° |
| C4 | C5 | C6 | H62 | 160.9° | 65.0° |
| C5 | C4 | O4 | HO4 | 60.1° | 179.7° |
| O6 | C6 | C5 | H61 | 119.8° | 120.0° |
| O6 | C6 | C5 | H62 | 119.9° | 120.0° |
| O6 | C6 | C5 | O5 | 45.6° | 65.0° |
| O6 | C6 | C5 | H5 | 164.1° | 54.9° |
| O6 | C6 | H61 | H62 | 120.5° | 120.0° |
| C6 | C5 | O5 | H5 | 117.8° | 120.0° |
| C6 | C5 | O5 | C1 | 173.4° | 178.9° |
| C6 | C5 | C4 | H4 | 49.4° | 57.6° |
| C5 | C6 | H61 | H62 | 120.5° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
| C3 | C2 | F21 | F22 | 122.5° | 120.1° |
| C3 | C2 | F21 | C1 | 122.6° | 119.7° |
| C3 | C2 | F22 | C1 | 123.9° | 119.6° |
| C3 | C2 | C1 | O5 | 53.8° | 57.6° |
| C3 | C2 | C1 | F1 | 72.4° | 62.3° |
| C3 | C2 | C1 | H1 | 168.9° | 177.6° |
| C2 | C3 | C4 | H4 | 70.4° | 63.0° |
| C2 | C3 | O3 | HO3 | 55.2° | 60.0° |
| C5 | O5 | C1 | C2 | 53.2° | 61.1° |
| C5 | O5 | C1 | F1 | 72.2° | 58.9° |
| C5 | O5 | C1 | H1 | 168.0° | 178.9° |
| O5 | C5 | C4 | H4 | 73.3° | 62.3° |
| O5 | C5 | C6 | H61 | 165.5° | 175.0° |
| O5 | C5 | C6 | H62 | 74.2° | 54.9° |
| F21 | C2 | F22 | C1 | 115.6° | 120.2° |
| F21 | C2 | C1 | O5 | 67.9° | 62.4° |
| F21 | C2 | C1 | F1 | 165.9° | 177.7° |
| F21 | C2 | C1 | H1 | 47.2° | 57.7° |
| F21 | C2 | C3 | H3 | 173.8° | 177.2° |
| F22 | C2 | C1 | O5 | 178.7° | 177.5° |
| F22 | C2 | C1 | F1 | 52.5° | 57.5° |
| F22 | C2 | C1 | H1 | 66.2° | 62.5° |
| F22 | C2 | C3 | H3 | 56.2° | 57.0° |
| C2 | C1 | O5 | F1 | 125.4° | 120.0° |
| C2 | C1 | O5 | H1 | 114.9° | 120.0° |
| C2 | C1 | F1 | H1 | 117.1° | 120.0° |
| C1 | C2 | C3 | H3 | 65.5° | 62.9° |
| O5 | C1 | F1 | H1 | 118.5° | 120.0° |
| C1 | O5 | C5 | H5 | 68.8° | 58.8° |
| H3 | C3 | C4 | H4 | 169.3° | 177.1° |
| H3 | C3 | O3 | HO3 | 62.5° | 60.2° |
| H4 | C4 | C5 | H5 | 166.1° | 177.7° |
| H4 | C4 | O4 | HO4 | 57.5° | 60.1° |
| H5 | C5 | C6 | H61 | 76.1° | 65.1° |
| H5 | C5 | C6 | H62 | 44.2° | 174.9° |
| H61 | C6 | O6 | HO6 | 60.1° | 59.9° |
| H62 | C6 | O6 | HO6 | 60.2° | 60.0° |
