14T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C8 | sing | 1.40Å | 1.36Å | |
| C8 | F2 | sing | 1.40Å | 1.36Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | O7 | doub | 1.21Å | 1.22Å | |
| C7 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C2 | sing | 1.46Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.57Å | |
| C3 | O3 | sing | 1.43Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| O5 | C1 | sing | 1.43Å | 1.45Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C10 | sing | 1.36Å | 1.38Å | |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | F3 | sing | 1.35Å | 1.35Å | |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | F4 | sing | 1.35Å | 1.35Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | 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 | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C8 | F2 | 102.5° | 109.5° |
| F1 | C8 | C7 | 107.3° | 109.4° |
| F1 | C8 | H81 | 115.8° | 109.4° |
| F2 | C8 | C7 | 111.3° | 109.5° |
| F2 | C8 | H81 | 112.1° | 109.5° |
| C8 | C7 | O7 | 119.5° | 120.0° |
| C8 | C7 | N2 | 116.4° | 120.0° |
| C7 | C8 | H81 | 107.7° | 109.5° |
| O7 | C7 | N2 | 124.1° | 120.0° |
| C7 | N2 | C2 | 127.0° | 120.0° |
| C7 | N2 | HN2 | 116.5° | 120.0° |
| N2 | C2 | C3 | 107.5° | 109.5° |
| N2 | C2 | C1 | 117.4° | 109.5° |
| C2 | N2 | HN2 | 116.5° | 120.0° |
| N2 | C2 | H2 | 107.6° | 109.6° |
| C3 | C2 | C1 | 115.3° | 109.1° |
| C2 | C3 | O3 | 110.5° | 109.5° |
| C2 | C3 | C4 | 111.6° | 109.0° |
| C3 | C2 | H2 | 110.2° | 109.5° |
| C2 | C3 | H3 | 108.5° | 109.5° |
| C2 | C1 | O5 | 115.8° | 109.4° |
| C2 | C1 | O1 | 105.0° | 109.5° |
| C1 | C2 | H2 | 98.1° | 109.5° |
| C2 | C1 | H1 | 106.9° | 109.5° |
| O3 | C3 | C4 | 112.8° | 109.6° |
| O3 | C3 | H3 | 107.2° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | O4 | 106.5° | 109.5° |
| C3 | C4 | C5 | 107.5° | 109.2° |
| C4 | C3 | H3 | 106.0° | 109.6° |
| C3 | C4 | H4 | 113.9° | 109.5° |
| O4 | C4 | C5 | 112.9° | 109.6° |
| O4 | C4 | H4 | 108.6° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | C6 | 112.3° | 109.5° |
| C4 | C5 | O5 | 112.1° | 109.5° |
| C5 | C4 | H4 | 107.5° | 109.6° |
| C4 | C5 | H5 | 105.2° | 109.5° |
| C6 | C5 | O5 | 108.0° | 109.5° |
| C5 | C6 | O6 | 109.9° | 109.5° |
| C6 | C5 | H5 | 109.5° | 109.4° |
| C5 | C6 | H61 | 109.3° | 109.5° |
| C5 | C6 | H62 | 109.2° | 109.5° |
| C5 | O5 | C1 | 121.1° | 114.1° |
| O5 | C5 | H5 | 109.7° | 109.5° |
| O6 | C6 | H61 | 109.3° | 109.5° |
| O6 | C6 | H62 | 109.2° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O5 | C1 | O1 | 104.7° | 109.5° |
| O5 | C1 | H1 | 107.3° | 109.5° |
| C1 | O1 | C10 | 128.4° | 117.0° |
| O1 | C1 | H1 | 117.6° | 109.5° |
| O1 | C10 | C9 | 121.3° | 120.0° |
| O1 | C10 | C11 | 118.3° | 120.0° |
| C9 | C10 | C11 | 120.4° | 120.0° |
| C10 | C9 | C14 | 119.0° | 120.0° |
| C10 | C9 | H9 | 120.5° | 120.1° |
| C10 | C11 | C12 | 120.5° | 120.0° |
| C10 | C11 | H11 | 119.8° | 120.1° |
| C9 | C14 | F3 | 120.1° | 120.0° |
| C9 | C14 | C13 | 121.0° | 119.9° |
| C14 | C9 | H9 | 120.5° | 120.0° |
| F3 | C14 | C13 | 118.9° | 120.0° |
| C14 | C13 | C12 | 120.4° | 120.1° |
| C14 | C13 | F4 | 118.0° | 120.0° |
| C11 | C12 | C13 | 118.7° | 120.0° |
| C12 | C11 | H11 | 119.8° | 119.9° |
| C11 | C12 | H12 | 120.7° | 120.0° |
| C12 | C13 | F4 | 121.7° | 120.0° |
| C13 | C12 | H12 | 120.6° | 120.0° |
| H61 | C6 | H62 | 109.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C8 | F2 | C7 | 114.5° | 120.0° |
| F1 | C8 | F2 | H81 | 124.8° | 120.0° |
| F1 | C8 | C7 | H81 | 125.3° | 119.9° |
| F1 | C8 | C7 | O7 | 1.7° | 5.0° |
| F1 | C8 | C7 | N2 | 178.2° | 175.0° |
| F2 | C8 | C7 | H81 | 123.3° | 120.1° |
| F2 | C8 | C7 | O7 | 113.2° | 125.0° |
| F2 | C8 | C7 | N2 | 66.7° | 55.0° |
| C8 | C7 | O7 | N2 | 179.9° | 180.0° |
| C8 | C7 | N2 | C2 | 178.9° | 180.0° |
| C8 | C7 | N2 | HN2 | 1.1° | 0.1° |
| O7 | C7 | N2 | C2 | 1.3° | 0.0° |
| O7 | C7 | C8 | H81 | 123.6° | 114.9° |
| O7 | C7 | N2 | HN2 | 178.7° | 180.0° |
| C7 | N2 | C2 | HN2 | 180.0° | 179.9° |
| C7 | N2 | C2 | C3 | 70.5° | 155.0° |
| C7 | N2 | C2 | C1 | 61.5° | 85.3° |
| N2 | C7 | C8 | H81 | 56.6° | 65.1° |
| C7 | N2 | C2 | H2 | 170.9° | 34.9° |
| N2 | C2 | C3 | C1 | 133.1° | 119.9° |
| N2 | C2 | C3 | H2 | 117.0° | 120.2° |
| N2 | C2 | C1 | H2 | 114.8° | 120.2° |
| N2 | C2 | C3 | O3 | 79.4° | 63.3° |
| N2 | C2 | C3 | C4 | 154.2° | 176.9° |
| N2 | C2 | C1 | O5 | 107.3° | 177.5° |
| N2 | C2 | C1 | O1 | 137.8° | 62.5° |
| N2 | C2 | C3 | H3 | 37.8° | 56.9° |
| N2 | C2 | C1 | H1 | 12.1° | 57.5° |
| C3 | C2 | C1 | H2 | 117.0° | 119.9° |
| C2 | C3 | O3 | C4 | 125.8° | 119.5° |
| C2 | C3 | O3 | H3 | 118.0° | 120.2° |
| C2 | C3 | C4 | H3 | 117.9° | 119.9° |
| C2 | C3 | C4 | O4 | 177.6° | 176.9° |
| C2 | C3 | C4 | C5 | 61.1° | 57.0° |
| C3 | C2 | C1 | O5 | 21.0° | 57.6° |
| C3 | C2 | C1 | O1 | 93.9° | 177.6° |
| C3 | C2 | N2 | HN2 | 109.5° | 25.0° |
| C3 | C2 | C1 | H1 | 140.4° | 62.4° |
| C2 | C3 | O3 | HO3 | 87.0° | 180.0° |
| C2 | C3 | C4 | H4 | 58.0° | 63.0° |
| C1 | C2 | C3 | O3 | 147.5° | 176.8° |
| C1 | C2 | C3 | C4 | 21.1° | 56.9° |
| C2 | C1 | O5 | C5 | 22.7° | 61.1° |
| C2 | C1 | O5 | O1 | 115.1° | 120.0° |
| C2 | C1 | O5 | H1 | 119.2° | 120.0° |
| C2 | C1 | O1 | H1 | 118.7° | 120.0° |
| C2 | C1 | O1 | C10 | 156.4° | 175.0° |
| C1 | C2 | N2 | HN2 | 118.6° | 94.7° |
| C1 | C2 | C3 | H3 | 95.3° | 63.0° |
| O3 | C3 | C4 | H3 | 117.0° | 120.3° |
| O3 | C3 | C4 | O4 | 52.4° | 63.2° |
| O3 | C3 | C4 | C5 | 173.7° | 176.8° |
| O3 | C3 | C2 | H2 | 37.6° | 56.9° |
| O3 | C3 | C4 | H4 | 67.2° | 56.8° |
| C3 | C4 | O4 | C5 | 117.8° | 119.8° |
| C3 | C4 | O4 | H4 | 123.0° | 120.0° |
| C3 | C4 | C5 | H4 | 123.0° | 119.9° |
| C3 | C4 | C5 | C6 | 177.3° | 177.6° |
| C3 | C4 | C5 | O5 | 60.8° | 57.6° |
| C4 | C3 | C2 | H2 | 88.8° | 63.0° |
| C4 | C3 | O3 | HO3 | 147.3° | 60.4° |
| C3 | C4 | O4 | HO4 | 145.7° | 180.0° |
| C3 | C4 | C5 | H5 | 58.3° | 62.4° |
| O4 | C4 | C5 | H4 | 119.8° | 120.1° |
| O4 | C4 | C5 | C6 | 60.1° | 62.5° |
| O4 | C4 | C5 | O5 | 178.0° | 177.5° |
| O4 | C4 | C3 | H3 | 64.5° | 57.0° |
| O4 | C4 | C5 | H5 | 58.9° | 57.5° |
| C4 | C5 | C6 | O5 | 124.1° | 120.0° |
| C4 | C5 | C6 | H5 | 116.5° | 120.0° |
| C4 | C5 | O5 | H5 | 116.5° | 120.0° |
| C4 | C5 | C6 | O6 | 69.7° | 175.0° |
| C4 | C5 | O5 | C1 | 18.3° | 61.1° |
| C5 | C4 | C3 | H3 | 56.8° | 62.9° |
| C5 | C4 | O4 | HO4 | 96.5° | 60.3° |
| C4 | C5 | C6 | H61 | 170.3° | 54.9° |
| C4 | C5 | C6 | H62 | 50.1° | 65.0° |
| C6 | C5 | O5 | H5 | 119.3° | 120.0° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 119.8° | 120.0° |
| C6 | C5 | O5 | C1 | 142.5° | 178.8° |
| C6 | C5 | C4 | H4 | 59.6° | 57.7° |
| C5 | C6 | H61 | H62 | 119.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 59.5° | 180.0° |
| O5 | C5 | C6 | O6 | 54.4° | 65.0° |
| C5 | O5 | C1 | O1 | 92.4° | 178.9° |
| C5 | O5 | C1 | H1 | 141.9° | 58.9° |
| O5 | C5 | C4 | H4 | 62.2° | 62.3° |
| O5 | C5 | C6 | H61 | 65.6° | 174.9° |
| O5 | C5 | C6 | H62 | 174.2° | 55.0° |
| O6 | C6 | C5 | H5 | 173.8° | 55.0° |
| O6 | C6 | H61 | H62 | 119.8° | 120.0° |
| O5 | C1 | O1 | H1 | 118.9° | 120.1° |
| O5 | C1 | O1 | C10 | 81.2° | 65.1° |
| O5 | C1 | C2 | H2 | 137.9° | 62.3° |
| C1 | O5 | C5 | H5 | 98.2° | 58.9° |
| C1 | O1 | C10 | C9 | 22.6° | 180.0° |
| C1 | O1 | C10 | C11 | 158.3° | 0.2° |
| O1 | C1 | C2 | H2 | 23.0° | 57.7° |
| O1 | C10 | C9 | C11 | 179.1° | 179.8° |
| O1 | C10 | C9 | C14 | 179.3° | 180.0° |
| O1 | C10 | C11 | C12 | 179.9° | 180.0° |
| C10 | O1 | C1 | H1 | 37.7° | 55.0° |
| O1 | C10 | C9 | H9 | 0.7° | 0.0° |
| O1 | C10 | C11 | H11 | 0.0° | 0.0° |
| C10 | C9 | C14 | H9 | 180.0° | 179.9° |
| C10 | C9 | C14 | F3 | 179.3° | 179.9° |
| C10 | C9 | C14 | C13 | 1.1° | 0.0° |
| C9 | C10 | C11 | C12 | 0.9° | 0.2° |
| C9 | C10 | C11 | H11 | 179.1° | 179.7° |
| C11 | C10 | C9 | C14 | 1.6° | 0.3° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.1° |
| C11 | C10 | C9 | H9 | 178.4° | 179.8° |
| C10 | C11 | C12 | H12 | 179.7° | 180.0° |
| C9 | C14 | F3 | C13 | 179.7° | 179.9° |
| C9 | C14 | C13 | C12 | 0.1° | 0.3° |
| C9 | C14 | C13 | F4 | 179.4° | 180.0° |
| F3 | C14 | C13 | C12 | 179.5° | 179.6° |
| F3 | C14 | C13 | F4 | 0.3° | 0.1° |
| F3 | C14 | C9 | H9 | 0.7° | 0.1° |
| C14 | C13 | C12 | C11 | 0.8° | 0.3° |
| C14 | C13 | C12 | F4 | 179.2° | 179.7° |
| C13 | C14 | C9 | H9 | 178.9° | 180.0° |
| C14 | C13 | C12 | H12 | 179.2° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | F4 | 180.0° | 179.9° |
| C13 | C12 | C11 | H11 | 179.7° | 179.9° |
| F4 | C13 | C12 | H12 | 0.0° | 0.0° |
| HN2 | N2 | C2 | H2 | 9.2° | 145.2° |
| H2 | C2 | C3 | H3 | 154.8° | 177.1° |
| H2 | C2 | C1 | H1 | 102.6° | 177.7° |
| H3 | C3 | O3 | HO3 | 31.0° | 59.8° |
| H3 | C3 | C4 | H4 | 175.8° | 177.1° |
| H4 | C4 | O4 | HO4 | 22.7° | 59.9° |
| H4 | C4 | C5 | H5 | 178.7° | 177.7° |
| H5 | C5 | C6 | H61 | 53.8° | 65.1° |
| H5 | C5 | C6 | H62 | 66.4° | 175.0° |
| H61 | C6 | O6 | HO6 | 60.5° | 60.0° |
| H62 | C6 | O6 | HO6 | 179.3° | 60.0° |
| H11 | C11 | C12 | H12 | 0.3° | 0.0° |
