WHD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C | sing | 1.35Å | 1.33Å | |
| C | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | N | sing | 1.47Å | 1.49Å | |
| N | C5 | sing | 1.47Å | 1.51Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.43Å | 1.43Å | |
| C10 | N1 | trip | 1.14Å | 1.14Å | |
| C11 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| C1 | H | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C | C1 | 120.6° | 120.0° |
| F | C | C14 | 117.3° | 120.0° |
| C | C1 | C2 | 118.6° | 120.0° |
| C1 | C | C14 | 122.1° | 120.0° |
| C | C1 | H | 120.7° | 120.0° |
| C1 | C2 | C3 | 120.5° | 120.0° |
| C2 | C1 | H | 120.7° | 120.0° |
| C1 | C2 | H1 | 119.7° | 120.0° |
| C2 | C3 | C4 | 121.5° | 119.9° |
| C2 | C3 | C13 | 119.4° | 120.0° |
| C3 | C2 | H1 | 119.7° | 120.0° |
| C3 | C4 | N | 113.1° | 109.5° |
| C4 | C3 | C13 | 119.2° | 120.0° |
| C3 | C4 | H3 | 108.6° | 109.4° |
| C3 | C4 | H2 | 108.6° | 109.4° |
| C4 | N | C5 | 109.9° | 111.0° |
| N | C4 | H3 | 108.5° | 109.5° |
| N | C4 | H2 | 108.6° | 109.5° |
| C4 | N | H4 | 109.4° | 111.0° |
| N | C5 | C6 | 112.0° | 109.5° |
| N | C5 | H6 | 108.8° | 109.5° |
| N | C5 | H5 | 108.8° | 109.5° |
| C5 | N | H4 | 109.4° | 111.0° |
| C5 | C6 | C7 | 119.1° | 119.9° |
| C5 | C6 | C12 | 121.1° | 119.8° |
| C6 | C5 | H6 | 108.8° | 109.5° |
| C6 | C5 | H5 | 108.8° | 109.4° |
| C6 | C7 | C8 | 121.1° | 120.1° |
| C7 | C6 | C12 | 119.8° | 120.3° |
| C6 | C7 | H7 | 119.4° | 119.9° |
| C7 | C8 | C9 | 118.6° | 119.9° |
| C8 | C7 | H7 | 119.4° | 119.9° |
| C7 | C8 | H8 | 120.7° | 120.0° |
| C8 | C9 | C10 | 122.0° | 120.2° |
| C8 | C9 | C11 | 121.2° | 119.7° |
| C9 | C8 | H8 | 120.7° | 120.1° |
| C9 | C10 | N1 | 175.6° | 180.0° |
| C10 | C9 | C11 | 116.8° | 120.2° |
| C9 | C11 | C12 | 120.1° | 119.9° |
| C9 | C11 | H9 | 120.0° | 120.0° |
| C11 | C12 | C6 | 119.2° | 120.1° |
| C12 | C11 | H9 | 120.0° | 120.1° |
| C11 | C12 | H10 | 120.4° | 120.0° |
| C6 | C12 | H10 | 120.4° | 119.9° |
| C3 | C13 | C14 | 120.0° | 120.1° |
| C3 | C13 | H11 | 120.0° | 119.9° |
| C13 | C14 | C | 119.3° | 119.9° |
| C14 | C13 | H11 | 120.0° | 120.0° |
| C13 | C14 | H12 | 120.3° | 120.1° |
| C | C14 | H12 | 120.3° | 120.0° |
| H3 | C4 | H2 | 109.5° | 109.5° |
| H6 | C5 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C | C1 | C14 | 177.3° | 179.7° |
| F | C | C1 | C2 | 176.1° | 180.0° |
| F | C | C14 | C13 | 174.9° | 179.7° |
| F | C | C1 | H | 3.9° | 0.3° |
| F | C | C14 | H12 | 5.2° | 0.3° |
| C | C1 | C2 | H | 180.0° | 179.7° |
| C | C1 | C2 | C3 | 0.9° | 0.6° |
| C1 | C | C14 | C13 | 2.5° | 0.1° |
| C1 | C | C14 | H12 | 177.4° | 180.0° |
| C | C1 | C2 | H1 | 179.1° | 179.9° |
| C1 | C2 | C3 | H1 | 180.0° | 179.4° |
| C1 | C2 | C3 | C4 | 179.3° | 179.5° |
| C1 | C2 | C3 | C13 | 1.5° | 0.6° |
| C2 | C1 | C | C14 | 1.2° | 0.3° |
| C2 | C3 | C4 | C13 | 179.2° | 179.9° |
| C2 | C3 | C4 | N | 67.6° | 90.0° |
| C2 | C3 | C13 | C14 | 0.2° | 0.3° |
| C2 | C3 | C4 | H3 | 171.9° | 150.0° |
| C2 | C3 | C4 | H2 | 53.0° | 30.1° |
| C2 | C3 | C13 | H11 | 179.8° | 180.0° |
| C3 | C2 | C1 | H | 179.1° | 179.7° |
| C3 | C4 | N | H3 | 120.5° | 120.0° |
| C3 | C4 | N | H2 | 120.5° | 120.0° |
| C3 | C4 | N | C5 | 178.1° | 180.0° |
| C4 | C3 | C13 | C14 | 179.4° | 179.7° |
| C3 | C4 | H3 | H2 | 118.4° | 119.9° |
| C4 | C3 | C13 | H11 | 0.6° | 0.1° |
| C3 | C4 | N | H4 | 61.9° | 56.0° |
| C4 | C3 | C2 | H1 | 0.7° | 0.1° |
| C4 | N | C5 | H4 | 120.1° | 124.0° |
| C4 | N | C5 | C6 | 172.8° | 180.0° |
| N | C4 | C3 | C13 | 113.2° | 89.9° |
| N | C4 | H3 | H2 | 118.4° | 120.1° |
| C4 | N | C5 | H6 | 66.8° | 60.0° |
| C4 | N | C5 | H5 | 52.4° | 60.1° |
| N | C5 | C6 | H6 | 120.4° | 120.0° |
| N | C5 | C6 | H5 | 120.4° | 120.0° |
| N | C5 | C6 | C7 | 151.2° | 90.0° |
| N | C5 | C6 | C12 | 28.7° | 90.3° |
| C5 | N | C4 | H3 | 57.5° | 60.0° |
| C5 | N | C4 | H2 | 61.4° | 60.0° |
| N | C5 | H6 | H5 | 118.8° | 120.0° |
| C5 | C6 | C7 | C12 | 179.9° | 179.7° |
| C5 | C6 | C7 | C8 | 179.7° | 180.0° |
| C5 | C6 | C12 | C11 | 179.6° | 180.0° |
| C6 | C5 | H6 | H5 | 118.8° | 120.0° |
| C5 | C6 | C7 | H7 | 0.3° | 0.0° |
| C6 | C5 | N | H4 | 52.7° | 56.0° |
| C5 | C6 | C12 | H10 | 0.4° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.0° | 0.1° |
| C7 | C6 | C12 | C11 | 0.5° | 0.3° |
| C7 | C6 | C5 | H6 | 88.4° | 150.0° |
| C7 | C6 | C5 | H5 | 30.8° | 30.0° |
| C6 | C7 | C8 | H8 | 179.1° | 179.9° |
| C7 | C6 | C12 | H10 | 179.5° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 178.8° | 180.0° |
| C7 | C8 | C9 | C11 | 0.9° | 0.2° |
| C8 | C7 | C6 | C12 | 0.3° | 0.3° |
| C8 | C9 | C10 | C11 | 179.7° | 179.8° |
| C8 | C9 | C10 | N1 | 178.0° | 118.6° |
| C8 | C9 | C11 | C12 | 0.1° | 0.2° |
| C9 | C8 | C7 | H7 | 179.1° | 179.9° |
| C8 | C9 | C11 | H9 | 179.9° | 180.0° |
| C10 | C9 | C11 | C12 | 179.5° | 180.0° |
| C10 | C9 | C8 | H8 | 1.2° | 0.0° |
| C10 | C9 | C11 | H9 | 0.5° | 0.1° |
| N1 | C10 | C9 | C11 | 2.3° | 61.2° |
| C9 | C11 | C12 | H9 | 180.0° | 179.8° |
| C9 | C11 | C12 | C6 | 0.6° | 0.0° |
| C11 | C9 | C8 | H8 | 179.2° | 179.8° |
| C9 | C11 | C12 | H10 | 179.4° | 180.0° |
| C11 | C12 | C6 | H10 | 180.0° | 180.0° |
| C12 | C6 | C5 | H6 | 91.6° | 29.7° |
| C12 | C6 | C5 | H5 | 149.1° | 149.7° |
| C12 | C6 | C7 | H7 | 179.8° | 179.7° |
| C6 | C12 | C11 | H9 | 179.4° | 179.8° |
| C3 | C13 | C14 | H11 | 180.0° | 179.6° |
| C3 | C13 | C14 | C | 1.8° | 0.1° |
| C13 | C3 | C4 | H3 | 7.3° | 30.1° |
| C13 | C3 | C4 | H2 | 126.2° | 150.0° |
| C3 | C13 | C14 | H12 | 178.2° | 180.0° |
| C13 | C3 | C2 | H1 | 178.5° | 180.0° |
| C13 | C14 | C | H12 | 180.0° | 179.9° |
| C | C14 | C13 | H11 | 178.2° | 179.7° |
| C14 | C | C1 | H | 178.8° | 180.0° |
| H3 | C4 | N | H4 | 177.6° | 63.9° |
| H2 | C4 | N | H4 | 58.7° | 176.0° |
| H6 | C5 | N | H4 | 173.1° | 64.0° |
| H5 | C5 | N | H4 | 67.7° | 176.0° |
| H7 | C7 | C8 | H8 | 0.9° | 0.0° |
| H11 | C13 | C14 | H12 | 1.8° | 0.4° |
| H | C1 | C2 | H1 | 0.9° | 0.3° |
| H9 | C11 | C12 | H10 | 0.6° | 0.2° |
