7W8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C6 | sing | 1.35Å | 1.36Å | |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.48Å | 1.50Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | N3 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.37Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| N3 | C15 | sing | 1.36Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.47Å | 1.44Å | Aromatic |
| C15 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | N2 | sing | 1.38Å | 1.35Å | |
| C13 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | N1 | trip | 1.14Å | 1.14Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | N4 | sing | 1.47Å | 15.73Å | |
| N4 | C18 | sing | 1.47Å | 0.00Å | |
| N4 | C19 | sing | 1.47Å | 0.00Å | |
| C18 | H3 | sing | 1.09Å | 0.00Å | |
| C18 | H13 | sing | 1.09Å | 0.00Å | |
| C18 | H14 | sing | 1.09Å | 0.00Å | |
| C19 | H15 | sing | 1.09Å | 0.00Å | |
| C19 | H16 | sing | 1.09Å | 0.00Å | |
| C19 | H17 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C6 | C5 | 117.3° | 120.1° |
| F | C6 | C7 | 119.5° | 120.1° |
| C6 | C5 | C4 | 118.7° | 120.1° |
| C5 | C6 | C7 | 123.2° | 119.8° |
| C6 | C5 | H5 | 120.6° | 119.9° |
| C5 | C4 | C3 | 121.1° | 120.3° |
| C5 | C4 | H4 | 119.5° | 119.9° |
| C4 | C5 | H5 | 120.7° | 119.9° |
| C6 | C7 | C9 | 124.6° | 120.1° |
| C6 | C7 | C8 | 116.1° | 119.7° |
| C4 | C3 | C8 | 118.4° | 120.2° |
| C4 | C3 | C2 | 120.9° | 119.9° |
| C3 | C4 | H4 | 119.5° | 119.8° |
| C9 | C7 | C8 | 119.3° | 120.1° |
| C7 | C9 | C17 | 120.8° | 119.8° |
| C7 | C9 | C10 | 120.3° | 119.8° |
| C7 | C8 | C3 | 122.4° | 119.9° |
| C7 | C8 | H7 | 118.8° | 120.0° |
| C9 | C17 | C16 | 119.1° | 119.7° |
| C17 | C9 | C10 | 118.8° | 120.4° |
| C9 | C17 | H12 | 120.4° | 120.1° |
| C17 | C16 | N3 | 130.5° | 132.8° |
| C17 | C16 | C12 | 121.6° | 119.4° |
| C16 | C17 | H12 | 120.5° | 120.1° |
| C9 | C10 | C11 | 121.8° | 120.3° |
| C9 | C10 | H11 | 119.1° | 119.9° |
| N3 | C16 | C12 | 107.9° | 107.9° |
| C16 | N3 | C15 | 108.8° | 110.4° |
| C16 | N3 | H10 | 125.6° | 124.8° |
| C16 | C12 | C11 | 118.7° | 120.3° |
| C16 | C12 | C13 | 106.8° | 106.2° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C10 | C11 | H6 | 120.0° | 120.0° |
| C11 | C10 | H11 | 119.1° | 119.9° |
| C8 | C3 | C2 | 120.6° | 119.9° |
| C3 | C8 | H7 | 118.8° | 120.1° |
| C3 | C2 | H1 | 120.5° | 109.5° |
| C3 | C2 | H2 | 120.5° | 109.5° |
| C3 | C2 | N4 | 56.9° | 109.5° |
| N3 | C15 | C13 | 108.9° | 109.3° |
| N3 | C15 | N2 | 124.8° | 125.4° |
| C15 | N3 | H10 | 125.6° | 124.7° |
| C11 | C12 | C13 | 134.6° | 133.5° |
| C12 | C11 | H6 | 120.0° | 120.0° |
| C12 | C13 | C15 | 107.6° | 106.3° |
| C12 | C13 | C14 | 124.9° | 126.8° |
| C13 | C15 | N2 | 126.4° | 125.4° |
| C15 | C13 | C14 | 127.3° | 126.9° |
| C15 | N2 | H8 | 109.5° | 120.0° |
| C15 | N2 | H9 | 109.5° | 120.0° |
| C13 | C14 | N1 | 175.7° | 179.9° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | N4 | 120.5° | 109.4° |
| H2 | C2 | N4 | 120.5° | 109.5° |
| H8 | N2 | H9 | 109.4° | 120.0° |
| C2 | N4 | C18 | 90.0° | 111.0° |
| C2 | N4 | C19 | 90.0° | 111.0° |
| C18 | N4 | C19 | 90.0° | 111.1° |
| N4 | C18 | H3 | 90.0° | 109.5° |
| N4 | C18 | H13 | 90.0° | 109.5° |
| N4 | C18 | H14 | 90.0° | 109.5° |
| N4 | C19 | H15 | 90.0° | 109.5° |
| N4 | C19 | H16 | 90.0° | 109.4° |
| N4 | C19 | H17 | 90.0° | 109.5° |
| H3 | C18 | H13 | 90.0° | 109.4° |
| H3 | C18 | H14 | 90.0° | 109.5° |
| H13 | C18 | H14 | 90.0° | 109.4° |
| H15 | C19 | H16 | 90.0° | 109.5° |
| H15 | C19 | H17 | 90.0° | 109.5° |
| H16 | C19 | H17 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C6 | C5 | C7 | 179.0° | 179.9° |
| F | C6 | C5 | C4 | 178.0° | 179.9° |
| F | C6 | C7 | C9 | 0.7° | 0.1° |
| F | C6 | C7 | C8 | 179.0° | 179.7° |
| F | C6 | C5 | H5 | 2.1° | 0.1° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C5 | C6 | C7 | C9 | 178.3° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.2° |
| C6 | C5 | C4 | H4 | 179.5° | 179.6° |
| C4 | C5 | C6 | C7 | 1.0° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.7° |
| C5 | C4 | C3 | C8 | 1.0° | 0.3° |
| C5 | C4 | C3 | C2 | 175.9° | 179.7° |
| C6 | C7 | C9 | C8 | 178.2° | 179.8° |
| C6 | C7 | C9 | C17 | 149.0° | 50.3° |
| C6 | C7 | C9 | C10 | 33.1° | 130.0° |
| C6 | C7 | C8 | C3 | 1.6° | 0.5° |
| C7 | C6 | C5 | H5 | 178.9° | 180.0° |
| C6 | C7 | C8 | H7 | 178.4° | 179.9° |
| C4 | C3 | C8 | C7 | 2.1° | 0.5° |
| C4 | C3 | C8 | C2 | 176.9° | 179.9° |
| C4 | C3 | C2 | H1 | 39.5° | 150.0° |
| C4 | C3 | C2 | H2 | 177.7° | 30.0° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C4 | C3 | C8 | H7 | 177.9° | 180.0° |
| C4 | C3 | C2 | N4 | 69.1° | 90.0° |
| C7 | C9 | C17 | C10 | 177.9° | 179.8° |
| C7 | C9 | C17 | C16 | 177.6° | 179.7° |
| C7 | C9 | C10 | C11 | 177.2° | 179.8° |
| C9 | C7 | C8 | C3 | 176.7° | 179.7° |
| C9 | C7 | C8 | H7 | 3.3° | 0.3° |
| C7 | C9 | C10 | H11 | 2.8° | 0.3° |
| C7 | C9 | C17 | H12 | 2.4° | 0.2° |
| C8 | C7 | C9 | C17 | 29.2° | 129.5° |
| C8 | C7 | C9 | C10 | 148.7° | 50.3° |
| C7 | C8 | C3 | H7 | 180.0° | 179.4° |
| C7 | C8 | C3 | C2 | 174.8° | 179.4° |
| C9 | C17 | C16 | H12 | 180.0° | 179.9° |
| C9 | C17 | C16 | N3 | 179.5° | 180.0° |
| C9 | C17 | C16 | C12 | 0.2° | 0.1° |
| C17 | C9 | C10 | C11 | 0.7° | 0.0° |
| C17 | C9 | C10 | H11 | 179.3° | 179.9° |
| C16 | C17 | C9 | C10 | 0.3° | 0.1° |
| C17 | C16 | N3 | C12 | 179.4° | 179.9° |
| C17 | C16 | N3 | C15 | 179.6° | 179.9° |
| C17 | C16 | C12 | C11 | 0.4° | 0.0° |
| C17 | C16 | C12 | C13 | 179.5° | 180.0° |
| C17 | C16 | N3 | H10 | 0.4° | 0.1° |
| C9 | C10 | C11 | H11 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.5° | 0.1° |
| C9 | C10 | C11 | H6 | 179.5° | 180.0° |
| C10 | C9 | C17 | H12 | 179.7° | 180.0° |
| C16 | N3 | C15 | H10 | 180.0° | 180.0° |
| N3 | C16 | C12 | C11 | 179.8° | 180.0° |
| N3 | C16 | C12 | C13 | 0.0° | 0.0° |
| C16 | N3 | C15 | C13 | 0.3° | 0.1° |
| C16 | N3 | C15 | N2 | 179.7° | 179.9° |
| N3 | C16 | C17 | H12 | 0.5° | 0.1° |
| C16 | C12 | C11 | C10 | 0.0° | 0.1° |
| C12 | C16 | N3 | C15 | 0.2° | 0.0° |
| C16 | C12 | C11 | C13 | 179.8° | 179.9° |
| C16 | C12 | C13 | C15 | 0.1° | 0.0° |
| C16 | C12 | C13 | C14 | 175.2° | 180.0° |
| C16 | C12 | C11 | H6 | 180.0° | 180.0° |
| C12 | C16 | N3 | H10 | 179.8° | 180.0° |
| C12 | C16 | C17 | H12 | 179.8° | 180.0° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.8° | 180.0° |
| C8 | C3 | C2 | H1 | 137.3° | 30.0° |
| C8 | C3 | C2 | H2 | 5.5° | 150.0° |
| C8 | C3 | C4 | H4 | 179.0° | 179.9° |
| C8 | C3 | C2 | N4 | 114.1° | 90.0° |
| C3 | C2 | H1 | H2 | 146.5° | 120.0° |
| C3 | C2 | H1 | N4 | 67.1° | 120.0° |
| C3 | C2 | H2 | N4 | 67.1° | 120.0° |
| C2 | C3 | C4 | H4 | 4.1° | 0.0° |
| C2 | C3 | C8 | H7 | 5.2° | 0.0° |
| C3 | C2 | N4 | C18 | 90.0° | 66.0° |
| C3 | C2 | N4 | C19 | 90.0° | 170.0° |
| N3 | C15 | C13 | C12 | 0.2° | 0.0° |
| N3 | C15 | C13 | N2 | 179.4° | 179.9° |
| N3 | C15 | C13 | C14 | 175.1° | 180.0° |
| N3 | C15 | N2 | H8 | 180.0° | 179.9° |
| N3 | C15 | N2 | H9 | 60.0° | 0.2° |
| C11 | C12 | C13 | C15 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 5.1° | 0.0° |
| C12 | C11 | C10 | H11 | 179.5° | 180.0° |
| C12 | C13 | C15 | C14 | 174.9° | 179.9° |
| C12 | C13 | C15 | N2 | 179.7° | 179.9° |
| C12 | C13 | C14 | N1 | 10.6° | 163.3° |
| C13 | C12 | C11 | H6 | 0.2° | 0.0° |
| C15 | C13 | C14 | N1 | 175.4° | 16.6° |
| C13 | C15 | N2 | H8 | 0.6° | 0.1° |
| C13 | C15 | N2 | H9 | 119.3° | 180.0° |
| C13 | C15 | N3 | H10 | 179.7° | 180.0° |
| N2 | C15 | C13 | C14 | 5.5° | 0.2° |
| C15 | N2 | H8 | H9 | 120.0° | 179.9° |
| N2 | C15 | N3 | H10 | 0.3° | 0.1° |
| H1 | C2 | H2 | N4 | 146.4° | 120.0° |
| H1 | C2 | N4 | C18 | 90.0° | 54.0° |
| H1 | C2 | N4 | C19 | 90.0° | 70.0° |
| H2 | C2 | N4 | C18 | 90.0° | 174.0° |
| H2 | C2 | N4 | C19 | 90.0° | 50.0° |
| H4 | C4 | C5 | H5 | 0.6° | 0.3° |
| H6 | C11 | C10 | H11 | 0.5° | 0.0° |
| C2 | N4 | C18 | C19 | 90.0° | 124.0° |
| C2 | N4 | C18 | H3 | 90.0° | 60.0° |
| C2 | N4 | C18 | H13 | 90.0° | 180.0° |
| C2 | N4 | C18 | H14 | 90.0° | 60.0° |
| C2 | N4 | C19 | H15 | 90.0° | 60.0° |
| C2 | N4 | C19 | H16 | 90.0° | 180.0° |
| C2 | N4 | C19 | H17 | 90.0° | 60.1° |
| N4 | C18 | H3 | H13 | 90.0° | 120.0° |
| N4 | C18 | H3 | H14 | 90.0° | 120.1° |
| N4 | C18 | H13 | H14 | 90.0° | 120.1° |
| C18 | N4 | C19 | H15 | 90.0° | 176.0° |
| C18 | N4 | C19 | H16 | 90.0° | 56.0° |
| C18 | N4 | C19 | H17 | 90.0° | 63.9° |
| C19 | N4 | C18 | H3 | 90.0° | 63.9° |
| C19 | N4 | C18 | H13 | 90.0° | 56.0° |
| C19 | N4 | C18 | H14 | 90.0° | 176.0° |
| N4 | C19 | H15 | H16 | 90.0° | 120.0° |
| N4 | C19 | H15 | H17 | 90.0° | 120.0° |
| N4 | C19 | H16 | H17 | 90.0° | 120.0° |
| H3 | C18 | H13 | H14 | 90.0° | 119.9° |
| H15 | C19 | H16 | H17 | 90.0° | 120.0° |
