8F3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C2 | sing | 1.36Å | 1.37Å | |
| O5 | C3 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.50Å | 1.54Å | |
| C5 | C9 | sing | 1.51Å | 1.50Å | |
| C7 | N1 | sing | 1.47Å | 1.49Å | |
| C7 | C18 | sing | 1.51Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| O3 | C16 | doub | 1.21Å | 1.22Å | |
| N1 | C16 | sing | 1.35Å | 1.34Å | |
| N1 | C8 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C13 | sing | 1.48Å | 1.50Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | S1 | sing | 1.76Å | 1.78Å | |
| N2 | S1 | sing | 1.66Å | 1.60Å | |
| O1 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| O5 | H12 | sing | 0.97Å | 0.95Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C2 | C3 | 117.7° | 120.2° |
| O4 | C2 | C1 | 122.1° | 120.2° |
| C2 | O4 | H13 | 109.5° | 114.0° |
| O5 | C3 | C2 | 117.7° | 120.2° |
| O5 | C3 | C4 | 123.3° | 120.1° |
| C3 | O5 | H12 | 109.5° | 114.0° |
| C3 | C2 | C1 | 119.9° | 119.6° |
| C2 | C3 | C4 | 118.8° | 119.7° |
| C2 | C1 | C6 | 120.6° | 120.5° |
| C2 | C1 | H14 | 119.7° | 119.8° |
| C3 | C4 | C5 | 122.1° | 120.6° |
| C3 | C4 | H11 | 118.9° | 119.7° |
| C1 | C6 | C5 | 120.4° | 120.0° |
| C1 | C6 | C7 | 116.0° | 117.7° |
| C6 | C1 | H14 | 119.7° | 119.7° |
| C4 | C5 | C6 | 118.2° | 119.6° |
| C4 | C5 | C9 | 120.5° | 117.6° |
| C5 | C4 | H11 | 119.0° | 119.6° |
| C5 | C6 | C7 | 123.5° | 122.3° |
| C6 | C5 | C9 | 121.2° | 122.9° |
| C6 | C7 | N1 | 107.2° | 109.9° |
| C6 | C7 | C18 | 113.3° | 109.4° |
| C6 | C7 | H15 | 109.3° | 109.5° |
| C5 | C9 | C8 | 112.8° | 110.8° |
| C5 | C9 | H9 | 108.6° | 109.2° |
| C5 | C9 | H10 | 108.6° | 109.1° |
| N1 | C7 | C18 | 107.4° | 109.2° |
| C7 | N1 | C16 | 118.0° | 121.4° |
| C7 | N1 | C8 | 114.9° | 117.3° |
| N1 | C7 | H15 | 110.1° | 109.5° |
| C7 | C18 | C17 | 120.3° | 120.0° |
| C7 | C18 | C19 | 121.6° | 120.0° |
| C18 | C7 | H15 | 109.4° | 109.4° |
| C9 | C8 | N1 | 109.8° | 107.9° |
| C9 | C8 | H7 | 109.4° | 109.8° |
| C9 | C8 | H8 | 109.4° | 109.8° |
| C8 | C9 | H9 | 108.6° | 109.2° |
| C8 | C9 | H10 | 108.6° | 109.2° |
| C18 | C17 | C22 | 120.7° | 120.0° |
| C17 | C18 | C19 | 118.0° | 120.0° |
| C18 | C17 | H16 | 119.7° | 120.0° |
| C17 | C22 | C21 | 120.5° | 120.0° |
| C22 | C17 | H16 | 119.7° | 120.0° |
| C17 | C22 | H17 | 119.8° | 120.0° |
| O3 | C16 | N1 | 127.1° | 120.0° |
| O3 | C16 | C13 | 109.3° | 120.0° |
| C16 | N1 | C8 | 127.1° | 121.3° |
| N1 | C16 | C13 | 123.6° | 119.9° |
| N1 | C8 | H7 | 109.4° | 109.8° |
| N1 | C8 | H8 | 109.4° | 109.7° |
| C18 | C19 | C20 | 120.8° | 120.0° |
| C18 | C19 | H20 | 119.6° | 120.0° |
| C16 | C13 | C12 | 118.3° | 120.1° |
| C16 | C13 | C14 | 120.9° | 120.2° |
| C22 | C21 | C20 | 119.8° | 120.0° |
| C21 | C22 | H17 | 119.8° | 120.0° |
| C22 | C21 | H18 | 120.1° | 120.1° |
| C13 | C12 | C11 | 119.9° | 119.9° |
| C12 | C13 | C14 | 120.8° | 119.7° |
| C13 | C12 | H1 | 120.0° | 120.1° |
| C12 | C11 | C10 | 118.8° | 120.1° |
| C11 | C12 | H1 | 120.1° | 120.1° |
| C12 | C11 | H2 | 120.6° | 119.9° |
| C13 | C14 | C15 | 119.6° | 119.9° |
| C13 | C14 | H6 | 120.2° | 120.1° |
| C19 | C20 | C21 | 120.3° | 120.0° |
| C19 | C20 | H19 | 119.8° | 120.0° |
| C20 | C19 | H20 | 119.6° | 120.0° |
| C11 | C10 | C15 | 121.5° | 120.3° |
| C11 | C10 | S1 | 120.6° | 119.9° |
| C10 | C11 | H2 | 120.6° | 119.9° |
| C20 | C21 | H18 | 120.1° | 120.0° |
| C21 | C20 | H19 | 119.9° | 120.0° |
| C14 | C15 | C10 | 119.2° | 120.1° |
| C14 | C15 | H5 | 120.4° | 120.0° |
| C15 | C14 | H6 | 120.2° | 120.0° |
| C15 | C10 | S1 | 117.8° | 119.8° |
| C10 | C15 | H5 | 120.4° | 119.9° |
| C10 | S1 | N2 | 107.6° | 107.2° |
| C10 | S1 | O1 | 105.6° | 106.4° |
| C10 | S1 | O2 | 108.7° | 106.4° |
| N2 | S1 | O1 | 107.2° | 106.4° |
| N2 | S1 | O2 | 109.8° | 106.4° |
| S1 | N2 | H3 | 109.5° | 120.0° |
| S1 | N2 | H4 | 109.5° | 120.0° |
| O1 | S1 | O2 | 117.4° | 123.2° |
| H3 | N2 | H4 | 109.5° | 120.0° |
| H7 | C8 | H8 | 109.5° | 109.7° |
| H9 | C9 | H10 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C2 | C3 | O5 | 2.9° | 0.2° |
| O4 | C2 | C3 | C1 | 173.6° | 179.9° |
| O4 | C2 | C3 | C4 | 172.7° | 179.8° |
| O4 | C2 | C1 | C6 | 173.0° | 180.0° |
| O4 | C2 | C1 | H14 | 7.0° | 0.1° |
| O5 | C3 | C2 | C4 | 175.6° | 179.9° |
| O5 | C3 | C2 | C1 | 176.5° | 179.8° |
| O5 | C3 | C4 | C5 | 175.2° | 180.0° |
| O5 | C3 | C4 | H11 | 4.9° | 0.0° |
| C3 | C2 | C1 | C6 | 0.3° | 0.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C2 | C3 | C4 | H11 | 179.8° | 179.9° |
| C2 | C3 | O5 | H12 | 180.0° | 90.0° |
| C3 | C2 | O4 | H13 | 180.0° | 90.0° |
| C3 | C2 | C1 | H14 | 179.7° | 180.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.3° |
| C2 | C1 | C6 | H14 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 1.2° | 0.4° |
| C2 | C1 | C6 | C7 | 176.3° | 179.1° |
| C1 | C2 | O4 | H13 | 6.6° | 90.0° |
| C3 | C4 | C5 | H11 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.7° | 0.3° |
| C3 | C4 | C5 | C9 | 174.0° | 179.5° |
| C4 | C3 | O5 | H12 | 4.6° | 90.0° |
| C1 | C6 | C5 | C4 | 2.2° | 0.6° |
| C1 | C6 | C5 | C7 | 174.7° | 179.5° |
| C1 | C6 | C5 | C9 | 173.5° | 179.3° |
| C1 | C6 | C7 | N1 | 156.2° | 169.3° |
| C1 | C6 | C7 | C18 | 85.4° | 70.8° |
| C1 | C6 | C7 | H15 | 36.9° | 49.1° |
| C4 | C5 | C6 | C9 | 175.7° | 179.9° |
| C4 | C5 | C6 | C7 | 176.9° | 178.9° |
| C4 | C5 | C9 | C8 | 171.4° | 159.9° |
| C4 | C5 | C9 | H9 | 68.1° | 39.5° |
| C4 | C5 | C9 | H10 | 50.9° | 79.7° |
| C5 | C6 | C7 | N1 | 18.8° | 11.1° |
| C5 | C6 | C7 | C18 | 99.6° | 108.7° |
| C6 | C5 | C9 | C8 | 13.0° | 20.2° |
| C6 | C5 | C9 | H9 | 107.5° | 140.6° |
| C6 | C5 | C9 | H10 | 133.5° | 100.1° |
| C6 | C5 | C4 | H11 | 178.3° | 179.6° |
| C5 | C6 | C1 | H14 | 178.8° | 179.5° |
| C5 | C6 | C7 | H15 | 138.1° | 131.4° |
| C7 | C6 | C5 | C9 | 1.2° | 1.2° |
| C6 | C7 | N1 | C18 | 122.1° | 120.0° |
| C6 | C7 | N1 | H15 | 118.8° | 120.3° |
| C6 | C7 | C18 | H15 | 122.3° | 120.0° |
| C6 | C7 | C18 | C17 | 11.5° | 70.9° |
| C6 | C7 | N1 | C16 | 127.0° | 135.7° |
| C6 | C7 | N1 | C8 | 51.5° | 44.0° |
| C6 | C7 | C18 | C19 | 164.3° | 109.3° |
| C7 | C6 | C1 | H14 | 3.7° | 0.9° |
| C5 | C9 | C8 | H9 | 120.5° | 120.3° |
| C5 | C9 | C8 | H10 | 120.5° | 120.3° |
| C5 | C9 | C8 | N1 | 42.7° | 47.5° |
| C5 | C9 | C8 | H7 | 162.7° | 72.1° |
| C5 | C9 | C8 | H8 | 77.4° | 167.1° |
| C5 | C9 | H9 | H10 | 118.5° | 119.2° |
| C9 | C5 | C4 | H11 | 6.0° | 0.5° |
| N1 | C7 | C18 | H15 | 119.4° | 119.7° |
| C7 | N1 | C8 | C9 | 66.1° | 64.0° |
| N1 | C7 | C18 | C17 | 129.8° | 168.8° |
| C7 | N1 | C16 | O3 | 2.9° | 175.5° |
| C7 | N1 | C16 | C8 | 178.3° | 179.7° |
| N1 | C7 | C18 | C19 | 46.0° | 11.0° |
| C7 | N1 | C16 | C13 | 179.7° | 4.5° |
| C7 | N1 | C8 | H7 | 173.8° | 55.7° |
| C7 | N1 | C8 | H8 | 53.9° | 176.4° |
| C7 | C18 | C17 | C19 | 176.0° | 179.8° |
| C7 | C18 | C17 | C22 | 177.4° | 180.0° |
| C18 | C7 | N1 | C16 | 110.9° | 104.3° |
| C18 | C7 | N1 | C8 | 70.6° | 76.0° |
| C7 | C18 | C19 | C20 | 178.0° | 179.8° |
| C7 | C18 | C17 | H16 | 2.6° | 0.0° |
| C7 | C18 | C19 | H20 | 2.0° | 0.0° |
| C9 | C8 | N1 | C16 | 112.2° | 115.7° |
| C9 | C8 | N1 | H7 | 120.0° | 119.7° |
| C9 | C8 | N1 | H8 | 120.0° | 119.6° |
| C9 | C8 | H7 | H8 | 119.8° | 120.8° |
| C8 | C9 | H9 | H10 | 118.4° | 119.4° |
| C18 | C17 | C22 | H16 | 180.0° | 180.0° |
| C18 | C17 | C22 | C21 | 0.2° | 0.0° |
| C17 | C18 | C19 | C20 | 2.1° | 0.5° |
| C17 | C18 | C7 | H15 | 110.8° | 49.1° |
| C18 | C17 | C22 | H17 | 179.8° | 179.9° |
| C17 | C18 | C19 | H20 | 177.9° | 179.7° |
| C22 | C17 | C18 | C19 | 1.5° | 0.3° |
| C17 | C22 | C21 | H17 | 180.0° | 179.9° |
| C17 | C22 | C21 | C20 | 1.4° | 0.1° |
| C17 | C22 | C21 | H18 | 178.7° | 180.0° |
| O3 | C16 | N1 | C13 | 177.4° | 180.0° |
| O3 | C16 | N1 | C8 | 178.8° | 4.8° |
| O3 | C16 | C13 | C12 | 135.8° | 44.6° |
| O3 | C16 | C13 | C14 | 45.5° | 135.4° |
| N1 | C16 | C13 | C12 | 46.4° | 135.4° |
| N1 | C16 | C13 | C14 | 132.3° | 44.6° |
| C16 | N1 | C8 | H7 | 7.8° | 124.6° |
| C16 | N1 | C8 | H8 | 127.8° | 4.0° |
| C16 | N1 | C7 | H15 | 8.1° | 15.4° |
| C8 | N1 | C16 | C13 | 1.4° | 175.2° |
| N1 | C8 | H7 | H8 | 119.9° | 120.7° |
| N1 | C8 | C9 | H9 | 77.8° | 167.9° |
| N1 | C8 | C9 | H10 | 163.2° | 72.7° |
| C8 | N1 | C7 | H15 | 170.3° | 164.3° |
| C18 | C19 | C20 | H20 | 180.0° | 179.8° |
| C18 | C19 | C20 | C21 | 1.0° | 0.4° |
| C19 | C18 | C7 | H15 | 73.4° | 130.7° |
| C19 | C18 | C17 | H16 | 178.5° | 179.7° |
| C18 | C19 | C20 | H19 | 179.0° | 179.7° |
| C16 | C13 | C12 | C14 | 178.7° | 180.0° |
| C16 | C13 | C12 | C11 | 174.8° | 179.9° |
| C16 | C13 | C14 | C15 | 173.5° | 180.0° |
| C16 | C13 | C12 | H1 | 5.1° | 0.3° |
| C16 | C13 | C14 | H6 | 6.6° | 0.0° |
| C22 | C21 | C20 | C19 | 0.8° | 0.1° |
| C22 | C21 | C20 | H18 | 180.0° | 180.0° |
| C21 | C22 | C17 | H16 | 179.8° | 180.0° |
| C22 | C21 | C20 | H19 | 179.2° | 180.0° |
| C13 | C12 | C11 | H1 | 180.0° | 179.7° |
| C13 | C12 | C11 | C10 | 0.2° | 0.1° |
| C12 | C13 | C14 | C15 | 5.2° | 0.0° |
| C13 | C12 | C11 | H2 | 179.8° | 180.0° |
| C12 | C13 | C14 | H6 | 174.7° | 180.0° |
| C11 | C12 | C13 | C14 | 3.9° | 0.1° |
| C12 | C11 | C10 | H2 | 180.0° | 179.9° |
| C12 | C11 | C10 | C15 | 3.0° | 0.1° |
| C12 | C11 | C10 | S1 | 175.6° | 179.9° |
| C13 | C14 | C15 | H6 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 2.4° | 0.0° |
| C14 | C13 | C12 | H1 | 176.1° | 179.7° |
| C13 | C14 | C15 | H5 | 177.6° | 180.0° |
| C19 | C20 | C21 | H19 | 180.0° | 179.9° |
| C19 | C20 | C21 | H18 | 179.3° | 179.9° |
| C11 | C10 | C15 | C14 | 1.7° | 0.1° |
| C11 | C10 | C15 | S1 | 178.6° | 179.9° |
| C11 | C10 | S1 | N2 | 9.2° | 89.9° |
| C11 | C10 | S1 | O1 | 123.4° | 156.5° |
| C11 | C10 | S1 | O2 | 109.7° | 23.6° |
| C10 | C11 | C12 | H1 | 179.8° | 179.8° |
| C11 | C10 | C15 | H5 | 178.3° | 180.0° |
| C20 | C21 | C22 | H17 | 178.6° | 180.0° |
| C21 | C20 | C19 | H20 | 179.0° | 179.8° |
| C14 | C15 | C10 | H5 | 180.0° | 180.0° |
| C14 | C15 | C10 | S1 | 176.9° | 180.0° |
| C15 | C10 | S1 | N2 | 172.2° | 90.0° |
| C15 | C10 | S1 | O1 | 57.9° | 23.5° |
| C15 | C10 | S1 | O2 | 68.9° | 156.5° |
| C15 | C10 | C11 | H2 | 177.0° | 180.0° |
| C10 | C15 | C14 | H6 | 177.5° | 180.0° |
| C10 | S1 | N2 | O1 | 113.2° | 113.6° |
| C10 | S1 | N2 | O2 | 118.2° | 113.5° |
| C10 | S1 | O1 | O2 | 121.4° | 123.0° |
| S1 | C10 | C11 | H2 | 4.4° | 0.0° |
| C10 | S1 | N2 | H3 | 180.0° | 150.0° |
| C10 | S1 | N2 | H4 | 60.0° | 30.0° |
| S1 | C10 | C15 | H5 | 3.1° | 0.0° |
| N2 | S1 | O1 | O2 | 124.1° | 122.9° |
| S1 | N2 | H3 | H4 | 120.0° | 179.9° |
| O1 | S1 | N2 | H3 | 66.8° | 36.4° |
| O1 | S1 | N2 | H4 | 53.2° | 143.5° |
| O2 | S1 | N2 | H3 | 61.8° | 96.5° |
| O2 | S1 | N2 | H4 | 178.2° | 83.6° |
| H1 | C12 | C11 | H2 | 0.3° | 0.3° |
| H5 | C15 | C14 | H6 | 2.5° | 0.0° |
| H7 | C8 | C9 | H9 | 42.2° | 48.3° |
| H7 | C8 | C9 | H10 | 76.8° | 167.6° |
| H8 | C8 | C9 | H9 | 162.1° | 72.5° |
| H8 | C8 | C9 | H10 | 43.1° | 46.9° |
| H16 | C17 | C22 | H17 | 0.2° | 0.1° |
| H17 | C22 | C21 | H18 | 1.3° | 0.0° |
| H18 | C21 | C20 | H19 | 0.7° | 0.0° |
| H19 | C20 | C19 | H20 | 1.0° | 0.1° |
