8F2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C3 | sing | 1.36Å | 1.37Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C5 | sing | 1.51Å | 1.50Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | O4 | sing | 1.36Å | 1.37Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| N1 | C16 | sing | 1.35Å | 1.34Å | |
| N1 | C7 | sing | 1.47Å | 1.48Å | |
| O3 | C16 | doub | 1.22Å | 1.22Å | |
| C16 | C13 | sing | 1.48Å | 1.50Å | |
| C7 | C18 | sing | 1.51Å | 1.53Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | S1 | sing | 1.76Å | 1.79Å | |
| 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) |
| O5 | C3 | C4 | 123.6° | 120.2° |
| O5 | C3 | C2 | 117.5° | 120.2° |
| C3 | O5 | H12 | 109.5° | 114.0° |
| C3 | C4 | C5 | 122.0° | 120.6° |
| C4 | C3 | C2 | 118.8° | 119.7° |
| C3 | C4 | H11 | 119.0° | 119.7° |
| C4 | C5 | C9 | 121.0° | 117.5° |
| C4 | C5 | C6 | 118.7° | 119.7° |
| C5 | C4 | H11 | 119.0° | 119.7° |
| C3 | C2 | O4 | 116.5° | 120.2° |
| C3 | C2 | C1 | 119.8° | 119.6° |
| C5 | C9 | C8 | 111.5° | 110.9° |
| C9 | C5 | C6 | 120.2° | 122.8° |
| C5 | C9 | H9 | 109.0° | 109.2° |
| C5 | C9 | H10 | 108.9° | 109.2° |
| C9 | C8 | N1 | 108.9° | 107.9° |
| C9 | C8 | H7 | 109.6° | 109.7° |
| C9 | C8 | H8 | 109.6° | 109.8° |
| C8 | C9 | H9 | 108.9° | 109.2° |
| C8 | C9 | H10 | 108.9° | 109.2° |
| C5 | C6 | C1 | 119.9° | 120.0° |
| C5 | C6 | C7 | 122.6° | 122.3° |
| C8 | N1 | C16 | 124.1° | 121.3° |
| C8 | N1 | C7 | 114.1° | 117.4° |
| N1 | C8 | H7 | 109.7° | 109.8° |
| N1 | C8 | H8 | 109.6° | 109.8° |
| O4 | C2 | C1 | 123.5° | 120.2° |
| C2 | O4 | H13 | 109.5° | 113.9° |
| C2 | C1 | C6 | 120.8° | 120.5° |
| C2 | C1 | H14 | 119.6° | 119.7° |
| C1 | C6 | C7 | 117.4° | 117.7° |
| C6 | C1 | H14 | 119.6° | 119.8° |
| C6 | C7 | N1 | 110.3° | 109.9° |
| C6 | C7 | C18 | 111.1° | 109.4° |
| C6 | C7 | H15 | 109.0° | 109.2° |
| C16 | N1 | C7 | 120.7° | 121.3° |
| N1 | C16 | O3 | 126.7° | 119.9° |
| N1 | C16 | C13 | 124.3° | 120.0° |
| N1 | C7 | C18 | 107.6° | 109.4° |
| N1 | C7 | H15 | 109.7° | 109.5° |
| O3 | C16 | C13 | 108.8° | 120.0° |
| C16 | C13 | C12 | 119.0° | 120.1° |
| C16 | C13 | C14 | 121.6° | 120.1° |
| C7 | C18 | C19 | 122.7° | 120.0° |
| C7 | C18 | C17 | 119.7° | 120.0° |
| C18 | C7 | H15 | 109.1° | 109.4° |
| C18 | C19 | C20 | 121.0° | 120.0° |
| C19 | C18 | C17 | 117.6° | 120.0° |
| C18 | C19 | H20 | 119.5° | 120.0° |
| C19 | C20 | C21 | 120.6° | 120.0° |
| C19 | C20 | H19 | 119.7° | 120.0° |
| C20 | C19 | H20 | 119.5° | 120.0° |
| C13 | C12 | C11 | 121.1° | 119.8° |
| C12 | C13 | C14 | 119.4° | 119.7° |
| C13 | C12 | H1 | 119.5° | 120.1° |
| C12 | C11 | C10 | 118.8° | 120.1° |
| C11 | C12 | H1 | 119.5° | 120.0° |
| C12 | C11 | H2 | 120.6° | 119.9° |
| C18 | C17 | C22 | 121.1° | 120.0° |
| C18 | C17 | H16 | 119.5° | 120.0° |
| C20 | C21 | C22 | 119.3° | 120.0° |
| C20 | C21 | H18 | 120.3° | 120.0° |
| C21 | C20 | H19 | 119.7° | 120.0° |
| C13 | C14 | C15 | 120.3° | 119.9° |
| C13 | C14 | H6 | 119.8° | 120.0° |
| C11 | C10 | C15 | 120.7° | 120.3° |
| C11 | C10 | S1 | 121.8° | 119.8° |
| C10 | C11 | H2 | 120.6° | 120.0° |
| C14 | C15 | C10 | 119.7° | 120.1° |
| C14 | C15 | H5 | 120.1° | 119.9° |
| C15 | C14 | H6 | 119.8° | 120.1° |
| C17 | C22 | C21 | 120.5° | 120.0° |
| C22 | C17 | H16 | 119.5° | 120.0° |
| C17 | C22 | H17 | 119.8° | 120.0° |
| C21 | C22 | H17 | 119.8° | 120.0° |
| C22 | C21 | H18 | 120.3° | 120.0° |
| C15 | C10 | S1 | 117.1° | 119.8° |
| C10 | C15 | H5 | 120.1° | 119.9° |
| C10 | S1 | N2 | 109.1° | 107.2° |
| C10 | S1 | O1 | 104.8° | 106.4° |
| C10 | S1 | O2 | 108.6° | 106.4° |
| N2 | S1 | O1 | 107.3° | 106.4° |
| N2 | S1 | O2 | 108.8° | 106.4° |
| S1 | N2 | H3 | 109.5° | 120.0° |
| S1 | N2 | H4 | 109.4° | 120.0° |
| O1 | S1 | O2 | 117.9° | 123.2° |
| H3 | N2 | H4 | 109.5° | 120.0° |
| H7 | C8 | H8 | 109.5° | 109.8° |
| H9 | C9 | H10 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C3 | C4 | C2 | 178.5° | 180.0° |
| O5 | C3 | C4 | C5 | 178.1° | 180.0° |
| O5 | C3 | C2 | O4 | 3.6° | 0.2° |
| O5 | C3 | C2 | C1 | 178.7° | 179.8° |
| O5 | C3 | C4 | H11 | 1.9° | 0.1° |
| C3 | C4 | C5 | H11 | 180.0° | 180.0° |
| C3 | C4 | C5 | C9 | 177.5° | 179.5° |
| C3 | C4 | C5 | C6 | 0.2° | 0.4° |
| C4 | C3 | C2 | O4 | 175.0° | 179.8° |
| C4 | C3 | C2 | C1 | 0.1° | 0.3° |
| C4 | C3 | O5 | H12 | 180.0° | 90.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.1° |
| C4 | C5 | C9 | C6 | 177.3° | 179.9° |
| C4 | C5 | C9 | C8 | 157.0° | 159.9° |
| C4 | C5 | C6 | C1 | 0.7° | 0.6° |
| C4 | C5 | C6 | C7 | 175.7° | 178.8° |
| C4 | C5 | C9 | H9 | 36.7° | 39.5° |
| C4 | C5 | C9 | H10 | 82.7° | 79.8° |
| C3 | C2 | O4 | C1 | 174.9° | 179.9° |
| C3 | C2 | C1 | C6 | 0.9° | 0.0° |
| C2 | C3 | C4 | H11 | 179.6° | 179.9° |
| C2 | C3 | O5 | H12 | 1.5° | 90.0° |
| C3 | C2 | O4 | H13 | 180.0° | 90.0° |
| C3 | C2 | C1 | H14 | 179.1° | 180.0° |
| C5 | C9 | C8 | H9 | 120.3° | 120.3° |
| C5 | C9 | C8 | H10 | 120.3° | 120.3° |
| C5 | C9 | C8 | N1 | 53.1° | 47.5° |
| C9 | C5 | C6 | C1 | 176.7° | 179.3° |
| C9 | C5 | C6 | C7 | 6.9° | 1.3° |
| C5 | C9 | C8 | H7 | 66.9° | 72.0° |
| C5 | C9 | C8 | H8 | 173.0° | 167.2° |
| C5 | C9 | H9 | H10 | 119.1° | 119.3° |
| C9 | C5 | C4 | H11 | 2.5° | 0.5° |
| C8 | C9 | C5 | C6 | 25.7° | 20.2° |
| C9 | C8 | N1 | H7 | 119.9° | 119.6° |
| C9 | C8 | N1 | H8 | 119.9° | 119.7° |
| C9 | C8 | N1 | C16 | 102.5° | 115.7° |
| C9 | C8 | N1 | C7 | 65.8° | 64.0° |
| C9 | C8 | H7 | H8 | 120.3° | 120.8° |
| C8 | C9 | H9 | H10 | 119.1° | 119.3° |
| C5 | C6 | C1 | C2 | 1.2° | 0.5° |
| C5 | C6 | C1 | C7 | 176.5° | 179.5° |
| C5 | C6 | C7 | N1 | 15.2° | 11.2° |
| C5 | C6 | C7 | C18 | 104.0° | 131.4° |
| C6 | C5 | C9 | H9 | 146.0° | 140.6° |
| C6 | C5 | C9 | H10 | 94.6° | 100.1° |
| C6 | C5 | C4 | H11 | 179.9° | 179.7° |
| C5 | C6 | C1 | H14 | 178.8° | 179.5° |
| C5 | C6 | C7 | H15 | 135.7° | 108.9° |
| C8 | N1 | C7 | C6 | 44.9° | 44.1° |
| C8 | N1 | C16 | C7 | 167.5° | 179.7° |
| C8 | N1 | C16 | O3 | 17.5° | 179.5° |
| C8 | N1 | C16 | C13 | 167.4° | 0.5° |
| C8 | N1 | C7 | C18 | 76.5° | 164.2° |
| N1 | C8 | H7 | H8 | 120.3° | 120.8° |
| N1 | C8 | C9 | H9 | 173.4° | 167.9° |
| N1 | C8 | C9 | H10 | 67.2° | 72.8° |
| C8 | N1 | C7 | H15 | 164.9° | 75.9° |
| O4 | C2 | C1 | C6 | 173.8° | 180.0° |
| O4 | C2 | C1 | H14 | 6.2° | 0.1° |
| C2 | C1 | C6 | H14 | 180.0° | 180.0° |
| C2 | C1 | C6 | C7 | 175.3° | 179.0° |
| C1 | C2 | O4 | H13 | 5.2° | 90.0° |
| C1 | C6 | C7 | N1 | 168.4° | 169.3° |
| C1 | C6 | C7 | C18 | 72.4° | 49.2° |
| C1 | C6 | C7 | H15 | 47.9° | 70.6° |
| C6 | C7 | N1 | C16 | 123.8° | 135.7° |
| C6 | C7 | N1 | C18 | 121.3° | 120.1° |
| C6 | C7 | N1 | H15 | 120.1° | 119.9° |
| C6 | C7 | C18 | H15 | 120.2° | 119.6° |
| C6 | C7 | C18 | C19 | 24.5° | 57.0° |
| C6 | C7 | C18 | C17 | 158.4° | 122.8° |
| C7 | C6 | C1 | H14 | 4.7° | 1.0° |
| N1 | C16 | O3 | C13 | 175.7° | 179.9° |
| C16 | N1 | C7 | C18 | 114.9° | 15.5° |
| N1 | C16 | C13 | C12 | 54.9° | 144.1° |
| N1 | C16 | C13 | C14 | 128.1° | 35.9° |
| C16 | N1 | C8 | H7 | 137.6° | 124.7° |
| C16 | N1 | C8 | H8 | 17.4° | 3.9° |
| C16 | N1 | C7 | H15 | 3.7° | 104.4° |
| C7 | N1 | C16 | O3 | 175.0° | 0.2° |
| C7 | N1 | C16 | C13 | 0.1° | 179.7° |
| N1 | C7 | C18 | H15 | 119.0° | 120.0° |
| N1 | C7 | C18 | C19 | 96.3° | 63.5° |
| N1 | C7 | C18 | C17 | 80.7° | 116.8° |
| C7 | N1 | C8 | H7 | 54.1° | 55.5° |
| C7 | N1 | C8 | H8 | 174.3° | 176.3° |
| O3 | C16 | C13 | C12 | 129.3° | 35.8° |
| O3 | C16 | C13 | C14 | 47.8° | 144.1° |
| C16 | C13 | C12 | C14 | 177.1° | 180.0° |
| C16 | C13 | C12 | C11 | 175.7° | 180.0° |
| C16 | C13 | C14 | C15 | 174.7° | 180.0° |
| C16 | C13 | C12 | H1 | 4.4° | 0.2° |
| C16 | C13 | C14 | H6 | 5.3° | 0.1° |
| C7 | C18 | C19 | C17 | 177.1° | 179.7° |
| C7 | C18 | C19 | C20 | 178.1° | 179.7° |
| C7 | C18 | C17 | C22 | 177.8° | 180.0° |
| C7 | C18 | C17 | H16 | 2.2° | 0.0° |
| C7 | C18 | C19 | H20 | 1.9° | 0.0° |
| C18 | C19 | C20 | H20 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 0.7° | 0.6° |
| C19 | C18 | C17 | C22 | 0.6° | 0.3° |
| C19 | C18 | C7 | H15 | 144.7° | 176.6° |
| C19 | C18 | C17 | H16 | 179.4° | 179.7° |
| C18 | C19 | C20 | H19 | 179.4° | 179.7° |
| C20 | C19 | C18 | C17 | 1.1° | 0.6° |
| C19 | C20 | C21 | H19 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.3° | 0.3° |
| C19 | C20 | C21 | H18 | 179.8° | 179.7° |
| C13 | C12 | C11 | H1 | 180.0° | 179.7° |
| C13 | C12 | C11 | C10 | 0.3° | 0.1° |
| C12 | C13 | C14 | C15 | 2.3° | 0.1° |
| C13 | C12 | C11 | H2 | 179.8° | 180.0° |
| C12 | C13 | C14 | H6 | 177.6° | 180.0° |
| C11 | C12 | C13 | C14 | 1.4° | 0.0° |
| C12 | C11 | C10 | H2 | 180.0° | 179.9° |
| C12 | C11 | C10 | C15 | 1.1° | 0.0° |
| C12 | C11 | C10 | S1 | 172.1° | 180.0° |
| C18 | C17 | C22 | H16 | 180.0° | 180.0° |
| C18 | C17 | C22 | C21 | 0.3° | 0.1° |
| C17 | C18 | C7 | H15 | 38.2° | 3.1° |
| C18 | C17 | C22 | H17 | 179.7° | 179.9° |
| C17 | C18 | C19 | H20 | 179.0° | 179.7° |
| C20 | C21 | C22 | C17 | 0.7° | 0.1° |
| C20 | C21 | C22 | H18 | 180.0° | 180.0° |
| C20 | C21 | C22 | H17 | 179.3° | 179.9° |
| C21 | C20 | C19 | H20 | 179.4° | 179.7° |
| C13 | C14 | C15 | H6 | 180.0° | 179.9° |
| C13 | C14 | C15 | C10 | 1.5° | 0.1° |
| C14 | C13 | C12 | H1 | 178.5° | 179.7° |
| C13 | C14 | C15 | H5 | 178.5° | 180.0° |
| C11 | C10 | C15 | C14 | 0.2° | 0.0° |
| C11 | C10 | C15 | S1 | 173.5° | 180.0° |
| C11 | C10 | S1 | N2 | 11.3° | 90.0° |
| C11 | C10 | S1 | O1 | 125.9° | 156.5° |
| C11 | C10 | S1 | O2 | 107.2° | 23.6° |
| C10 | C11 | C12 | H1 | 179.8° | 179.8° |
| C11 | C10 | C15 | H5 | 179.8° | 180.0° |
| C14 | C15 | C10 | H5 | 180.0° | 179.9° |
| C14 | C15 | C10 | S1 | 173.3° | 180.0° |
| C17 | C22 | C21 | H17 | 180.0° | 179.9° |
| C17 | C22 | C21 | H18 | 179.3° | 180.0° |
| C21 | C22 | C17 | H16 | 179.7° | 180.0° |
| C22 | C21 | C20 | H19 | 179.7° | 180.0° |
| C15 | C10 | S1 | N2 | 162.1° | 90.0° |
| C15 | C10 | S1 | O1 | 47.5° | 23.5° |
| C15 | C10 | S1 | O2 | 79.4° | 156.5° |
| C15 | C10 | C11 | H2 | 179.0° | 180.0° |
| C10 | C15 | C14 | H6 | 178.4° | 180.0° |
| C10 | S1 | N2 | O1 | 113.0° | 113.5° |
| C10 | S1 | N2 | O2 | 118.3° | 113.6° |
| C10 | S1 | O1 | O2 | 120.9° | 123.0° |
| S1 | C10 | C11 | H2 | 7.9° | 0.0° |
| C10 | S1 | N2 | H3 | 180.0° | 150.0° |
| C10 | S1 | N2 | H4 | 60.0° | 30.0° |
| S1 | C10 | C15 | H5 | 6.7° | 0.0° |
| N2 | S1 | O1 | O2 | 123.2° | 122.9° |
| S1 | N2 | H3 | H4 | 120.0° | 180.0° |
| O1 | S1 | N2 | H3 | 67.0° | 36.4° |
| O1 | S1 | N2 | H4 | 53.0° | 143.5° |
| O2 | S1 | N2 | H3 | 61.7° | 96.5° |
| O2 | S1 | N2 | H4 | 178.3° | 83.6° |
| H1 | C12 | C11 | H2 | 0.2° | 0.3° |
| H5 | C15 | C14 | H6 | 1.5° | 0.1° |
| H7 | C8 | C9 | H9 | 53.4° | 48.3° |
| H7 | C8 | C9 | H10 | 172.8° | 167.6° |
| H8 | C8 | C9 | H9 | 66.7° | 72.5° |
| H8 | C8 | C9 | H10 | 52.7° | 46.8° |
| H16 | C17 | C22 | H17 | 0.3° | 0.1° |
| H17 | C22 | C21 | H18 | 0.7° | 0.1° |
| H18 | C21 | C20 | H19 | 0.3° | 0.0° |
| H19 | C20 | C19 | H20 | 0.6° | 0.0° |
