O8O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.36Å | 1.34Å | |
| C | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.48Å | 1.49Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C5 | sing | 1.36Å | 1.37Å | |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| O2 | C6 | sing | 1.36Å | 1.35Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C8 | sing | 1.40Å | 1.45Å | Aromatic |
| C8 | N | sing | 1.40Å | 1.41Å | |
| C9 | N | sing | 1.47Å | 1.47Å | |
| C10 | C9 | sing | 1.51Å | 1.58Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| S | C13 | sing | 1.76Å | 1.73Å | |
| C14 | S | sing | 1.76Å | 1.70Å | |
| C14 | C15 | doub | 1.38Å | 1.46Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| O3 | C17 | sing | 1.36Å | 1.36Å | |
| C17 | C18 | sing | 1.39Å | 1.44Å | Aromatic |
| O4 | C18 | sing | 1.36Å | 1.37Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| O5 | S | doub | 1.42Å | 1.44Å | |
| O6 | S | doub | 1.42Å | 1.46Å | |
| C13 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| N | S1 | sing | 1.66Å | 1.72Å | |
| O7 | S1 | doub | 1.42Å | 1.44Å | |
| S1 | O8 | doub | 1.42Å | 1.45Å | |
| C2 | C22 | doub | 1.39Å | 1.43Å | Aromatic |
| C22 | S1 | sing | 1.77Å | 1.64Å | |
| C23 | C22 | sing | 1.38Å | 1.43Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C | C24 | sing | 1.39Å | 1.44Å | Aromatic |
| O9 | C24 | sing | 1.36Å | 1.38Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| O9 | H18 | sing | 0.97Å | 0.95Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 115.1° | 119.9° |
| O | C | C24 | 124.2° | 119.8° |
| C | O | H | 109.5° | 114.0° |
| C | C1 | C2 | 120.1° | 119.9° |
| C1 | C | C24 | 120.6° | 120.3° |
| C | C1 | H1 | 120.0° | 120.0° |
| C1 | C2 | C3 | 123.7° | 119.6° |
| C1 | C2 | C22 | 119.3° | 119.2° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C2 | C3 | C4 | 121.3° | 117.9° |
| C2 | C3 | C8 | 118.6° | 122.8° |
| C3 | C2 | C22 | 117.0° | 121.2° |
| C3 | C4 | C5 | 122.0° | 120.4° |
| C4 | C3 | C8 | 118.7° | 119.3° |
| C3 | C4 | H2 | 119.0° | 119.8° |
| C4 | C5 | O1 | 116.0° | 120.0° |
| C4 | C5 | C6 | 118.6° | 120.1° |
| C5 | C4 | H2 | 118.9° | 119.8° |
| O1 | C5 | C6 | 125.3° | 120.0° |
| C5 | O1 | H3 | 109.5° | 114.1° |
| C5 | C6 | O2 | 116.1° | 120.0° |
| C5 | C6 | C7 | 120.9° | 119.9° |
| O2 | C6 | C7 | 122.7° | 120.1° |
| C6 | O2 | H4 | 109.5° | 114.0° |
| C6 | C7 | C8 | 120.4° | 120.3° |
| C6 | C7 | H5 | 119.8° | 119.9° |
| C7 | C8 | C3 | 118.9° | 120.0° |
| C7 | C8 | N | 127.1° | 118.2° |
| C8 | C7 | H5 | 119.8° | 119.9° |
| C3 | C8 | N | 113.6° | 121.8° |
| C8 | N | C9 | 123.8° | 121.0° |
| C8 | N | S1 | 117.2° | 117.9° |
| N | C9 | C10 | 113.8° | 109.5° |
| C9 | N | S1 | 118.9° | 121.1° |
| N | C9 | H6 | 108.4° | 109.5° |
| N | C9 | H7 | 108.4° | 109.4° |
| C9 | C10 | C11 | 121.4° | 120.0° |
| C9 | C10 | C21 | 122.4° | 120.0° |
| C10 | C9 | H6 | 108.4° | 109.5° |
| C10 | C9 | H7 | 108.4° | 109.5° |
| C10 | C11 | C12 | 122.2° | 119.9° |
| C11 | C10 | C21 | 116.1° | 120.0° |
| C10 | C11 | H8 | 118.9° | 120.0° |
| C11 | C12 | C13 | 123.2° | 120.1° |
| C11 | C12 | H9 | 118.4° | 119.9° |
| C12 | C11 | H8 | 118.9° | 120.0° |
| C12 | C13 | S | 121.1° | 120.0° |
| C12 | C13 | C20 | 114.5° | 120.0° |
| C13 | C12 | H9 | 118.4° | 120.0° |
| C13 | S | C14 | 107.8° | 107.2° |
| C13 | S | O5 | 107.3° | 106.4° |
| C13 | S | O6 | 110.4° | 106.4° |
| S | C13 | C20 | 124.4° | 120.0° |
| S | C14 | C15 | 121.4° | 119.9° |
| S | C14 | C19 | 121.5° | 119.9° |
| C14 | S | O5 | 108.2° | 106.4° |
| C14 | S | O6 | 105.0° | 106.4° |
| C14 | C15 | C16 | 123.0° | 120.1° |
| C15 | C14 | C19 | 117.1° | 120.2° |
| C14 | C15 | H10 | 118.5° | 119.9° |
| C15 | C16 | C17 | 118.3° | 120.0° |
| C15 | C16 | H11 | 120.9° | 120.0° |
| C16 | C15 | H10 | 118.5° | 119.9° |
| C16 | C17 | O3 | 115.8° | 120.1° |
| C16 | C17 | C18 | 119.3° | 119.8° |
| C17 | C16 | H11 | 120.8° | 120.0° |
| O3 | C17 | C18 | 124.9° | 120.1° |
| C17 | O3 | H12 | 109.5° | 114.0° |
| C17 | C18 | O4 | 117.8° | 120.0° |
| C17 | C18 | C19 | 121.9° | 119.9° |
| O4 | C18 | C19 | 120.3° | 120.1° |
| C18 | O4 | H13 | 109.5° | 114.0° |
| C18 | C19 | C14 | 120.4° | 120.0° |
| C18 | C19 | H14 | 119.8° | 119.9° |
| C14 | C19 | H14 | 119.8° | 120.0° |
| O5 | S | O6 | 117.7° | 123.1° |
| C13 | C20 | C21 | 122.7° | 120.0° |
| C13 | C20 | H15 | 118.6° | 120.0° |
| C20 | C21 | C10 | 121.3° | 120.0° |
| C20 | C21 | H16 | 119.4° | 120.0° |
| C21 | C20 | H15 | 118.7° | 120.0° |
| C10 | C21 | H16 | 119.4° | 120.0° |
| N | S1 | O7 | 108.7° | 106.8° |
| N | S1 | O8 | 115.8° | 106.8° |
| N | S1 | C22 | 91.6° | 104.5° |
| O7 | S1 | O8 | 113.1° | 123.5° |
| O7 | S1 | C22 | 108.9° | 106.9° |
| O8 | S1 | C22 | 116.9° | 106.8° |
| C2 | C22 | S1 | 122.1° | 118.4° |
| C2 | C22 | C23 | 119.9° | 120.9° |
| S1 | C22 | C23 | 117.9° | 120.7° |
| C22 | C23 | C24 | 120.8° | 119.8° |
| C22 | C23 | H17 | 119.6° | 120.1° |
| C23 | C24 | C | 119.1° | 119.9° |
| C23 | C24 | O9 | 122.3° | 120.1° |
| C24 | C23 | H17 | 119.6° | 120.1° |
| C | C24 | O9 | 118.5° | 120.1° |
| C24 | O9 | H18 | 109.5° | 114.0° |
| H6 | C9 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | C24 | 178.4° | 179.7° |
| O | C | C1 | C2 | 176.0° | 179.8° |
| O | C | C24 | C23 | 178.8° | 179.8° |
| O | C | C24 | O9 | 0.8° | 0.2° |
| O | C | C1 | H1 | 4.0° | 0.3° |
| C | C1 | C2 | H1 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 175.9° | 179.9° |
| C | C1 | C2 | C22 | 4.5° | 0.0° |
| C1 | C | C24 | C23 | 0.6° | 0.1° |
| C1 | C | C24 | O9 | 179.0° | 179.9° |
| C1 | C | O | H | 180.0° | 90.0° |
| C1 | C2 | C3 | C22 | 179.6° | 179.9° |
| C1 | C2 | C3 | C4 | 17.6° | 16.6° |
| C1 | C2 | C3 | C8 | 149.0° | 163.3° |
| C1 | C2 | C22 | S1 | 173.9° | 179.9° |
| C1 | C2 | C22 | C23 | 3.7° | 0.0° |
| C2 | C1 | C | C24 | 2.4° | 0.1° |
| C2 | C3 | C4 | C8 | 166.5° | 179.9° |
| C2 | C3 | C4 | C5 | 166.4° | 179.9° |
| C2 | C3 | C8 | C7 | 161.8° | 179.8° |
| C2 | C3 | C8 | N | 11.3° | 0.3° |
| C3 | C2 | C22 | S1 | 5.8° | 0.2° |
| C3 | C2 | C22 | C23 | 176.6° | 179.9° |
| C3 | C2 | C1 | H1 | 4.1° | 0.2° |
| C2 | C3 | C4 | H2 | 13.6° | 0.2° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | O1 | 173.8° | 180.0° |
| C3 | C4 | C5 | C6 | 3.1° | 0.0° |
| C4 | C3 | C8 | C7 | 5.1° | 0.1° |
| C4 | C3 | C8 | N | 178.2° | 179.8° |
| C4 | C3 | C2 | C22 | 162.0° | 163.3° |
| C4 | C5 | O1 | C6 | 176.7° | 180.0° |
| C4 | C5 | C6 | O2 | 176.5° | 179.9° |
| C4 | C5 | C6 | C7 | 1.5° | 0.1° |
| C5 | C4 | C3 | C8 | 0.2° | 0.1° |
| C4 | C5 | O1 | H3 | 180.0° | 89.9° |
| O1 | C5 | C6 | O2 | 0.1° | 0.0° |
| O1 | C5 | C6 | C7 | 175.1° | 180.0° |
| O1 | C5 | C4 | H2 | 6.2° | 0.0° |
| C5 | C6 | O2 | C7 | 174.9° | 180.0° |
| C5 | C6 | C7 | C8 | 3.5° | 0.0° |
| C5 | C6 | C7 | H5 | 176.5° | 179.9° |
| C5 | C6 | O2 | H4 | 180.0° | 90.0° |
| C6 | C5 | O1 | H3 | 3.4° | 90.0° |
| C6 | C5 | C4 | H2 | 176.9° | 180.0° |
| O2 | C6 | C7 | C8 | 171.1° | 180.0° |
| O2 | C6 | C7 | H5 | 8.9° | 0.1° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 6.7° | 0.1° |
| C6 | C7 | C8 | N | 178.8° | 179.8° |
| C7 | C6 | O2 | H4 | 5.1° | 90.0° |
| C7 | C8 | C3 | N | 173.1° | 179.9° |
| C7 | C8 | N | C9 | 31.6° | 31.5° |
| C7 | C8 | N | S1 | 143.9° | 148.5° |
| C3 | C8 | N | C9 | 140.8° | 148.6° |
| C3 | C8 | N | S1 | 43.7° | 31.4° |
| C8 | C3 | C2 | C22 | 31.4° | 16.8° |
| C3 | C8 | C7 | H5 | 173.3° | 180.0° |
| C8 | C3 | C4 | H2 | 179.8° | 179.9° |
| C8 | N | C9 | S1 | 175.4° | 179.9° |
| C8 | N | C9 | C10 | 79.1° | 85.0° |
| C8 | N | S1 | O7 | 42.8° | 72.3° |
| C8 | N | S1 | O8 | 171.3° | 153.8° |
| C8 | N | S1 | C22 | 67.7° | 40.8° |
| N | C8 | C7 | H5 | 1.2° | 0.2° |
| C8 | N | C9 | H6 | 41.6° | 35.0° |
| C8 | N | C9 | H7 | 160.3° | 155.1° |
| N | C9 | C10 | H6 | 120.7° | 120.0° |
| N | C9 | C10 | H7 | 120.6° | 120.0° |
| N | C9 | C10 | C11 | 145.3° | 90.0° |
| N | C9 | C10 | C21 | 38.2° | 89.7° |
| C9 | N | S1 | O7 | 132.9° | 107.8° |
| C9 | N | S1 | O8 | 4.4° | 26.2° |
| C9 | N | S1 | C22 | 116.6° | 139.2° |
| N | C9 | H6 | H7 | 118.0° | 120.0° |
| C9 | C10 | C11 | C21 | 176.7° | 179.7° |
| C9 | C10 | C11 | C12 | 174.4° | 179.7° |
| C9 | C10 | C21 | C20 | 174.8° | 180.0° |
| C10 | C9 | N | S1 | 105.5° | 95.0° |
| C10 | C9 | H6 | H7 | 118.0° | 120.0° |
| C9 | C10 | C21 | H16 | 5.2° | 0.0° |
| C9 | C10 | C11 | H8 | 5.6° | 0.0° |
| C10 | C11 | C12 | H8 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.6° | 0.6° |
| C11 | C10 | C21 | C20 | 1.9° | 0.3° |
| C11 | C10 | C9 | H6 | 24.7° | 30.0° |
| C11 | C10 | C9 | H7 | 94.1° | 150.0° |
| C11 | C10 | C21 | H16 | 178.1° | 179.7° |
| C10 | C11 | C12 | H9 | 179.4° | 179.6° |
| C11 | C12 | C13 | H9 | 180.0° | 179.8° |
| C11 | C12 | C13 | S | 177.8° | 179.8° |
| C11 | C12 | C13 | C20 | 1.4° | 0.3° |
| C12 | C11 | C10 | C21 | 2.3° | 0.6° |
| C12 | C13 | S | C20 | 179.1° | 179.9° |
| C12 | C13 | S | C14 | 94.4° | 90.0° |
| C12 | C13 | S | O5 | 21.9° | 23.5° |
| C12 | C13 | S | O6 | 151.4° | 156.4° |
| C12 | C13 | C20 | C21 | 1.8° | 0.0° |
| C12 | C13 | C20 | H15 | 178.2° | 180.0° |
| C13 | C12 | C11 | H8 | 179.4° | 179.8° |
| C13 | S | C14 | O5 | 115.8° | 113.5° |
| C13 | S | C14 | O6 | 117.8° | 113.6° |
| C13 | S | C14 | C15 | 93.6° | 90.0° |
| C13 | S | C14 | C19 | 87.7° | 89.8° |
| C13 | S | O5 | O6 | 125.2° | 123.0° |
| S | C13 | C20 | C21 | 177.4° | 179.9° |
| S | C13 | C20 | H15 | 2.6° | 0.1° |
| S | C13 | C12 | H9 | 2.2° | 0.0° |
| S | C14 | C15 | C19 | 178.7° | 179.8° |
| S | C14 | C15 | C16 | 179.3° | 179.8° |
| S | C14 | C19 | C18 | 179.3° | 180.0° |
| C14 | S | O5 | O6 | 118.7° | 122.9° |
| C14 | S | C13 | C20 | 84.7° | 90.0° |
| S | C14 | C19 | H14 | 0.7° | 0.0° |
| S | C14 | C15 | H10 | 0.7° | 0.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.5° | 0.5° |
| C15 | C14 | C19 | C18 | 0.6° | 0.2° |
| C15 | C14 | S | O5 | 150.7° | 23.5° |
| C15 | C14 | S | O6 | 24.2° | 156.4° |
| C15 | C14 | C19 | H14 | 179.4° | 179.8° |
| C14 | C15 | C16 | H11 | 179.5° | 179.8° |
| C15 | C16 | C17 | H11 | 180.0° | 179.7° |
| C15 | C16 | C17 | O3 | 176.6° | 179.7° |
| C15 | C16 | C17 | C18 | 1.6° | 0.3° |
| C16 | C15 | C14 | C19 | 0.6° | 0.5° |
| C16 | C17 | O3 | C18 | 178.1° | 180.0° |
| C16 | C17 | C18 | O4 | 177.8° | 180.0° |
| C16 | C17 | C18 | C19 | 1.7° | 0.0° |
| C16 | C17 | O3 | H12 | 180.0° | 90.0° |
| C17 | C16 | C15 | H10 | 179.5° | 179.7° |
| O3 | C17 | C18 | O4 | 4.1° | 0.0° |
| O3 | C17 | C18 | C19 | 176.3° | 180.0° |
| O3 | C17 | C16 | H11 | 3.4° | 0.0° |
| C17 | C18 | O4 | C19 | 179.5° | 180.0° |
| C17 | C18 | C19 | C14 | 0.6° | 0.0° |
| C17 | C18 | C19 | H14 | 179.5° | 180.0° |
| C17 | C18 | O4 | H13 | 180.0° | 90.0° |
| C18 | C17 | O3 | H12 | 1.9° | 90.0° |
| C18 | C17 | C16 | H11 | 178.4° | 180.0° |
| O4 | C18 | C19 | C14 | 179.0° | 179.9° |
| O4 | C18 | C19 | H14 | 1.0° | 0.0° |
| C18 | C19 | C14 | H14 | 180.0° | 180.0° |
| C19 | C18 | O4 | H13 | 0.5° | 90.0° |
| C19 | C14 | S | O5 | 28.0° | 156.7° |
| C19 | C14 | S | O6 | 154.5° | 23.8° |
| C19 | C14 | C15 | H10 | 179.4° | 179.8° |
| O5 | S | C13 | C20 | 159.0° | 156.4° |
| O6 | S | C13 | C20 | 29.5° | 23.5° |
| C13 | C20 | C21 | H15 | 180.0° | 180.0° |
| C13 | C20 | C21 | C10 | 0.2° | 0.0° |
| C13 | C20 | C21 | H16 | 179.8° | 180.0° |
| C20 | C13 | C12 | H9 | 178.6° | 179.9° |
| C20 | C21 | C10 | H16 | 180.0° | 180.0° |
| C21 | C10 | C9 | H6 | 158.8° | 150.3° |
| C21 | C10 | C9 | H7 | 82.4° | 30.3° |
| C10 | C21 | C20 | H15 | 179.8° | 180.0° |
| C21 | C10 | C11 | H8 | 177.7° | 179.7° |
| N | S1 | O7 | O8 | 130.0° | 124.3° |
| N | S1 | O7 | C22 | 98.4° | 111.4° |
| N | S1 | O8 | C22 | 106.2° | 111.4° |
| N | S1 | C22 | C2 | 46.1° | 25.4° |
| N | S1 | C22 | C23 | 136.2° | 154.6° |
| S1 | N | C9 | H6 | 133.8° | 145.0° |
| S1 | N | C9 | H7 | 15.1° | 25.0° |
| O7 | S1 | O8 | C22 | 127.6° | 124.3° |
| O7 | S1 | C22 | C2 | 64.2° | 87.7° |
| O7 | S1 | C22 | C23 | 113.4° | 92.4° |
| O8 | S1 | C22 | C2 | 166.2° | 138.4° |
| O8 | S1 | C22 | C23 | 16.1° | 41.6° |
| C2 | C22 | S1 | C23 | 177.7° | 180.0° |
| C2 | C22 | C23 | C24 | 0.8° | 0.0° |
| C22 | C2 | C1 | H1 | 175.5° | 179.9° |
| C2 | C22 | C23 | H17 | 179.2° | 180.0° |
| S1 | C22 | C23 | C24 | 176.9° | 179.9° |
| S1 | C22 | C23 | H17 | 3.1° | 0.0° |
| C22 | C23 | C24 | H17 | 180.0° | 179.9° |
| C22 | C23 | C24 | C | 1.3° | 0.0° |
| C22 | C23 | C24 | O9 | 178.2° | 180.0° |
| C23 | C24 | C | O9 | 179.6° | 180.0° |
| C23 | C24 | O9 | H18 | 180.0° | 90.0° |
| C24 | C | O | H | 1.7° | 90.3° |
| C24 | C | C1 | H1 | 177.6° | 180.0° |
| C | C24 | C23 | H17 | 178.7° | 179.9° |
| C | C24 | O9 | H18 | 0.5° | 90.0° |
| O9 | C24 | C23 | H17 | 1.8° | 0.1° |
| H16 | C21 | C20 | H15 | 0.1° | 0.0° |
| H9 | C12 | C11 | H8 | 0.6° | 0.0° |
| H11 | C16 | C15 | H10 | 0.5° | 0.0° |
