O8X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.36Å | 1.35Å | |
| C | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | S | sing | 1.76Å | 1.64Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| N | S | sing | 1.66Å | 1.62Å | |
| C4 | N | sing | 1.46Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.51Å | 1.48Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| S1 | C9 | sing | 1.76Å | 1.69Å | |
| C10 | S1 | sing | 1.76Å | 1.70Å | |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| O2 | C14 | sing | 1.36Å | 1.36Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| O3 | S1 | doub | 1.42Å | 1.42Å | |
| O4 | S1 | doub | 1.42Å | 1.47Å | |
| C9 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| S | O5 | doub | 1.42Å | 1.42Å | |
| C18 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| O6 | C19 | sing | 1.36Å | 1.36Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| O6 | H18 | sing | 0.97Å | 0.95Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| N | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 116.5° | 120.1° |
| O | C | C19 | 123.4° | 120.1° |
| C | O | H | 109.5° | 114.0° |
| C | C1 | C2 | 118.1° | 120.0° |
| C1 | C | C19 | 119.8° | 119.8° |
| C | C1 | H1 | 121.0° | 120.0° |
| C1 | C2 | C3 | 122.7° | 120.2° |
| C2 | C1 | H1 | 120.9° | 120.0° |
| C1 | C2 | H2 | 118.6° | 119.9° |
| C2 | C3 | S | 119.4° | 119.9° |
| C2 | C3 | C18 | 118.7° | 120.2° |
| C3 | C2 | H2 | 118.6° | 120.0° |
| C3 | S | O1 | 111.6° | 106.4° |
| C3 | S | N | 102.4° | 107.2° |
| C3 | S | O5 | 106.9° | 106.4° |
| S | C3 | C18 | 121.8° | 119.9° |
| O1 | S | N | 108.2° | 106.5° |
| O1 | S | O5 | 122.7° | 123.1° |
| S | N | C4 | 123.6° | 120.0° |
| N | S | O5 | 102.9° | 106.4° |
| S | N | H3 | 105.8° | 120.0° |
| N | C4 | C5 | 107.6° | 109.4° |
| N | C4 | H4 | 109.9° | 109.5° |
| N | C4 | H5 | 109.9° | 109.5° |
| C4 | N | H3 | 105.8° | 120.0° |
| C4 | C5 | C6 | 111.4° | 109.5° |
| C5 | C4 | H4 | 109.9° | 109.5° |
| C5 | C4 | H5 | 109.9° | 109.5° |
| C4 | C5 | H6 | 109.0° | 109.5° |
| C4 | C5 | H7 | 109.0° | 109.5° |
| C5 | C6 | C7 | 116.5° | 120.0° |
| C5 | C6 | C17 | 124.0° | 120.0° |
| C6 | C5 | H6 | 109.0° | 109.5° |
| C6 | C5 | H7 | 109.0° | 109.5° |
| C6 | C7 | C8 | 121.0° | 120.0° |
| C7 | C6 | C17 | 119.4° | 120.0° |
| C6 | C7 | H8 | 119.5° | 120.0° |
| C7 | C8 | C9 | 121.3° | 120.0° |
| C8 | C7 | H8 | 119.5° | 120.0° |
| C7 | C8 | H9 | 119.3° | 120.0° |
| C8 | C9 | S1 | 121.6° | 120.0° |
| C8 | C9 | C16 | 116.8° | 120.0° |
| C9 | C8 | H9 | 119.4° | 120.1° |
| C9 | S1 | C10 | 99.1° | 107.2° |
| C9 | S1 | O3 | 108.8° | 106.4° |
| C9 | S1 | O4 | 108.5° | 106.4° |
| S1 | C9 | C16 | 121.6° | 120.0° |
| S1 | C10 | C11 | 121.5° | 120.0° |
| S1 | C10 | C15 | 120.6° | 120.0° |
| C10 | S1 | O3 | 107.5° | 106.4° |
| C10 | S1 | O4 | 112.5° | 106.4° |
| C10 | C11 | C12 | 121.5° | 120.1° |
| C11 | C10 | C15 | 117.8° | 120.1° |
| C10 | C11 | H10 | 119.2° | 119.9° |
| C11 | C12 | C13 | 121.1° | 120.1° |
| C11 | C12 | H11 | 119.4° | 120.0° |
| C12 | C11 | H10 | 119.3° | 120.0° |
| C12 | C13 | C14 | 118.0° | 119.9° |
| C12 | C13 | H12 | 121.0° | 120.0° |
| C13 | C12 | H11 | 119.5° | 119.9° |
| C13 | C14 | O2 | 114.0° | 120.0° |
| C13 | C14 | C15 | 122.0° | 119.9° |
| C14 | C13 | H12 | 121.0° | 120.0° |
| O2 | C14 | C15 | 123.9° | 120.1° |
| C14 | O2 | H13 | 109.5° | 114.0° |
| C14 | C15 | C10 | 119.4° | 119.9° |
| C14 | C15 | H14 | 120.3° | 120.0° |
| C10 | C15 | H14 | 120.3° | 120.1° |
| O3 | S1 | O4 | 118.6° | 123.2° |
| C9 | C16 | C17 | 122.7° | 120.0° |
| C9 | C16 | H15 | 118.6° | 120.0° |
| C16 | C17 | C6 | 118.7° | 120.0° |
| C16 | C17 | H16 | 120.7° | 120.0° |
| C17 | C16 | H15 | 118.7° | 120.0° |
| C6 | C17 | H16 | 120.6° | 120.0° |
| C3 | C18 | C19 | 119.7° | 120.0° |
| C3 | C18 | H17 | 120.1° | 120.0° |
| C18 | C19 | C | 120.9° | 119.9° |
| C18 | C19 | O6 | 119.5° | 120.1° |
| C19 | C18 | H17 | 120.1° | 120.0° |
| C | C19 | O6 | 119.6° | 120.1° |
| C19 | O6 | H18 | 109.5° | 114.0° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | C19 | 174.4° | 179.2° |
| O | C | C1 | C2 | 172.2° | 180.0° |
| O | C | C19 | C18 | 172.6° | 179.7° |
| O | C | C19 | O6 | 5.5° | 0.3° |
| O | C | C1 | H1 | 7.8° | 0.6° |
| C | C1 | C2 | H1 | 180.0° | 179.4° |
| C | C1 | C2 | C3 | 1.0° | 0.6° |
| C1 | C | C19 | C18 | 1.5° | 0.5° |
| C1 | C | C19 | O6 | 179.6° | 179.5° |
| C | C1 | C2 | H2 | 179.0° | 180.0° |
| C1 | C | O | H | 180.0° | 90.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.4° |
| C1 | C2 | C3 | S | 176.5° | 180.0° |
| C1 | C2 | C3 | C18 | 1.1° | 0.0° |
| C2 | C1 | C | C19 | 2.3° | 0.8° |
| C2 | C3 | S | C18 | 177.5° | 180.0° |
| C2 | C3 | S | O1 | 179.6° | 156.4° |
| C2 | C3 | S | N | 64.9° | 90.0° |
| C2 | C3 | S | O5 | 42.9° | 23.5° |
| C2 | C3 | C18 | C19 | 1.9° | 0.3° |
| C2 | C3 | C18 | H17 | 178.1° | 180.0° |
| C3 | C2 | C1 | H1 | 179.0° | 180.0° |
| C3 | S | O1 | N | 111.9° | 114.1° |
| C3 | S | O1 | O5 | 128.7° | 122.9° |
| C3 | S | N | O5 | 110.8° | 113.5° |
| C3 | S | N | C4 | 85.0° | 65.0° |
| S | C3 | C18 | C19 | 175.6° | 179.7° |
| S | C3 | C18 | H17 | 4.4° | 0.0° |
| S | C3 | C2 | H2 | 3.5° | 0.6° |
| C3 | S | N | H3 | 153.0° | 115.1° |
| O1 | S | N | O5 | 131.2° | 132.9° |
| O1 | S | N | C4 | 32.9° | 178.5° |
| O1 | S | C3 | C18 | 2.1° | 23.6° |
| O1 | S | N | H3 | 89.0° | 1.5° |
| S | N | C4 | H3 | 121.9° | 180.0° |
| S | N | C4 | C5 | 139.6° | 165.0° |
| N | S | C3 | C18 | 117.6° | 90.0° |
| S | N | C4 | H4 | 19.9° | 45.0° |
| S | N | C4 | H5 | 100.7° | 75.0° |
| N | C4 | C5 | H4 | 119.7° | 120.0° |
| N | C4 | C5 | H5 | 119.7° | 120.0° |
| N | C4 | C5 | C6 | 176.0° | 180.0° |
| C4 | N | S | O5 | 164.2° | 48.5° |
| N | C4 | H4 | H5 | 120.8° | 120.0° |
| N | C4 | C5 | H6 | 55.7° | 60.0° |
| N | C4 | C5 | H7 | 63.7° | 60.0° |
| C4 | C5 | C6 | H6 | 120.3° | 120.0° |
| C4 | C5 | C6 | H7 | 120.3° | 120.0° |
| C4 | C5 | C6 | C7 | 157.0° | 89.9° |
| C4 | C5 | C6 | C17 | 22.1° | 90.0° |
| C5 | C4 | H4 | H5 | 120.9° | 120.0° |
| C4 | C5 | H6 | H7 | 119.1° | 120.0° |
| C5 | C4 | N | H3 | 98.5° | 15.0° |
| C5 | C6 | C7 | C17 | 179.1° | 179.9° |
| C5 | C6 | C7 | C8 | 178.2° | 180.0° |
| C5 | C6 | C17 | C16 | 178.1° | 179.7° |
| C5 | C6 | C17 | H16 | 1.9° | 0.0° |
| C6 | C5 | C4 | H4 | 64.3° | 60.0° |
| C6 | C5 | C4 | H5 | 56.3° | 60.0° |
| C6 | C5 | H6 | H7 | 119.1° | 120.0° |
| C5 | C6 | C7 | H8 | 1.8° | 0.1° |
| C6 | C7 | C8 | H8 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.5° |
| C7 | C6 | C17 | C16 | 0.9° | 0.3° |
| C7 | C6 | C17 | H16 | 179.0° | 179.9° |
| C7 | C6 | C5 | H6 | 36.7° | 150.1° |
| C7 | C6 | C5 | H7 | 82.7° | 30.0° |
| C6 | C7 | C8 | H9 | 179.9° | 179.9° |
| C7 | C8 | C9 | H9 | 180.0° | 179.5° |
| C7 | C8 | C9 | S1 | 177.4° | 179.8° |
| C7 | C8 | C9 | C16 | 1.0° | 0.8° |
| C8 | C7 | C6 | C17 | 0.9° | 0.1° |
| C8 | C9 | S1 | C16 | 178.3° | 179.5° |
| C8 | C9 | S1 | C10 | 81.8° | 90.6° |
| C8 | C9 | S1 | O3 | 166.2° | 23.0° |
| C8 | C9 | S1 | O4 | 35.8° | 155.9° |
| C8 | C9 | C16 | C17 | 0.9° | 0.5° |
| C8 | C9 | C16 | H15 | 179.1° | 179.4° |
| C9 | C8 | C7 | H8 | 179.9° | 179.4° |
| C9 | S1 | C10 | O3 | 113.2° | 113.5° |
| C9 | S1 | C10 | O4 | 114.4° | 113.5° |
| C9 | S1 | C10 | C11 | 92.7° | 90.2° |
| C9 | S1 | C10 | C15 | 84.1° | 90.0° |
| C9 | S1 | O3 | O4 | 124.6° | 123.0° |
| S1 | C9 | C16 | C17 | 177.4° | 180.0° |
| S1 | C9 | C16 | H15 | 2.5° | 0.0° |
| S1 | C9 | C8 | H9 | 2.6° | 0.3° |
| S1 | C10 | C11 | C15 | 176.9° | 179.8° |
| S1 | C10 | C11 | C12 | 175.5° | 179.7° |
| S1 | C10 | C15 | C14 | 175.2° | 179.7° |
| C10 | S1 | O3 | O4 | 129.0° | 122.9° |
| C10 | S1 | C9 | C16 | 96.5° | 90.0° |
| S1 | C10 | C15 | H14 | 4.8° | 0.1° |
| S1 | C10 | C11 | H10 | 4.5° | 0.2° |
| C10 | C11 | C12 | H10 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C11 | C10 | C15 | C14 | 1.7° | 0.1° |
| C11 | C10 | S1 | O3 | 20.5° | 156.3° |
| C11 | C10 | S1 | O4 | 152.9° | 23.3° |
| C11 | C10 | C15 | H14 | 178.3° | 179.7° |
| C10 | C11 | C12 | H11 | 179.9° | 180.0° |
| C11 | C12 | C13 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.3° | 0.1° |
| C12 | C11 | C10 | C15 | 1.4° | 0.1° |
| C11 | C12 | C13 | H12 | 178.7° | 179.9° |
| C12 | C13 | C14 | H12 | 180.0° | 180.0° |
| C12 | C13 | C14 | O2 | 178.4° | 180.0° |
| C12 | C13 | C14 | C15 | 1.0° | 0.1° |
| C13 | C12 | C11 | H10 | 179.9° | 180.0° |
| C13 | C14 | O2 | C15 | 179.3° | 179.9° |
| C13 | C14 | C15 | C10 | 0.6° | 0.1° |
| C13 | C14 | C15 | H14 | 179.5° | 179.7° |
| C13 | C14 | O2 | H13 | 180.0° | 90.1° |
| C14 | C13 | C12 | H11 | 178.7° | 179.9° |
| O2 | C14 | C15 | C10 | 179.8° | 180.0° |
| O2 | C14 | C15 | H14 | 0.2° | 0.4° |
| O2 | C14 | C13 | H12 | 1.6° | 0.0° |
| C14 | C15 | C10 | H14 | 180.0° | 179.6° |
| C15 | C14 | C13 | H12 | 179.1° | 179.9° |
| C15 | C14 | O2 | H13 | 0.7° | 90.0° |
| C15 | C10 | S1 | O3 | 162.7° | 23.6° |
| C15 | C10 | S1 | O4 | 30.3° | 156.5° |
| C15 | C10 | C11 | H10 | 178.6° | 180.0° |
| O3 | S1 | C9 | C16 | 15.6° | 156.5° |
| O4 | S1 | C9 | C16 | 145.9° | 23.5° |
| C9 | C16 | C17 | H15 | 180.0° | 180.0° |
| C9 | C16 | C17 | C6 | 0.0° | 0.0° |
| C9 | C16 | C17 | H16 | 180.0° | 179.8° |
| C16 | C9 | C8 | H9 | 179.0° | 179.7° |
| C16 | C17 | C6 | H16 | 180.0° | 179.7° |
| C6 | C17 | C16 | H15 | 180.0° | 180.0° |
| C17 | C6 | C5 | H6 | 142.4° | 30.0° |
| C17 | C6 | C5 | H7 | 98.2° | 150.0° |
| C17 | C6 | C7 | H8 | 179.1° | 180.0° |
| O5 | S | C3 | C18 | 134.6° | 156.5° |
| O5 | S | N | H3 | 42.2° | 131.4° |
| C3 | C18 | C19 | H17 | 180.0° | 179.7° |
| C3 | C18 | C19 | C | 0.6° | 0.0° |
| C3 | C18 | C19 | O6 | 177.4° | 180.0° |
| C18 | C3 | C2 | H2 | 178.9° | 179.5° |
| C18 | C19 | C | O6 | 178.1° | 180.0° |
| C18 | C19 | O6 | H18 | 180.0° | 90.0° |
| C | C19 | C18 | H17 | 179.4° | 179.7° |
| C19 | C | C1 | H1 | 177.7° | 179.8° |
| C | C19 | O6 | H18 | 1.9° | 90.0° |
| C19 | C | O | H | 5.8° | 89.2° |
| O6 | C19 | C18 | H17 | 2.6° | 0.3° |
| H16 | C17 | C16 | H15 | 0.0° | 0.3° |
| H1 | C1 | C2 | H2 | 1.0° | 0.6° |
| H12 | C13 | C12 | H11 | 1.3° | 0.0° |
| H4 | C4 | C5 | H6 | 175.4° | 60.0° |
| H4 | C4 | C5 | H7 | 56.0° | 180.0° |
| H4 | C4 | N | H3 | 141.8° | 134.9° |
| H5 | C4 | C5 | H6 | 64.0° | 180.0° |
| H5 | C4 | C5 | H7 | 176.6° | 60.0° |
| H5 | C4 | N | H3 | 21.2° | 105.0° |
| H8 | C7 | C8 | H9 | 0.1° | 0.0° |
| H11 | C12 | C11 | H10 | 0.1° | 0.1° |
