WS8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | O8 | sing | 1.43Å | 1.40Å | |
| B10 | O11 | sing | 1.42Å | 1.36Å | |
| B10 | C4 | sing | 1.57Å | 1.59Å | |
| C5 | C4 | doub | 1.39Å | 1.53Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.33Å | Aromatic |
| O8 | C6 | sing | 1.36Å | 1.41Å | |
| C4 | C3 | sing | 1.39Å | 1.32Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.53Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.52Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.32Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.41Å | |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| B10 | O2 | sing | 1.42Å | 1.40Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | O8 | C6 | 115.3° | 117.0° |
| O8 | C9 | H8 | 109.5° | 109.4° |
| O8 | C9 | H9 | 109.4° | 109.4° |
| O8 | C9 | H10 | 109.5° | 109.5° |
| O11 | B10 | C4 | 112.5° | 120.0° |
| B10 | O11 | H11 | 109.5° | 114.0° |
| O11 | B10 | O2 | 102.4° | 120.0° |
| B10 | C4 | C5 | 121.2° | 120.1° |
| B10 | C4 | C3 | 119.4° | 120.1° |
| C4 | B10 | O2 | 107.1° | 120.0° |
| C4 | C5 | C6 | 120.4° | 119.9° |
| C5 | C4 | C3 | 119.4° | 119.9° |
| C4 | C5 | H1 | 119.8° | 120.0° |
| C5 | C6 | O8 | 121.7° | 119.9° |
| C5 | C6 | C7 | 119.3° | 120.1° |
| C6 | C5 | H1 | 119.8° | 120.1° |
| O8 | C6 | C7 | 119.0° | 120.0° |
| C4 | C3 | C2 | 120.8° | 119.9° |
| C4 | C3 | H6 | 119.6° | 120.0° |
| C6 | C7 | C2 | 120.7° | 120.1° |
| C6 | C7 | H7 | 119.7° | 119.9° |
| C3 | C2 | C7 | 119.4° | 120.1° |
| C3 | C2 | O1 | 119.7° | 119.9° |
| C2 | C3 | H6 | 119.6° | 120.1° |
| C7 | C2 | O1 | 120.9° | 120.0° |
| C2 | C7 | H7 | 119.6° | 119.9° |
| C2 | O1 | C1 | 116.0° | 117.0° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H4 | 109.5° | 109.4° |
| O1 | C1 | H5 | 109.4° | 109.5° |
| H3 | C1 | H4 | 109.4° | 109.5° |
| H3 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H10 | 109.4° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| B10 | O2 | H2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | O8 | C6 | C5 | 29.1° | 180.0° |
| C9 | O8 | C6 | C7 | 150.6° | 0.0° |
| O8 | C9 | H8 | H9 | 120.0° | 119.9° |
| O8 | C9 | H8 | H10 | 120.0° | 120.0° |
| O8 | C9 | H9 | H10 | 120.0° | 120.0° |
| O11 | B10 | C4 | O2 | 111.7° | 180.0° |
| O11 | B10 | C4 | C5 | 118.1° | 179.7° |
| O11 | B10 | C4 | C3 | 60.7° | 0.0° |
| O11 | B10 | O2 | H2 | 180.0° | 0.0° |
| B10 | C4 | C5 | C3 | 178.7° | 179.7° |
| B10 | C4 | C5 | C6 | 179.5° | 179.7° |
| B10 | C4 | C3 | C2 | 179.7° | 179.7° |
| B10 | C4 | C5 | H1 | 0.5° | 0.2° |
| B10 | C4 | C3 | H6 | 0.3° | 0.3° |
| C4 | B10 | O11 | H11 | 180.0° | 180.0° |
| C4 | B10 | O2 | H2 | 61.5° | 180.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | O8 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.0° |
| C5 | C4 | C3 | C2 | 0.9° | 0.0° |
| C5 | C4 | C3 | H6 | 179.1° | 179.9° |
| C5 | C4 | B10 | O2 | 130.2° | 0.3° |
| C5 | C6 | O8 | C7 | 179.6° | 180.0° |
| C6 | C5 | C4 | C3 | 0.8° | 0.0° |
| C5 | C6 | C7 | C2 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| O8 | C6 | C7 | C2 | 179.8° | 180.0° |
| O8 | C6 | C5 | H1 | 0.0° | 0.0° |
| O8 | C6 | C7 | H7 | 0.3° | 0.1° |
| C6 | O8 | C9 | H8 | 180.0° | 59.9° |
| C6 | O8 | C9 | H9 | 60.0° | 60.0° |
| C6 | O8 | C9 | H10 | 60.0° | 180.0° |
| C4 | C3 | C2 | H6 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 0.7° | 0.0° |
| C4 | C3 | C2 | O1 | 179.3° | 180.0° |
| C3 | C4 | C5 | H1 | 179.2° | 180.0° |
| C3 | C4 | B10 | O2 | 51.0° | 180.0° |
| C6 | C7 | C2 | C3 | 0.2° | 0.0° |
| C6 | C7 | C2 | H7 | 180.0° | 180.0° |
| C6 | C7 | C2 | O1 | 179.8° | 180.0° |
| C7 | C6 | C5 | H1 | 179.6° | 180.0° |
| C3 | C2 | C7 | O1 | 180.0° | 180.0° |
| C3 | C2 | O1 | C1 | 167.4° | 180.0° |
| C3 | C2 | C7 | H7 | 179.8° | 180.0° |
| C7 | C2 | O1 | C1 | 12.6° | 0.1° |
| C7 | C2 | C3 | H6 | 179.3° | 179.9° |
| C2 | O1 | C1 | H3 | 180.0° | 59.9° |
| C2 | O1 | C1 | H4 | 60.0° | 60.1° |
| C2 | O1 | C1 | H5 | 60.0° | 180.0° |
| O1 | C2 | C3 | H6 | 0.7° | 0.0° |
| O1 | C2 | C7 | H7 | 0.2° | 0.0° |
| O1 | C1 | H3 | H4 | 120.0° | 119.9° |
| O1 | C1 | H3 | H5 | 120.0° | 120.0° |
| O1 | C1 | H4 | H5 | 120.0° | 120.0° |
| H3 | C1 | H4 | H5 | 120.0° | 120.1° |
| H8 | C9 | H9 | H10 | 120.0° | 120.1° |
| H11 | O11 | B10 | O2 | 65.4° | 0.0° |
