W5B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C6 | sing | 1.48Å | 1.48Å | |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.34Å | |
| C2 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C5 | H17 | sing | 1.08Å | 1.08Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| C10 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C12 | H22 | sing | 1.08Å | 1.08Å | |
| C13 | H23 | sing | 1.08Å | 1.08Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å | |
| C4 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 120.1° | 120.1° |
| C12 | C11 | C10 | 120.0° | 120.2° |
| C12 | C11 | H21 | 120.0° | 119.9° |
| C11 | C12 | H22 | 120.0° | 119.9° |
| C12 | C13 | C8 | 120.5° | 119.9° |
| C13 | C12 | H22 | 119.9° | 119.9° |
| C12 | C13 | H23 | 119.7° | 120.0° |
| C11 | C10 | C9 | 119.9° | 120.1° |
| C11 | C10 | H20 | 120.0° | 119.9° |
| C10 | C11 | H21 | 120.0° | 119.9° |
| C13 | C8 | C9 | 118.4° | 119.8° |
| C13 | C8 | C6 | 121.1° | 120.1° |
| C8 | C13 | H23 | 119.7° | 120.1° |
| C10 | C9 | C8 | 121.0° | 119.9° |
| C9 | C10 | H20 | 120.0° | 119.9° |
| C10 | C9 | H19 | 119.5° | 120.1° |
| C9 | C8 | C6 | 120.6° | 120.1° |
| C8 | C9 | H19 | 119.5° | 120.0° |
| C8 | C6 | C7 | 121.1° | 120.1° |
| C8 | C6 | C5 | 120.5° | 120.1° |
| C6 | C7 | C2 | 120.0° | 119.8° |
| C7 | C6 | C5 | 118.4° | 119.8° |
| C6 | C7 | H18 | 120.0° | 120.1° |
| C7 | C2 | O1 | 120.3° | 120.0° |
| C7 | C2 | C3 | 120.1° | 120.0° |
| C2 | C7 | H18 | 120.0° | 120.0° |
| C6 | C5 | C4 | 121.1° | 120.0° |
| C6 | C5 | H17 | 119.4° | 120.0° |
| O1 | C2 | C3 | 119.4° | 120.0° |
| C2 | O1 | H14 | 109.5° | 114.0° |
| C2 | C3 | C4 | 119.8° | 120.2° |
| C2 | C3 | H15 | 120.1° | 119.9° |
| C5 | C4 | C3 | 120.5° | 120.2° |
| C4 | C5 | H17 | 119.5° | 120.0° |
| C5 | C4 | H16 | 119.8° | 119.9° |
| C4 | C3 | H15 | 120.1° | 119.9° |
| C3 | C4 | H16 | 119.7° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H22 | 180.0° | 179.3° |
| C12 | C11 | C10 | H21 | 180.0° | 179.6° |
| C11 | C12 | C13 | C8 | 0.2° | 0.4° |
| C12 | C11 | C10 | C9 | 0.2° | 0.4° |
| C12 | C11 | C10 | H20 | 179.8° | 179.5° |
| C11 | C12 | C13 | H23 | 179.8° | 179.5° |
| C13 | C12 | C11 | C10 | 0.1° | 0.7° |
| C12 | C13 | C8 | H23 | 180.0° | 179.9° |
| C12 | C13 | C8 | C9 | 0.9° | 0.0° |
| C12 | C13 | C8 | C6 | 179.5° | 179.7° |
| C13 | C12 | C11 | H21 | 179.9° | 179.7° |
| C11 | C10 | C9 | H20 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 1.0° | 0.0° |
| C10 | C11 | C12 | H22 | 179.9° | 180.0° |
| C11 | C10 | C9 | H19 | 179.0° | 179.9° |
| C13 | C8 | C9 | C10 | 1.3° | 0.3° |
| C13 | C8 | C9 | C6 | 179.5° | 179.7° |
| C13 | C8 | C6 | C7 | 135.8° | 0.3° |
| C13 | C8 | C6 | C5 | 43.8° | 179.7° |
| C8 | C13 | C12 | H22 | 179.8° | 179.7° |
| C13 | C8 | C9 | H19 | 178.7° | 179.7° |
| C10 | C9 | C8 | H19 | 180.0° | 179.9° |
| C10 | C9 | C8 | C6 | 179.1° | 179.9° |
| C9 | C10 | C11 | H21 | 179.8° | 180.0° |
| C9 | C8 | C6 | C7 | 44.7° | 180.0° |
| C9 | C8 | C6 | C5 | 135.7° | 0.1° |
| C8 | C9 | C10 | H20 | 179.0° | 180.0° |
| C9 | C8 | C13 | H23 | 179.1° | 180.0° |
| C8 | C6 | C7 | C5 | 179.7° | 180.0° |
| C8 | C6 | C7 | C2 | 179.5° | 180.0° |
| C8 | C6 | C5 | C4 | 179.1° | 180.0° |
| C8 | C6 | C5 | H17 | 0.9° | 0.0° |
| C8 | C6 | C7 | H18 | 0.6° | 0.1° |
| C6 | C8 | C13 | H23 | 0.5° | 0.4° |
| C6 | C8 | C9 | H19 | 0.9° | 0.0° |
| C6 | C7 | C2 | H18 | 180.0° | 179.9° |
| C6 | C7 | C2 | O1 | 178.0° | 179.7° |
| C6 | C7 | C2 | C3 | 3.2° | 0.0° |
| C7 | C6 | C5 | C4 | 1.2° | 0.0° |
| C7 | C6 | C5 | H17 | 178.8° | 180.0° |
| C2 | C7 | C6 | C5 | 0.2° | 0.0° |
| C7 | C2 | O1 | C3 | 174.8° | 179.7° |
| C7 | C2 | C3 | C4 | 4.9° | 0.0° |
| C7 | C2 | C3 | H15 | 175.1° | 180.0° |
| C7 | C2 | O1 | H14 | 180.0° | 90.3° |
| C6 | C5 | C4 | H17 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C5 | C6 | C7 | H18 | 179.8° | 179.9° |
| C6 | C5 | C4 | H16 | 179.6° | 179.9° |
| O1 | C2 | C3 | C4 | 179.6° | 179.7° |
| O1 | C2 | C3 | H15 | 0.3° | 0.3° |
| O1 | C2 | C7 | H18 | 2.0° | 0.2° |
| C2 | C3 | C4 | C5 | 3.4° | 0.0° |
| C2 | C3 | C4 | H15 | 180.0° | 180.0° |
| C3 | C2 | C7 | H18 | 176.7° | 179.9° |
| C3 | C2 | O1 | H14 | 5.2° | 90.0° |
| C2 | C3 | C4 | H16 | 176.5° | 179.9° |
| C5 | C4 | C3 | H16 | 180.0° | 179.9° |
| C5 | C4 | C3 | H15 | 176.5° | 180.0° |
| C3 | C4 | C5 | H17 | 179.6° | 180.0° |
| H15 | C3 | C4 | H16 | 3.5° | 0.1° |
| H17 | C5 | C4 | H16 | 0.4° | 0.0° |
| H20 | C10 | C11 | H21 | 0.2° | 0.1° |
| H20 | C10 | C9 | H19 | 1.0° | 0.0° |
| H21 | C11 | C12 | H22 | 0.1° | 0.4° |
| H22 | C12 | C13 | H23 | 0.2° | 0.2° |
