5VL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.38Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.50Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | O14 | sing | 1.36Å | 1.38Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| O14 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 120.1° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.4° |
| C3 | C4 | H1 | 120.0° | 119.8° |
| C4 | C3 | H6 | 119.9° | 120.0° |
| C3 | C2 | O1 | 117.9° | 120.1° |
| C3 | C2 | C7 | 120.4° | 119.8° |
| C2 | C3 | H6 | 120.0° | 120.0° |
| O1 | C2 | C7 | 121.7° | 120.2° |
| C2 | O1 | H5 | 109.5° | 114.1° |
| C4 | C5 | C6 | 120.1° | 120.2° |
| C5 | C4 | H1 | 120.1° | 119.8° |
| C4 | C5 | H2 | 120.0° | 119.9° |
| C2 | C7 | C6 | 119.0° | 119.7° |
| C2 | C7 | C8 | 124.5° | 120.1° |
| C5 | C6 | C7 | 120.5° | 119.9° |
| C6 | C5 | H2 | 120.0° | 119.9° |
| C5 | C6 | H3 | 119.7° | 120.1° |
| C6 | C7 | C8 | 116.4° | 120.1° |
| C7 | C6 | H3 | 119.8° | 120.0° |
| C7 | C8 | C9 | 116.6° | 120.1° |
| C7 | C8 | C13 | 124.4° | 120.1° |
| C8 | C9 | C10 | 120.7° | 119.9° |
| C9 | C8 | C13 | 119.0° | 119.7° |
| C8 | C9 | H7 | 119.6° | 120.1° |
| C9 | C10 | C11 | 120.2° | 120.2° |
| C9 | C10 | H4 | 119.9° | 119.9° |
| C10 | C9 | H7 | 119.6° | 120.0° |
| C8 | C13 | O14 | 121.5° | 120.1° |
| C8 | C13 | C12 | 120.2° | 119.7° |
| C10 | C11 | C12 | 119.5° | 120.3° |
| C11 | C10 | H4 | 119.9° | 119.9° |
| C10 | C11 | H8 | 120.3° | 119.8° |
| O14 | C13 | C12 | 118.3° | 120.1° |
| C13 | O14 | H10 | 109.5° | 114.0° |
| C13 | C12 | C11 | 120.4° | 120.1° |
| C13 | C12 | H9 | 119.8° | 120.0° |
| C12 | C11 | H8 | 120.2° | 119.8° |
| C11 | C12 | H9 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H6 | 180.0° | 179.5° |
| C4 | C3 | C2 | O1 | 179.9° | 179.8° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C4 | C3 | C2 | C7 | 0.3° | 0.6° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C3 | C4 | C5 | H2 | 179.7° | 179.7° |
| C3 | C2 | O1 | C7 | 179.6° | 179.7° |
| C2 | C3 | C4 | C5 | 0.0° | 0.5° |
| C3 | C2 | C7 | C6 | 0.3° | 0.3° |
| C3 | C2 | C7 | C8 | 179.8° | 179.7° |
| C2 | C3 | C4 | H1 | 180.0° | 179.7° |
| C3 | C2 | O1 | H5 | 180.0° | 89.7° |
| O1 | C2 | C7 | C6 | 179.9° | 180.0° |
| O1 | C2 | C7 | C8 | 0.1° | 0.1° |
| O1 | C2 | C3 | H6 | 0.1° | 0.3° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C4 | C5 | C6 | H3 | 179.8° | 180.0° |
| C5 | C4 | C3 | H6 | 179.9° | 180.0° |
| C2 | C7 | C6 | C5 | 0.1° | 0.0° |
| C2 | C7 | C6 | C8 | 179.9° | 180.0° |
| C2 | C7 | C8 | C9 | 154.2° | 115.2° |
| C2 | C7 | C8 | C13 | 27.4° | 65.0° |
| C2 | C7 | C6 | H3 | 179.9° | 180.0° |
| C7 | C2 | O1 | H5 | 0.4° | 90.0° |
| C7 | C2 | C3 | H6 | 179.8° | 180.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 180.0° | 180.0° |
| C6 | C5 | C4 | H1 | 179.7° | 180.0° |
| C6 | C7 | C8 | C9 | 25.8° | 64.8° |
| C6 | C7 | C8 | C13 | 152.7° | 115.0° |
| C7 | C6 | C5 | H2 | 179.8° | 180.0° |
| C7 | C8 | C9 | C13 | 178.6° | 179.8° |
| C7 | C8 | C9 | C10 | 179.1° | 180.0° |
| C7 | C8 | C13 | O14 | 1.4° | 0.1° |
| C7 | C8 | C13 | C12 | 179.3° | 180.0° |
| C8 | C7 | C6 | H3 | 0.0° | 0.0° |
| C7 | C8 | C9 | H7 | 0.8° | 0.1° |
| C8 | C9 | C10 | H7 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C9 | C8 | C13 | O14 | 179.8° | 179.8° |
| C9 | C8 | C13 | C12 | 0.8° | 0.2° |
| C8 | C9 | C10 | H4 | 180.0° | 179.7° |
| C10 | C9 | C8 | C13 | 0.6° | 0.2° |
| C9 | C10 | C11 | H4 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.4° | 0.3° |
| C9 | C10 | C11 | H8 | 179.6° | 179.8° |
| C8 | C13 | O14 | C12 | 179.3° | 180.0° |
| C8 | C13 | C12 | C11 | 0.5° | 0.0° |
| C13 | C8 | C9 | H7 | 179.4° | 179.7° |
| C8 | C13 | C12 | H9 | 179.5° | 180.0° |
| C8 | C13 | O14 | H10 | 180.0° | 90.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.3° |
| C10 | C11 | C12 | H8 | 180.0° | 179.9° |
| C11 | C10 | C9 | H7 | 180.0° | 180.0° |
| C10 | C11 | C12 | H9 | 179.9° | 179.8° |
| O14 | C13 | C12 | C11 | 179.8° | 179.9° |
| O14 | C13 | C12 | H9 | 0.2° | 0.0° |
| C13 | C12 | C11 | H9 | 180.0° | 179.9° |
| C13 | C12 | C11 | H8 | 179.9° | 179.8° |
| C12 | C13 | O14 | H10 | 0.7° | 90.0° |
| C12 | C11 | C10 | H4 | 179.6° | 180.0° |
| H1 | C4 | C5 | H2 | 0.3° | 0.0° |
| H1 | C4 | C3 | H6 | 0.0° | 0.3° |
| H2 | C5 | C6 | H3 | 0.2° | 0.0° |
| H4 | C10 | C9 | H7 | 0.0° | 0.3° |
| H4 | C10 | C11 | H8 | 0.4° | 0.1° |
| H8 | C11 | C12 | H9 | 0.1° | 0.1° |
