VTG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C7 | sing | 1.43Å | 1.40Å | |
| C7 | C1 | sing | 1.51Å | 1.54Å | |
| C2 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.34Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.32Å | Aromatic |
| C4 | C8 | sing | 1.51Å | 1.52Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C7 | C1 | 113.9° | 109.4° |
| C7 | O1 | H3 | 109.5° | 113.9° |
| O1 | C7 | H4 | 108.3° | 109.5° |
| O1 | C7 | H5 | 108.4° | 109.5° |
| C7 | C1 | C2 | 122.5° | 120.0° |
| C7 | C1 | C6 | 119.4° | 120.0° |
| C1 | C7 | H4 | 108.4° | 109.5° |
| C1 | C7 | H5 | 108.4° | 109.4° |
| C1 | C2 | C3 | 121.9° | 120.0° |
| C2 | C1 | C6 | 117.8° | 120.0° |
| C1 | C2 | H1 | 119.1° | 120.0° |
| C2 | C3 | C4 | 119.0° | 120.0° |
| C3 | C2 | H1 | 119.1° | 120.0° |
| C2 | C3 | H2 | 120.5° | 120.0° |
| C1 | C6 | C5 | 118.8° | 120.0° |
| C1 | C6 | H10 | 120.6° | 120.0° |
| C3 | C4 | C5 | 117.6° | 120.0° |
| C3 | C4 | C8 | 120.4° | 120.0° |
| C4 | C3 | H2 | 120.5° | 120.0° |
| C6 | C5 | C4 | 124.5° | 120.0° |
| C6 | C5 | H9 | 117.8° | 120.0° |
| C5 | C6 | H10 | 120.6° | 120.0° |
| C5 | C4 | C8 | 121.7° | 120.0° |
| C4 | C5 | H9 | 117.8° | 120.1° |
| C4 | C8 | H6 | 109.5° | 109.5° |
| C4 | C8 | H7 | 109.5° | 109.5° |
| C4 | C8 | H8 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.6° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H6 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C7 | C1 | H4 | 120.6° | 120.0° |
| O1 | C7 | C1 | H5 | 120.7° | 120.0° |
| O1 | C7 | C1 | C2 | 62.1° | 90.3° |
| O1 | C7 | C1 | C6 | 112.5° | 90.0° |
| O1 | C7 | H4 | H5 | 118.0° | 120.1° |
| C7 | C1 | C2 | C6 | 174.7° | 179.7° |
| C7 | C1 | C2 | C3 | 178.7° | 179.7° |
| C7 | C1 | C6 | C5 | 179.5° | 179.7° |
| C7 | C1 | C2 | H1 | 1.3° | 0.3° |
| C1 | C7 | O1 | H3 | 180.0° | 180.0° |
| C1 | C7 | H4 | H5 | 118.0° | 120.0° |
| C7 | C1 | C6 | H10 | 0.6° | 0.3° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 3.4° | 0.0° |
| C2 | C1 | C6 | C5 | 5.7° | 0.0° |
| C1 | C2 | C3 | H2 | 176.6° | 180.0° |
| C2 | C1 | C7 | H4 | 58.5° | 29.7° |
| C2 | C1 | C7 | H5 | 177.3° | 149.7° |
| C2 | C1 | C6 | H10 | 174.3° | 180.0° |
| C3 | C2 | C1 | C6 | 4.0° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 4.5° | 0.0° |
| C2 | C3 | C4 | C8 | 179.1° | 179.9° |
| C1 | C6 | C5 | H10 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 7.5° | 0.0° |
| C6 | C1 | C2 | H1 | 176.0° | 180.0° |
| C6 | C1 | C7 | H4 | 126.9° | 150.0° |
| C6 | C1 | C7 | H5 | 8.2° | 30.0° |
| C1 | C6 | C5 | H9 | 172.5° | 179.9° |
| C3 | C4 | C5 | C6 | 6.7° | 0.0° |
| C3 | C4 | C5 | C8 | 174.6° | 179.9° |
| C4 | C3 | C2 | H1 | 176.6° | 180.0° |
| C3 | C4 | C8 | H6 | 87.3° | 90.0° |
| C3 | C4 | C8 | H7 | 152.7° | 150.0° |
| C3 | C4 | C8 | H8 | 32.7° | 30.1° |
| C3 | C4 | C5 | H9 | 173.3° | 179.9° |
| C6 | C5 | C4 | H9 | 180.0° | 180.0° |
| C6 | C5 | C4 | C8 | 178.7° | 180.0° |
| C5 | C4 | C3 | H2 | 175.5° | 180.0° |
| C5 | C4 | C8 | H6 | 87.1° | 90.0° |
| C5 | C4 | C8 | H7 | 32.9° | 30.1° |
| C5 | C4 | C8 | H8 | 152.8° | 150.0° |
| C4 | C5 | C6 | H10 | 172.5° | 179.9° |
| C8 | C4 | C3 | H2 | 0.8° | 0.0° |
| C4 | C8 | H6 | H7 | 120.0° | 120.0° |
| C4 | C8 | H6 | H8 | 120.0° | 120.0° |
| C4 | C8 | H7 | H8 | 120.0° | 119.9° |
| C8 | C4 | C5 | H9 | 1.3° | 0.0° |
| H1 | C2 | C3 | H2 | 3.4° | 0.0° |
| H3 | O1 | C7 | H4 | 59.4° | 60.1° |
| H3 | O1 | C7 | H5 | 59.4° | 60.0° |
| H6 | C8 | H7 | H8 | 120.0° | 120.0° |
| H9 | C5 | C6 | H10 | 7.5° | 0.1° |
