V9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | O3 | doub | 1.21Å | 1.21Å | |
| C8 | C2 | sing | 1.47Å | 1.46Å | |
| C3 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.36Å | |
| C1 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | O2 | sing | 1.36Å | 1.39Å | |
| O2 | C7 | sing | 1.43Å | 1.45Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C8 | C2 | 121.4° | 120.0° |
| O3 | C8 | H8 | 119.3° | 120.0° |
| C8 | C2 | C3 | 118.8° | 120.2° |
| C8 | C2 | C1 | 120.8° | 120.2° |
| C2 | C8 | H8 | 119.3° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C3 | C2 | C1 | 120.4° | 119.6° |
| C2 | C3 | H2 | 119.7° | 120.0° |
| C3 | C4 | C5 | 119.0° | 120.4° |
| C4 | C3 | H2 | 119.7° | 120.0° |
| C3 | C4 | H3 | 120.5° | 119.8° |
| C2 | C1 | O1 | 119.8° | 120.2° |
| C2 | C1 | C6 | 119.1° | 119.6° |
| C4 | C5 | C6 | 123.3° | 120.4° |
| C5 | C4 | H3 | 120.5° | 119.8° |
| C4 | C5 | H4 | 118.4° | 119.8° |
| O1 | C1 | C6 | 120.9° | 120.2° |
| C1 | O1 | H1 | 109.5° | 114.1° |
| C1 | C6 | C5 | 117.1° | 120.0° |
| C1 | C6 | O2 | 121.5° | 120.0° |
| C5 | C6 | O2 | 121.0° | 120.0° |
| C6 | C5 | H4 | 118.4° | 119.8° |
| C6 | O2 | C7 | 123.0° | 117.0° |
| O2 | C7 | H5 | 109.5° | 109.5° |
| O2 | C7 | H6 | 109.5° | 109.5° |
| O2 | C7 | H7 | 109.4° | 109.4° |
| H5 | C7 | H6 | 109.4° | 109.5° |
| H5 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C8 | C2 | H8 | 180.0° | 179.9° |
| O3 | C8 | C2 | C3 | 179.2° | 0.0° |
| O3 | C8 | C2 | C1 | 1.1° | 180.0° |
| C8 | C2 | C3 | C1 | 179.7° | 180.0° |
| C8 | C2 | C3 | C4 | 177.7° | 180.0° |
| C8 | C2 | C1 | O1 | 0.4° | 0.1° |
| C8 | C2 | C1 | C6 | 176.1° | 179.8° |
| C8 | C2 | C3 | H2 | 2.3° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 4.0° | 0.1° |
| C3 | C2 | C1 | O1 | 179.9° | 180.0° |
| C3 | C2 | C1 | C6 | 4.3° | 0.3° |
| C2 | C3 | C4 | H3 | 176.0° | 180.0° |
| C3 | C2 | C8 | H8 | 0.8° | 179.9° |
| C4 | C3 | C2 | C1 | 2.0° | 0.1° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C3 | C4 | C5 | H4 | 179.7° | 179.9° |
| C2 | C1 | O1 | C6 | 175.5° | 179.7° |
| C2 | C1 | C6 | C5 | 8.2° | 0.5° |
| C2 | C1 | C6 | O2 | 179.0° | 179.7° |
| C2 | C1 | O1 | H1 | 0.0° | 89.7° |
| C1 | C2 | C3 | H2 | 178.0° | 180.0° |
| C1 | C2 | C8 | H8 | 178.9° | 0.0° |
| C4 | C5 | C6 | C1 | 6.4° | 0.5° |
| C4 | C5 | C6 | H4 | 180.0° | 179.8° |
| C4 | C5 | C6 | O2 | 179.2° | 179.7° |
| C5 | C4 | C3 | H2 | 176.0° | 180.0° |
| O1 | C1 | C6 | C5 | 176.2° | 179.8° |
| O1 | C1 | C6 | O2 | 3.5° | 0.0° |
| C1 | C6 | C5 | O2 | 172.8° | 179.8° |
| C1 | C6 | O2 | C7 | 19.7° | 180.0° |
| C6 | C1 | O1 | H1 | 175.5° | 90.0° |
| C1 | C6 | C5 | H4 | 173.6° | 179.7° |
| C5 | C6 | O2 | C7 | 167.9° | 0.2° |
| C6 | C5 | C4 | H3 | 179.7° | 179.7° |
| O2 | C6 | C5 | H4 | 0.8° | 0.1° |
| C6 | O2 | C7 | H5 | 180.0° | 60.0° |
| C6 | O2 | C7 | H6 | 60.0° | 60.0° |
| C6 | O2 | C7 | H7 | 60.0° | 180.0° |
| O2 | C7 | H5 | H6 | 120.0° | 120.0° |
| O2 | C7 | H5 | H7 | 120.0° | 119.9° |
| O2 | C7 | H6 | H7 | 120.0° | 119.9° |
| H2 | C3 | C4 | H3 | 4.0° | 0.0° |
| H3 | C4 | C5 | H4 | 0.3° | 0.0° |
| H5 | C7 | H6 | H7 | 120.0° | 120.0° |
