16Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.36Å | |
| C1 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| O7 | C8 | sing | 1.43Å | 1.40Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 120.3° | 120.1° |
| C3 | C2 | C1 | 119.4° | 119.9° |
| C3 | C2 | H6 | 120.3° | 120.0° |
| C2 | C3 | H10 | 119.8° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.1° |
| C3 | C4 | H9 | 120.1° | 120.0° |
| C4 | C3 | H10 | 119.8° | 119.9° |
| C2 | C1 | O7 | 117.4° | 120.0° |
| C2 | C1 | C6 | 121.3° | 119.9° |
| C1 | C2 | H6 | 120.3° | 120.0° |
| C4 | C5 | C6 | 120.6° | 120.1° |
| C4 | C5 | H8 | 119.7° | 120.0° |
| C5 | C4 | H9 | 120.1° | 119.9° |
| O7 | C1 | C6 | 121.3° | 120.1° |
| C1 | O7 | C8 | 124.2° | 117.0° |
| C1 | C6 | C5 | 118.5° | 119.9° |
| C1 | C6 | H7 | 120.7° | 120.0° |
| O7 | C8 | C9 | 109.1° | 109.5° |
| O7 | C8 | H4 | 109.5° | 109.5° |
| O7 | C8 | H5 | 109.6° | 109.4° |
| C5 | C6 | H7 | 120.7° | 120.1° |
| C6 | C5 | H8 | 119.7° | 119.9° |
| C8 | C9 | H1 | 109.5° | 109.5° |
| C8 | C9 | H2 | 109.5° | 109.5° |
| C8 | C9 | H3 | 109.4° | 109.5° |
| C9 | C8 | H4 | 109.6° | 109.5° |
| C9 | C8 | H5 | 109.5° | 109.5° |
| H1 | C9 | H2 | 109.5° | 109.4° |
| H1 | C9 | H3 | 109.5° | 109.5° |
| H2 | C9 | H3 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H10 | 180.0° | 179.9° |
| C3 | C2 | C1 | H6 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.8° | 0.3° |
| C3 | C2 | C1 | O7 | 179.5° | 180.0° |
| C3 | C2 | C1 | C6 | 2.6° | 0.3° |
| C2 | C3 | C4 | H9 | 178.2° | 180.0° |
| C4 | C3 | C2 | C1 | 2.3° | 0.0° |
| C3 | C4 | C5 | H9 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 1.4° | 0.3° |
| C4 | C3 | C2 | H6 | 177.6° | 179.9° |
| C3 | C4 | C5 | H8 | 178.6° | 179.7° |
| C2 | C1 | O7 | C6 | 177.9° | 179.7° |
| C2 | C1 | O7 | C8 | 164.4° | 0.4° |
| C2 | C1 | C6 | C5 | 2.2° | 0.3° |
| C2 | C1 | C6 | H7 | 177.8° | 179.7° |
| C1 | C2 | C3 | H10 | 177.7° | 179.9° |
| C4 | C5 | C6 | C1 | 1.6° | 0.0° |
| C4 | C5 | C6 | H8 | 180.0° | 180.0° |
| C4 | C5 | C6 | H7 | 178.4° | 180.0° |
| C5 | C4 | C3 | H10 | 178.2° | 179.8° |
| O7 | C1 | C6 | C5 | 179.9° | 180.0° |
| C1 | O7 | C8 | C9 | 23.1° | 180.0° |
| C1 | O7 | C8 | H4 | 96.9° | 59.9° |
| C1 | O7 | C8 | H5 | 143.0° | 60.1° |
| O7 | C1 | C2 | H6 | 0.5° | 0.1° |
| O7 | C1 | C6 | H7 | 0.1° | 0.0° |
| C6 | C1 | O7 | C8 | 17.7° | 180.0° |
| C1 | C6 | C5 | H7 | 180.0° | 180.0° |
| C6 | C1 | C2 | H6 | 177.4° | 179.8° |
| C1 | C6 | C5 | H8 | 178.4° | 180.0° |
| O7 | C8 | C9 | H4 | 119.9° | 120.1° |
| O7 | C8 | C9 | H5 | 119.9° | 119.9° |
| O7 | C8 | C9 | H1 | 180.0° | 60.0° |
| O7 | C8 | C9 | H2 | 60.0° | 59.9° |
| O7 | C8 | C9 | H3 | 60.0° | 180.0° |
| O7 | C8 | H4 | H5 | 120.2° | 119.9° |
| C6 | C5 | C4 | H9 | 178.6° | 180.0° |
| C8 | C9 | H1 | H2 | 120.0° | 120.0° |
| C8 | C9 | H1 | H3 | 120.0° | 120.0° |
| C8 | C9 | H2 | H3 | 120.0° | 120.0° |
| C9 | C8 | H4 | H5 | 120.1° | 120.0° |
| H1 | C9 | H2 | H3 | 120.0° | 120.0° |
| H1 | C9 | C8 | H4 | 60.0° | 60.0° |
| H1 | C9 | C8 | H5 | 60.1° | 180.0° |
| H2 | C9 | C8 | H4 | 179.9° | 180.0° |
| H2 | C9 | C8 | H5 | 59.9° | 60.0° |
| H3 | C9 | C8 | H4 | 59.9° | 60.0° |
| H3 | C9 | C8 | H5 | 179.9° | 60.0° |
| H6 | C2 | C3 | H10 | 2.3° | 0.0° |
| H7 | C6 | C5 | H8 | 1.6° | 0.0° |
| H8 | C5 | C4 | H9 | 1.4° | 0.0° |
| H9 | C4 | C3 | H10 | 1.7° | 0.1° |
