N0D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C8 | sing | 1.51Å | 1.50Å | |
| C5 | O1 | sing | 1.36Å | 1.37Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C7 | 121.6° | 120.0° |
| C1 | C2 | C3 | 121.0° | 119.9° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.4° | 109.5° |
| C2 | C1 | H6 | 109.4° | 109.5° |
| C7 | C2 | C3 | 117.4° | 120.1° |
| C2 | C7 | C6 | 121.6° | 120.1° |
| C2 | C7 | H9 | 119.2° | 120.0° |
| C2 | C3 | C4 | 122.8° | 120.1° |
| C2 | C3 | H7 | 118.6° | 120.0° |
| C7 | C6 | C5 | 119.8° | 119.9° |
| C7 | C6 | H8 | 120.1° | 120.1° |
| C6 | C7 | H9 | 119.2° | 119.9° |
| C3 | C4 | C5 | 118.0° | 119.9° |
| C3 | C4 | C8 | 121.0° | 120.0° |
| C4 | C3 | H7 | 118.6° | 119.9° |
| C6 | C5 | C4 | 120.5° | 119.9° |
| C6 | C5 | O1 | 120.6° | 120.0° |
| C5 | C6 | H8 | 120.1° | 120.0° |
| C5 | C4 | C8 | 121.0° | 120.1° |
| C4 | C5 | O1 | 118.9° | 120.0° |
| C4 | C8 | H1 | 109.5° | 109.4° |
| C4 | C8 | H2 | 109.5° | 109.4° |
| C4 | C8 | H3 | 109.5° | 109.5° |
| C5 | O1 | H10 | 109.5° | 114.0° |
| H1 | C8 | H2 | 109.5° | 109.5° |
| H1 | C8 | H3 | 109.5° | 109.5° |
| H2 | C8 | H3 | 109.4° | 109.6° |
| H4 | C1 | H5 | 109.5° | 109.4° |
| H4 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C7 | C3 | 180.0° | 179.8° |
| C1 | C2 | C7 | C6 | 179.5° | 179.7° |
| C1 | C2 | C3 | C4 | 178.5° | 180.0° |
| C2 | C1 | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | H4 | H6 | 120.0° | 120.1° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C1 | C2 | C3 | H7 | 1.5° | 0.0° |
| C1 | C2 | C7 | H9 | 0.5° | 0.0° |
| C2 | C7 | C6 | H9 | 180.0° | 179.7° |
| C7 | C2 | C3 | C4 | 1.5° | 0.2° |
| C2 | C7 | C6 | C5 | 0.0° | 0.5° |
| C7 | C2 | C1 | H4 | 90.0° | 90.0° |
| C7 | C2 | C1 | H5 | 150.0° | 150.0° |
| C7 | C2 | C1 | H6 | 30.0° | 30.0° |
| C7 | C2 | C3 | H7 | 178.5° | 179.7° |
| C2 | C7 | C6 | H8 | 180.0° | 179.7° |
| C3 | C2 | C7 | C6 | 0.5° | 0.5° |
| C2 | C3 | C4 | H7 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.9° | 0.0° |
| C2 | C3 | C4 | C8 | 179.8° | 180.0° |
| C3 | C2 | C1 | H4 | 90.0° | 89.7° |
| C3 | C2 | C1 | H5 | 30.0° | 30.2° |
| C3 | C2 | C1 | H6 | 150.0° | 150.2° |
| C3 | C2 | C7 | H9 | 179.5° | 179.8° |
| C7 | C6 | C5 | H8 | 180.0° | 179.8° |
| C7 | C6 | C5 | C4 | 0.4° | 0.2° |
| C7 | C6 | C5 | O1 | 179.5° | 179.8° |
| C3 | C4 | C5 | C6 | 1.3° | 0.0° |
| C3 | C4 | C5 | C8 | 178.3° | 179.9° |
| C3 | C4 | C5 | O1 | 178.7° | 179.9° |
| C3 | C4 | C8 | H1 | 90.9° | 90.0° |
| C3 | C4 | C8 | H2 | 149.1° | 150.0° |
| C3 | C4 | C8 | H3 | 29.2° | 29.9° |
| C6 | C5 | C4 | O1 | 179.9° | 180.0° |
| C6 | C5 | C4 | C8 | 179.6° | 180.0° |
| C5 | C6 | C7 | H9 | 180.0° | 179.8° |
| C6 | C5 | O1 | H10 | 180.0° | 90.0° |
| C5 | C4 | C8 | H1 | 90.9° | 90.0° |
| C5 | C4 | C8 | H2 | 29.1° | 29.9° |
| C5 | C4 | C8 | H3 | 149.1° | 150.0° |
| C5 | C4 | C3 | H7 | 178.1° | 180.0° |
| C4 | C5 | C6 | H8 | 179.6° | 180.0° |
| C4 | C5 | O1 | H10 | 0.1° | 90.0° |
| C8 | C4 | C5 | O1 | 0.4° | 0.0° |
| C4 | C8 | H1 | H2 | 120.0° | 119.9° |
| C4 | C8 | H1 | H3 | 120.0° | 120.0° |
| C4 | C8 | H2 | H3 | 120.0° | 120.0° |
| C8 | C4 | C3 | H7 | 0.1° | 0.1° |
| O1 | C5 | C6 | H8 | 0.5° | 0.0° |
| H1 | C8 | H2 | H3 | 119.9° | 120.0° |
| H4 | C1 | H5 | H6 | 120.0° | 120.0° |
| H8 | C6 | C7 | H9 | 0.0° | 0.0° |
