N36
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.36Å | |
| C7 | O3 | sing | 1.36Å | 1.37Å | |
| O3 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å | |
| C5 | O2 | doub | 1.21Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 119.7° | 120.1° |
| C5 | C4 | C6 | 120.8° | 120.1° |
| C4 | C5 | H3 | 123.4° | 119.9° |
| C4 | C5 | O2 | 113.2° | 120.0° |
| C4 | C3 | C2 | 120.8° | 120.0° |
| C3 | C4 | C6 | 119.5° | 119.8° |
| C4 | C3 | H2 | 119.6° | 120.0° |
| C3 | C2 | C1 | 119.8° | 120.2° |
| C3 | C2 | H1 | 120.1° | 119.9° |
| C2 | C3 | H2 | 119.6° | 120.1° |
| C4 | C6 | C7 | 120.3° | 119.8° |
| C4 | C6 | H6 | 119.9° | 120.1° |
| C2 | C1 | C7 | 120.2° | 120.2° |
| C2 | C1 | O1 | 119.1° | 120.0° |
| C1 | C2 | H1 | 120.1° | 119.9° |
| C6 | C7 | C1 | 119.5° | 120.0° |
| C6 | C7 | O3 | 125.8° | 120.0° |
| C7 | C6 | H6 | 119.9° | 120.1° |
| C7 | C1 | O1 | 120.8° | 119.9° |
| C1 | C7 | O3 | 114.6° | 120.0° |
| C1 | O1 | H12 | 109.5° | 114.0° |
| C7 | O3 | C8 | 118.3° | 117.0° |
| O3 | C8 | C9 | 107.9° | 109.4° |
| O3 | C8 | H7 | 109.8° | 109.5° |
| O3 | C8 | H8 | 109.9° | 109.4° |
| C9 | C8 | H7 | 109.9° | 109.5° |
| C9 | C8 | H8 | 109.9° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H10 | 109.5° | 109.5° |
| C8 | C9 | H11 | 109.5° | 109.4° |
| H3 | C5 | O2 | 123.4° | 120.1° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H9 | C9 | H11 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | C6 | 179.8° | 179.9° |
| C5 | C4 | C3 | C2 | 179.8° | 180.0° |
| C5 | C4 | C6 | C7 | 179.5° | 180.0° |
| C5 | C4 | C3 | H2 | 0.1° | 0.1° |
| C4 | C5 | H3 | O2 | 180.0° | 179.9° |
| C5 | C4 | C6 | H6 | 0.5° | 0.1° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.0° | 0.1° |
| C3 | C4 | C6 | C7 | 0.7° | 0.1° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | H3 | 176.2° | 0.0° |
| C3 | C4 | C6 | H6 | 179.2° | 180.0° |
| C3 | C4 | C5 | O2 | 3.8° | 180.0° |
| C2 | C3 | C4 | C6 | 0.1° | 0.1° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C7 | 0.5° | 0.1° |
| C3 | C2 | C1 | O1 | 179.9° | 179.7° |
| C4 | C6 | C7 | H6 | 180.0° | 179.9° |
| C4 | C6 | C7 | C1 | 1.3° | 0.1° |
| C4 | C6 | C7 | O3 | 180.0° | 179.8° |
| C6 | C4 | C3 | H2 | 179.9° | 180.0° |
| C6 | C4 | C5 | H3 | 4.0° | 180.0° |
| C6 | C4 | C5 | O2 | 176.0° | 0.1° |
| C2 | C1 | C7 | C6 | 1.2° | 0.1° |
| C2 | C1 | C7 | O1 | 179.5° | 179.8° |
| C2 | C1 | C7 | O3 | 179.9° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | O1 | H12 | 180.0° | 89.7° |
| C6 | C7 | C1 | O3 | 178.9° | 179.7° |
| C6 | C7 | C1 | O1 | 179.3° | 179.7° |
| C6 | C7 | O3 | C8 | 9.3° | 0.3° |
| C1 | C7 | O3 | C8 | 169.5° | 180.0° |
| C7 | C1 | C2 | H1 | 179.4° | 180.0° |
| C1 | C7 | C6 | H6 | 178.7° | 180.0° |
| C7 | C1 | O1 | H12 | 0.5° | 90.0° |
| O1 | C1 | C7 | O3 | 0.4° | 0.0° |
| O1 | C1 | C2 | H1 | 0.1° | 0.3° |
| C7 | O3 | C8 | C9 | 163.6° | 180.0° |
| O3 | C7 | C6 | H6 | 0.0° | 0.3° |
| C7 | O3 | C8 | H7 | 43.9° | 60.0° |
| C7 | O3 | C8 | H8 | 76.6° | 60.1° |
| O3 | C8 | C9 | H7 | 119.7° | 120.0° |
| O3 | C8 | C9 | H8 | 119.7° | 119.9° |
| O3 | C8 | H7 | H8 | 120.7° | 120.0° |
| O3 | C8 | C9 | H9 | 180.0° | 60.0° |
| O3 | C8 | C9 | H10 | 60.0° | 60.0° |
| O3 | C8 | C9 | H11 | 60.0° | 179.9° |
| C9 | C8 | H7 | H8 | 120.8° | 120.0° |
| C8 | C9 | H9 | H10 | 120.0° | 120.0° |
| C8 | C9 | H9 | H11 | 120.0° | 120.0° |
| C8 | C9 | H10 | H11 | 120.0° | 119.9° |
| H1 | C2 | C3 | H2 | 0.0° | 0.1° |
| H7 | C8 | C9 | H9 | 60.3° | 60.0° |
| H7 | C8 | C9 | H10 | 179.7° | 180.0° |
| H7 | C8 | C9 | H11 | 59.7° | 60.1° |
| H8 | C8 | C9 | H9 | 60.2° | 180.0° |
| H8 | C8 | C9 | H10 | 59.8° | 59.9° |
| H8 | C8 | C9 | H11 | 179.7° | 60.0° |
| H9 | C9 | H10 | H11 | 120.0° | 120.0° |
