HNL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C4 | sing | 1.32Å | 1.39Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C5 | doub | 1.38Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C7 | sing | 1.51Å | 1.49Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.39Å | 1.36Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | O6 | sing | 1.36Å | 1.25Å | |
| O6 | H16 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.54Å | 1.52Å | |
| C7 | N11 | sing | 1.47Å | 1.47Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.55Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | N11 | sing | 1.48Å | 1.47Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| N11 | C12 | sing | 1.47Å | 1.47Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N1 | C6 | 120.7° | 121.7° |
| N1 | C4 | C3 | 118.2° | 120.9° |
| N1 | C4 | H4 | 120.9° | 119.6° |
| N1 | C6 | C5 | 120.0° | 120.6° |
| N1 | C6 | O6 | 119.8° | 119.7° |
| C3 | C2 | C5 | 121.2° | 118.5° |
| C3 | C2 | H2 | 119.4° | 120.8° |
| C2 | C3 | C4 | 119.5° | 119.3° |
| C2 | C3 | C7 | 118.8° | 120.4° |
| C5 | C2 | H2 | 119.4° | 120.7° |
| C2 | C5 | C6 | 120.4° | 119.1° |
| C2 | C5 | H5 | 119.8° | 120.5° |
| C4 | C3 | C7 | 121.7° | 120.4° |
| C3 | C4 | H4 | 120.9° | 119.5° |
| C3 | C7 | C8 | 115.1° | 109.9° |
| C3 | C7 | N11 | 110.5° | 109.8° |
| C3 | C7 | H7 | 103.3° | 109.8° |
| C6 | C5 | H5 | 119.8° | 120.4° |
| C5 | C6 | O6 | 120.2° | 119.7° |
| C6 | O6 | H16 | 109.5° | 114.0° |
| C8 | C7 | N11 | 104.2° | 107.3° |
| C8 | C7 | H7 | 109.7° | 109.9° |
| C7 | C8 | C9 | 103.8° | 103.0° |
| C7 | C8 | H8 | 111.4° | 110.7° |
| C7 | C8 | H8A | 111.4° | 110.7° |
| N11 | C7 | H7 | 114.3° | 110.0° |
| C7 | N11 | C10 | 105.8° | 108.5° |
| C7 | N11 | C12 | 111.3° | 111.0° |
| C9 | C8 | H8 | 111.4° | 110.7° |
| C9 | C8 | H8A | 111.4° | 110.7° |
| C8 | C9 | C10 | 106.5° | 101.7° |
| C8 | C9 | H9 | 110.5° | 110.9° |
| C8 | C9 | H9A | 110.5° | 111.0° |
| H8 | C8 | H8A | 107.4° | 110.8° |
| C10 | C9 | H9 | 110.5° | 111.0° |
| C10 | C9 | H9A | 110.4° | 111.0° |
| C9 | C10 | N11 | 105.2° | 104.8° |
| C9 | C10 | H10 | 110.9° | 110.4° |
| C9 | C10 | H10A | 110.9° | 110.4° |
| H9 | C9 | H9A | 108.5° | 110.9° |
| N11 | C10 | H10 | 110.9° | 110.3° |
| N11 | C10 | H10A | 110.9° | 110.3° |
| C10 | N11 | C12 | 111.6° | 111.0° |
| H10 | C10 | H10A | 108.0° | 110.5° |
| N11 | C12 | H12 | 109.5° | 109.4° |
| N11 | C12 | H12A | 109.5° | 109.5° |
| N11 | C12 | H12B | 109.4° | 109.5° |
| H12 | C12 | H12A | 109.4° | 109.6° |
| H12 | C12 | H12B | 109.5° | 109.4° |
| H12A | C12 | H12B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C4 | C3 | C2 | 0.8° | 0.0° |
| N1 | C4 | C3 | H4 | 180.0° | 180.0° |
| N1 | C4 | C3 | C7 | 179.3° | 179.9° |
| C4 | N1 | C6 | C5 | 0.8° | 0.0° |
| C4 | N1 | C6 | O6 | 179.9° | 180.0° |
| N1 | C6 | C5 | C2 | 0.2° | 0.0° |
| C6 | N1 | C4 | C3 | 1.1° | 0.1° |
| C6 | N1 | C4 | H4 | 178.9° | 179.9° |
| N1 | C6 | C5 | O6 | 179.1° | 179.9° |
| N1 | C6 | C5 | H5 | 179.8° | 179.9° |
| N1 | C6 | O6 | H16 | 0.0° | 90.0° |
| C3 | C2 | C5 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C7 | 178.5° | 179.9° |
| C2 | C3 | C4 | H4 | 179.2° | 180.0° |
| C3 | C2 | C5 | C6 | 0.1° | 0.0° |
| C3 | C2 | C5 | H5 | 179.9° | 179.9° |
| C2 | C3 | C7 | C8 | 136.0° | 100.0° |
| C2 | C3 | C7 | N11 | 106.2° | 142.3° |
| C2 | C3 | C7 | H7 | 16.5° | 21.1° |
| C5 | C2 | C3 | C4 | 0.3° | 0.0° |
| C5 | C2 | C3 | C7 | 178.8° | 179.9° |
| C2 | C5 | C6 | H5 | 180.0° | 179.9° |
| C2 | C5 | C6 | O6 | 179.3° | 179.9° |
| H2 | C2 | C3 | C4 | 179.7° | 180.0° |
| H2 | C2 | C3 | C7 | 1.2° | 0.1° |
| H2 | C2 | C5 | C6 | 179.9° | 180.0° |
| H2 | C2 | C5 | H5 | 0.1° | 0.1° |
| C4 | C3 | C7 | C8 | 45.4° | 79.9° |
| C4 | C3 | C7 | N11 | 72.3° | 37.8° |
| C4 | C3 | C7 | H7 | 165.0° | 159.0° |
| C7 | C3 | C4 | H4 | 0.7° | 0.1° |
| C3 | C7 | C8 | N11 | 121.2° | 119.4° |
| C3 | C7 | C8 | H7 | 116.0° | 121.0° |
| C3 | C7 | N11 | H7 | 116.1° | 121.0° |
| C3 | C7 | C8 | C9 | 152.7° | 141.7° |
| C3 | C7 | C8 | H8 | 32.6° | 23.3° |
| C3 | C7 | C8 | H8A | 87.3° | 99.9° |
| C3 | C7 | N11 | C10 | 163.5° | 118.5° |
| C3 | C7 | N11 | C12 | 75.1° | 119.3° |
| C5 | C6 | O6 | H16 | 179.1° | 90.0° |
| H5 | C5 | C6 | O6 | 0.7° | 0.0° |
| C8 | C7 | N11 | H7 | 119.7° | 119.5° |
| C7 | C8 | C9 | H8 | 120.0° | 118.4° |
| C7 | C8 | C9 | H8A | 120.0° | 118.3° |
| C7 | C8 | H8 | H8A | 122.3° | 123.2° |
| C7 | C8 | C9 | C10 | 12.6° | 35.7° |
| C7 | C8 | C9 | H9 | 132.6° | 153.8° |
| C7 | C8 | C9 | H9A | 107.3° | 82.5° |
| C8 | C7 | N11 | C10 | 39.3° | 1.0° |
| C8 | C7 | N11 | C12 | 160.7° | 121.3° |
| N11 | C7 | C8 | C9 | 31.5° | 22.3° |
| N11 | C7 | C8 | H8 | 88.6° | 96.1° |
| N11 | C7 | C8 | H8A | 151.5° | 140.7° |
| C7 | N11 | C10 | C9 | 30.9° | 24.1° |
| C7 | N11 | C10 | C12 | 121.2° | 122.3° |
| C7 | N11 | C10 | H10 | 150.9° | 94.8° |
| C7 | N11 | C10 | H10A | 89.1° | 142.9° |
| C7 | N11 | C12 | H12 | 180.0° | 60.0° |
| C7 | N11 | C12 | H12A | 60.0° | 179.9° |
| C7 | N11 | C12 | H12B | 60.0° | 60.0° |
| H7 | C7 | C8 | C9 | 91.4° | 97.3° |
| H7 | C7 | C8 | H8 | 148.6° | 144.3° |
| H7 | C7 | C8 | H8A | 28.6° | 21.1° |
| H7 | C7 | N11 | C10 | 80.4° | 120.5° |
| H7 | C7 | N11 | C12 | 41.0° | 1.8° |
| C9 | C8 | H8 | H8A | 122.3° | 123.2° |
| C8 | C9 | C10 | H9 | 120.0° | 118.0° |
| C8 | C9 | C10 | H9A | 120.0° | 118.1° |
| C8 | C9 | H9 | H9A | 121.2° | 123.8° |
| C8 | C9 | C10 | N11 | 10.6° | 37.1° |
| C8 | C9 | C10 | H10 | 130.6° | 81.7° |
| C8 | C9 | C10 | H10A | 109.4° | 155.9° |
| H8 | C8 | C9 | C10 | 107.4° | 82.7° |
| H8 | C8 | C9 | H9 | 12.6° | 35.4° |
| H8 | C8 | C9 | H9A | 132.7° | 159.1° |
| H8A | C8 | C9 | C10 | 132.6° | 154.0° |
| H8A | C8 | C9 | H9 | 107.4° | 87.9° |
| H8A | C8 | C9 | H9A | 12.7° | 35.9° |
| C10 | C9 | H9 | H9A | 121.2° | 123.9° |
| C9 | C10 | N11 | H10 | 120.0° | 118.8° |
| C9 | C10 | N11 | H10A | 120.0° | 118.8° |
| C9 | C10 | H10 | H10A | 121.7° | 122.4° |
| C9 | C10 | N11 | C12 | 152.1° | 98.2° |
| H9 | C9 | C10 | N11 | 109.4° | 155.1° |
| H9 | C9 | C10 | H10 | 10.6° | 36.3° |
| H9 | C9 | C10 | H10A | 130.6° | 86.1° |
| H9A | C9 | C10 | N11 | 130.6° | 81.0° |
| H9A | C9 | C10 | H10 | 109.4° | 160.2° |
| H9A | C9 | C10 | H10A | 10.6° | 37.8° |
| N11 | C10 | H10 | H10A | 121.8° | 122.3° |
| C10 | N11 | C12 | H12 | 62.1° | 179.2° |
| C10 | N11 | C12 | H12A | 57.9° | 59.1° |
| C10 | N11 | C12 | H12B | 178.0° | 60.9° |
| H10 | C10 | N11 | C12 | 87.9° | 143.0° |
| H10A | C10 | N11 | C12 | 32.1° | 20.6° |
| N11 | C12 | H12 | H12A | 120.0° | 120.0° |
| N11 | C12 | H12 | H12B | 120.0° | 120.0° |
| N11 | C12 | H12A | H12B | 120.0° | 120.0° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
