LR9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C9 | sing | 1.40Å | 1.39Å | |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.50Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| O1 | C4 | doub | 1.22Å | 1.23Å | |
| C4 | N1 | sing | 1.35Å | 1.35Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C2 | sing | 1.46Å | 1.47Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C9 | C10 | 120.5° | 120.0° |
| N2 | C9 | C8 | 120.3° | 120.1° |
| C9 | N2 | H13 | 109.5° | 120.0° |
| C9 | N2 | H14 | 109.4° | 119.9° |
| C10 | C9 | C8 | 119.1° | 120.0° |
| C9 | C10 | C5 | 120.2° | 119.8° |
| C9 | C10 | H4 | 119.9° | 120.1° |
| C9 | C8 | C7 | 120.5° | 120.3° |
| C9 | C8 | H3 | 119.7° | 119.9° |
| C10 | C5 | C4 | 120.0° | 120.1° |
| C10 | C5 | C6 | 119.7° | 119.8° |
| C5 | C10 | H4 | 119.9° | 120.1° |
| C8 | C7 | C6 | 120.2° | 120.2° |
| C8 | C7 | H2 | 119.9° | 119.9° |
| C7 | C8 | H3 | 119.7° | 119.9° |
| C4 | C5 | C6 | 120.1° | 120.1° |
| C5 | C4 | O1 | 118.8° | 120.0° |
| C5 | C4 | N1 | 119.4° | 120.0° |
| C5 | C6 | C7 | 120.3° | 120.0° |
| C5 | C6 | H1 | 119.8° | 120.0° |
| O1 | C4 | N1 | 121.6° | 119.9° |
| C4 | N1 | C2 | 123.2° | 120.0° |
| C4 | N1 | C3 | 119.5° | 119.9° |
| C1 | C2 | N1 | 113.4° | 109.5° |
| C2 | C1 | H5 | 109.5° | 109.4° |
| C2 | C1 | H6 | 109.5° | 109.4° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C1 | C2 | H8 | 108.5° | 109.4° |
| C1 | C2 | H9 | 108.5° | 109.4° |
| C7 | C6 | H1 | 119.8° | 120.0° |
| C6 | C7 | H2 | 119.9° | 119.9° |
| C2 | N1 | C3 | 117.2° | 120.0° |
| N1 | C2 | H8 | 108.5° | 109.5° |
| N1 | C2 | H9 | 108.5° | 109.5° |
| N1 | C3 | H10 | 109.5° | 109.5° |
| N1 | C3 | H11 | 109.4° | 109.5° |
| N1 | C3 | H12 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.4° | 109.4° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | C2 | H9 | 109.4° | 109.4° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H10 | C3 | H12 | 109.5° | 109.4° |
| H11 | C3 | H12 | 109.4° | 109.5° |
| H13 | N2 | H14 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C9 | C10 | C8 | 178.5° | 179.5° |
| N2 | C9 | C10 | C5 | 179.8° | 180.0° |
| N2 | C9 | C8 | C7 | 179.3° | 179.8° |
| N2 | C9 | C8 | H3 | 0.7° | 0.2° |
| N2 | C9 | C10 | H4 | 0.3° | 0.3° |
| C9 | N2 | H13 | H14 | 120.0° | 180.0° |
| C9 | C10 | C5 | H4 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 0.8° | 0.3° |
| C9 | C10 | C5 | C4 | 177.6° | 179.7° |
| C9 | C10 | C5 | C6 | 2.3° | 0.6° |
| C10 | C9 | C8 | H3 | 179.2° | 179.7° |
| C10 | C9 | N2 | H13 | 180.0° | 0.0° |
| C10 | C9 | N2 | H14 | 60.0° | 180.0° |
| C8 | C9 | C10 | C5 | 1.8° | 0.6° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.4° | 0.0° |
| C9 | C8 | C7 | H2 | 179.6° | 180.0° |
| C8 | C9 | C10 | H4 | 178.2° | 179.8° |
| C8 | C9 | N2 | H13 | 1.6° | 179.5° |
| C8 | C9 | N2 | H14 | 121.6° | 0.5° |
| C10 | C5 | C4 | C6 | 175.3° | 179.7° |
| C10 | C5 | C4 | O1 | 60.4° | 145.3° |
| C10 | C5 | C4 | N1 | 124.4° | 34.7° |
| C10 | C5 | C6 | C7 | 1.8° | 0.4° |
| C10 | C5 | C6 | H1 | 178.2° | 179.7° |
| C8 | C7 | C6 | C5 | 0.9° | 0.1° |
| C8 | C7 | C6 | H2 | 180.0° | 179.9° |
| C8 | C7 | C6 | H1 | 179.1° | 180.0° |
| C5 | C4 | O1 | N1 | 175.1° | 180.0° |
| C4 | C5 | C6 | C7 | 177.1° | 180.0° |
| C5 | C4 | N1 | C2 | 12.2° | 174.1° |
| C5 | C4 | N1 | C3 | 164.6° | 5.6° |
| C4 | C5 | C6 | H1 | 2.8° | 0.1° |
| C4 | C5 | C10 | H4 | 2.4° | 0.1° |
| C6 | C5 | C4 | O1 | 114.9° | 35.0° |
| C6 | C5 | C4 | N1 | 60.3° | 145.0° |
| C5 | C6 | C7 | H1 | 180.0° | 179.9° |
| C5 | C6 | C7 | H2 | 179.1° | 180.0° |
| C6 | C5 | C10 | H4 | 177.7° | 179.7° |
| O1 | C4 | N1 | C2 | 172.7° | 5.9° |
| O1 | C4 | N1 | C3 | 10.5° | 174.4° |
| C4 | N1 | C2 | C1 | 122.6° | 90.3° |
| C4 | N1 | C2 | C3 | 176.9° | 179.7° |
| C4 | N1 | C2 | H8 | 116.8° | 29.7° |
| C4 | N1 | C2 | H9 | 2.0° | 149.7° |
| C4 | N1 | C3 | H10 | 180.0° | 94.5° |
| C4 | N1 | C3 | H11 | 60.0° | 25.5° |
| C4 | N1 | C3 | H12 | 60.0° | 145.5° |
| C1 | C2 | N1 | H8 | 120.6° | 120.0° |
| C1 | C2 | N1 | H9 | 120.6° | 120.0° |
| C1 | C2 | N1 | C3 | 60.5° | 90.0° |
| C2 | C1 | H5 | H6 | 120.0° | 119.9° |
| C2 | C1 | H5 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.1° |
| C1 | C2 | H8 | H9 | 118.2° | 119.9° |
| C6 | C7 | C8 | H3 | 179.6° | 180.0° |
| N1 | C2 | C1 | H5 | 180.0° | 60.0° |
| N1 | C2 | C1 | H6 | 60.0° | 60.0° |
| N1 | C2 | C1 | H7 | 60.0° | 180.0° |
| N1 | C2 | H8 | H9 | 118.2° | 120.0° |
| C2 | N1 | C3 | H10 | 3.0° | 85.2° |
| C2 | N1 | C3 | H11 | 117.1° | 154.8° |
| C2 | N1 | C3 | H12 | 123.0° | 34.7° |
| C3 | N1 | C2 | H8 | 60.1° | 150.0° |
| C3 | N1 | C2 | H9 | 178.9° | 30.0° |
| N1 | C3 | H10 | H11 | 120.0° | 120.0° |
| N1 | C3 | H10 | H12 | 120.0° | 120.0° |
| N1 | C3 | H11 | H12 | 120.0° | 120.0° |
| H1 | C6 | C7 | H2 | 0.9° | 0.1° |
| H2 | C7 | C8 | H3 | 0.4° | 0.0° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
| H5 | C1 | C2 | H8 | 59.4° | 180.0° |
| H5 | C1 | C2 | H9 | 59.4° | 60.1° |
| H6 | C1 | C2 | H8 | 60.6° | 60.1° |
| H6 | C1 | C2 | H9 | 179.4° | 180.0° |
| H7 | C1 | C2 | H8 | 179.4° | 60.0° |
| H7 | C1 | C2 | H9 | 60.6° | 60.0° |
| H10 | C3 | H11 | H12 | 120.0° | 120.0° |
