1Q8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.52Å | |
| O6 | C2 | doub | 1.22Å | 1.22Å | |
| C2 | N5 | sing | 1.35Å | 1.34Å | |
| N5 | C9 | sing | 1.47Å | 1.46Å | |
| C9 | O11 | sing | 1.43Å | 1.44Å | |
| N5 | H1 | sing | 0.97Å | 1.00Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| O11 | H4 | sing | 0.97Å | 0.95Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C7 | C3 | 118.8° | 120.2° |
| C7 | C10 | C8 | 120.7° | 120.3° |
| C7 | C10 | H7 | 119.7° | 119.9° |
| C10 | C7 | H8 | 120.6° | 119.9° |
| C7 | C3 | C1 | 121.4° | 119.8° |
| C3 | C7 | H8 | 120.6° | 119.9° |
| C7 | C3 | H9 | 119.3° | 120.0° |
| C10 | C8 | C4 | 120.5° | 120.1° |
| C10 | C8 | H6 | 119.8° | 119.9° |
| C8 | C10 | H7 | 119.7° | 119.8° |
| C3 | C1 | C4 | 118.5° | 119.7° |
| C3 | C1 | C2 | 120.0° | 120.1° |
| C1 | C3 | H9 | 119.3° | 120.1° |
| C8 | C4 | C1 | 120.1° | 119.9° |
| C8 | C4 | H5 | 119.9° | 120.0° |
| C4 | C8 | H6 | 119.7° | 120.0° |
| C4 | C1 | C2 | 121.5° | 120.1° |
| C1 | C4 | H5 | 119.9° | 120.1° |
| C1 | C2 | O6 | 120.7° | 120.0° |
| C1 | C2 | N5 | 121.4° | 120.0° |
| O6 | C2 | N5 | 117.9° | 120.0° |
| C2 | N5 | C9 | 127.8° | 120.0° |
| C2 | N5 | H1 | 116.1° | 120.0° |
| N5 | C9 | O11 | 112.6° | 109.5° |
| C9 | N5 | H1 | 116.1° | 120.0° |
| N5 | C9 | H2 | 108.7° | 109.5° |
| N5 | C9 | H3 | 108.7° | 109.5° |
| O11 | C9 | H2 | 108.7° | 109.5° |
| O11 | C9 | H3 | 108.7° | 109.4° |
| C9 | O11 | H4 | 109.5° | 114.0° |
| H2 | C9 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C7 | C3 | H8 | 180.0° | 179.7° |
| C7 | C10 | C8 | H7 | 180.0° | 179.9° |
| C10 | C7 | C3 | C1 | 1.7° | 0.7° |
| C7 | C10 | C8 | C4 | 0.2° | 0.0° |
| C7 | C10 | C8 | H6 | 179.8° | 180.0° |
| C10 | C7 | C3 | H9 | 178.3° | 180.0° |
| C3 | C7 | C10 | C8 | 1.1° | 0.3° |
| C7 | C3 | C1 | H9 | 180.0° | 179.3° |
| C7 | C3 | C1 | C4 | 1.1° | 0.6° |
| C7 | C3 | C1 | C2 | 179.0° | 179.7° |
| C3 | C7 | C10 | H7 | 178.9° | 179.7° |
| C10 | C8 | C4 | H6 | 180.0° | 180.0° |
| C10 | C8 | C4 | C1 | 0.8° | 0.0° |
| C10 | C8 | C4 | H5 | 179.2° | 180.0° |
| C8 | C10 | C7 | H8 | 178.9° | 179.9° |
| C3 | C1 | C4 | C8 | 0.2° | 0.3° |
| C3 | C1 | C4 | C2 | 179.9° | 179.7° |
| C3 | C1 | C2 | O6 | 21.7° | 179.7° |
| C3 | C1 | C2 | N5 | 158.2° | 0.6° |
| C3 | C1 | C4 | H5 | 179.8° | 179.7° |
| C1 | C3 | C7 | H8 | 178.3° | 179.6° |
| C8 | C4 | C1 | H5 | 180.0° | 180.0° |
| C8 | C4 | C1 | C2 | 179.7° | 180.0° |
| C4 | C8 | C10 | H7 | 179.8° | 180.0° |
| C4 | C1 | C2 | O6 | 158.4° | 0.0° |
| C4 | C1 | C2 | N5 | 21.7° | 179.7° |
| C1 | C4 | C8 | H6 | 179.2° | 180.0° |
| C4 | C1 | C3 | H9 | 178.9° | 180.0° |
| C1 | C2 | O6 | N5 | 180.0° | 179.7° |
| C1 | C2 | N5 | C9 | 180.0° | 179.7° |
| C1 | C2 | N5 | H1 | 0.0° | 0.3° |
| C2 | C1 | C4 | H5 | 0.3° | 0.0° |
| C2 | C1 | C3 | H9 | 1.0° | 0.3° |
| O6 | C2 | N5 | C9 | 0.0° | 0.0° |
| O6 | C2 | N5 | H1 | 180.0° | 180.0° |
| C2 | N5 | C9 | H1 | 180.0° | 179.9° |
| C2 | N5 | C9 | O11 | 86.6° | 95.0° |
| C2 | N5 | C9 | H2 | 33.9° | 145.0° |
| C2 | N5 | C9 | H3 | 153.0° | 25.0° |
| N5 | C9 | O11 | H2 | 120.5° | 120.0° |
| N5 | C9 | O11 | H3 | 120.4° | 120.0° |
| N5 | C9 | H2 | H3 | 118.6° | 120.0° |
| N5 | C9 | O11 | H4 | 180.0° | 180.0° |
| O11 | C9 | N5 | H1 | 93.4° | 85.1° |
| O11 | C9 | H2 | H3 | 118.6° | 120.0° |
| H1 | N5 | C9 | H2 | 146.1° | 34.9° |
| H1 | N5 | C9 | H3 | 27.0° | 155.0° |
| H2 | C9 | O11 | H4 | 59.5° | 60.0° |
| H3 | C9 | O11 | H4 | 59.6° | 60.0° |
| H5 | C4 | C8 | H6 | 0.8° | 0.0° |
| H6 | C8 | C10 | H7 | 0.2° | 0.0° |
| H7 | C10 | C7 | H8 | 1.0° | 0.0° |
| H8 | C7 | C3 | H9 | 1.7° | 0.3° |
