5HQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.47Å | 1.44Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.49Å | |
| C1 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.46Å | |
| C4 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.35Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.43Å | Aromatic |
| C9 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | O | sing | 1.35Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.35Å | 1.33Å | Aromatic |
| O | C8 | sing | 1.34Å | 1.37Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 1.01Å | 1.00Å | |
| N | H6 | sing | 1.01Å | 1.00Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C1 | 111.6° | 109.4° |
| C | N | H5 | 109.5° | 111.0° |
| C | N | H6 | 109.5° | 111.0° |
| N | C | H8 | 108.9° | 109.4° |
| N | C | H9 | 108.9° | 109.5° |
| C3 | C2 | C1 | 120.8° | 118.6° |
| C2 | C3 | C4 | 118.0° | 119.0° |
| C2 | C3 | H10 | 121.0° | 120.5° |
| C3 | C2 | H11 | 119.6° | 120.7° |
| C2 | C1 | C | 122.5° | 120.3° |
| C2 | C1 | C9 | 116.7° | 119.4° |
| C1 | C2 | H11 | 119.6° | 120.7° |
| C3 | C4 | C5 | 119.5° | 119.8° |
| C3 | C4 | N1 | 122.7° | 120.5° |
| C4 | C3 | H10 | 121.0° | 120.5° |
| C | C1 | C9 | 120.9° | 120.3° |
| C1 | C | H8 | 108.9° | 109.5° |
| C1 | C | H9 | 108.9° | 109.5° |
| C1 | C9 | N1 | 124.3° | 120.9° |
| C1 | C9 | H4 | 117.8° | 119.5° |
| C5 | C4 | N1 | 117.7° | 119.8° |
| C4 | C5 | C6 | 131.8° | 125.9° |
| C4 | C5 | O | 118.4° | 126.0° |
| C4 | N1 | C9 | 117.4° | 121.6° |
| C5 | C6 | C7 | 106.3° | 106.8° |
| C6 | C5 | O | 109.8° | 108.1° |
| C5 | C6 | H1 | 126.8° | 126.7° |
| C6 | C7 | C8 | 107.0° | 107.0° |
| C7 | C6 | H1 | 126.8° | 126.6° |
| C6 | C7 | H2 | 126.5° | 126.5° |
| N1 | C9 | H4 | 117.8° | 119.6° |
| C5 | O | C8 | 106.4° | 109.4° |
| C7 | C8 | O | 110.5° | 108.7° |
| C8 | C7 | H2 | 126.5° | 126.5° |
| C7 | C8 | H3 | 124.8° | 125.6° |
| O | C8 | H3 | 124.8° | 125.7° |
| H5 | N | H6 | 109.5° | 111.0° |
| H8 | C | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C1 | C2 | 100.8° | 90.0° |
| N | C | C1 | H8 | 120.3° | 119.9° |
| N | C | C1 | H9 | 120.3° | 120.0° |
| N | C | C1 | C9 | 79.2° | 90.0° |
| C | N | H5 | H6 | 120.0° | 124.0° |
| N | C | H8 | H9 | 119.0° | 120.0° |
| C3 | C2 | C1 | H11 | 180.0° | 179.5° |
| C2 | C3 | C4 | H10 | 180.0° | 179.8° |
| C3 | C2 | C1 | C | 179.7° | 179.8° |
| C3 | C2 | C1 | C9 | 0.3° | 0.3° |
| C2 | C3 | C4 | C5 | 178.3° | 179.7° |
| C2 | C3 | C4 | N1 | 0.1° | 0.5° |
| C1 | C2 | C3 | C4 | 0.2° | 0.5° |
| C2 | C1 | C | C9 | 179.9° | 180.0° |
| C2 | C1 | C9 | N1 | 0.1° | 0.0° |
| C2 | C1 | C9 | H4 | 180.0° | 180.0° |
| C2 | C1 | C | H8 | 19.5° | 150.0° |
| C2 | C1 | C | H9 | 138.8° | 30.0° |
| C1 | C2 | C3 | H10 | 179.8° | 179.7° |
| C3 | C4 | C5 | N1 | 178.5° | 179.8° |
| C3 | C4 | C5 | C6 | 1.4° | 180.0° |
| C3 | C4 | N1 | C9 | 0.3° | 0.2° |
| C3 | C4 | C5 | O | 178.4° | 0.3° |
| C4 | C3 | C2 | H11 | 179.9° | 180.0° |
| C | C1 | C9 | N1 | 179.9° | 180.0° |
| C | C1 | C9 | H4 | 0.1° | 0.1° |
| C1 | C | N | H5 | 180.0° | 180.0° |
| C1 | C | N | H6 | 60.0° | 56.1° |
| C1 | C | H8 | H9 | 119.0° | 120.0° |
| C | C1 | C2 | H11 | 0.3° | 0.3° |
| C1 | C9 | N1 | C4 | 0.2° | 0.0° |
| C1 | C9 | N1 | H4 | 180.0° | 180.0° |
| C9 | C1 | C | H8 | 160.5° | 29.9° |
| C9 | C1 | C | H9 | 41.1° | 150.0° |
| C9 | C1 | C2 | H11 | 179.8° | 179.8° |
| C4 | C5 | C6 | O | 179.8° | 179.7° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C5 | C4 | N1 | C9 | 178.1° | 180.0° |
| C4 | C5 | O | C8 | 179.9° | 179.9° |
| C4 | C5 | C6 | H1 | 0.1° | 0.1° |
| C5 | C4 | C3 | H10 | 1.7° | 0.0° |
| N1 | C4 | C5 | C6 | 177.1° | 0.3° |
| N1 | C4 | C5 | O | 3.1° | 180.0° |
| C4 | N1 | C9 | H4 | 179.7° | 180.0° |
| N1 | C4 | C3 | H10 | 179.8° | 179.7° |
| C5 | C6 | C7 | H1 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.0° | 0.1° |
| C6 | C5 | O | C8 | 0.1° | 0.4° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | O | 0.1° | 0.3° |
| C6 | C7 | C8 | H2 | 180.0° | 179.9° |
| C6 | C7 | C8 | O | 0.1° | 0.2° |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C5 | O | C8 | C7 | 0.1° | 0.4° |
| O | C5 | C6 | H1 | 179.9° | 179.8° |
| C5 | O | C8 | H3 | 179.9° | 179.8° |
| C7 | C8 | O | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | H1 | 180.0° | 180.0° |
| O | C8 | C7 | H2 | 180.0° | 179.8° |
| H1 | C6 | C7 | H2 | 0.0° | 0.0° |
| H2 | C7 | C8 | H3 | 0.0° | 0.1° |
| H5 | N | C | H8 | 59.7° | 60.1° |
| H5 | N | C | H9 | 59.7° | 60.0° |
| H6 | N | C | H8 | 60.4° | 63.9° |
| H6 | N | C | H9 | 179.7° | 176.1° |
| H10 | C3 | C2 | H11 | 0.1° | 0.2° |
