KRQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | N4 | doub | 1.31Å | 1.35Å | Aromatic |
| C9 | C8 | doub | 1.37Å | 1.37Å | Aromatic |
| N4 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| N3 | C7 | sing | 1.37Å | 1.36Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.34Å | Aromatic |
| C7 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| N2 | C6 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.48Å | |
| C | N | sing | 1.46Å | 1.45Å | |
| N5 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| N5 | C1 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| N | C1 | sing | 1.38Å | 1.34Å | |
| C1 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | N4 | 125.6° | 121.0° |
| C10 | C9 | C8 | 116.6° | 120.0° |
| C9 | C10 | H9 | 117.2° | 119.5° |
| C10 | C9 | H8 | 121.7° | 120.1° |
| C10 | N4 | N3 | 115.5° | 120.7° |
| N4 | C10 | H9 | 117.2° | 119.5° |
| C9 | C8 | C7 | 119.4° | 119.1° |
| C9 | C8 | H7 | 120.3° | 120.5° |
| C8 | C9 | H8 | 121.7° | 120.0° |
| N4 | N3 | C7 | 123.3° | 119.6° |
| N4 | N3 | N2 | 121.1° | 132.7° |
| C8 | C7 | N3 | 119.5° | 119.6° |
| C8 | C7 | C5 | 136.9° | 133.4° |
| C7 | C8 | H7 | 120.3° | 120.4° |
| C7 | N3 | N2 | 115.5° | 107.7° |
| N3 | C7 | C5 | 103.5° | 106.9° |
| N3 | N2 | C6 | 103.0° | 109.4° |
| C7 | C5 | C6 | 104.5° | 107.1° |
| C7 | C5 | C4 | 129.3° | 126.5° |
| N2 | C6 | C5 | 113.4° | 108.9° |
| N2 | C6 | H6 | 123.3° | 125.5° |
| C6 | C5 | C4 | 126.2° | 126.4° |
| C5 | C6 | H6 | 123.3° | 125.6° |
| C5 | C4 | N5 | 117.7° | 120.5° |
| C5 | C4 | C3 | 120.2° | 120.5° |
| C | N | C1 | 123.9° | 120.0° |
| C | N | H3 | 105.7° | 120.1° |
| N | C | H | 109.5° | 109.4° |
| N | C | H1 | 109.5° | 109.5° |
| N | C | H2 | 109.5° | 109.5° |
| C4 | N5 | C1 | 116.4° | 120.6° |
| N5 | C4 | C3 | 122.1° | 119.0° |
| N5 | C1 | N | 117.1° | 119.2° |
| N5 | C1 | N1 | 126.1° | 121.7° |
| C4 | C3 | C2 | 116.3° | 118.4° |
| C4 | C3 | H5 | 121.8° | 120.8° |
| N | C1 | N1 | 116.7° | 119.1° |
| C1 | N | H3 | 105.7° | 119.9° |
| C1 | N1 | C2 | 115.4° | 121.0° |
| C3 | C2 | N1 | 123.6° | 119.4° |
| C3 | C2 | H4 | 118.2° | 120.3° |
| C2 | C3 | H5 | 121.8° | 120.8° |
| N1 | C2 | H4 | 118.3° | 120.3° |
| H | C | H1 | 109.5° | 109.5° |
| H | C | H2 | 109.5° | 109.5° |
| H1 | C | H2 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | N4 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | H8 | 180.0° | 179.9° |
| C9 | C10 | N4 | N3 | 0.5° | 0.0° |
| C10 | C9 | C8 | C7 | 1.3° | 0.0° |
| C10 | C9 | C8 | H7 | 178.6° | 180.0° |
| N4 | C10 | C9 | C8 | 0.4° | 0.1° |
| C10 | N4 | N3 | C7 | 0.3° | 0.0° |
| C10 | N4 | N3 | N2 | 178.7° | 179.7° |
| N4 | C10 | C9 | H8 | 179.7° | 180.0° |
| C9 | C8 | C7 | H7 | 180.0° | 179.9° |
| C9 | C8 | C7 | N3 | 1.5° | 0.0° |
| C9 | C8 | C7 | C5 | 177.3° | 180.0° |
| C8 | C9 | C10 | H9 | 179.7° | 180.0° |
| N4 | N3 | C7 | C8 | 0.7° | 0.1° |
| N4 | N3 | C7 | N2 | 178.5° | 179.7° |
| N4 | N3 | C7 | C5 | 177.7° | 180.0° |
| N4 | N3 | N2 | C6 | 178.0° | 179.9° |
| N3 | N4 | C10 | H9 | 179.5° | 180.0° |
| C8 | C7 | N3 | C5 | 177.0° | 180.0° |
| C8 | C7 | N3 | N2 | 177.8° | 179.8° |
| C8 | C7 | C5 | C6 | 176.8° | 180.0° |
| C8 | C7 | C5 | C4 | 4.8° | 0.2° |
| C7 | C8 | C9 | H8 | 178.7° | 180.0° |
| C7 | N3 | N2 | C6 | 0.5° | 0.4° |
| N3 | C7 | C5 | C6 | 0.6° | 0.0° |
| N3 | C7 | C5 | C4 | 179.0° | 179.8° |
| N3 | C7 | C8 | H7 | 178.4° | 179.9° |
| N2 | N3 | C7 | C5 | 0.8° | 0.3° |
| N3 | N2 | C6 | C5 | 0.1° | 0.4° |
| N3 | N2 | C6 | H6 | 179.9° | 179.6° |
| C7 | C5 | C6 | N2 | 0.4° | 0.2° |
| C7 | C5 | C6 | C4 | 178.4° | 179.8° |
| C7 | C5 | C4 | N5 | 5.7° | 0.6° |
| C7 | C5 | C4 | C3 | 174.4° | 179.8° |
| C7 | C5 | C6 | H6 | 179.6° | 179.8° |
| C5 | C7 | C8 | H7 | 2.7° | 0.0° |
| N2 | C6 | C5 | H6 | 180.0° | 180.0° |
| N2 | C6 | C5 | C4 | 178.8° | 180.0° |
| C6 | C5 | C4 | N5 | 172.3° | 179.2° |
| C6 | C5 | C4 | C3 | 7.6° | 0.0° |
| C5 | C4 | N5 | C3 | 179.9° | 179.2° |
| C5 | C4 | N5 | C1 | 177.5° | 179.7° |
| C5 | C4 | C3 | C2 | 177.1° | 179.9° |
| C5 | C4 | C3 | H5 | 2.8° | 0.5° |
| C4 | C5 | C6 | H6 | 1.2° | 0.0° |
| C | N | C1 | N5 | 1.4° | 179.7° |
| C | N | C1 | H3 | 122.0° | 180.0° |
| C | N | C1 | N1 | 180.0° | 0.0° |
| N | C | H | H1 | 120.0° | 120.0° |
| N | C | H | H2 | 120.0° | 120.0° |
| N | C | H1 | H2 | 120.0° | 120.0° |
| C4 | N5 | C1 | N | 178.4° | 179.7° |
| C4 | N5 | C1 | N1 | 0.1° | 0.1° |
| N5 | C4 | C3 | C2 | 2.9° | 0.7° |
| N5 | C4 | C3 | H5 | 177.1° | 179.7° |
| C1 | N5 | C4 | C3 | 2.6° | 0.5° |
| N5 | C1 | N | N1 | 178.6° | 179.7° |
| N5 | C1 | N1 | C2 | 1.8° | 0.4° |
| N5 | C1 | N | H3 | 120.6° | 0.3° |
| C4 | C3 | C2 | H5 | 180.0° | 179.5° |
| C4 | C3 | C2 | N1 | 0.9° | 0.4° |
| C4 | C3 | C2 | H4 | 179.1° | 179.5° |
| N | C1 | N1 | C2 | 179.7° | 179.9° |
| C1 | N | C | H | 180.0° | 180.0° |
| C1 | N | C | H1 | 60.0° | 60.0° |
| C1 | N | C | H2 | 60.0° | 60.0° |
| C1 | N1 | C2 | C3 | 1.3° | 0.1° |
| C1 | N1 | C2 | H4 | 178.7° | 179.9° |
| N1 | C1 | N | H3 | 58.1° | 180.0° |
| C3 | C2 | N1 | H4 | 180.0° | 179.9° |
| N1 | C2 | C3 | H5 | 179.2° | 180.0° |
| H4 | C2 | C3 | H5 | 0.8° | 0.0° |
| H7 | C8 | C9 | H8 | 1.3° | 0.1° |
| H3 | N | C | H | 58.0° | 0.0° |
| H3 | N | C | H1 | 62.0° | 120.0° |
| H3 | N | C | H2 | 178.1° | 120.0° |
| H | C | H1 | H2 | 120.0° | 120.0° |
| H9 | C10 | C9 | H8 | 0.3° | 0.1° |
