K0Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | N1 | sing | 1.21Å | 1.34Å | Aromatic |
| O3 | C6 | sing | 1.34Å | 1.38Å | Aromatic |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| N1 | C4 | doub | 1.31Å | 1.34Å | Aromatic |
| N | C2 | sing | 1.47Å | 1.49Å | |
| N | C3 | sing | 1.35Å | 1.40Å | |
| C6 | C7 | sing | 1.51Å | 1.46Å | |
| C6 | C5 | doub | 1.35Å | 1.36Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | O | sing | 1.34Å | 1.39Å | |
| C4 | C3 | sing | 1.48Å | 1.46Å | |
| C4 | C5 | sing | 1.42Å | 1.44Å | Aromatic |
| C | O | sing | 1.45Å | 1.44Å | |
| C3 | O2 | doub | 1.22Å | 1.21Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | O3 | C6 | 109.5° | 111.9° |
| O3 | N1 | C4 | 107.5° | 111.4° |
| O3 | C6 | C7 | 117.1° | 126.6° |
| O3 | C6 | C5 | 109.4° | 106.7° |
| O1 | C1 | C2 | 122.9° | 120.0° |
| O1 | C1 | O | 116.3° | 120.0° |
| N1 | C4 | C3 | 125.3° | 126.9° |
| N1 | C4 | C5 | 109.6° | 106.2° |
| C2 | N | C3 | 121.3° | 120.0° |
| N | C2 | C1 | 109.8° | 109.5° |
| C2 | N | H5 | 119.4° | 120.0° |
| N | C2 | H9 | 109.4° | 109.5° |
| N | C2 | H10 | 109.4° | 109.4° |
| N | C3 | C4 | 118.0° | 120.0° |
| N | C3 | O2 | 123.3° | 120.0° |
| C3 | N | H5 | 119.4° | 120.0° |
| C7 | C6 | C5 | 133.5° | 126.7° |
| C6 | C7 | H2 | 109.5° | 109.5° |
| C6 | C7 | H3 | 109.4° | 109.5° |
| C6 | C7 | H4 | 109.4° | 109.5° |
| C6 | C5 | C4 | 104.1° | 103.9° |
| C6 | C5 | H1 | 128.0° | 128.0° |
| C2 | C1 | O | 120.8° | 120.0° |
| C1 | C2 | H9 | 109.4° | 109.5° |
| C1 | C2 | H10 | 109.4° | 109.5° |
| C1 | O | C | 121.2° | 117.0° |
| C3 | C4 | C5 | 125.1° | 126.9° |
| C4 | C3 | O2 | 118.7° | 120.0° |
| C4 | C5 | H1 | 128.0° | 128.1° |
| O | C | H6 | 109.5° | 109.5° |
| O | C | H7 | 109.5° | 109.4° |
| O | C | H8 | 109.5° | 109.5° |
| H2 | C7 | H3 | 109.4° | 109.5° |
| H2 | C7 | H4 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H6 | C | H7 | 109.5° | 109.5° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | O3 | C6 | C7 | 178.8° | 180.0° |
| N1 | O3 | C6 | C5 | 0.2° | 0.0° |
| O3 | N1 | C4 | C3 | 179.6° | 180.0° |
| O3 | N1 | C4 | C5 | 0.3° | 0.0° |
| C6 | O3 | N1 | C4 | 0.3° | 0.0° |
| O3 | C6 | C7 | C5 | 178.8° | 180.0° |
| O3 | C6 | C5 | C4 | 0.1° | 0.0° |
| O3 | C6 | C5 | H1 | 179.9° | 180.0° |
| O3 | C6 | C7 | H2 | 0.0° | 90.0° |
| O3 | C6 | C7 | H3 | 120.0° | 30.0° |
| O3 | C6 | C7 | H4 | 120.0° | 150.1° |
| O1 | C1 | C2 | N | 49.4° | 0.0° |
| O1 | C1 | C2 | O | 179.7° | 180.0° |
| O1 | C1 | O | C | 27.1° | 0.0° |
| O1 | C1 | C2 | H9 | 169.4° | 120.0° |
| O1 | C1 | C2 | H10 | 70.7° | 120.0° |
| N1 | C4 | C3 | N | 4.1° | 0.0° |
| N1 | C4 | C5 | C6 | 0.1° | 0.0° |
| N1 | C4 | C3 | C5 | 179.8° | 180.0° |
| N1 | C4 | C3 | O2 | 175.6° | 180.0° |
| N1 | C4 | C5 | H1 | 179.9° | 180.0° |
| C2 | N | C3 | H5 | 180.0° | 180.0° |
| N | C2 | C1 | H9 | 120.0° | 120.0° |
| N | C2 | C1 | H10 | 120.1° | 120.0° |
| N | C2 | C1 | O | 130.4° | 180.0° |
| C2 | N | C3 | C4 | 179.8° | 180.0° |
| C2 | N | C3 | O2 | 0.1° | 0.0° |
| N | C2 | H9 | H10 | 119.9° | 120.0° |
| C3 | N | C2 | C1 | 131.9° | 180.0° |
| N | C3 | C4 | O2 | 179.8° | 180.0° |
| N | C3 | C4 | C5 | 175.7° | 180.0° |
| C3 | N | C2 | H9 | 11.8° | 60.0° |
| C3 | N | C2 | H10 | 108.1° | 60.0° |
| C7 | C6 | C5 | C4 | 178.8° | 180.0° |
| C7 | C6 | C5 | H1 | 1.3° | 0.0° |
| C6 | C7 | H2 | H3 | 120.0° | 120.0° |
| C6 | C7 | H2 | H4 | 120.0° | 120.0° |
| C6 | C7 | H3 | H4 | 120.0° | 120.0° |
| C6 | C5 | C4 | C3 | 179.7° | 180.0° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C5 | C6 | C7 | H2 | 178.8° | 90.0° |
| C5 | C6 | C7 | H3 | 61.2° | 150.0° |
| C5 | C6 | C7 | H4 | 58.7° | 29.9° |
| C2 | C1 | O | C | 153.1° | 180.0° |
| C1 | C2 | N | H5 | 48.1° | 0.0° |
| C1 | C2 | H9 | H10 | 119.9° | 120.0° |
| C1 | O | C | H6 | 180.0° | 60.0° |
| C1 | O | C | H7 | 60.0° | 60.0° |
| C1 | O | C | H8 | 60.0° | 180.0° |
| O | C1 | C2 | H9 | 10.3° | 60.0° |
| O | C1 | C2 | H10 | 109.6° | 60.0° |
| C3 | C4 | C5 | H1 | 0.2° | 0.0° |
| C4 | C3 | N | H5 | 0.2° | 0.0° |
| C5 | C4 | C3 | O2 | 4.5° | 0.0° |
| O | C | H6 | H7 | 120.0° | 119.9° |
| O | C | H6 | H8 | 120.0° | 120.1° |
| O | C | H7 | H8 | 120.0° | 120.0° |
| O2 | C3 | N | H5 | 180.0° | 180.0° |
| H2 | C7 | H3 | H4 | 120.0° | 120.0° |
| H5 | N | C2 | H9 | 168.2° | 120.0° |
| H5 | N | C2 | H10 | 71.9° | 120.0° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
