KO9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C5 | doub | 1.32Å | 1.34Å | Aromatic |
| N | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| N3 | C11 | trip | 1.14Å | 1.14Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C1 | C | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.43Å | 1.44Å | |
| C | N1 | sing | 1.35Å | 1.35Å | |
| C12 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C7 | sing | 1.40Å | 1.41Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N | C6 | 117.4° | 121.8° |
| N | C5 | C4 | 123.2° | 120.7° |
| N | C5 | H3 | 118.4° | 119.6° |
| N | C6 | C2 | 124.0° | 120.8° |
| N | C6 | H4 | 118.0° | 119.7° |
| C5 | C4 | C3 | 118.1° | 119.2° |
| C5 | C4 | H2 | 120.9° | 120.4° |
| C4 | C5 | H3 | 118.4° | 119.7° |
| C6 | C2 | C3 | 117.2° | 119.1° |
| C6 | C2 | C1 | 121.0° | 120.5° |
| C2 | C6 | H4 | 118.0° | 119.6° |
| C4 | C3 | C2 | 120.0° | 118.4° |
| C3 | C4 | H2 | 120.9° | 120.4° |
| C4 | C3 | H10 | 120.0° | 120.8° |
| C3 | C2 | C1 | 121.8° | 120.4° |
| C2 | C3 | H10 | 120.0° | 120.8° |
| C2 | C1 | C | 111.7° | 109.4° |
| C2 | C1 | H8 | 108.9° | 109.4° |
| C2 | C1 | H9 | 108.9° | 109.5° |
| N3 | C11 | C10 | 177.8° | 179.9° |
| O | C | C1 | 121.9° | 120.0° |
| O | C | N1 | 123.4° | 120.0° |
| C1 | C | N1 | 114.7° | 119.9° |
| C | C1 | H8 | 108.9° | 109.5° |
| C | C1 | H9 | 108.9° | 109.5° |
| C11 | C10 | C12 | 119.8° | 120.5° |
| C11 | C10 | C9 | 121.9° | 120.6° |
| C | N1 | C7 | 126.5° | 120.0° |
| C | N1 | H1 | 116.8° | 120.0° |
| C10 | C12 | C7 | 119.6° | 118.2° |
| C12 | C10 | C9 | 118.2° | 118.9° |
| C10 | C12 | H7 | 120.2° | 120.9° |
| C12 | C7 | N1 | 116.4° | 120.4° |
| C12 | C7 | C8 | 117.7° | 119.2° |
| C7 | C12 | H7 | 120.2° | 120.9° |
| C10 | C9 | N2 | 123.3° | 120.7° |
| C10 | C9 | H6 | 118.4° | 119.6° |
| N1 | C7 | C8 | 125.5° | 120.4° |
| C7 | N1 | H1 | 116.7° | 120.0° |
| C7 | C8 | N2 | 123.6° | 121.0° |
| C7 | C8 | H5 | 118.2° | 119.5° |
| C9 | N2 | C8 | 117.5° | 122.0° |
| N2 | C9 | H6 | 118.3° | 119.7° |
| N2 | C8 | H5 | 118.2° | 119.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C5 | C4 | H3 | 180.0° | 180.0° |
| C5 | N | C6 | C2 | 0.0° | 0.4° |
| N | C5 | C4 | C3 | 0.4° | 0.0° |
| N | C5 | C4 | H2 | 179.6° | 179.8° |
| C5 | N | C6 | H4 | 180.0° | 179.7° |
| C6 | N | C5 | C4 | 0.2° | 0.0° |
| N | C6 | C2 | H4 | 180.0° | 179.4° |
| N | C6 | C2 | C3 | 0.1° | 0.6° |
| N | C6 | C2 | C1 | 179.4° | 179.4° |
| C6 | N | C5 | H3 | 179.8° | 180.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.4° | 0.2° |
| C5 | C4 | C3 | H10 | 179.6° | 179.7° |
| C6 | C2 | C3 | C4 | 0.3° | 0.5° |
| C6 | C2 | C3 | C1 | 179.5° | 180.0° |
| C6 | C2 | C1 | C | 72.6° | 90.0° |
| C6 | C2 | C1 | H8 | 167.0° | 30.0° |
| C6 | C2 | C1 | H9 | 47.7° | 150.0° |
| C6 | C2 | C3 | H10 | 179.7° | 179.4° |
| C4 | C3 | C2 | H10 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 179.2° | 179.5° |
| C3 | C4 | C5 | H3 | 179.6° | 180.0° |
| C3 | C2 | C1 | C | 106.9° | 90.0° |
| C2 | C3 | C4 | H2 | 179.5° | 180.0° |
| C3 | C2 | C6 | H4 | 179.9° | 180.0° |
| C3 | C2 | C1 | H8 | 13.5° | 150.0° |
| C3 | C2 | C1 | H9 | 132.8° | 30.0° |
| C2 | C1 | C | O | 7.4° | 0.0° |
| C2 | C1 | C | H8 | 120.3° | 119.9° |
| C2 | C1 | C | H9 | 120.3° | 120.0° |
| C2 | C1 | C | N1 | 172.3° | 180.0° |
| C1 | C2 | C6 | H4 | 0.6° | 0.1° |
| C2 | C1 | H8 | H9 | 119.0° | 120.0° |
| C1 | C2 | C3 | H10 | 0.8° | 0.6° |
| N3 | C11 | C10 | C12 | 7.1° | 89.7° |
| N3 | C11 | C10 | C9 | 168.9° | 90.6° |
| O | C | C1 | N1 | 179.6° | 180.0° |
| O | C | N1 | C7 | 11.0° | 4.7° |
| O | C | N1 | H1 | 169.0° | 175.1° |
| O | C | C1 | H8 | 113.0° | 119.9° |
| O | C | C1 | H9 | 127.7° | 120.0° |
| C1 | C | N1 | C7 | 168.6° | 175.3° |
| C1 | C | N1 | H1 | 11.4° | 4.9° |
| C | C1 | H8 | H9 | 119.0° | 120.0° |
| C11 | C10 | C12 | C9 | 176.1° | 179.7° |
| C11 | C10 | C12 | C7 | 174.3° | 179.7° |
| C11 | C10 | C9 | N2 | 176.5° | 179.9° |
| C11 | C10 | C9 | H6 | 3.5° | 0.0° |
| C11 | C10 | C12 | H7 | 5.7° | 0.3° |
| C | N1 | C7 | C12 | 89.7° | 35.2° |
| C | N1 | C7 | H1 | 180.0° | 179.7° |
| C | N1 | C7 | C8 | 83.1° | 145.0° |
| N1 | C | C1 | H8 | 67.4° | 60.0° |
| N1 | C | C1 | H9 | 52.0° | 60.0° |
| C10 | C12 | C7 | H7 | 180.0° | 180.0° |
| C10 | C12 | C7 | N1 | 170.2° | 180.0° |
| C10 | C12 | C7 | C8 | 3.2° | 0.3° |
| C12 | C10 | C9 | N2 | 0.5° | 0.3° |
| C12 | C10 | C9 | H6 | 179.5° | 179.7° |
| C7 | C12 | C10 | C9 | 1.8° | 0.0° |
| C12 | C7 | N1 | C8 | 172.8° | 179.7° |
| C12 | C7 | C8 | N2 | 2.5° | 0.3° |
| C12 | C7 | N1 | H1 | 90.3° | 144.5° |
| C12 | C7 | C8 | H5 | 177.5° | 179.8° |
| C10 | C9 | N2 | H6 | 180.0° | 180.0° |
| C10 | C9 | N2 | C8 | 1.3° | 0.2° |
| C9 | C10 | C12 | H7 | 178.2° | 180.0° |
| N1 | C7 | C8 | N2 | 170.2° | 180.0° |
| N1 | C7 | C8 | H5 | 9.8° | 0.0° |
| N1 | C7 | C12 | H7 | 9.8° | 0.0° |
| C7 | C8 | N2 | C9 | 0.3° | 0.1° |
| C7 | C8 | N2 | H5 | 180.0° | 179.9° |
| C8 | C7 | N1 | H1 | 96.9° | 35.2° |
| C8 | C7 | C12 | H7 | 176.8° | 179.7° |
| C9 | N2 | C8 | H5 | 179.7° | 180.0° |
| C8 | N2 | C9 | H6 | 178.7° | 179.8° |
| H2 | C4 | C5 | H3 | 0.4° | 0.2° |
| H2 | C4 | C3 | H10 | 0.5° | 0.1° |
