KIA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | O2 | doub | 1.22Å | 1.25Å | |
| C3 | C4 | sing | 1.47Å | 1.40Å | |
| C4 | C5 | sing | 1.47Å | 1.40Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | C6 | sing | 1.48Å | 1.49Å | |
| C6 | O3 | sing | 1.35Å | 1.37Å | |
| O3 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.48Å | 1.49Å | |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| C2 | C3 | doub | 1.35Å | 1.39Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O4 | C2 | sing | 1.35Å | 1.37Å | |
| C8 | O4 | sing | 1.43Å | 1.43Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C4 | C3 | 118.9° | 119.9° |
| O2 | C4 | C5 | 119.3° | 119.9° |
| C3 | C4 | C5 | 121.8° | 120.3° |
| C4 | C3 | C2 | 121.4° | 120.2° |
| C4 | C3 | H3 | 119.3° | 119.9° |
| C4 | C5 | C6 | 121.2° | 120.2° |
| C4 | C5 | H5 | 119.4° | 119.9° |
| C6 | C5 | H5 | 119.4° | 119.9° |
| C5 | C6 | C1 | 118.7° | 119.8° |
| C5 | C6 | O3 | 121.2° | 120.1° |
| C1 | C6 | O3 | 120.1° | 120.1° |
| C6 | C1 | C2 | 118.3° | 119.7° |
| C6 | C1 | O1 | 120.8° | 120.1° |
| C6 | O3 | C7 | 121.8° | 117.0° |
| O3 | C7 | H7 | 109.5° | 109.5° |
| O3 | C7 | H7A | 109.4° | 109.5° |
| O3 | C7 | H7B | 109.5° | 109.5° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H7 | C7 | H7B | 109.4° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.4° |
| C2 | C1 | O1 | 120.9° | 120.1° |
| C1 | C2 | C3 | 118.6° | 119.8° |
| C1 | C2 | O4 | 120.6° | 120.1° |
| C2 | C3 | H3 | 119.3° | 119.9° |
| C3 | C2 | O4 | 120.9° | 120.1° |
| C2 | O4 | C8 | 121.8° | 117.0° |
| O4 | C8 | H8 | 109.5° | 109.5° |
| O4 | C8 | H8A | 109.5° | 109.5° |
| O4 | C8 | H8B | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C4 | C3 | C5 | 179.9° | 179.8° |
| O2 | C4 | C5 | C6 | 179.7° | 180.0° |
| O2 | C4 | C5 | H5 | 0.2° | 0.0° |
| O2 | C4 | C3 | C2 | 179.7° | 179.8° |
| O2 | C4 | C3 | H3 | 0.3° | 0.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.2° |
| C3 | C4 | C5 | H5 | 179.6° | 179.8° |
| C4 | C3 | C2 | C1 | 0.5° | 0.5° |
| C4 | C3 | C2 | H3 | 180.0° | 179.8° |
| C4 | C3 | C2 | O4 | 179.8° | 179.8° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.4° | 0.1° |
| C4 | C5 | C6 | O3 | 179.8° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.5° |
| C5 | C4 | C3 | H3 | 179.6° | 179.8° |
| C5 | C6 | C1 | O3 | 179.3° | 179.9° |
| C5 | C6 | O3 | C7 | 91.1° | 0.1° |
| C5 | C6 | C1 | C2 | 0.5° | 0.1° |
| C5 | C6 | C1 | O1 | 180.0° | 180.0° |
| H5 | C5 | C6 | C1 | 179.6° | 180.0° |
| H5 | C5 | C6 | O3 | 0.2° | 0.0° |
| C1 | C6 | O3 | C7 | 89.6° | 180.0° |
| C6 | C1 | C2 | O1 | 179.5° | 179.9° |
| C6 | C1 | C2 | C3 | 0.6° | 0.2° |
| C6 | C1 | C2 | O4 | 179.8° | 180.0° |
| C6 | O3 | C7 | H7 | 131.7° | 60.0° |
| C6 | O3 | C7 | H7A | 11.7° | 180.0° |
| C6 | O3 | C7 | H7B | 108.3° | 60.0° |
| O3 | C6 | C1 | C2 | 179.9° | 180.0° |
| O3 | C6 | C1 | O1 | 0.6° | 0.1° |
| O3 | C7 | H7 | H7A | 120.0° | 120.0° |
| O3 | C7 | H7 | H7B | 120.0° | 120.0° |
| O3 | C7 | H7A | H7B | 120.0° | 120.0° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
| C1 | C2 | C3 | O4 | 179.2° | 179.8° |
| C1 | C2 | C3 | H3 | 179.5° | 179.8° |
| C1 | C2 | O4 | C8 | 82.1° | 180.0° |
| O1 | C1 | C2 | C3 | 179.9° | 179.7° |
| O1 | C1 | C2 | O4 | 0.7° | 0.1° |
| C3 | C2 | O4 | C8 | 98.6° | 0.2° |
| H3 | C3 | C2 | O4 | 0.2° | 0.0° |
| C2 | O4 | C8 | H8 | 27.6° | 60.0° |
| C2 | O4 | C8 | H8A | 92.4° | 60.0° |
| C2 | O4 | C8 | H8B | 147.5° | 180.0° |
| O4 | C8 | H8 | H8A | 120.0° | 120.0° |
| O4 | C8 | H8 | H8B | 120.0° | 120.0° |
| O4 | C8 | H8A | H8B | 120.0° | 120.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
