KV0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.23Å | |
| I | C4 | sing | 2.10Å | 2.12Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.47Å | 1.49Å | |
| C2 | O1 | sing | 1.35Å | 1.31Å | |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | N | sing | 1.40Å | 1.43Å | |
| C5 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C | O | sing | 1.36Å | 1.36Å | |
| N | C6 | sing | 1.37Å | 1.38Å | Aromatic |
| N | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| C10 | I1 | sing | 2.09Å | 2.12Å | |
| C6 | C7 | doub | 1.35Å | 1.36Å | Aromatic |
| C9 | C8 | doub | 1.35Å | 1.36Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.43Å | Aromatic |
| C7 | F | sing | 1.35Å | 1.35Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| O | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C1 | 121.9° | 120.0° |
| O2 | C2 | O1 | 123.3° | 120.0° |
| I | C4 | C3 | 115.7° | 119.9° |
| I | C4 | C5 | 125.2° | 119.9° |
| C4 | C3 | C1 | 120.1° | 120.0° |
| C3 | C4 | C5 | 119.1° | 120.2° |
| C4 | C3 | H5 | 119.9° | 120.0° |
| C3 | C1 | C2 | 119.1° | 120.1° |
| C3 | C1 | C | 120.7° | 119.7° |
| C1 | C3 | H5 | 120.0° | 120.0° |
| C1 | C2 | O1 | 114.8° | 120.0° |
| C2 | C1 | C | 120.2° | 120.2° |
| C2 | O1 | H3 | 109.5° | 116.9° |
| C4 | C5 | N | 123.7° | 119.9° |
| C4 | C5 | C10 | 122.5° | 120.2° |
| C1 | C | C10 | 120.3° | 119.8° |
| C1 | C | O | 121.0° | 120.1° |
| N | C5 | C10 | 113.8° | 119.9° |
| C5 | N | C6 | 125.2° | 125.6° |
| C5 | N | C9 | 126.2° | 125.7° |
| C5 | C10 | C | 117.3° | 120.0° |
| C5 | C10 | I1 | 124.0° | 120.0° |
| C10 | C | O | 118.7° | 120.1° |
| C | C10 | I1 | 118.6° | 120.0° |
| C | O | H6 | 109.5° | 114.0° |
| C6 | N | C9 | 108.4° | 108.6° |
| N | C6 | C7 | 107.4° | 108.1° |
| N | C6 | H4 | 126.3° | 125.9° |
| N | C9 | C8 | 109.8° | 108.2° |
| N | C9 | H2 | 125.1° | 125.9° |
| C6 | C7 | C8 | 109.1° | 107.5° |
| C6 | C7 | F | 125.9° | 126.3° |
| C7 | C6 | H4 | 126.3° | 125.9° |
| C9 | C8 | C7 | 105.3° | 107.5° |
| C9 | C8 | H1 | 127.3° | 126.2° |
| C8 | C9 | H2 | 125.1° | 125.9° |
| C8 | C7 | F | 125.0° | 126.2° |
| C7 | C8 | H1 | 127.3° | 126.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C1 | C3 | 1.3° | 179.6° |
| O2 | C2 | C1 | O1 | 179.5° | 179.9° |
| O2 | C2 | C1 | C | 178.8° | 0.1° |
| O2 | C2 | O1 | H3 | 0.0° | 0.0° |
| I | C4 | C3 | C5 | 179.7° | 179.9° |
| I | C4 | C3 | C1 | 180.0° | 180.0° |
| I | C4 | C5 | N | 4.0° | 0.1° |
| I | C4 | C5 | C10 | 178.5° | 180.0° |
| I | C4 | C3 | H5 | 0.0° | 0.0° |
| C4 | C3 | C1 | H5 | 180.0° | 180.0° |
| C4 | C3 | C1 | C2 | 179.4° | 179.7° |
| C4 | C3 | C1 | C | 0.8° | 0.1° |
| C3 | C4 | C5 | N | 176.3° | 180.0° |
| C3 | C4 | C5 | C10 | 1.2° | 0.0° |
| C3 | C1 | C2 | C | 179.8° | 179.6° |
| C3 | C1 | C2 | O1 | 179.2° | 0.4° |
| C1 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C1 | C | C10 | 0.2° | 0.1° |
| C3 | C1 | C | O | 179.4° | 180.0° |
| C2 | C1 | C | C10 | 179.6° | 179.7° |
| C2 | C1 | C | O | 0.8° | 0.4° |
| C1 | C2 | O1 | H3 | 179.5° | 179.9° |
| C2 | C1 | C3 | H5 | 0.6° | 0.3° |
| O1 | C2 | C1 | C | 0.6° | 180.0° |
| C4 | C5 | N | C10 | 177.7° | 179.9° |
| C4 | C5 | C10 | C | 2.1° | 0.0° |
| C4 | C5 | N | C6 | 107.8° | 65.1° |
| C4 | C5 | N | C9 | 78.5° | 114.4° |
| C4 | C5 | C10 | I1 | 175.8° | 180.0° |
| C5 | C4 | C3 | H5 | 179.7° | 180.0° |
| C1 | C | C10 | C5 | 1.6° | 0.1° |
| C1 | C | C10 | O | 179.6° | 179.9° |
| C1 | C | C10 | I1 | 176.4° | 179.9° |
| C | C1 | C3 | H5 | 179.2° | 179.9° |
| C1 | C | O | H6 | 180.0° | 90.1° |
| N | C5 | C10 | C | 175.6° | 180.0° |
| C5 | N | C6 | C9 | 174.7° | 179.5° |
| N | C5 | C10 | I1 | 6.5° | 0.0° |
| C5 | N | C6 | C7 | 173.2° | 180.0° |
| C5 | N | C9 | C8 | 173.0° | 179.8° |
| C5 | N | C9 | H2 | 7.0° | 0.2° |
| C5 | N | C6 | H4 | 6.8° | 0.4° |
| C5 | C10 | C | I1 | 178.0° | 180.0° |
| C5 | C10 | C | O | 178.0° | 180.0° |
| C10 | C5 | N | C6 | 69.9° | 115.0° |
| C10 | C5 | N | C9 | 103.8° | 65.5° |
| C10 | C | O | H6 | 0.5° | 90.0° |
| O | C | C10 | I1 | 4.0° | 0.0° |
| N | C6 | C7 | H4 | 180.0° | 179.7° |
| C6 | N | C9 | C8 | 1.7° | 0.2° |
| N | C6 | C7 | C8 | 0.8° | 0.4° |
| N | C6 | C7 | F | 179.1° | 179.8° |
| C6 | N | C9 | H2 | 178.4° | 179.8° |
| C9 | N | C6 | C7 | 1.5° | 0.4° |
| N | C9 | C8 | H2 | 180.0° | 180.0° |
| N | C9 | C8 | C7 | 1.2° | 0.0° |
| N | C9 | C8 | H1 | 178.8° | 180.0° |
| C9 | N | C6 | H4 | 178.5° | 179.9° |
| C6 | C7 | C8 | C9 | 0.2° | 0.3° |
| C6 | C7 | C8 | F | 179.9° | 179.8° |
| C6 | C7 | C8 | H1 | 179.7° | 179.8° |
| C9 | C8 | C7 | H1 | 180.0° | 180.0° |
| C9 | C8 | C7 | F | 179.9° | 180.0° |
| C7 | C8 | C9 | H2 | 178.9° | 180.0° |
| C8 | C7 | C6 | H4 | 179.2° | 179.9° |
| F | C7 | C8 | H1 | 0.1° | 0.0° |
| F | C7 | C6 | H4 | 0.9° | 0.2° |
| H1 | C8 | C9 | H2 | 1.2° | 0.0° |
