K5V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.32Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | N4 | sing | 1.40Å | 1.41Å | |
| C4 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.33Å | Aromatic |
| C2 | O2 | sing | 1.36Å | 1.39Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| N4 | H5 | sing | 0.97Å | 1.00Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C1 | 121.9° | 120.2° |
| C6 | C5 | C4 | 120.8° | 120.0° |
| C6 | C5 | H2 | 119.6° | 120.0° |
| C5 | C6 | H3 | 119.0° | 119.9° |
| C6 | C1 | C2 | 119.0° | 120.1° |
| C1 | C6 | H3 | 119.1° | 119.9° |
| C6 | C1 | H4 | 120.5° | 120.0° |
| C5 | C4 | N4 | 127.9° | 120.0° |
| C5 | C4 | C3 | 115.6° | 119.9° |
| C4 | C5 | H2 | 119.6° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C1 | C2 | O2 | 120.1° | 120.0° |
| C2 | C1 | H4 | 120.5° | 119.9° |
| N4 | C4 | C3 | 116.2° | 120.1° |
| C4 | N4 | H5 | 109.5° | 120.0° |
| C4 | N4 | H6 | 109.5° | 120.0° |
| C4 | C3 | C2 | 122.4° | 119.9° |
| C4 | C3 | H1 | 118.8° | 120.1° |
| C3 | C2 | O2 | 120.0° | 120.0° |
| C2 | C3 | H1 | 118.8° | 120.1° |
| C2 | O2 | H7 | 109.5° | 114.0° |
| H5 | N4 | H6 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C1 | H3 | 180.0° | 179.7° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 3.1° | 0.6° |
| C6 | C5 | C4 | N4 | 175.4° | 180.0° |
| C6 | C5 | C4 | C3 | 1.5° | 0.0° |
| C5 | C6 | C1 | H4 | 176.9° | 179.9° |
| C1 | C6 | C5 | C4 | 0.9° | 0.3° |
| C6 | C1 | C2 | H4 | 180.0° | 179.5° |
| C6 | C1 | C2 | C3 | 6.3° | 0.6° |
| C6 | C1 | C2 | O2 | 173.7° | 179.7° |
| C1 | C6 | C5 | H2 | 179.1° | 179.7° |
| C5 | C4 | N4 | C3 | 173.9° | 180.0° |
| C5 | C4 | C3 | C2 | 4.8° | 0.0° |
| C5 | C4 | C3 | H1 | 175.2° | 180.0° |
| C4 | C5 | C6 | H3 | 179.1° | 180.0° |
| C5 | C4 | N4 | H5 | 180.0° | 180.0° |
| C5 | C4 | N4 | H6 | 60.0° | 0.1° |
| C1 | C2 | C3 | C4 | 7.2° | 0.3° |
| C1 | C2 | C3 | O2 | 180.0° | 179.7° |
| C1 | C2 | C3 | H1 | 172.8° | 179.7° |
| C2 | C1 | C6 | H3 | 176.9° | 179.7° |
| C1 | C2 | O2 | H7 | 180.0° | 90.2° |
| N4 | C4 | C3 | C2 | 179.4° | 180.0° |
| N4 | C4 | C3 | H1 | 0.6° | 0.0° |
| N4 | C4 | C5 | H2 | 4.6° | 0.0° |
| C4 | N4 | H5 | H6 | 120.0° | 180.0° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | O2 | 172.7° | 180.0° |
| C3 | C4 | C5 | H2 | 178.5° | 180.0° |
| C3 | C4 | N4 | H5 | 6.1° | 0.0° |
| C3 | C4 | N4 | H6 | 126.1° | 180.0° |
| C3 | C2 | C1 | H4 | 173.7° | 179.9° |
| C3 | C2 | O2 | H7 | 0.0° | 90.1° |
| O2 | C2 | C3 | H1 | 7.2° | 0.0° |
| O2 | C2 | C1 | H4 | 6.3° | 0.2° |
| H2 | C5 | C6 | H3 | 0.9° | 0.1° |
| H3 | C6 | C1 | H4 | 3.1° | 0.3° |
