K2V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C9 | doub | 1.32Å | 1.37Å | Aromatic |
| N1 | C10 | sing | 1.32Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | N2 | doub | 1.32Å | 1.37Å | Aromatic |
| N2 | C11 | sing | 1.32Å | 1.37Å | Aromatic |
| C8 | C11 | doub | 1.40Å | 1.43Å | Aromatic |
| C8 | C5 | sing | 1.48Å | 1.49Å | |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C | C1 | sing | 1.53Å | 1.55Å | |
| C1 | N | sing | 1.47Å | 1.48Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 1.01Å | 1.00Å | |
| N | H6 | sing | 1.01Å | 1.00Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N1 | C10 | 116.6° | 120.9° |
| N1 | C9 | C8 | 123.3° | 118.9° |
| N1 | C9 | H14 | 118.4° | 120.5° |
| N1 | C10 | N2 | 125.5° | 122.1° |
| N1 | C10 | H4 | 117.3° | 119.0° |
| C9 | C8 | C11 | 114.8° | 118.2° |
| C9 | C8 | C5 | 122.9° | 120.9° |
| C8 | C9 | H14 | 118.4° | 120.6° |
| C10 | N2 | C11 | 116.9° | 121.0° |
| N2 | C10 | H4 | 117.3° | 118.9° |
| N2 | C11 | C8 | 123.0° | 118.9° |
| N2 | C11 | H12 | 118.5° | 120.6° |
| C11 | C8 | C5 | 122.2° | 120.9° |
| C8 | C11 | H12 | 118.5° | 120.5° |
| C8 | C5 | C6 | 122.0° | 120.1° |
| C8 | C5 | C4 | 119.8° | 120.1° |
| C6 | C5 | C4 | 118.2° | 119.8° |
| C5 | C6 | C7 | 119.9° | 119.9° |
| C5 | C6 | H2 | 120.1° | 120.1° |
| C5 | C4 | C3 | 121.4° | 119.9° |
| C5 | C4 | H1 | 119.3° | 120.0° |
| C6 | C7 | C2 | 120.2° | 120.1° |
| C7 | C6 | H2 | 120.0° | 120.1° |
| C6 | C7 | H3 | 119.9° | 120.0° |
| C4 | C3 | C2 | 121.1° | 120.1° |
| C3 | C4 | H1 | 119.3° | 120.1° |
| C4 | C3 | H13 | 119.4° | 119.9° |
| C7 | C2 | C3 | 119.1° | 120.2° |
| C7 | C2 | C1 | 123.3° | 119.9° |
| C2 | C7 | H3 | 119.9° | 119.9° |
| C3 | C2 | C1 | 117.5° | 119.9° |
| C2 | C3 | H13 | 119.4° | 120.0° |
| C2 | C1 | C | 112.3° | 109.5° |
| C2 | C1 | N | 106.6° | 109.5° |
| C2 | C1 | H11 | 109.1° | 109.4° |
| C | C1 | N | 110.0° | 109.5° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.4° |
| C | C1 | H11 | 109.0° | 109.4° |
| C1 | N | H5 | 109.5° | 111.0° |
| C1 | N | H6 | 109.4° | 111.0° |
| N | C1 | H11 | 109.9° | 109.5° |
| H5 | N | H6 | 109.5° | 111.1° |
| H8 | C | H9 | 109.4° | 109.5° |
| H8 | C | H10 | 109.5° | 109.5° |
| H9 | C | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C9 | C8 | H14 | 180.0° | 180.0° |
| C9 | N1 | C10 | N2 | 0.4° | 0.1° |
| N1 | C9 | C8 | C11 | 0.9° | 0.0° |
| N1 | C9 | C8 | C5 | 177.3° | 180.0° |
| C9 | N1 | C10 | H4 | 179.6° | 180.0° |
| C10 | N1 | C9 | C8 | 0.5° | 0.0° |
| N1 | C10 | N2 | H4 | 180.0° | 179.9° |
| N1 | C10 | N2 | C11 | 0.8° | 0.0° |
| C10 | N1 | C9 | H14 | 179.5° | 180.0° |
| C9 | C8 | C11 | N2 | 0.4° | 0.1° |
| C9 | C8 | C11 | C5 | 178.2° | 179.9° |
| C9 | C8 | C5 | C6 | 28.1° | 0.0° |
| C9 | C8 | C5 | C4 | 153.8° | 180.0° |
| C9 | C8 | C11 | H12 | 179.6° | 180.0° |
| C10 | N2 | C11 | C8 | 0.4° | 0.1° |
| C10 | N2 | C11 | H12 | 179.6° | 180.0° |
| N2 | C11 | C8 | H12 | 180.0° | 179.9° |
| N2 | C11 | C8 | C5 | 177.8° | 180.0° |
| C11 | N2 | C10 | H4 | 179.2° | 179.9° |
| C11 | C8 | C5 | C6 | 149.9° | 179.9° |
| C11 | C8 | C5 | C4 | 28.2° | 0.1° |
| C11 | C8 | C9 | H14 | 179.1° | 180.0° |
| C8 | C5 | C6 | C4 | 178.2° | 180.0° |
| C8 | C5 | C6 | C7 | 177.6° | 180.0° |
| C8 | C5 | C4 | C3 | 177.6° | 180.0° |
| C8 | C5 | C4 | H1 | 2.4° | 0.4° |
| C8 | C5 | C6 | H2 | 2.4° | 0.0° |
| C5 | C8 | C11 | H12 | 2.2° | 0.1° |
| C5 | C8 | C9 | H14 | 2.7° | 0.0° |
| C5 | C6 | C7 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.6° | 0.0° |
| C5 | C6 | C7 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | H1 | 179.4° | 179.7° |
| C5 | C6 | C7 | H3 | 179.8° | 179.9° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | H2 | 179.4° | 179.9° |
| C5 | C4 | C3 | H13 | 180.0° | 179.7° |
| C6 | C7 | C2 | H3 | 180.0° | 179.9° |
| C6 | C7 | C2 | C3 | 0.8° | 0.1° |
| C6 | C7 | C2 | C1 | 176.1° | 180.0° |
| C4 | C3 | C2 | C7 | 0.7° | 0.1° |
| C4 | C3 | C2 | H13 | 180.0° | 179.8° |
| C4 | C3 | C2 | C1 | 176.4° | 180.0° |
| C7 | C2 | C3 | C1 | 177.1° | 179.9° |
| C7 | C2 | C1 | C | 41.0° | 99.9° |
| C7 | C2 | C1 | N | 79.5° | 140.1° |
| C2 | C7 | C6 | H2 | 179.8° | 179.9° |
| C7 | C2 | C1 | H11 | 161.9° | 20.0° |
| C7 | C2 | C3 | H13 | 179.3° | 179.7° |
| C3 | C2 | C1 | C | 142.0° | 80.0° |
| C3 | C2 | C1 | N | 97.4° | 40.0° |
| C2 | C3 | C4 | H1 | 180.0° | 179.7° |
| C3 | C2 | C7 | H3 | 179.2° | 180.0° |
| C3 | C2 | C1 | H11 | 21.1° | 160.1° |
| C2 | C1 | C | N | 118.5° | 120.0° |
| C2 | C1 | C | H11 | 121.0° | 119.9° |
| C2 | C1 | N | H11 | 118.0° | 120.0° |
| C1 | C2 | C7 | H3 | 3.9° | 0.1° |
| C2 | C1 | N | H5 | 180.0° | 60.0° |
| C2 | C1 | N | H6 | 60.0° | 64.0° |
| C2 | C1 | C | H8 | 180.0° | 180.0° |
| C2 | C1 | C | H9 | 60.0° | 60.0° |
| C2 | C1 | C | H10 | 60.0° | 60.0° |
| C1 | C2 | C3 | H13 | 3.7° | 0.2° |
| C | C1 | N | H11 | 120.0° | 120.0° |
| C | C1 | N | H5 | 58.0° | 59.9° |
| C | C1 | N | H6 | 62.0° | 176.0° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | N | H5 | H6 | 120.0° | 124.0° |
| N | C1 | C | H8 | 61.5° | 60.0° |
| N | C1 | C | H9 | 178.5° | 180.0° |
| N | C1 | C | H10 | 58.5° | 60.0° |
| H1 | C4 | C3 | H13 | 0.0° | 0.1° |
| H2 | C6 | C7 | H3 | 0.1° | 0.0° |
| H5 | N | C1 | H11 | 62.0° | 180.0° |
| H6 | N | C1 | H11 | 178.0° | 56.0° |
| H8 | C | H9 | H10 | 120.0° | 120.0° |
| H8 | C | C1 | H11 | 59.0° | 60.1° |
| H9 | C | C1 | H11 | 61.0° | 59.9° |
| H10 | C | C1 | H11 | 179.0° | 179.9° |
