K7H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.46Å | 1.45Å | |
| N | C1 | sing | 1.38Å | 1.33Å | |
| C1 | N1 | sing | 1.37Å | 1.32Å | Aromatic |
| C1 | N2 | doub | 1.31Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| N2 | C3 | sing | 1.36Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| C2 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | N5 | sing | 1.37Å | 1.39Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| N5 | C7 | doub | 1.31Å | 1.33Å | |
| C6 | N3 | sing | 1.47Å | 1.45Å | |
| C7 | N3 | sing | 1.38Å | 1.41Å | |
| C7 | N4 | sing | 1.37Å | 1.34Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| N4 | H3 | sing | 0.97Å | 1.00Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 123.6° | 120.0° |
| C | N | H10 | 105.8° | 120.0° |
| N | C | H11 | 109.5° | 109.5° |
| N | C | H12 | 109.5° | 109.5° |
| N | C | H13 | 109.4° | 109.5° |
| N | C1 | N1 | 124.9° | 125.1° |
| N | C1 | N2 | 122.1° | 125.1° |
| C1 | N | H10 | 105.8° | 119.9° |
| N1 | C1 | N2 | 112.9° | 109.9° |
| C1 | N1 | C2 | 104.9° | 107.3° |
| C1 | N1 | H8 | 127.6° | 126.4° |
| C1 | N2 | C3 | 107.1° | 109.6° |
| N1 | C2 | C3 | 109.3° | 106.1° |
| N1 | C2 | C9 | 130.7° | 133.8° |
| C2 | N1 | H8 | 127.5° | 126.3° |
| N2 | C3 | C2 | 105.6° | 107.1° |
| N2 | C3 | C4 | 132.0° | 133.5° |
| C3 | C2 | C9 | 119.9° | 120.1° |
| C2 | C3 | C4 | 122.2° | 119.4° |
| C2 | C9 | C8 | 117.9° | 119.6° |
| C2 | C9 | H7 | 121.1° | 120.2° |
| C3 | C4 | C5 | 118.5° | 120.4° |
| C3 | C4 | H2 | 120.8° | 119.6° |
| C9 | C8 | C5 | 121.8° | 119.9° |
| C9 | C8 | N5 | 116.6° | 120.0° |
| C8 | C9 | H7 | 121.0° | 120.2° |
| C4 | C5 | C8 | 119.6° | 120.6° |
| C4 | C5 | C6 | 119.8° | 120.4° |
| C5 | C4 | H2 | 120.7° | 120.0° |
| C5 | C8 | N5 | 121.5° | 120.1° |
| C8 | C5 | C6 | 120.5° | 119.0° |
| C8 | N5 | C7 | 117.8° | 121.0° |
| C5 | C6 | N3 | 111.6° | 107.8° |
| C5 | C6 | H5 | 108.9° | 109.8° |
| C5 | C6 | H6 | 109.0° | 109.8° |
| N5 | C7 | N3 | 124.6° | 120.3° |
| N5 | C7 | N4 | 119.8° | 119.8° |
| C6 | N3 | C7 | 119.0° | 118.6° |
| C6 | N3 | H1 | 120.5° | 120.7° |
| N3 | C6 | H5 | 108.9° | 109.7° |
| N3 | C6 | H6 | 108.9° | 109.8° |
| N3 | C7 | N4 | 115.6° | 119.9° |
| C7 | N3 | H1 | 120.5° | 120.7° |
| C7 | N4 | H3 | 120.0° | 120.0° |
| C7 | N4 | H4 | 120.0° | 120.0° |
| H3 | N4 | H4 | 120.0° | 120.0° |
| H5 | C6 | H6 | 109.5° | 109.8° |
| H11 | C | H12 | 109.4° | 109.5° |
| H11 | C | H13 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | H10 | 121.9° | 180.0° |
| C | N | C1 | N1 | 2.2° | 0.0° |
| C | N | C1 | N2 | 179.3° | 180.0° |
| N | C | H11 | H12 | 120.0° | 120.0° |
| N | C | H11 | H13 | 120.0° | 120.0° |
| N | C | H12 | H13 | 120.0° | 120.0° |
| N | C1 | N1 | N2 | 177.4° | 180.0° |
| N | C1 | N1 | C2 | 176.1° | 180.0° |
| N | C1 | N2 | C3 | 175.7° | 180.0° |
| N | C1 | N1 | H8 | 3.9° | 0.1° |
| C1 | N | C | H11 | 180.0° | 60.0° |
| C1 | N | C | H12 | 60.0° | 60.0° |
| C1 | N | C | H13 | 60.0° | 180.0° |
| C1 | N1 | C2 | H8 | 180.0° | 179.9° |
| N1 | C1 | N2 | C3 | 1.8° | 0.1° |
| C1 | N1 | C2 | C3 | 0.2° | 0.0° |
| C1 | N1 | C2 | C9 | 175.7° | 180.0° |
| N1 | C1 | N | H10 | 124.1° | 180.0° |
| N2 | C1 | N1 | C2 | 1.3° | 0.0° |
| C1 | N2 | C3 | C2 | 1.5° | 0.1° |
| C1 | N2 | C3 | C4 | 174.2° | 180.0° |
| N2 | C1 | N1 | H8 | 178.7° | 180.0° |
| N2 | C1 | N | H10 | 58.7° | 0.0° |
| N1 | C2 | C3 | N2 | 0.8° | 0.1° |
| N1 | C2 | C3 | C9 | 176.5° | 180.0° |
| N1 | C2 | C3 | C4 | 175.4° | 180.0° |
| N1 | C2 | C9 | C8 | 172.5° | 180.0° |
| N1 | C2 | C9 | H7 | 7.5° | 0.0° |
| N2 | C3 | C2 | C4 | 176.2° | 179.9° |
| N2 | C3 | C2 | C9 | 177.3° | 180.0° |
| N2 | C3 | C4 | C5 | 173.1° | 180.0° |
| N2 | C3 | C4 | H2 | 6.9° | 0.1° |
| C3 | C2 | C9 | C8 | 3.1° | 0.0° |
| C2 | C3 | C4 | C5 | 2.1° | 0.1° |
| C2 | C3 | C4 | H2 | 177.9° | 180.0° |
| C3 | C2 | C9 | H7 | 176.9° | 180.0° |
| C3 | C2 | N1 | H8 | 179.8° | 179.9° |
| C9 | C2 | C3 | C4 | 1.0° | 0.0° |
| C2 | C9 | C8 | H7 | 180.0° | 180.0° |
| C2 | C9 | C8 | C5 | 2.3° | 0.0° |
| C2 | C9 | C8 | N5 | 173.9° | 179.7° |
| C9 | C2 | N1 | H8 | 4.3° | 0.1° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C8 | 2.9° | 0.1° |
| C3 | C4 | C5 | C6 | 173.2° | 179.8° |
| C9 | C8 | C5 | C4 | 0.8° | 0.1° |
| C9 | C8 | C5 | N5 | 175.9° | 179.7° |
| C9 | C8 | C5 | C6 | 175.3° | 179.9° |
| C9 | C8 | N5 | C7 | 163.4° | 164.4° |
| C4 | C5 | C8 | C6 | 176.1° | 179.9° |
| C4 | C5 | C8 | N5 | 176.7° | 179.6° |
| C4 | C5 | C6 | N3 | 158.5° | 153.5° |
| C4 | C5 | C6 | H5 | 81.2° | 34.0° |
| C4 | C5 | C6 | H6 | 38.2° | 86.9° |
| C5 | C8 | N5 | C7 | 12.8° | 15.3° |
| C8 | C5 | C6 | N3 | 17.7° | 26.5° |
| C8 | C5 | C4 | H2 | 177.0° | 180.0° |
| C8 | C5 | C6 | H5 | 102.6° | 146.1° |
| C8 | C5 | C6 | H6 | 138.0° | 93.1° |
| C5 | C8 | C9 | H7 | 177.7° | 179.9° |
| N5 | C8 | C5 | C6 | 0.6° | 0.4° |
| C8 | N5 | C7 | N3 | 5.1° | 0.3° |
| C8 | N5 | C7 | N4 | 178.2° | 179.8° |
| N5 | C8 | C9 | H7 | 6.1° | 0.4° |
| C5 | C6 | N3 | H5 | 120.3° | 119.6° |
| C5 | C6 | N3 | H6 | 120.3° | 119.6° |
| C5 | C6 | N3 | C7 | 24.7° | 41.5° |
| C5 | C6 | N3 | H1 | 155.3° | 138.2° |
| C6 | C5 | C4 | H2 | 6.8° | 0.1° |
| C5 | C6 | H5 | H6 | 119.1° | 120.9° |
| N5 | C7 | N3 | C6 | 15.0° | 30.6° |
| N5 | C7 | N3 | N4 | 176.8° | 180.0° |
| N5 | C7 | N3 | H1 | 165.0° | 149.1° |
| N5 | C7 | N4 | H3 | 0.0° | 180.0° |
| N5 | C7 | N4 | H4 | 180.0° | 0.0° |
| C6 | N3 | C7 | H1 | 180.0° | 179.7° |
| C6 | N3 | C7 | N4 | 161.8° | 149.3° |
| N3 | C6 | H5 | H6 | 119.0° | 120.8° |
| N3 | C7 | N4 | H3 | 176.9° | 0.0° |
| N3 | C7 | N4 | H4 | 3.1° | 180.0° |
| C7 | N3 | C6 | H5 | 95.6° | 161.1° |
| C7 | N3 | C6 | H6 | 145.1° | 78.1° |
| N4 | C7 | N3 | H1 | 18.2° | 30.9° |
| C7 | N4 | H3 | H4 | 180.0° | 180.0° |
| H1 | N3 | C6 | H5 | 84.4° | 18.7° |
| H1 | N3 | C6 | H6 | 35.0° | 102.2° |
| H10 | N | C | H11 | 58.1° | 120.0° |
| H10 | N | C | H12 | 61.9° | 120.0° |
| H10 | N | C | H13 | 178.1° | 0.0° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
