K2M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.35Å | 1.38Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C4 | N1 | sing | 1.47Å | 1.49Å | |
| C | N1 | sing | 1.35Å | 1.48Å | |
| C | O | doub | 1.22Å | 1.25Å | |
| C3 | N2 | sing | 1.47Å | 1.52Å | |
| N1 | C1 | sing | 1.47Å | 1.44Å | |
| C7 | C8 | sing | 1.40Å | 1.44Å | Aromatic |
| C7 | C6 | doub | 1.37Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | doub | 1.35Å | 1.33Å | Aromatic |
| N2 | C2 | sing | 1.47Å | 1.50Å | |
| N2 | C5 | sing | 1.35Å | 1.40Å | |
| C6 | C5 | sing | 1.47Å | 1.47Å | |
| C6 | O2 | sing | 1.35Å | 1.36Å | Aromatic |
| C9 | O2 | sing | 1.34Å | 1.38Å | Aromatic |
| C5 | O1 | doub | 1.22Å | 1.24Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | N1 | 115.8° | 120.0° |
| N | C | O | 120.7° | 120.0° |
| C | N | H5 | 120.0° | 120.0° |
| C | N | H6 | 120.0° | 120.0° |
| C3 | C4 | N1 | 113.2° | 108.7° |
| C4 | C3 | N2 | 115.0° | 108.6° |
| C3 | C4 | H1 | 108.5° | 109.6° |
| C3 | C4 | H2 | 108.5° | 109.6° |
| C4 | C3 | H11 | 108.1° | 109.6° |
| C4 | C3 | H12 | 108.1° | 109.6° |
| C4 | N1 | C | 118.9° | 120.6° |
| C4 | N1 | C1 | 108.8° | 118.9° |
| N1 | C4 | H1 | 108.5° | 109.6° |
| N1 | C4 | H2 | 108.5° | 109.6° |
| N1 | C | O | 123.5° | 120.0° |
| C | N1 | C1 | 116.5° | 120.6° |
| C3 | N2 | C2 | 119.0° | 118.9° |
| C3 | N2 | C5 | 124.9° | 120.6° |
| N2 | C3 | H11 | 108.1° | 109.6° |
| N2 | C3 | H12 | 108.1° | 109.6° |
| N1 | C1 | C2 | 109.3° | 108.6° |
| N1 | C1 | H7 | 109.5° | 109.6° |
| N1 | C1 | H8 | 109.5° | 109.7° |
| C8 | C7 | C6 | 105.4° | 106.7° |
| C7 | C8 | C9 | 107.0° | 107.1° |
| C8 | C7 | H3 | 127.3° | 126.7° |
| C7 | C8 | H4 | 126.5° | 126.4° |
| C7 | C6 | C5 | 136.0° | 126.0° |
| C7 | C6 | O2 | 109.8° | 108.0° |
| C6 | C7 | H3 | 127.3° | 126.6° |
| C1 | C2 | N2 | 115.9° | 108.6° |
| C2 | C1 | H7 | 109.5° | 109.6° |
| C2 | C1 | H8 | 109.5° | 109.6° |
| C1 | C2 | H9 | 107.8° | 109.6° |
| C1 | C2 | H10 | 107.8° | 109.6° |
| C8 | C9 | O2 | 110.8° | 108.8° |
| C9 | C8 | H4 | 126.5° | 126.4° |
| C8 | C9 | H13 | 124.6° | 125.6° |
| C2 | N2 | C5 | 115.2° | 120.6° |
| N2 | C2 | H9 | 107.8° | 109.7° |
| N2 | C2 | H10 | 107.9° | 109.7° |
| N2 | C5 | C6 | 122.9° | 120.0° |
| N2 | C5 | O1 | 119.4° | 120.0° |
| C5 | C6 | O2 | 114.2° | 126.0° |
| C6 | C5 | O1 | 117.7° | 120.0° |
| C6 | O2 | C9 | 107.0° | 109.4° |
| O2 | C9 | H13 | 124.6° | 125.6° |
| H1 | C4 | H2 | 109.5° | 109.7° |
| H5 | N | H6 | 120.0° | 120.0° |
| H7 | C1 | H8 | 109.5° | 109.8° |
| H9 | C2 | H10 | 109.5° | 109.6° |
| H11 | C3 | H12 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | N1 | C4 | 14.3° | 174.4° |
| N | C | N1 | O | 179.9° | 179.9° |
| N | C | N1 | C1 | 119.2° | 5.3° |
| C | N | H5 | H6 | 180.0° | 179.9° |
| C3 | C4 | N1 | H1 | 120.6° | 119.8° |
| C3 | C4 | N1 | H2 | 120.5° | 119.7° |
| C3 | C4 | N1 | C | 163.1° | 124.6° |
| C4 | C3 | N2 | H11 | 120.8° | 119.7° |
| C4 | C3 | N2 | H12 | 120.8° | 119.7° |
| C3 | C4 | N1 | C1 | 60.3° | 55.2° |
| C4 | C3 | N2 | C2 | 6.5° | 55.2° |
| C4 | C3 | N2 | C5 | 175.0° | 124.8° |
| C3 | C4 | H1 | H2 | 118.3° | 120.4° |
| C4 | C3 | H11 | H12 | 117.5° | 120.4° |
| C4 | N1 | C | C1 | 133.4° | 179.8° |
| C4 | N1 | C | O | 165.6° | 5.5° |
| N1 | C4 | C3 | N2 | 27.4° | 49.4° |
| C4 | N1 | C1 | C2 | 70.1° | 55.2° |
| N1 | C4 | H1 | H2 | 118.3° | 120.4° |
| C4 | N1 | C1 | H7 | 49.8° | 64.5° |
| C4 | N1 | C1 | H8 | 169.9° | 174.9° |
| N1 | C4 | C3 | H11 | 93.4° | 70.3° |
| N1 | C4 | C3 | H12 | 148.2° | 169.2° |
| C | N1 | C1 | C2 | 152.1° | 124.6° |
| C | N1 | C4 | H1 | 76.3° | 4.8° |
| C | N1 | C4 | H2 | 42.6° | 115.7° |
| N1 | C | N | H5 | 179.9° | 5.0° |
| N1 | C | N | H6 | 0.1° | 174.9° |
| C | N1 | C1 | H7 | 87.9° | 115.7° |
| C | N1 | C1 | H8 | 32.1° | 4.8° |
| O | C | N1 | C1 | 61.0° | 174.8° |
| O | C | N | H5 | 0.0° | 174.9° |
| O | C | N | H6 | 180.0° | 5.2° |
| C3 | N2 | C2 | C1 | 16.6° | 55.2° |
| C3 | N2 | C2 | C5 | 169.6° | 180.0° |
| C3 | N2 | C5 | C6 | 9.8° | 6.4° |
| C3 | N2 | C5 | O1 | 170.8° | 173.6° |
| N2 | C3 | C4 | H1 | 93.2° | 169.2° |
| N2 | C3 | C4 | H2 | 147.9° | 70.3° |
| C3 | N2 | C2 | H9 | 137.5° | 175.0° |
| C3 | N2 | C2 | H10 | 104.4° | 64.5° |
| N2 | C3 | H11 | H12 | 117.5° | 120.5° |
| N1 | C1 | C2 | H7 | 120.0° | 119.7° |
| N1 | C1 | C2 | H8 | 119.9° | 119.8° |
| N1 | C1 | C2 | N2 | 48.2° | 49.4° |
| C1 | N1 | C4 | H1 | 60.3° | 175.0° |
| C1 | N1 | C4 | H2 | 179.2° | 64.5° |
| N1 | C1 | H7 | H8 | 120.1° | 120.5° |
| N1 | C1 | C2 | H9 | 169.1° | 169.2° |
| N1 | C1 | C2 | H10 | 72.7° | 70.5° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 177.1° | 180.0° |
| C8 | C7 | C6 | O2 | 0.3° | 0.3° |
| C7 | C8 | C9 | O2 | 0.4° | 0.2° |
| C7 | C8 | C9 | H13 | 179.5° | 179.9° |
| C6 | C7 | C8 | C9 | 0.4° | 0.0° |
| C7 | C6 | C5 | N2 | 28.7° | 172.5° |
| C7 | C6 | C5 | O2 | 177.3° | 179.7° |
| C7 | C6 | O2 | C9 | 0.0° | 0.4° |
| C7 | C6 | C5 | O1 | 151.9° | 7.4° |
| C6 | C7 | C8 | H4 | 179.6° | 180.0° |
| C1 | C2 | N2 | H9 | 120.9° | 119.8° |
| C1 | C2 | N2 | H10 | 120.9° | 119.7° |
| C1 | C2 | N2 | C5 | 173.8° | 124.8° |
| C2 | C1 | H7 | H8 | 120.1° | 120.4° |
| C1 | C2 | H9 | H10 | 117.1° | 120.3° |
| C8 | C9 | O2 | C6 | 0.3° | 0.4° |
| C8 | C9 | O2 | H13 | 180.0° | 179.7° |
| C9 | C8 | C7 | H3 | 179.5° | 179.9° |
| C2 | N2 | C5 | C6 | 178.7° | 173.6° |
| C2 | N2 | C5 | O1 | 1.9° | 6.4° |
| N2 | C2 | C1 | H7 | 71.8° | 70.3° |
| N2 | C2 | C1 | H8 | 168.2° | 169.1° |
| N2 | C2 | H9 | H10 | 117.1° | 120.5° |
| C2 | N2 | C3 | H11 | 114.3° | 64.5° |
| C2 | N2 | C3 | H12 | 127.3° | 174.9° |
| N2 | C5 | C6 | O1 | 179.4° | 180.0° |
| N2 | C5 | C6 | O2 | 154.0° | 7.1° |
| C5 | N2 | C2 | H9 | 52.9° | 5.0° |
| C5 | N2 | C2 | H10 | 65.2° | 115.5° |
| C5 | N2 | C3 | H11 | 54.2° | 115.5° |
| C5 | N2 | C3 | H12 | 64.1° | 5.0° |
| C5 | C6 | O2 | C9 | 178.0° | 179.8° |
| C5 | C6 | C7 | H3 | 3.0° | 0.1° |
| O2 | C6 | C5 | O1 | 25.4° | 172.9° |
| O2 | C6 | C7 | H3 | 179.7° | 179.8° |
| C6 | O2 | C9 | H13 | 179.7° | 179.9° |
| O2 | C9 | C8 | H4 | 179.6° | 179.8° |
| H1 | C4 | C3 | H11 | 146.0° | 49.5° |
| H1 | C4 | C3 | H12 | 27.6° | 71.0° |
| H2 | C4 | C3 | H11 | 27.1° | 169.9° |
| H2 | C4 | C3 | H12 | 91.3° | 49.4° |
| H3 | C7 | C8 | H4 | 0.5° | 0.1° |
| H4 | C8 | C9 | H13 | 0.5° | 0.0° |
| H7 | C1 | C2 | H9 | 49.2° | 49.5° |
| H7 | C1 | C2 | H10 | 167.3° | 169.8° |
| H8 | C1 | C2 | H9 | 70.9° | 71.1° |
| H8 | C1 | C2 | H10 | 47.2° | 49.3° |
