K7M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | N7 | sing | 1.46Å | 1.19Å | |
| C48 | C49 | doub | 1.38Å | 1.51Å | Aromatic |
| C48 | C47 | sing | 1.38Å | 1.31Å | Aromatic |
| N7 | C41 | sing | 1.47Å | 1.46Å | |
| C49 | C44 | sing | 1.38Å | 1.32Å | Aromatic |
| C47 | C46 | doub | 1.38Å | 1.52Å | Aromatic |
| C44 | C43 | sing | 1.51Å | 1.53Å | |
| C44 | C45 | doub | 1.38Å | 1.52Å | Aromatic |
| C41 | C43 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C46 | C45 | sing | 1.38Å | 1.31Å | Aromatic |
| C45 | H1 | sing | 1.08Å | 1.08Å | |
| C46 | H2 | sing | 1.08Å | 1.08Å | |
| C47 | H3 | sing | 1.08Å | 1.08Å | |
| C48 | H4 | sing | 1.08Å | 1.08Å | |
| C49 | H5 | sing | 1.08Å | 1.08Å | |
| C43 | H6 | sing | 1.09Å | 1.10Å | |
| C43 | H7 | sing | 1.09Å | 1.10Å | |
| C41 | H8 | sing | 1.09Å | 1.10Å | |
| C42 | H9 | sing | 1.09Å | 1.10Å | |
| C42 | H10 | sing | 1.09Å | 1.10Å | |
| C42 | H11 | sing | 1.09Å | 1.10Å | |
| N7 | H12 | sing | 1.01Å | 1.00Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | N7 | C41 | 122.6° | 111.0° |
| O1 | N7 | H12 | 106.1° | 111.0° |
| N7 | O1 | H13 | 109.5° | 114.0° |
| C49 | C48 | C47 | 119.7° | 120.0° |
| C48 | C49 | C44 | 119.7° | 120.0° |
| C49 | C48 | H4 | 120.2° | 120.0° |
| C48 | C49 | H5 | 120.1° | 120.0° |
| C48 | C47 | C46 | 121.2° | 120.0° |
| C48 | C47 | H3 | 119.4° | 120.0° |
| C47 | C48 | H4 | 120.2° | 120.0° |
| N7 | C41 | C43 | 109.5° | 109.5° |
| N7 | C41 | C42 | 113.4° | 109.5° |
| N7 | C41 | H8 | 107.8° | 109.4° |
| C41 | N7 | H12 | 106.1° | 111.0° |
| C49 | C44 | C43 | 120.2° | 120.0° |
| C49 | C44 | C45 | 120.4° | 120.0° |
| C44 | C49 | H5 | 120.1° | 120.0° |
| C47 | C46 | C45 | 119.1° | 120.0° |
| C47 | C46 | H2 | 120.4° | 119.9° |
| C46 | C47 | H3 | 119.4° | 120.0° |
| C43 | C44 | C45 | 119.4° | 120.0° |
| C44 | C43 | C41 | 112.5° | 109.5° |
| C44 | C43 | H6 | 108.7° | 109.5° |
| C44 | C43 | H7 | 108.7° | 109.5° |
| C44 | C45 | C46 | 119.8° | 120.0° |
| C44 | C45 | H1 | 120.1° | 120.0° |
| C43 | C41 | C42 | 112.0° | 109.5° |
| C41 | C43 | H6 | 108.7° | 109.4° |
| C41 | C43 | H7 | 108.7° | 109.5° |
| C43 | C41 | H8 | 107.0° | 109.5° |
| C42 | C41 | H8 | 106.7° | 109.5° |
| C41 | C42 | H9 | 109.5° | 109.5° |
| C41 | C42 | H10 | 109.4° | 109.5° |
| C41 | C42 | H11 | 109.5° | 109.5° |
| C46 | C45 | H1 | 120.1° | 120.0° |
| C45 | C46 | H2 | 120.4° | 120.1° |
| H6 | C43 | H7 | 109.5° | 109.5° |
| H9 | C42 | H10 | 109.5° | 109.4° |
| H9 | C42 | H11 | 109.5° | 109.4° |
| H10 | C42 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | N7 | C41 | H12 | 121.8° | 124.0° |
| O1 | N7 | C41 | C43 | 49.6° | 150.0° |
| O1 | N7 | C41 | C42 | 175.6° | 89.9° |
| O1 | N7 | C41 | H8 | 66.5° | 30.0° |
| C49 | C48 | C47 | H4 | 180.0° | 179.9° |
| C48 | C49 | C44 | H5 | 180.0° | 179.8° |
| C49 | C48 | C47 | C46 | 1.2° | 0.1° |
| C48 | C49 | C44 | C43 | 177.6° | 179.9° |
| C48 | C49 | C44 | C45 | 0.7° | 0.5° |
| C49 | C48 | C47 | H3 | 178.8° | 179.9° |
| C47 | C48 | C49 | C44 | 0.8° | 0.2° |
| C48 | C47 | C46 | H3 | 180.0° | 180.0° |
| C48 | C47 | C46 | C45 | 0.2° | 0.0° |
| C48 | C47 | C46 | H2 | 179.8° | 179.9° |
| C47 | C48 | C49 | H5 | 179.2° | 180.0° |
| N7 | C41 | C43 | C44 | 51.5° | 65.0° |
| N7 | C41 | C43 | C42 | 126.7° | 120.1° |
| N7 | C41 | C43 | H8 | 116.6° | 120.0° |
| N7 | C41 | C42 | H8 | 118.6° | 120.0° |
| N7 | C41 | C43 | H6 | 69.0° | 175.0° |
| N7 | C41 | C43 | H7 | 171.9° | 55.0° |
| N7 | C41 | C42 | H9 | 180.0° | 60.0° |
| N7 | C41 | C42 | H10 | 60.0° | 180.0° |
| N7 | C41 | C42 | H11 | 60.0° | 60.0° |
| C41 | N7 | O1 | H13 | 180.0° | 180.0° |
| C49 | C44 | C43 | C45 | 177.0° | 179.4° |
| C49 | C44 | C43 | C41 | 90.4° | 90.0° |
| C49 | C44 | C45 | C46 | 1.7° | 0.6° |
| C49 | C44 | C45 | H1 | 178.4° | 179.7° |
| C44 | C49 | C48 | H4 | 179.3° | 179.9° |
| C49 | C44 | C43 | H6 | 30.0° | 150.1° |
| C49 | C44 | C43 | H7 | 149.1° | 30.0° |
| C47 | C46 | C45 | C44 | 1.2° | 0.4° |
| C47 | C46 | C45 | H2 | 180.0° | 179.9° |
| C47 | C46 | C45 | H1 | 178.8° | 180.0° |
| C46 | C47 | C48 | H4 | 178.8° | 179.8° |
| C44 | C43 | C41 | H6 | 120.5° | 120.0° |
| C44 | C43 | C41 | H7 | 120.4° | 120.0° |
| C44 | C43 | C41 | C42 | 75.3° | 175.0° |
| C43 | C44 | C45 | C46 | 178.6° | 180.0° |
| C43 | C44 | C45 | H1 | 1.4° | 0.3° |
| C43 | C44 | C49 | H5 | 2.4° | 0.3° |
| C44 | C43 | H6 | H7 | 118.6° | 120.1° |
| C44 | C43 | C41 | H8 | 168.1° | 55.0° |
| C45 | C44 | C43 | C41 | 92.6° | 90.6° |
| C44 | C45 | C46 | H1 | 180.0° | 179.7° |
| C44 | C45 | C46 | H2 | 178.8° | 179.7° |
| C45 | C44 | C49 | H5 | 179.3° | 179.7° |
| C45 | C44 | C43 | H6 | 147.0° | 29.4° |
| C45 | C44 | C43 | H7 | 27.9° | 149.4° |
| C43 | C41 | C42 | H8 | 116.8° | 120.0° |
| C41 | C43 | H6 | H7 | 118.6° | 120.0° |
| C43 | C41 | C42 | H9 | 55.4° | 180.0° |
| C43 | C41 | C42 | H10 | 64.6° | 60.0° |
| C43 | C41 | C42 | H11 | 175.4° | 60.0° |
| C43 | C41 | N7 | H12 | 72.2° | 26.0° |
| C42 | C41 | C43 | H6 | 164.3° | 55.0° |
| C42 | C41 | C43 | H7 | 45.2° | 65.0° |
| C41 | C42 | H9 | H10 | 120.0° | 120.1° |
| C41 | C42 | H9 | H11 | 120.0° | 120.0° |
| C41 | C42 | H10 | H11 | 120.0° | 120.1° |
| C42 | C41 | N7 | H12 | 53.8° | 146.0° |
| C45 | C46 | C47 | H3 | 179.8° | 180.0° |
| H1 | C45 | C46 | H2 | 1.2° | 0.1° |
| H2 | C46 | C47 | H3 | 0.2° | 0.1° |
| H3 | C47 | C48 | H4 | 1.2° | 0.2° |
| H4 | C48 | C49 | H5 | 0.8° | 0.1° |
| H6 | C43 | C41 | H8 | 47.6° | 65.0° |
| H7 | C43 | C41 | H8 | 71.5° | 175.0° |
| H8 | C41 | C42 | H9 | 61.4° | 60.0° |
| H8 | C41 | C42 | H10 | 178.5° | 60.0° |
| H8 | C41 | C42 | H11 | 58.6° | 180.0° |
| H8 | C41 | N7 | H12 | 171.7° | 94.0° |
| H9 | C42 | H10 | H11 | 120.0° | 119.9° |
| H12 | N7 | O1 | H13 | 58.2° | 56.0° |
