K07
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C7 | doub | 1.32Å | 1.38Å | Aromatic |
| N2 | C8 | sing | 1.33Å | 1.35Å | Aromatic |
| C7 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.41Å | Aromatic |
| C9 | C6 | sing | 1.40Å | 1.46Å | Aromatic |
| C9 | CL | sing | 1.74Å | 1.69Å | |
| C6 | N | sing | 1.39Å | 1.43Å | |
| N | C1 | sing | 1.47Å | 1.52Å | |
| N | C | sing | 1.47Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.55Å | 1.54Å | |
| C2 | C5 | sing | 1.55Å | 1.55Å | |
| C3 | C4 | sing | 1.54Å | 1.54Å | |
| C5 | O | sing | 1.44Å | 1.41Å | |
| C4 | O | sing | 1.43Å | 1.41Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N2 | C8 | 115.5° | 121.0° |
| N2 | C7 | N1 | 127.0° | 121.9° |
| N2 | C7 | H5 | 116.5° | 119.1° |
| N2 | C8 | C9 | 123.7° | 119.2° |
| N2 | C8 | H6 | 118.1° | 120.4° |
| C7 | N1 | C6 | 118.1° | 120.7° |
| N1 | C7 | H5 | 116.5° | 119.0° |
| C8 | C9 | C6 | 118.8° | 118.3° |
| C8 | C9 | CL | 111.3° | 120.8° |
| C9 | C8 | H6 | 118.1° | 120.4° |
| N1 | C6 | C9 | 117.0° | 118.9° |
| N1 | C6 | N | 113.1° | 120.6° |
| C6 | C9 | CL | 129.9° | 120.8° |
| C9 | C6 | N | 129.9° | 120.6° |
| C6 | N | C1 | 117.6° | 111.0° |
| C6 | N | C | 123.7° | 111.0° |
| C1 | N | C | 118.7° | 111.1° |
| N | C1 | C2 | 117.0° | 109.5° |
| N | C1 | H10 | 107.6° | 109.5° |
| N | C1 | H11 | 107.6° | 109.5° |
| N | C | H7 | 109.5° | 109.4° |
| N | C | H8 | 109.5° | 109.4° |
| N | C | H9 | 109.5° | 109.5° |
| C1 | C2 | C3 | 110.8° | 111.1° |
| C1 | C2 | C5 | 112.7° | 111.2° |
| C2 | C1 | H10 | 107.6° | 109.4° |
| C2 | C1 | H11 | 107.6° | 109.5° |
| C1 | C2 | H12 | 109.7° | 111.0° |
| C3 | C2 | C5 | 103.8° | 101.0° |
| C2 | C3 | C4 | 104.0° | 102.2° |
| C3 | C2 | H12 | 109.9° | 111.1° |
| C2 | C3 | H13 | 110.8° | 110.8° |
| C2 | C3 | H14 | 110.8° | 110.9° |
| C2 | C5 | O | 106.3° | 105.1° |
| C2 | C5 | H3 | 110.3° | 110.3° |
| C2 | C5 | H4 | 110.2° | 110.3° |
| C5 | C2 | H12 | 109.8° | 111.1° |
| C3 | C4 | O | 106.6° | 107.6° |
| C3 | C4 | H1 | 110.2° | 109.9° |
| C3 | C4 | H2 | 110.2° | 109.9° |
| C4 | C3 | H13 | 110.8° | 110.8° |
| C4 | C3 | H14 | 110.8° | 110.9° |
| C5 | O | C4 | 108.4° | 110.0° |
| O | C5 | H3 | 110.2° | 110.4° |
| O | C5 | H4 | 110.3° | 110.3° |
| O | C4 | H1 | 110.2° | 109.9° |
| O | C4 | H2 | 110.2° | 109.8° |
| H1 | C4 | H2 | 109.5° | 109.7° |
| H3 | C5 | H4 | 109.5° | 110.3° |
| H7 | C | H8 | 109.5° | 109.5° |
| H7 | C | H9 | 109.5° | 109.5° |
| H8 | C | H9 | 109.4° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C7 | N1 | H5 | 180.0° | 179.9° |
| C7 | N2 | C8 | C9 | 0.3° | 0.0° |
| N2 | C7 | N1 | C6 | 0.3° | 0.0° |
| C7 | N2 | C8 | H6 | 179.7° | 180.0° |
| C8 | N2 | C7 | N1 | 0.9° | 0.0° |
| N2 | C8 | C9 | H6 | 180.0° | 180.0° |
| N2 | C8 | C9 | C6 | 0.8° | 0.1° |
| N2 | C8 | C9 | CL | 179.0° | 180.0° |
| C8 | N2 | C7 | H5 | 179.1° | 179.9° |
| C7 | N1 | C6 | C9 | 0.8° | 0.1° |
| C7 | N1 | C6 | N | 176.3° | 180.0° |
| C8 | C9 | C6 | N1 | 1.3° | 0.1° |
| C8 | C9 | C6 | CL | 179.8° | 179.9° |
| C8 | C9 | C6 | N | 175.2° | 180.0° |
| N1 | C6 | C9 | N | 176.6° | 179.9° |
| N1 | C6 | C9 | CL | 178.4° | 180.0° |
| N1 | C6 | N | C1 | 22.2° | 55.7° |
| N1 | C6 | N | C | 155.2° | 68.3° |
| C6 | N1 | C7 | H5 | 179.7° | 179.9° |
| C9 | C6 | N | C1 | 161.2° | 124.4° |
| C9 | C6 | N | C | 21.4° | 111.6° |
| C6 | C9 | C8 | H6 | 179.3° | 180.0° |
| CL | C9 | C6 | N | 5.0° | 0.1° |
| CL | C9 | C8 | H6 | 0.9° | 0.1° |
| C6 | N | C1 | C | 177.5° | 124.0° |
| C6 | N | C1 | C2 | 169.1° | 170.0° |
| C6 | N | C | H7 | 180.0° | 66.4° |
| C6 | N | C | H8 | 60.0° | 173.7° |
| C6 | N | C | H9 | 60.0° | 53.7° |
| C6 | N | C1 | H10 | 69.8° | 70.1° |
| C6 | N | C1 | H11 | 48.0° | 49.9° |
| N | C1 | C2 | H10 | 121.1° | 120.0° |
| N | C1 | C2 | H11 | 121.1° | 120.0° |
| N | C1 | C2 | C3 | 172.4° | 174.9° |
| N | C1 | C2 | C5 | 71.8° | 73.4° |
| C1 | N | C | H7 | 2.7° | 57.6° |
| C1 | N | C | H8 | 122.7° | 62.3° |
| C1 | N | C | H9 | 117.4° | 177.7° |
| N | C1 | H10 | H11 | 116.6° | 120.1° |
| N | C1 | C2 | H12 | 50.9° | 50.8° |
| C | N | C1 | C2 | 13.3° | 66.0° |
| N | C | H7 | H8 | 120.0° | 119.9° |
| N | C | H7 | H9 | 120.0° | 120.0° |
| N | C | H8 | H9 | 120.0° | 120.0° |
| C | N | C1 | H10 | 107.7° | 53.9° |
| C | N | C1 | H11 | 134.4° | 173.9° |
| C1 | C2 | C3 | C5 | 121.2° | 118.0° |
| C1 | C2 | C3 | H12 | 121.4° | 124.1° |
| C1 | C2 | C5 | H12 | 122.6° | 124.2° |
| C1 | C2 | C3 | C4 | 119.8° | 152.0° |
| C1 | C2 | C5 | O | 137.9° | 154.3° |
| C1 | C2 | C5 | H3 | 18.4° | 86.7° |
| C1 | C2 | C5 | H4 | 102.6° | 35.5° |
| C2 | C1 | H10 | H11 | 116.6° | 120.0° |
| C1 | C2 | C3 | H13 | 121.1° | 33.9° |
| C1 | C2 | C3 | H14 | 0.6° | 89.7° |
| C3 | C2 | C5 | H12 | 117.4° | 117.9° |
| C2 | C3 | C4 | H13 | 119.2° | 118.1° |
| C2 | C3 | C4 | H14 | 119.2° | 118.2° |
| C3 | C2 | C5 | O | 17.9° | 36.4° |
| C2 | C3 | C4 | O | 20.5° | 21.3° |
| C2 | C3 | C4 | H1 | 140.0° | 140.9° |
| C2 | C3 | C4 | H2 | 99.1° | 98.3° |
| C3 | C2 | C5 | H3 | 101.6° | 155.3° |
| C3 | C2 | C5 | H4 | 137.4° | 82.5° |
| C3 | C2 | C1 | H10 | 51.3° | 55.0° |
| C3 | C2 | C1 | H11 | 66.6° | 65.0° |
| C2 | C3 | H13 | H14 | 122.5° | 123.6° |
| C5 | C2 | C3 | C4 | 1.5° | 34.1° |
| C2 | C5 | O | H3 | 119.5° | 118.9° |
| C2 | C5 | O | H4 | 119.5° | 118.9° |
| C2 | C5 | O | C4 | 32.5° | 24.4° |
| C2 | C5 | H3 | H4 | 121.5° | 122.2° |
| C5 | C2 | C1 | H10 | 167.1° | 166.6° |
| C5 | C2 | C1 | H11 | 49.3° | 46.6° |
| C5 | C2 | C3 | H13 | 117.7° | 84.1° |
| C5 | C2 | C3 | H14 | 120.6° | 152.3° |
| C3 | C4 | O | C5 | 33.7° | 1.7° |
| C3 | C4 | O | H1 | 119.6° | 119.6° |
| C3 | C4 | O | H2 | 119.6° | 119.6° |
| C3 | C4 | H1 | H2 | 121.3° | 120.9° |
| C4 | C3 | C2 | H12 | 118.8° | 83.8° |
| C4 | C3 | H13 | H14 | 122.5° | 123.6° |
| C5 | O | C4 | H1 | 153.2° | 117.9° |
| C5 | O | C4 | H2 | 85.9° | 121.3° |
| O | C5 | H3 | H4 | 121.5° | 122.1° |
| O | C5 | C2 | H12 | 99.5° | 81.5° |
| O | C4 | H1 | H2 | 121.3° | 120.9° |
| C4 | O | C5 | H3 | 87.0° | 143.3° |
| C4 | O | C5 | H4 | 152.0° | 94.5° |
| O | C4 | C3 | H13 | 98.7° | 96.9° |
| O | C4 | C3 | H14 | 139.7° | 139.5° |
| H1 | C4 | C3 | H13 | 20.9° | 22.7° |
| H1 | C4 | C3 | H14 | 100.8° | 100.9° |
| H2 | C4 | C3 | H13 | 141.8° | 143.6° |
| H2 | C4 | C3 | H14 | 20.1° | 20.0° |
| H3 | C5 | C2 | H12 | 141.0° | 37.5° |
| H4 | C5 | C2 | H12 | 20.0° | 159.6° |
| H7 | C | H8 | H9 | 120.0° | 120.1° |
| H10 | C1 | C2 | H12 | 70.2° | 69.2° |
| H11 | C1 | C2 | H12 | 171.9° | 170.8° |
| H12 | C2 | C3 | H13 | 0.3° | 158.0° |
| H12 | C2 | C3 | H14 | 122.0° | 34.4° |
