QN8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.54Å | 1.57Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C4 | C8 | sing | 1.54Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| O1 | C3 | doub | 1.21Å | 1.21Å | |
| C3 | C2 | sing | 1.52Å | 1.53Å | |
| C6 | N1 | sing | 1.47Å | 1.45Å | |
| C7 | N1 | sing | 1.47Å | 1.55Å | |
| N1 | C2 | sing | 1.48Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 108.9° | 109.2° |
| C5 | C4 | C8 | 104.9° | 107.7° |
| C5 | C4 | C3 | 107.1° | 106.7° |
| C5 | C4 | H5 | 111.7° | 112.1° |
| C4 | C5 | H6 | 109.6° | 109.5° |
| C4 | C5 | H7 | 109.6° | 109.5° |
| C5 | C6 | N1 | 112.9° | 110.6° |
| C6 | C5 | H6 | 109.6° | 109.5° |
| C6 | C5 | H7 | 109.6° | 109.6° |
| C5 | C6 | H8 | 108.6° | 109.3° |
| C5 | C6 | H9 | 108.6° | 109.3° |
| C8 | C4 | C3 | 108.5° | 106.8° |
| C4 | C8 | C7 | 111.2° | 109.2° |
| C8 | C4 | H5 | 112.1° | 111.7° |
| C4 | C8 | H12 | 109.0° | 109.5° |
| C4 | C8 | H13 | 109.1° | 109.5° |
| C4 | C3 | O1 | 122.8° | 123.0° |
| C4 | C3 | C2 | 107.1° | 114.2° |
| C3 | C4 | H5 | 112.2° | 111.7° |
| C8 | C7 | N1 | 110.0° | 110.6° |
| C8 | C7 | H10 | 109.3° | 109.1° |
| C8 | C7 | H11 | 109.3° | 109.2° |
| C7 | C8 | H12 | 109.0° | 109.6° |
| C7 | C8 | H13 | 109.0° | 109.5° |
| O1 | C3 | C2 | 130.1° | 122.9° |
| C3 | C2 | N1 | 115.5° | 105.9° |
| C3 | C2 | C1 | 111.3° | 110.2° |
| C3 | C2 | H4 | 106.4° | 110.2° |
| C6 | N1 | C7 | 102.8° | 110.8° |
| C6 | N1 | C2 | 112.2° | 110.6° |
| N1 | C6 | H8 | 108.6° | 109.2° |
| N1 | C6 | H9 | 108.6° | 109.2° |
| C7 | N1 | C2 | 105.5° | 110.9° |
| N1 | C7 | H10 | 109.4° | 109.3° |
| N1 | C7 | H11 | 109.4° | 109.3° |
| N1 | C2 | C1 | 109.4° | 110.2° |
| N1 | C2 | H4 | 107.2° | 110.1° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 106.5° | 110.1° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.6° |
| H8 | C6 | H9 | 109.5° | 109.2° |
| H10 | C7 | H11 | 109.4° | 109.2° |
| H12 | C8 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H6 | 119.9° | 119.9° |
| C4 | C5 | C6 | H7 | 119.9° | 119.9° |
| C5 | C4 | C8 | C3 | 114.2° | 114.3° |
| C5 | C4 | C8 | H5 | 121.4° | 123.4° |
| C5 | C4 | C3 | H5 | 122.9° | 122.8° |
| C5 | C4 | C8 | C7 | 48.2° | 59.1° |
| C5 | C4 | C3 | O1 | 111.3° | 122.5° |
| C5 | C4 | C3 | C2 | 67.6° | 57.5° |
| C4 | C5 | C6 | N1 | 9.9° | 1.2° |
| C4 | C5 | H6 | H7 | 120.3° | 120.1° |
| C4 | C5 | C6 | H8 | 110.6° | 119.1° |
| C4 | C5 | C6 | H9 | 130.4° | 121.4° |
| C5 | C4 | C8 | H12 | 72.0° | 60.8° |
| C5 | C4 | C8 | H13 | 168.5° | 179.0° |
| C6 | C5 | C4 | C8 | 63.9° | 59.1° |
| C6 | C5 | C4 | C3 | 51.2° | 55.2° |
| C5 | C6 | N1 | H8 | 120.5° | 120.4° |
| C5 | C6 | N1 | H9 | 120.5° | 120.3° |
| C5 | C6 | N1 | C7 | 55.0° | 59.5° |
| C5 | C6 | N1 | C2 | 57.9° | 63.9° |
| C6 | C5 | C4 | H5 | 174.4° | 177.7° |
| C6 | C5 | H6 | H7 | 120.3° | 120.2° |
| C5 | C6 | H8 | H9 | 118.5° | 119.5° |
| C8 | C4 | C3 | H5 | 124.4° | 122.3° |
| C4 | C8 | C7 | H12 | 120.2° | 119.9° |
| C4 | C8 | C7 | H13 | 120.3° | 119.9° |
| C8 | C4 | C3 | O1 | 136.0° | 122.5° |
| C8 | C4 | C3 | C2 | 45.1° | 57.4° |
| C4 | C8 | C7 | N1 | 16.8° | 1.1° |
| C8 | C4 | C5 | H6 | 176.2° | 179.0° |
| C8 | C4 | C5 | H7 | 56.0° | 60.8° |
| C4 | C8 | C7 | H10 | 103.3° | 121.3° |
| C4 | C8 | C7 | H11 | 136.9° | 119.3° |
| C4 | C8 | H12 | H13 | 119.2° | 120.1° |
| C3 | C4 | C8 | C7 | 66.0° | 55.2° |
| C4 | C3 | O1 | C2 | 178.7° | 180.0° |
| C4 | C3 | C2 | N1 | 21.4° | 0.1° |
| C4 | C3 | C2 | C1 | 147.0° | 119.1° |
| C4 | C3 | C2 | H4 | 97.3° | 119.1° |
| C3 | C4 | C5 | H6 | 68.7° | 64.7° |
| C3 | C4 | C5 | H7 | 171.1° | 175.2° |
| C3 | C4 | C8 | H12 | 173.8° | 175.1° |
| C3 | C4 | C8 | H13 | 54.3° | 64.7° |
| C8 | C7 | N1 | C6 | 71.6° | 59.6° |
| C8 | C7 | N1 | H10 | 120.1° | 120.2° |
| C8 | C7 | N1 | H11 | 120.1° | 120.3° |
| C8 | C7 | N1 | C2 | 46.2° | 63.7° |
| C7 | C8 | C4 | H5 | 169.6° | 177.5° |
| C8 | C7 | H10 | H11 | 119.8° | 119.4° |
| C7 | C8 | H12 | H13 | 119.2° | 120.2° |
| O1 | C3 | C2 | N1 | 157.4° | 179.9° |
| O1 | C3 | C2 | C1 | 31.8° | 60.9° |
| O1 | C3 | C2 | H4 | 83.8° | 60.8° |
| O1 | C3 | C4 | H5 | 11.6° | 0.2° |
| C3 | C2 | N1 | C6 | 41.3° | 61.7° |
| C3 | C2 | N1 | C7 | 70.0° | 61.6° |
| C3 | C2 | N1 | C1 | 126.5° | 119.2° |
| C3 | C2 | N1 | H4 | 118.3° | 119.1° |
| C3 | C2 | C1 | H4 | 115.6° | 121.8° |
| C3 | C2 | C1 | H1 | 180.0° | 58.2° |
| C3 | C2 | C1 | H2 | 60.0° | 178.2° |
| C3 | C2 | C1 | H3 | 60.0° | 61.7° |
| C2 | C3 | C4 | H5 | 169.5° | 179.7° |
| C6 | N1 | C7 | C2 | 117.8° | 123.2° |
| C6 | N1 | C2 | C1 | 85.2° | 57.4° |
| C6 | N1 | C2 | H4 | 159.6° | 179.1° |
| N1 | C6 | C5 | H6 | 129.8° | 121.1° |
| N1 | C6 | C5 | H7 | 110.0° | 118.8° |
| N1 | C6 | H8 | H9 | 118.4° | 119.3° |
| C6 | N1 | C7 | H10 | 48.5° | 60.6° |
| C6 | N1 | C7 | H11 | 168.3° | 179.9° |
| C7 | N1 | C2 | C1 | 163.5° | 179.2° |
| C7 | N1 | C2 | H4 | 48.4° | 57.5° |
| C7 | N1 | C6 | H8 | 175.5° | 179.9° |
| C7 | N1 | C6 | H9 | 65.5° | 60.7° |
| N1 | C7 | H10 | H11 | 119.8° | 119.5° |
| N1 | C7 | C8 | H12 | 137.1° | 118.8° |
| N1 | C7 | C8 | H13 | 103.5° | 121.0° |
| N1 | C2 | C1 | H4 | 115.6° | 121.7° |
| N1 | C2 | C1 | H1 | 51.1° | 58.3° |
| N1 | C2 | C1 | H2 | 171.2° | 61.7° |
| N1 | C2 | C1 | H3 | 68.9° | 178.3° |
| C2 | N1 | C6 | H8 | 62.6° | 56.5° |
| C2 | N1 | C6 | H9 | 178.4° | 175.9° |
| C2 | N1 | C7 | H10 | 166.2° | 176.1° |
| C2 | N1 | C7 | H11 | 73.9° | 56.6° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 64.4° | 180.0° |
| H2 | C1 | C2 | H4 | 55.6° | 60.0° |
| H3 | C1 | C2 | H4 | 175.5° | 60.1° |
| H5 | C4 | C5 | H6 | 54.5° | 57.8° |
| H5 | C4 | C5 | H7 | 65.7° | 62.3° |
| H5 | C4 | C8 | H12 | 49.3° | 62.6° |
| H5 | C4 | C8 | H13 | 70.1° | 57.6° |
| H6 | C5 | C6 | H8 | 9.3° | 0.7° |
| H6 | C5 | C6 | H9 | 109.7° | 118.7° |
| H7 | C5 | C6 | H8 | 129.5° | 120.9° |
| H7 | C5 | C6 | H9 | 10.5° | 1.5° |
| H10 | C7 | C8 | H12 | 17.0° | 1.4° |
| H10 | C7 | C8 | H13 | 136.5° | 118.7° |
| H11 | C7 | C8 | H12 | 102.8° | 120.8° |
| H11 | C7 | C8 | H13 | 16.6° | 0.6° |
