QNN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.54Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | C8 | sing | 1.54Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| O1 | C3 | doub | 1.21Å | 1.22Å | |
| C3 | C2 | sing | 1.52Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | N1 | sing | 1.47Å | 1.49Å | |
| C2 | N1 | sing | 1.48Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.48Å | |
| C7 | N1 | sing | 1.47Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 107.6° | 106.7° |
| C5 | C4 | C8 | 107.2° | 107.4° |
| C4 | C5 | C6 | 109.3° | 109.1° |
| C5 | C4 | H11 | 111.6° | 111.7° |
| C4 | C5 | H12 | 109.5° | 109.6° |
| C4 | C5 | H13 | 109.5° | 109.5° |
| C3 | C4 | C8 | 107.6° | 107.0° |
| C4 | C3 | O1 | 124.4° | 122.8° |
| C4 | C3 | C2 | 109.0° | 114.3° |
| C3 | C4 | H11 | 111.1° | 111.7° |
| C4 | C8 | C7 | 110.6° | 109.2° |
| C4 | C8 | H9 | 109.2° | 109.5° |
| C4 | C8 | H10 | 109.2° | 109.6° |
| C8 | C4 | H11 | 111.6° | 112.1° |
| C5 | C6 | N1 | 111.8° | 110.6° |
| C5 | C6 | H4 | 108.9° | 109.2° |
| C5 | C6 | H5 | 108.9° | 109.2° |
| C6 | C5 | H12 | 109.5° | 109.5° |
| C6 | C5 | H13 | 109.5° | 109.6° |
| O1 | C3 | C2 | 126.6° | 122.9° |
| C3 | C2 | N1 | 112.2° | 105.8° |
| C3 | C2 | C1 | 112.6° | 110.2° |
| C3 | C2 | H6 | 105.8° | 110.3° |
| C8 | C7 | N1 | 112.4° | 110.5° |
| C8 | C7 | H7 | 108.7° | 109.3° |
| C8 | C7 | H8 | 108.7° | 109.2° |
| C7 | C8 | H9 | 109.2° | 109.5° |
| C7 | C8 | H10 | 109.2° | 109.5° |
| C6 | N1 | C2 | 109.8° | 110.8° |
| C6 | N1 | C7 | 102.7° | 111.1° |
| N1 | C6 | H4 | 108.9° | 109.2° |
| N1 | C6 | H5 | 108.9° | 109.3° |
| N1 | C2 | C1 | 112.7° | 110.1° |
| C2 | N1 | C7 | 109.4° | 110.8° |
| N1 | C2 | H6 | 106.4° | 110.2° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H6 | 106.6° | 110.2° |
| N1 | C7 | H7 | 108.8° | 109.3° |
| N1 | C7 | H8 | 108.8° | 109.2° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C6 | H5 | 109.5° | 109.3° |
| H7 | C7 | H8 | 109.5° | 109.3° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H12 | C5 | H13 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | C8 | 115.2° | 114.7° |
| C5 | C4 | C3 | H11 | 122.4° | 122.3° |
| C5 | C4 | C8 | H11 | 122.4° | 123.1° |
| C4 | C5 | C6 | H12 | 119.9° | 119.9° |
| C4 | C5 | C6 | H13 | 120.0° | 119.9° |
| C5 | C4 | C3 | O1 | 129.2° | 122.7° |
| C5 | C4 | C3 | C2 | 51.1° | 57.2° |
| C5 | C4 | C8 | C7 | 62.1° | 60.0° |
| C4 | C5 | C6 | N1 | 17.0° | 0.6° |
| C4 | C5 | C6 | H4 | 137.3° | 119.6° |
| C4 | C5 | C6 | H5 | 103.4° | 120.9° |
| C5 | C4 | C8 | H9 | 58.0° | 179.9° |
| C5 | C4 | C8 | H10 | 177.7° | 59.9° |
| C4 | C5 | H12 | H13 | 120.1° | 120.2° |
| C3 | C4 | C8 | H11 | 122.1° | 122.7° |
| C3 | C4 | C5 | C6 | 67.4° | 55.5° |
| C4 | C3 | O1 | C2 | 179.6° | 179.9° |
| C3 | C4 | C8 | C7 | 53.3° | 54.2° |
| C4 | C3 | C2 | N1 | 11.8° | 0.5° |
| C4 | C3 | C2 | C1 | 140.2° | 119.5° |
| C4 | C3 | C2 | H6 | 103.8° | 118.6° |
| C3 | C4 | C8 | H9 | 173.5° | 65.7° |
| C3 | C4 | C8 | H10 | 66.8° | 174.1° |
| C3 | C4 | C5 | H12 | 52.5° | 175.3° |
| C3 | C4 | C5 | H13 | 172.6° | 64.5° |
| C8 | C4 | C5 | C6 | 48.0° | 59.0° |
| C8 | C4 | C3 | O1 | 115.6° | 122.6° |
| C8 | C4 | C3 | C2 | 64.1° | 57.5° |
| C4 | C8 | C7 | H9 | 120.2° | 119.9° |
| C4 | C8 | C7 | H10 | 120.2° | 120.0° |
| C4 | C8 | C7 | N1 | 8.0° | 2.4° |
| C4 | C8 | C7 | H7 | 128.4° | 122.7° |
| C4 | C8 | C7 | H8 | 112.5° | 117.8° |
| C4 | C8 | H9 | H10 | 119.5° | 120.2° |
| C8 | C4 | C5 | H12 | 168.0° | 60.9° |
| C8 | C4 | C5 | H13 | 71.9° | 178.9° |
| C5 | C6 | N1 | H4 | 120.3° | 120.2° |
| C5 | C6 | N1 | H5 | 120.4° | 120.3° |
| C5 | C6 | N1 | C2 | 46.4° | 63.6° |
| C5 | C6 | N1 | C7 | 69.9° | 59.9° |
| C5 | C6 | H4 | H5 | 119.0° | 119.4° |
| C6 | C5 | C4 | H11 | 170.4° | 177.7° |
| C6 | C5 | H12 | H13 | 120.1° | 120.2° |
| O1 | C3 | C2 | N1 | 167.9° | 179.6° |
| O1 | C3 | C2 | C1 | 39.5° | 60.6° |
| O1 | C3 | C2 | H6 | 76.6° | 61.3° |
| O1 | C3 | C4 | H11 | 6.8° | 0.4° |
| C3 | C2 | N1 | C6 | 62.8° | 62.1° |
| C3 | C2 | N1 | C1 | 128.3° | 119.0° |
| C3 | C2 | N1 | H6 | 115.3° | 119.2° |
| C3 | C2 | C1 | H6 | 115.6° | 122.0° |
| C3 | C2 | N1 | C7 | 49.2° | 61.6° |
| C3 | C2 | C1 | H1 | 180.0° | 56.3° |
| C3 | C2 | C1 | H2 | 60.0° | 63.7° |
| C3 | C2 | C1 | H3 | 60.0° | 176.4° |
| C2 | C3 | C4 | H11 | 173.5° | 179.5° |
| C8 | C7 | N1 | C6 | 55.4° | 58.8° |
| C8 | C7 | N1 | C2 | 61.2° | 64.8° |
| C8 | C7 | N1 | H7 | 120.4° | 120.3° |
| C8 | C7 | N1 | H8 | 120.4° | 120.2° |
| C8 | C7 | H7 | H8 | 118.6° | 119.5° |
| C7 | C8 | H9 | H10 | 119.5° | 120.1° |
| C7 | C8 | C4 | H11 | 175.4° | 176.9° |
| C6 | N1 | C2 | C7 | 112.0° | 123.7° |
| C6 | N1 | C2 | C1 | 168.9° | 178.8° |
| N1 | C6 | H4 | H5 | 118.9° | 119.5° |
| C6 | N1 | C2 | H6 | 52.4° | 57.1° |
| C6 | N1 | C7 | H7 | 65.0° | 61.5° |
| C6 | N1 | C7 | H8 | 175.9° | 179.0° |
| N1 | C6 | C5 | H12 | 103.0° | 119.3° |
| N1 | C6 | C5 | H13 | 137.0° | 120.5° |
| N1 | C2 | C1 | H6 | 116.3° | 121.8° |
| N1 | C2 | C1 | H1 | 51.9° | 60.0° |
| N1 | C2 | C1 | H2 | 68.1° | 180.0° |
| N1 | C2 | C1 | H3 | 171.9° | 60.1° |
| C2 | N1 | C6 | H4 | 74.0° | 56.5° |
| C2 | N1 | C6 | H5 | 166.7° | 176.1° |
| C2 | N1 | C7 | H7 | 178.4° | 175.0° |
| C2 | N1 | C7 | H8 | 59.3° | 55.4° |
| C1 | C2 | N1 | C7 | 79.1° | 57.5° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C7 | N1 | C6 | H4 | 169.7° | 179.9° |
| C7 | N1 | C6 | H5 | 50.4° | 60.4° |
| C7 | N1 | C2 | H6 | 164.5° | 179.2° |
| N1 | C7 | H7 | H8 | 118.7° | 119.5° |
| N1 | C7 | C8 | H9 | 112.2° | 122.3° |
| N1 | C7 | C8 | H10 | 128.1° | 117.5° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H6 | 64.4° | 178.3° |
| H2 | C1 | C2 | H6 | 175.6° | 58.3° |
| H3 | C1 | C2 | H6 | 55.6° | 61.7° |
| H4 | C6 | C5 | H12 | 17.4° | 120.5° |
| H4 | C6 | C5 | H13 | 102.7° | 0.3° |
| H5 | C6 | C5 | H12 | 136.7° | 1.0° |
| H5 | C6 | C5 | H13 | 16.6° | 119.1° |
| H7 | C7 | C8 | H9 | 8.2° | 117.4° |
| H7 | C7 | C8 | H10 | 111.4° | 2.7° |
| H8 | C7 | C8 | H9 | 127.3° | 2.1° |
| H8 | C7 | C8 | H10 | 7.7° | 122.3° |
| H9 | C8 | C4 | H11 | 64.4° | 57.0° |
| H10 | C8 | C4 | H11 | 55.3° | 63.2° |
| H11 | C4 | C5 | H12 | 69.6° | 62.4° |
| H11 | C4 | C5 | H13 | 50.5° | 57.8° |
