QNR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.39Å | 1.34Å | |
| C7 | C8 | doub | 1.37Å | 1.36Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C | C6 | sing | 1.46Å | 1.45Å | Aromatic |
| C | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.42Å | 1.43Å | Aromatic |
| N1 | C1 | sing | 1.34Å | 1.34Å | Aromatic |
| C9 | C10 | doub | 1.37Å | 1.36Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | C2 | sing | 1.46Å | 1.44Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | N2 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.46Å | 1.43Å | Aromatic |
| N2 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.34Å | 1.36Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C6 | 121.0° | 119.8° |
| N | C | N1 | 117.1° | 119.7° |
| C | N | H3 | 109.5° | 119.9° |
| C | N | H4 | 109.5° | 120.0° |
| C8 | C7 | C6 | 121.1° | 119.5° |
| C7 | C8 | C9 | 120.6° | 120.9° |
| C8 | C7 | H5 | 119.5° | 120.2° |
| C7 | C8 | H6 | 119.7° | 119.5° |
| C7 | C6 | C | 123.3° | 122.3° |
| C7 | C6 | C5 | 118.3° | 119.4° |
| C6 | C7 | H5 | 119.5° | 120.3° |
| C6 | C | N1 | 121.9° | 120.6° |
| C | C6 | C5 | 118.4° | 118.3° |
| C | N1 | C1 | 119.0° | 123.4° |
| C8 | C9 | C10 | 120.6° | 120.9° |
| C9 | C8 | H6 | 119.7° | 119.6° |
| C8 | C9 | H7 | 119.7° | 119.5° |
| C6 | C5 | C10 | 118.3° | 119.7° |
| C6 | C5 | C2 | 118.4° | 117.6° |
| N1 | C1 | C2 | 125.6° | 121.0° |
| N1 | C1 | N2 | 126.2° | 132.0° |
| C9 | C10 | C5 | 121.1° | 119.5° |
| C10 | C9 | H7 | 119.7° | 119.5° |
| C9 | C10 | H8 | 119.5° | 120.3° |
| C10 | C5 | C2 | 123.3° | 122.8° |
| C5 | C10 | H8 | 119.4° | 120.2° |
| C5 | C2 | C1 | 116.6° | 119.1° |
| C5 | C2 | C3 | 136.5° | 134.3° |
| C2 | C1 | N2 | 108.2° | 107.0° |
| C1 | C2 | C3 | 106.9° | 106.5° |
| C1 | N2 | C4 | 108.1° | 110.0° |
| C1 | N2 | H9 | 125.9° | 125.0° |
| C2 | C3 | C4 | 106.4° | 106.9° |
| C2 | C3 | H1 | 126.8° | 126.6° |
| N2 | C4 | C3 | 110.4° | 109.6° |
| N2 | C4 | H2 | 124.8° | 125.1° |
| C4 | N2 | H9 | 125.9° | 125.0° |
| C4 | C3 | H1 | 126.8° | 126.5° |
| C3 | C4 | H2 | 124.8° | 125.3° |
| H3 | N | H4 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C6 | C7 | 0.4° | 0.1° |
| N | C | C6 | N1 | 179.6° | 179.7° |
| N | C | C6 | C5 | 179.7° | 180.0° |
| N | C | N1 | C1 | 179.2° | 179.7° |
| C | N | H3 | H4 | 120.0° | 179.9° |
| C8 | C7 | C6 | H5 | 180.0° | 179.9° |
| C8 | C7 | C6 | C | 179.3° | 180.0° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C7 | C8 | C9 | H7 | 179.8° | 179.9° |
| C7 | C6 | C | C5 | 179.4° | 179.9° |
| C7 | C6 | C | N1 | 179.2° | 179.8° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C7 | C6 | C5 | C10 | 0.2° | 0.1° |
| C7 | C6 | C5 | C2 | 179.1° | 180.0° |
| C6 | C7 | C8 | H6 | 179.7° | 180.0° |
| C6 | C | N1 | C1 | 0.4° | 0.6° |
| C | C6 | C5 | C10 | 179.6° | 180.0° |
| C | C6 | C5 | C2 | 0.3° | 0.0° |
| C6 | C | N | H3 | 179.6° | 0.0° |
| C6 | C | N | H4 | 59.6° | 180.0° |
| C | C6 | C7 | H5 | 0.7° | 0.2° |
| N1 | C | C6 | C5 | 0.2° | 0.3° |
| C | N1 | C1 | C2 | 0.9° | 0.6° |
| C | N1 | C1 | N2 | 178.2° | 179.8° |
| N1 | C | N | H3 | 0.0° | 179.7° |
| N1 | C | N | H4 | 120.0° | 0.3° |
| C8 | C9 | C10 | H7 | 180.0° | 179.9° |
| C8 | C9 | C10 | C5 | 0.2° | 0.0° |
| C9 | C8 | C7 | H5 | 179.7° | 179.9° |
| C8 | C9 | C10 | H8 | 179.8° | 180.0° |
| C6 | C5 | C10 | C9 | 0.3° | 0.1° |
| C6 | C5 | C10 | C2 | 179.3° | 180.0° |
| C6 | C5 | C2 | C1 | 0.2° | 0.0° |
| C6 | C5 | C2 | C3 | 178.1° | 180.0° |
| C5 | C6 | C7 | H5 | 179.9° | 179.9° |
| C6 | C5 | C10 | H8 | 179.6° | 180.0° |
| N1 | C1 | C2 | C5 | 0.8° | 0.3° |
| N1 | C1 | C2 | N2 | 179.2° | 179.7° |
| N1 | C1 | C2 | C3 | 179.3° | 179.7° |
| N1 | C1 | N2 | C4 | 179.3° | 179.7° |
| N1 | C1 | N2 | H9 | 0.7° | 0.3° |
| C9 | C10 | C5 | H8 | 180.0° | 179.9° |
| C9 | C10 | C5 | C2 | 179.0° | 180.0° |
| C10 | C9 | C8 | H6 | 179.8° | 180.0° |
| C10 | C5 | C2 | C1 | 179.1° | 180.0° |
| C10 | C5 | C2 | C3 | 1.2° | 0.0° |
| C5 | C10 | C9 | H7 | 179.8° | 180.0° |
| C5 | C2 | C1 | C3 | 178.5° | 180.0° |
| C5 | C2 | C1 | N2 | 178.4° | 180.0° |
| C5 | C2 | C3 | C4 | 178.0° | 180.0° |
| C5 | C2 | C3 | H1 | 2.0° | 0.1° |
| C2 | C5 | C10 | H8 | 1.1° | 0.1° |
| C2 | C1 | N2 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C2 | C1 | N2 | H9 | 180.0° | 180.0° |
| N2 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | N2 | C4 | H9 | 180.0° | 180.0° |
| C1 | N2 | C4 | C3 | 0.0° | 0.0° |
| C1 | N2 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | N2 | 0.0° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| N2 | C4 | C3 | H2 | 180.0° | 180.0° |
| N2 | C4 | C3 | H1 | 180.0° | 180.0° |
| C3 | C4 | N2 | H9 | 180.0° | 180.0° |
| H1 | C3 | C4 | H2 | 0.0° | 0.0° |
| H2 | C4 | N2 | H9 | 0.0° | 0.0° |
| H5 | C7 | C8 | H6 | 0.3° | 0.1° |
| H6 | C8 | C9 | H7 | 0.2° | 0.0° |
| H7 | C9 | C10 | H8 | 0.2° | 0.1° |
