QGN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| N4 | C4 | doub | 1.31Å | 1.33Å | Aromatic |
| N3 | C3 | sing | 1.37Å | 1.34Å | Aromatic |
| N5 | C4 | sing | 1.40Å | 1.35Å | |
| C4 | C5 | sing | 1.46Å | 1.42Å | Aromatic |
| C3 | C5 | doub | 1.41Å | 1.42Å | Aromatic |
| C3 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| N2 | N1 | doub | 1.28Å | 1.29Å | Aromatic |
| C6 | C2 | doub | 1.37Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| N1 | C2 | sing | 1.32Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.47Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| N5 | H8 | sing | 0.97Å | 1.00Å | |
| N5 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | N4 | C4 | 106.4° | 110.0° |
| N4 | N3 | C3 | 111.4° | 109.3° |
| N4 | N3 | H1 | 124.3° | 125.3° |
| N4 | C4 | N5 | 119.6° | 126.2° |
| N4 | C4 | C5 | 110.6° | 107.5° |
| N3 | C3 | C5 | 107.3° | 106.6° |
| N3 | C3 | N2 | 128.9° | 134.4° |
| C3 | N3 | H1 | 124.3° | 125.4° |
| N5 | C4 | C5 | 129.8° | 126.3° |
| C4 | N5 | H8 | 109.5° | 120.0° |
| C4 | N5 | H9 | 109.5° | 120.0° |
| C4 | C5 | C3 | 103.9° | 106.5° |
| C4 | C5 | C6 | 138.3° | 135.2° |
| C5 | C3 | N2 | 123.7° | 119.0° |
| C3 | C5 | C6 | 117.8° | 118.3° |
| C3 | N2 | N1 | 117.8° | 121.6° |
| C5 | C6 | C2 | 116.1° | 117.6° |
| C5 | C6 | C7 | 123.9° | 121.2° |
| N2 | N1 | C2 | 123.8° | 123.1° |
| C2 | C6 | C7 | 120.0° | 121.2° |
| C6 | C2 | N1 | 120.4° | 120.4° |
| C6 | C2 | C1 | 124.9° | 119.8° |
| C6 | C7 | H2 | 109.5° | 109.4° |
| C6 | C7 | H3 | 109.4° | 109.4° |
| C6 | C7 | H4 | 109.4° | 109.5° |
| N1 | C2 | C1 | 114.3° | 119.8° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.4° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H2 | C7 | H4 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.4° | 109.4° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | N5 | H9 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | N3 | C3 | H1 | 180.0° | 180.0° |
| N3 | N4 | C4 | N5 | 174.4° | 180.0° |
| N3 | N4 | C4 | C5 | 5.1° | 0.0° |
| N4 | N3 | C3 | C5 | 5.4° | 0.0° |
| N4 | N3 | C3 | N2 | 177.9° | 180.0° |
| C4 | N4 | N3 | C3 | 6.6° | 0.0° |
| N4 | C4 | N5 | C5 | 179.5° | 180.0° |
| N4 | C4 | C5 | C3 | 1.9° | 0.0° |
| N4 | C4 | C5 | C6 | 175.3° | 180.0° |
| C4 | N4 | N3 | H1 | 173.3° | 180.0° |
| N4 | C4 | N5 | H8 | 0.0° | 180.0° |
| N4 | C4 | N5 | H9 | 120.0° | 0.0° |
| N3 | C3 | C5 | C4 | 2.1° | 0.0° |
| N3 | C3 | C5 | N2 | 176.8° | 180.0° |
| N3 | C3 | C5 | C6 | 180.0° | 180.0° |
| N3 | C3 | N2 | N1 | 176.5° | 180.0° |
| N5 | C4 | C5 | C3 | 177.6° | 180.0° |
| N5 | C4 | C5 | C6 | 5.2° | 0.0° |
| C4 | N5 | H8 | H9 | 120.0° | 180.0° |
| C4 | C5 | C3 | C6 | 177.9° | 180.0° |
| C4 | C5 | C3 | N2 | 178.9° | 180.0° |
| C4 | C5 | C6 | C2 | 176.6° | 180.0° |
| C4 | C5 | C6 | C7 | 1.8° | 0.0° |
| C5 | C4 | N5 | H8 | 179.5° | 0.0° |
| C5 | C4 | N5 | H9 | 59.4° | 180.0° |
| C5 | C3 | N2 | N1 | 7.4° | 0.0° |
| C3 | C5 | C6 | C2 | 0.3° | 0.0° |
| C3 | C5 | C6 | C7 | 178.8° | 180.0° |
| C5 | C3 | N3 | H1 | 174.5° | 180.0° |
| N2 | C3 | C5 | C6 | 3.1° | 0.0° |
| C3 | N2 | N1 | C2 | 8.3° | 0.0° |
| N2 | C3 | N3 | H1 | 2.1° | 0.0° |
| C5 | C6 | C2 | C7 | 178.5° | 180.0° |
| C5 | C6 | C2 | N1 | 0.5° | 0.0° |
| C5 | C6 | C2 | C1 | 172.3° | 180.0° |
| C5 | C6 | C7 | H2 | 90.8° | 90.0° |
| C5 | C6 | C7 | H3 | 149.2° | 150.0° |
| C5 | C6 | C7 | H4 | 29.2° | 30.0° |
| N2 | N1 | C2 | C6 | 5.0° | 0.0° |
| N2 | N1 | C2 | C1 | 177.7° | 180.0° |
| C6 | C2 | N1 | C1 | 172.7° | 180.0° |
| C2 | C6 | C7 | H2 | 90.7° | 90.0° |
| C2 | C6 | C7 | H3 | 29.3° | 30.0° |
| C2 | C6 | C7 | H4 | 149.3° | 150.0° |
| C6 | C2 | C1 | H5 | 172.3° | 90.0° |
| C6 | C2 | C1 | H6 | 52.3° | 30.0° |
| C6 | C2 | C1 | H7 | 67.7° | 150.0° |
| C7 | C6 | C2 | N1 | 178.1° | 180.0° |
| C7 | C6 | C2 | C1 | 6.2° | 0.0° |
| C6 | C7 | H2 | H3 | 120.0° | 119.9° |
| C6 | C7 | H2 | H4 | 120.0° | 120.0° |
| C6 | C7 | H3 | H4 | 120.0° | 120.0° |
| N1 | C2 | C1 | H5 | 0.0° | 90.0° |
| N1 | C2 | C1 | H6 | 120.0° | 150.0° |
| N1 | C2 | C1 | H7 | 120.0° | 30.0° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.1° |
| H2 | C7 | H3 | H4 | 120.0° | 120.1° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
