VQB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C | doub | 1.32Å | 1.31Å | Aromatic |
| N1 | C3 | sing | 1.33Å | 1.30Å | Aromatic |
| C | N | sing | 1.32Å | 1.35Å | Aromatic |
| C3 | CL | sing | 1.74Å | 1.66Å | |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| N | C1 | doub | 1.33Å | 1.29Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | N2 | sing | 1.40Å | 1.35Å | |
| C1 | N3 | sing | 1.39Å | 1.40Å | |
| C7 | N3 | sing | 1.47Å | 1.45Å | |
| C7 | C6 | sing | 1.54Å | 1.53Å | |
| C4 | C5 | sing | 1.55Å | 1.51Å | |
| C4 | N3 | sing | 1.48Å | 1.49Å | |
| C5 | C6 | sing | 1.55Å | 1.54Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N1 | C3 | 114.5° | 121.0° |
| N1 | C | N | 125.1° | 122.0° |
| N1 | C | H11 | 117.4° | 119.0° |
| N1 | C3 | CL | 118.0° | 120.4° |
| N1 | C3 | C2 | 127.6° | 119.1° |
| C | N | C1 | 118.7° | 120.8° |
| N | C | H11 | 117.4° | 119.0° |
| CL | C3 | C2 | 114.3° | 120.4° |
| C3 | C2 | C1 | 112.3° | 118.2° |
| C3 | C2 | N2 | 119.6° | 120.9° |
| N | C1 | C2 | 121.7° | 118.9° |
| N | C1 | N3 | 118.6° | 120.6° |
| C1 | C2 | N2 | 128.2° | 120.9° |
| C2 | C1 | N3 | 119.4° | 120.6° |
| C2 | N2 | H3 | 109.5° | 120.0° |
| C2 | N2 | H4 | 109.5° | 120.0° |
| C1 | N3 | C7 | 115.6° | 111.0° |
| C1 | N3 | C4 | 113.3° | 111.0° |
| N3 | C7 | C6 | 99.2° | 107.2° |
| C7 | N3 | C4 | 108.1° | 108.6° |
| N3 | C7 | H1 | 112.0° | 109.9° |
| N3 | C7 | H2 | 112.0° | 109.9° |
| C7 | C6 | C5 | 105.4° | 103.0° |
| C6 | C7 | H1 | 112.0° | 109.9° |
| C6 | C7 | H2 | 112.0° | 109.9° |
| C7 | C6 | H7 | 110.5° | 110.7° |
| C7 | C6 | H8 | 110.5° | 110.7° |
| C5 | C4 | N3 | 104.3° | 104.8° |
| C4 | C5 | C6 | 104.7° | 101.6° |
| C4 | C5 | H5 | 110.6° | 111.0° |
| C4 | C5 | H6 | 110.6° | 111.0° |
| C5 | C4 | H9 | 110.8° | 110.4° |
| C5 | C4 | H10 | 110.8° | 110.4° |
| N3 | C4 | H9 | 110.7° | 110.4° |
| N3 | C4 | H10 | 110.7° | 110.4° |
| C6 | C5 | H5 | 110.7° | 111.0° |
| C6 | C5 | H6 | 110.6° | 111.0° |
| C5 | C6 | H7 | 110.5° | 110.6° |
| C5 | C6 | H8 | 110.5° | 110.7° |
| H1 | C7 | H2 | 109.5° | 110.1° |
| H3 | N2 | H4 | 109.5° | 120.0° |
| H5 | C5 | H6 | 109.5° | 110.9° |
| H7 | C6 | H8 | 109.5° | 110.8° |
| H9 | C4 | H10 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C | N | H11 | 180.0° | 179.9° |
| C | N1 | C3 | CL | 179.2° | 179.9° |
| C | N1 | C3 | C2 | 0.3° | 0.0° |
| N1 | C | N | C1 | 1.0° | 0.1° |
| C3 | N1 | C | N | 1.0° | 0.1° |
| N1 | C3 | CL | C2 | 179.6° | 180.0° |
| N1 | C3 | C2 | C1 | 1.4° | 0.0° |
| N1 | C3 | C2 | N2 | 180.0° | 180.0° |
| C3 | N1 | C | H11 | 179.0° | 180.0° |
| C | N | C1 | C2 | 0.3° | 0.1° |
| C | N | C1 | N3 | 173.6° | 180.0° |
| CL | C3 | C2 | C1 | 178.2° | 180.0° |
| CL | C3 | C2 | N2 | 0.4° | 0.1° |
| C3 | C2 | C1 | N | 1.4° | 0.0° |
| C3 | C2 | C1 | N2 | 178.4° | 180.0° |
| C3 | C2 | C1 | N3 | 172.5° | 180.0° |
| C3 | C2 | N2 | H3 | 180.0° | 0.0° |
| C3 | C2 | N2 | H4 | 60.0° | 179.9° |
| N | C1 | C2 | N3 | 173.8° | 180.0° |
| N | C1 | C2 | N2 | 179.7° | 180.0° |
| N | C1 | N3 | C7 | 140.3° | 0.1° |
| N | C1 | N3 | C4 | 14.7° | 120.8° |
| C1 | N | C | H11 | 179.0° | 180.0° |
| C2 | C1 | N3 | C7 | 45.7° | 180.0° |
| C2 | C1 | N3 | C4 | 171.3° | 59.2° |
| C1 | C2 | N2 | H3 | 1.7° | 179.9° |
| C1 | C2 | N2 | H4 | 121.7° | 0.0° |
| N2 | C2 | C1 | N3 | 5.9° | 0.0° |
| C2 | N2 | H3 | H4 | 120.0° | 179.9° |
| C1 | N3 | C7 | C4 | 128.2° | 122.3° |
| C1 | N3 | C7 | C6 | 171.2° | 123.3° |
| C1 | N3 | C4 | C5 | 161.2° | 146.4° |
| C1 | N3 | C7 | H1 | 52.9° | 117.4° |
| C1 | N3 | C7 | H2 | 70.5° | 3.9° |
| C1 | N3 | C4 | H9 | 42.0° | 27.5° |
| C1 | N3 | C4 | H10 | 79.6° | 94.8° |
| N3 | C7 | C6 | H1 | 118.3° | 119.4° |
| N3 | C7 | C6 | H2 | 118.3° | 119.4° |
| C7 | N3 | C4 | C5 | 31.8° | 24.1° |
| N3 | C7 | C6 | C5 | 37.7° | 22.2° |
| N3 | C7 | H1 | H2 | 124.8° | 121.2° |
| N3 | C7 | C6 | H7 | 157.1° | 96.0° |
| N3 | C7 | C6 | H8 | 81.6° | 140.6° |
| C7 | N3 | C4 | H9 | 87.4° | 94.7° |
| C7 | N3 | C4 | H10 | 150.9° | 142.9° |
| C7 | C6 | C5 | C4 | 19.8° | 35.6° |
| C6 | C7 | N3 | C4 | 43.0° | 1.0° |
| C7 | C6 | C5 | H7 | 119.3° | 118.3° |
| C7 | C6 | C5 | H8 | 119.3° | 118.4° |
| C6 | C7 | H1 | H2 | 124.8° | 121.1° |
| C7 | C6 | C5 | H5 | 139.0° | 153.7° |
| C7 | C6 | C5 | H6 | 99.5° | 82.5° |
| C7 | C6 | H7 | H8 | 121.9° | 123.3° |
| C5 | C4 | N3 | H9 | 119.2° | 118.8° |
| C5 | C4 | N3 | H10 | 119.2° | 118.8° |
| C4 | C5 | C6 | H5 | 119.3° | 118.1° |
| C4 | C5 | C6 | H6 | 119.2° | 118.1° |
| C4 | C5 | H5 | H6 | 122.2° | 123.9° |
| C4 | C5 | C6 | H7 | 139.1° | 82.7° |
| C4 | C5 | C6 | H8 | 99.5° | 154.0° |
| C5 | C4 | H9 | H10 | 122.4° | 122.3° |
| N3 | C4 | C5 | C6 | 5.9° | 37.0° |
| C4 | N3 | C7 | H1 | 75.3° | 120.4° |
| C4 | N3 | C7 | H2 | 161.3° | 118.4° |
| N3 | C4 | C5 | H5 | 113.3° | 155.1° |
| N3 | C4 | C5 | H6 | 125.1° | 81.1° |
| N3 | C4 | H9 | H10 | 122.4° | 122.4° |
| C5 | C6 | C7 | H1 | 80.6° | 97.1° |
| C5 | C6 | C7 | H2 | 156.0° | 141.6° |
| C6 | C5 | H5 | H6 | 122.2° | 123.9° |
| C5 | C6 | H7 | H8 | 121.9° | 123.2° |
| C6 | C5 | C4 | H9 | 113.2° | 81.8° |
| C6 | C5 | C4 | H10 | 125.1° | 155.9° |
| H1 | C7 | C6 | H7 | 38.8° | 144.6° |
| H1 | C7 | C6 | H8 | 160.1° | 21.3° |
| H2 | C7 | C6 | H7 | 84.6° | 23.4° |
| H2 | C7 | C6 | H8 | 36.7° | 100.0° |
| H5 | C5 | C6 | H7 | 101.6° | 35.4° |
| H5 | C5 | C6 | H8 | 19.7° | 87.9° |
| H5 | C5 | C4 | H9 | 127.5° | 36.3° |
| H5 | C5 | C4 | H10 | 5.8° | 86.0° |
| H6 | C5 | C6 | H7 | 19.9° | 159.2° |
| H6 | C5 | C6 | H8 | 141.2° | 35.9° |
| H6 | C5 | C4 | H9 | 6.0° | 160.1° |
| H6 | C5 | C4 | H10 | 115.7° | 37.8° |
