VQ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C7 | doub | 1.21Å | 1.25Å | |
| O1 | C7 | sing | 1.34Å | 1.21Å | |
| C7 | C6 | sing | 1.51Å | 1.68Å | |
| F1 | C2 | sing | 1.35Å | 1.30Å | |
| C2 | C1 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.33Å | Aromatic |
| C6 | C3 | sing | 1.51Å | 1.46Å | |
| C6 | N | sing | 1.47Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| N | C8 | sing | 1.47Å | 1.46Å | |
| C | C5 | doub | 1.38Å | 1.35Å | Aromatic |
| C8 | C10 | sing | 1.53Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C4 | C5 | sing | 1.39Å | 1.34Å | Aromatic |
| C4 | F | sing | 1.35Å | 1.27Å | |
| C10 | C9 | sing | 1.53Å | 1.48Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.08Å | 1.08Å | |
| N | H9 | sing | 1.01Å | 1.00Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C7 | O1 | 130.5° | 120.0° |
| O | C7 | C6 | 109.4° | 120.0° |
| O1 | C7 | C6 | 120.2° | 120.0° |
| C7 | O1 | H4 | 109.5° | 117.0° |
| C7 | C6 | C3 | 112.2° | 109.5° |
| C7 | C6 | N | 106.8° | 109.5° |
| C7 | C6 | H7 | 107.7° | 109.5° |
| F1 | C2 | C1 | 115.7° | 120.0° |
| F1 | C2 | C3 | 121.8° | 120.0° |
| C1 | C2 | C3 | 122.5° | 120.0° |
| C2 | C1 | C | 118.9° | 120.0° |
| C2 | C1 | H5 | 120.5° | 120.0° |
| C2 | C3 | C6 | 123.3° | 120.0° |
| C2 | C3 | C4 | 115.0° | 119.9° |
| C1 | C | C5 | 121.1° | 120.1° |
| C | C1 | H5 | 120.5° | 119.9° |
| C1 | C | H8 | 119.5° | 120.0° |
| C3 | C6 | N | 109.8° | 109.5° |
| C6 | C3 | C4 | 121.7° | 120.1° |
| C3 | C6 | H7 | 110.5° | 109.4° |
| C6 | N | C8 | 111.7° | 111.0° |
| N | C6 | H7 | 109.7° | 109.5° |
| C6 | N | H9 | 108.9° | 111.1° |
| C3 | C4 | C5 | 122.4° | 120.0° |
| C3 | C4 | F | 121.0° | 120.0° |
| N | C8 | C10 | 117.6° | 117.5° |
| N | C8 | C9 | 120.2° | 117.5° |
| N | C8 | H1 | 116.2° | 115.5° |
| C8 | N | H9 | 108.9° | 111.0° |
| C | C5 | C4 | 120.1° | 120.0° |
| C | C5 | H6 | 120.0° | 120.0° |
| C5 | C | H8 | 119.5° | 119.9° |
| C10 | C8 | C9 | 59.5° | 60.0° |
| C8 | C10 | C9 | 60.7° | 60.0° |
| C10 | C8 | H1 | 115.8° | 117.5° |
| C8 | C10 | H11 | 119.9° | 117.5° |
| C8 | C10 | H12 | 119.9° | 117.5° |
| C8 | C9 | C10 | 59.8° | 60.0° |
| C9 | C8 | H1 | 115.6° | 117.5° |
| C8 | C9 | H2 | 120.0° | 117.5° |
| C8 | C9 | H3 | 120.0° | 117.5° |
| C5 | C4 | F | 116.5° | 119.9° |
| C4 | C5 | H6 | 120.0° | 120.0° |
| C10 | C9 | H2 | 120.0° | 117.6° |
| C10 | C9 | H3 | 120.0° | 117.5° |
| C9 | C10 | H11 | 119.9° | 117.6° |
| C9 | C10 | H12 | 119.9° | 117.4° |
| H2 | C9 | H3 | 109.5° | 115.5° |
| H11 | C10 | H12 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C7 | O1 | C6 | 179.6° | 179.7° |
| O | C7 | C6 | C3 | 53.6° | 119.8° |
| O | C7 | C6 | N | 174.0° | 0.3° |
| O | C7 | O1 | H4 | 0.0° | 0.3° |
| O | C7 | C6 | H7 | 68.3° | 120.3° |
| O1 | C7 | C6 | C3 | 126.8° | 60.0° |
| O1 | C7 | C6 | N | 6.4° | 180.0° |
| O1 | C7 | C6 | H7 | 111.4° | 60.0° |
| C7 | C6 | C3 | C2 | 46.7° | 75.8° |
| C7 | C6 | C3 | N | 118.6° | 120.1° |
| C7 | C6 | C3 | H7 | 120.3° | 120.0° |
| C7 | C6 | N | H7 | 116.5° | 120.0° |
| C7 | C6 | C3 | C4 | 131.7° | 105.0° |
| C7 | C6 | N | C8 | 88.5° | 84.9° |
| C6 | C7 | O1 | H4 | 179.6° | 180.0° |
| C7 | C6 | N | H9 | 151.2° | 151.0° |
| F1 | C2 | C1 | C3 | 176.8° | 180.0° |
| F1 | C2 | C1 | C | 175.7° | 180.0° |
| F1 | C2 | C3 | C6 | 7.2° | 0.2° |
| F1 | C2 | C3 | C4 | 174.2° | 179.4° |
| F1 | C2 | C1 | H5 | 4.3° | 0.3° |
| C2 | C1 | C | H5 | 180.0° | 179.8° |
| C1 | C2 | C3 | C6 | 176.2° | 179.8° |
| C1 | C2 | C3 | C4 | 2.4° | 0.5° |
| C2 | C1 | C | C5 | 0.7° | 0.3° |
| C2 | C1 | C | H8 | 179.3° | 179.8° |
| C3 | C2 | C1 | C | 1.1° | 0.0° |
| C2 | C3 | C6 | C4 | 178.5° | 179.3° |
| C2 | C3 | C6 | N | 71.9° | 44.3° |
| C2 | C3 | C4 | C5 | 2.2° | 0.8° |
| C2 | C3 | C4 | F | 174.7° | 179.8° |
| C3 | C2 | C1 | H5 | 178.9° | 179.8° |
| C2 | C3 | C6 | H7 | 167.0° | 164.2° |
| C1 | C | C5 | H8 | 180.0° | 180.0° |
| C1 | C | C5 | C4 | 1.0° | 0.0° |
| C1 | C | C5 | H6 | 179.0° | 180.0° |
| C3 | C6 | N | H7 | 121.6° | 120.0° |
| C3 | C6 | N | C8 | 149.6° | 155.0° |
| C6 | C3 | C4 | C5 | 176.5° | 179.9° |
| C6 | C3 | C4 | F | 6.7° | 0.5° |
| C3 | C6 | N | H9 | 29.3° | 31.0° |
| N | C6 | C3 | C4 | 109.6° | 135.0° |
| C6 | N | C8 | H9 | 120.3° | 124.0° |
| C6 | N | C8 | C10 | 72.7° | 155.0° |
| C6 | N | C8 | C9 | 141.7° | 136.4° |
| C6 | N | C8 | H1 | 70.8° | 9.4° |
| C3 | C4 | C5 | C | 0.6° | 0.5° |
| C3 | C4 | C5 | F | 177.0° | 179.4° |
| C3 | C4 | C5 | H6 | 179.4° | 179.5° |
| C4 | C3 | C6 | H7 | 11.5° | 15.0° |
| N | C8 | C10 | C9 | 110.5° | 107.5° |
| N | C8 | C10 | H1 | 143.7° | 144.9° |
| N | C8 | C9 | H1 | 147.7° | 145.1° |
| N | C8 | C9 | H2 | 3.2° | 0.1° |
| N | C8 | C9 | H3 | 144.4° | 145.0° |
| C8 | N | C6 | H7 | 28.0° | 35.0° |
| N | C8 | C10 | H11 | 139.8° | 144.9° |
| N | C8 | C10 | H12 | 0.8° | 0.1° |
| C | C5 | C4 | H6 | 180.0° | 179.9° |
| C | C5 | C4 | F | 176.5° | 179.9° |
| C5 | C | C1 | H5 | 179.3° | 180.0° |
| C10 | C8 | C9 | H1 | 106.1° | 107.4° |
| C8 | C10 | C9 | H11 | 109.7° | 107.5° |
| C8 | C10 | C9 | H12 | 109.6° | 107.5° |
| C10 | C8 | C9 | H2 | 109.4° | 107.6° |
| C10 | C8 | C9 | H3 | 109.4° | 107.5° |
| C10 | C8 | N | H9 | 47.6° | 31.0° |
| C8 | C10 | H11 | H12 | 144.4° | 145.7° |
| C8 | C9 | H2 | H3 | 144.8° | 145.6° |
| C9 | C8 | N | H9 | 21.4° | 99.6° |
| C4 | C5 | C | H8 | 179.0° | 179.9° |
| F | C4 | C5 | H6 | 3.6° | 0.1° |
| C10 | C9 | H2 | H3 | 144.8° | 145.7° |
| C9 | C10 | H11 | H12 | 144.4° | 145.7° |
| H1 | C8 | C9 | H2 | 144.4° | 145.0° |
| H1 | C8 | C9 | H3 | 3.3° | 0.1° |
| H1 | C8 | N | H9 | 168.9° | 114.7° |
| H1 | C8 | C10 | H11 | 3.9° | 0.0° |
| H1 | C8 | C10 | H12 | 144.6° | 145.0° |
| H2 | C9 | C10 | H11 | 140.9° | 145.0° |
| H2 | C9 | C10 | H12 | 0.2° | 0.0° |
| H3 | C9 | C10 | H11 | 0.2° | 0.0° |
| H3 | C9 | C10 | H12 | 140.9° | 145.0° |
| H5 | C1 | C | H8 | 0.7° | 0.0° |
| H6 | C5 | C | H8 | 1.0° | 0.0° |
| H7 | C6 | N | H9 | 92.3° | 89.0° |
