VJ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N | doub | 1.22Å | 1.18Å | |
| N | O3 | doub | 1.22Å | 1.16Å | |
| N | C7 | sing | 1.48Å | 1.47Å | |
| C8 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.35Å | Aromatic |
| O1 | C2 | doub | 1.22Å | 1.21Å | |
| C6 | F | sing | 1.35Å | 1.29Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.48Å | 1.48Å | |
| C3 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C2 | O | sing | 1.35Å | 1.36Å | |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| O | C1 | sing | 1.45Å | 1.42Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N | O3 | 125.3° | 120.0° |
| O2 | N | C7 | 114.7° | 120.0° |
| O3 | N | C7 | 119.9° | 120.0° |
| N | C7 | C8 | 117.9° | 119.9° |
| N | C7 | C6 | 123.0° | 119.9° |
| C7 | C8 | C3 | 119.7° | 119.8° |
| C8 | C7 | C6 | 118.9° | 120.2° |
| C7 | C8 | H1 | 120.2° | 120.1° |
| C8 | C3 | C2 | 121.3° | 120.1° |
| C8 | C3 | C4 | 121.2° | 119.8° |
| C3 | C8 | H1 | 120.1° | 120.1° |
| C7 | C6 | F | 118.8° | 119.9° |
| C7 | C6 | C5 | 120.7° | 120.2° |
| O1 | C2 | C3 | 124.4° | 120.0° |
| O1 | C2 | O | 116.3° | 120.0° |
| F | C6 | C5 | 120.5° | 119.9° |
| C6 | C5 | C4 | 121.1° | 120.1° |
| C6 | C5 | H4 | 119.4° | 120.0° |
| C2 | C3 | C4 | 117.5° | 120.1° |
| C3 | C2 | O | 119.3° | 120.0° |
| C3 | C4 | C5 | 118.4° | 119.9° |
| C3 | C4 | H5 | 120.8° | 120.1° |
| C2 | O | C1 | 121.2° | 117.0° |
| C4 | C5 | H4 | 119.5° | 119.9° |
| C5 | C4 | H5 | 120.8° | 120.1° |
| O | C1 | C | 104.7° | 109.5° |
| O | C1 | H2 | 110.6° | 109.5° |
| O | C1 | H3 | 110.6° | 109.5° |
| C | C1 | H2 | 110.6° | 109.5° |
| C | C1 | H3 | 110.7° | 109.5° |
| C1 | C | H6 | 109.5° | 109.5° |
| C1 | C | H7 | 109.4° | 109.4° |
| C1 | C | H8 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H6 | C | H7 | 109.5° | 109.5° |
| H6 | C | H8 | 109.4° | 109.4° |
| H7 | C | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N | O3 | C7 | 175.0° | 180.0° |
| O2 | N | C7 | C8 | 11.8° | 179.7° |
| O2 | N | C7 | C6 | 173.8° | 0.0° |
| O3 | N | C7 | C8 | 163.7° | 0.2° |
| O3 | N | C7 | C6 | 10.8° | 180.0° |
| N | C7 | C8 | C6 | 174.7° | 179.8° |
| N | C7 | C8 | C3 | 174.2° | 179.7° |
| N | C7 | C6 | F | 4.2° | 0.2° |
| N | C7 | C6 | C5 | 175.3° | 179.7° |
| N | C7 | C8 | H1 | 5.8° | 0.2° |
| C7 | C8 | C3 | H1 | 180.0° | 180.0° |
| C8 | C7 | C6 | F | 178.6° | 180.0° |
| C8 | C7 | C6 | C5 | 0.9° | 0.0° |
| C7 | C8 | C3 | C2 | 176.1° | 180.0° |
| C7 | C8 | C3 | C4 | 1.4° | 0.0° |
| C3 | C8 | C7 | C6 | 0.5° | 0.0° |
| C8 | C3 | C2 | O1 | 4.9° | 0.0° |
| C8 | C3 | C2 | C4 | 177.6° | 180.0° |
| C8 | C3 | C2 | O | 176.4° | 180.0° |
| C8 | C3 | C4 | C5 | 0.8° | 0.0° |
| C8 | C3 | C4 | H5 | 179.2° | 180.0° |
| C7 | C6 | F | C5 | 179.5° | 180.0° |
| C7 | C6 | C5 | C4 | 1.5° | 0.0° |
| C6 | C7 | C8 | H1 | 179.5° | 180.0° |
| C7 | C6 | C5 | H4 | 178.5° | 180.0° |
| O1 | C2 | C3 | O | 178.7° | 180.0° |
| O1 | C2 | C3 | C4 | 172.7° | 180.0° |
| O1 | C2 | O | C1 | 1.0° | 0.0° |
| F | C6 | C5 | C4 | 178.0° | 180.0° |
| F | C6 | C5 | H4 | 2.1° | 0.0° |
| C6 | C5 | C4 | C3 | 0.6° | 0.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | H5 | 179.4° | 180.0° |
| C2 | C3 | C4 | C5 | 176.8° | 180.0° |
| C3 | C2 | O | C1 | 179.8° | 180.0° |
| C2 | C3 | C8 | H1 | 3.9° | 0.0° |
| C2 | C3 | C4 | H5 | 3.2° | 0.0° |
| C4 | C3 | C2 | O | 6.0° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C4 | C3 | C8 | H1 | 178.6° | 180.0° |
| C3 | C4 | C5 | H4 | 179.4° | 180.0° |
| C2 | O | C1 | C | 143.1° | 180.0° |
| C2 | O | C1 | H2 | 23.9° | 60.0° |
| C2 | O | C1 | H3 | 97.7° | 60.0° |
| O | C1 | C | H2 | 119.2° | 120.0° |
| O | C1 | C | H3 | 119.2° | 120.0° |
| O | C1 | H2 | H3 | 122.2° | 120.0° |
| O | C1 | C | H6 | 180.0° | 180.0° |
| O | C1 | C | H7 | 60.0° | 60.0° |
| O | C1 | C | H8 | 60.0° | 60.0° |
| C | C1 | H2 | H3 | 122.2° | 120.0° |
| C1 | C | H6 | H7 | 120.0° | 119.9° |
| C1 | C | H6 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| H2 | C1 | C | H6 | 60.8° | 60.0° |
| H2 | C1 | C | H7 | 179.2° | 180.0° |
| H2 | C1 | C | H8 | 59.2° | 60.0° |
| H3 | C1 | C | H6 | 60.8° | 60.0° |
| H3 | C1 | C | H7 | 59.3° | 60.0° |
| H3 | C1 | C | H8 | 179.2° | 180.0° |
| H4 | C5 | C4 | H5 | 0.6° | 0.0° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
