WJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.48Å | |
| C1 | N | sing | 1.46Å | 1.48Å | |
| N | C2 | sing | 1.35Å | 1.42Å | |
| O | C2 | doub | 1.22Å | 1.23Å | |
| C2 | C3 | sing | 1.48Å | 1.51Å | |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| F | C6 | sing | 1.35Å | 1.32Å | |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | BR | sing | 1.89Å | 1.91Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 116.0° | 120.0° |
| C | N | C2 | 119.2° | 120.0° |
| N | C | H2 | 109.5° | 109.5° |
| N | C | H | 109.5° | 109.5° |
| N | C | H1 | 109.5° | 109.5° |
| C1 | N | C2 | 124.7° | 120.0° |
| N | C1 | H4 | 109.5° | 109.5° |
| N | C1 | H5 | 109.5° | 109.5° |
| N | C1 | H3 | 109.4° | 109.5° |
| N | C2 | O | 119.0° | 120.0° |
| N | C2 | C3 | 120.2° | 120.0° |
| O | C2 | C3 | 120.7° | 120.0° |
| C2 | C3 | C4 | 119.5° | 120.1° |
| C2 | C3 | C8 | 123.2° | 120.2° |
| C3 | C4 | C5 | 120.6° | 119.9° |
| C4 | C3 | C8 | 117.4° | 119.7° |
| C3 | C4 | H6 | 119.7° | 120.1° |
| C4 | C5 | C6 | 118.8° | 120.2° |
| C5 | C4 | H6 | 119.7° | 120.0° |
| C4 | C5 | H7 | 120.6° | 120.0° |
| C5 | C6 | F | 120.8° | 119.9° |
| C5 | C6 | C7 | 121.3° | 120.2° |
| C6 | C5 | H7 | 120.6° | 119.9° |
| F | C6 | C7 | 117.9° | 119.9° |
| C6 | C7 | C8 | 117.3° | 120.1° |
| C6 | C7 | H8 | 121.4° | 119.9° |
| C7 | C8 | C3 | 124.6° | 119.9° |
| C7 | C8 | BR | 115.4° | 120.1° |
| C8 | C7 | H8 | 121.4° | 120.0° |
| C3 | C8 | BR | 119.8° | 120.1° |
| H2 | C | H | 109.4° | 109.5° |
| H2 | C | H1 | 109.5° | 109.5° |
| H | C | H1 | 109.5° | 109.4° |
| H4 | C1 | H5 | 109.4° | 109.5° |
| H4 | C1 | H3 | 109.5° | 109.4° |
| H5 | C1 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | C2 | 176.2° | 179.9° |
| C | N | C2 | O | 6.1° | 5.7° |
| C | N | C2 | C3 | 172.9° | 174.2° |
| N | C | H2 | H | 120.0° | 120.0° |
| N | C | H2 | H1 | 120.0° | 120.0° |
| N | C | H | H1 | 120.0° | 120.0° |
| C | N | C1 | H4 | 180.0° | 125.5° |
| C | N | C1 | H5 | 60.0° | 5.5° |
| C | N | C1 | H3 | 60.0° | 114.5° |
| C1 | N | C2 | O | 170.0° | 174.3° |
| C1 | N | C2 | C3 | 11.0° | 5.8° |
| C1 | N | C | H2 | 180.0° | 90.0° |
| C1 | N | C | H | 60.0° | 30.0° |
| C1 | N | C | H1 | 60.0° | 150.0° |
| N | C1 | H4 | H5 | 120.0° | 120.1° |
| N | C1 | H4 | H3 | 120.0° | 120.0° |
| N | C1 | H5 | H3 | 120.0° | 120.0° |
| N | C2 | O | C3 | 179.0° | 179.9° |
| N | C2 | C3 | C4 | 106.5° | 52.9° |
| N | C2 | C3 | C8 | 73.2° | 126.7° |
| C2 | N | C | H2 | 3.6° | 89.9° |
| C2 | N | C | H | 116.4° | 150.0° |
| C2 | N | C | H1 | 123.6° | 30.1° |
| C2 | N | C1 | H4 | 3.8° | 54.6° |
| C2 | N | C1 | H5 | 123.8° | 174.6° |
| C2 | N | C1 | H3 | 116.2° | 65.4° |
| O | C2 | C3 | C4 | 72.5° | 127.2° |
| O | C2 | C3 | C8 | 107.8° | 53.3° |
| C2 | C3 | C4 | C8 | 179.7° | 179.5° |
| C2 | C3 | C4 | C5 | 179.4° | 180.0° |
| C2 | C3 | C8 | C7 | 179.2° | 180.0° |
| C2 | C3 | C8 | BR | 4.9° | 0.2° |
| C2 | C3 | C4 | H6 | 0.6° | 0.3° |
| C3 | C4 | C5 | H6 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.5° | 0.3° |
| C4 | C3 | C8 | C7 | 1.1° | 0.5° |
| C4 | C3 | C8 | BR | 174.8° | 179.7° |
| C3 | C4 | C5 | H7 | 179.5° | 179.7° |
| C4 | C5 | C6 | H7 | 180.0° | 180.0° |
| C4 | C5 | C6 | F | 177.2° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| C5 | C4 | C3 | C8 | 0.3° | 0.5° |
| C5 | C6 | F | C7 | 177.8° | 180.0° |
| C5 | C6 | C7 | C8 | 1.7° | 0.0° |
| C6 | C5 | C4 | H6 | 179.4° | 180.0° |
| C5 | C6 | C7 | H8 | 178.2° | 180.0° |
| F | C6 | C7 | C8 | 176.0° | 180.0° |
| F | C6 | C5 | H7 | 2.8° | 0.0° |
| F | C6 | C7 | H8 | 4.0° | 0.0° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 2.1° | 0.3° |
| C6 | C7 | C8 | BR | 174.0° | 179.9° |
| C7 | C6 | C5 | H7 | 179.5° | 179.9° |
| C7 | C8 | C3 | BR | 175.9° | 179.8° |
| C8 | C3 | C4 | H6 | 179.7° | 179.8° |
| C3 | C8 | C7 | H8 | 177.9° | 179.8° |
| BR | C8 | C7 | H8 | 6.1° | 0.0° |
| H6 | C4 | C5 | H7 | 0.6° | 0.0° |
| H2 | C | H | H1 | 120.0° | 120.0° |
| H4 | C1 | H5 | H3 | 120.0° | 119.9° |
