U43
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C7 | sing | 1.40Å | 1.33Å | |
| F | C7 | sing | 1.40Å | 1.33Å | |
| C7 | C4 | sing | 1.51Å | 1.50Å | |
| C7 | F2 | sing | 1.40Å | 1.33Å | |
| N1 | C6 | sing | 1.40Å | 1.37Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.40Å | 1.37Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C | N | sing | 1.46Å | 1.44Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C7 | F | 106.2° | 109.5° |
| F1 | C7 | C4 | 112.6° | 109.5° |
| F1 | C7 | F2 | 106.2° | 109.5° |
| F | C7 | C4 | 112.6° | 109.4° |
| F | C7 | F2 | 106.1° | 109.5° |
| C4 | C7 | F2 | 112.7° | 109.4° |
| C7 | C4 | C5 | 120.0° | 119.9° |
| C7 | C4 | C3 | 120.5° | 120.0° |
| N1 | C6 | C5 | 120.3° | 120.2° |
| N1 | C6 | C1 | 120.7° | 120.0° |
| C6 | N1 | H8 | 109.5° | 120.0° |
| C6 | N1 | H9 | 109.5° | 120.0° |
| C6 | C5 | C4 | 120.6° | 120.0° |
| C5 | C6 | C1 | 119.1° | 119.8° |
| C6 | C5 | H2 | 119.7° | 119.9° |
| C5 | C4 | C3 | 119.4° | 120.2° |
| C4 | C5 | H2 | 119.7° | 120.0° |
| C6 | C1 | N | 118.7° | 120.1° |
| C6 | C1 | C2 | 120.2° | 119.8° |
| C4 | C3 | C2 | 120.9° | 120.2° |
| C4 | C3 | H7 | 119.5° | 119.9° |
| N | C1 | C2 | 121.1° | 120.1° |
| C1 | N | C | 122.9° | 120.0° |
| C1 | N | H3 | 106.0° | 120.0° |
| C1 | C2 | C3 | 119.8° | 120.0° |
| C1 | C2 | H1 | 120.1° | 120.0° |
| C3 | C2 | H1 | 120.1° | 120.0° |
| C2 | C3 | H7 | 119.6° | 119.9° |
| C | N | H3 | 106.0° | 120.1° |
| N | C | H4 | 109.5° | 109.5° |
| N | C | H5 | 109.5° | 109.5° |
| N | C | H6 | 109.5° | 109.5° |
| H4 | C | H5 | 109.5° | 109.4° |
| H4 | C | H6 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.5° |
| H8 | N1 | H9 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C7 | F | C4 | 123.6° | 120.1° |
| F1 | C7 | F | F2 | 112.7° | 120.0° |
| F1 | C7 | C4 | F2 | 120.1° | 120.0° |
| F1 | C7 | C4 | C5 | 73.9° | 60.0° |
| F1 | C7 | C4 | C3 | 106.0° | 119.9° |
| F | C7 | C4 | F2 | 120.0° | 119.9° |
| F | C7 | C4 | C5 | 46.0° | 60.1° |
| F | C7 | C4 | C3 | 134.0° | 120.0° |
| C7 | C4 | C5 | C6 | 179.9° | 179.7° |
| C7 | C4 | C5 | C3 | 180.0° | 179.9° |
| C7 | C4 | C3 | C2 | 180.0° | 180.0° |
| C7 | C4 | C5 | H2 | 0.1° | 0.0° |
| C7 | C4 | C3 | H7 | 0.0° | 0.1° |
| F2 | C7 | C4 | C5 | 166.0° | 180.0° |
| F2 | C7 | C4 | C3 | 14.0° | 0.1° |
| N1 | C6 | C5 | C1 | 179.8° | 179.8° |
| N1 | C6 | C5 | C4 | 179.7° | 180.0° |
| N1 | C6 | C1 | N | 0.0° | 0.2° |
| N1 | C6 | C1 | C2 | 179.8° | 179.8° |
| N1 | C6 | C5 | H2 | 0.3° | 0.3° |
| C6 | N1 | H8 | H9 | 120.0° | 180.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.1° | 0.2° |
| C5 | C6 | C1 | N | 179.8° | 180.0° |
| C5 | C6 | C1 | C2 | 0.0° | 0.0° |
| C5 | C6 | N1 | H8 | 180.0° | 0.1° |
| C5 | C6 | N1 | H9 | 60.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.2° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C5 | C4 | C3 | H7 | 180.0° | 180.0° |
| C6 | C1 | N | C2 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.2° |
| C6 | C1 | N | C | 107.3° | 180.0° |
| C6 | C1 | C2 | H1 | 179.8° | 180.0° |
| C1 | C6 | C5 | H2 | 179.9° | 180.0° |
| C6 | C1 | N | H3 | 14.5° | 0.0° |
| C1 | C6 | N1 | H8 | 0.2° | 179.8° |
| C1 | C6 | N1 | H9 | 119.8° | 0.2° |
| C4 | C3 | C2 | C1 | 0.2° | 0.2° |
| C4 | C3 | C2 | H7 | 180.0° | 180.0° |
| C4 | C3 | C2 | H1 | 179.8° | 180.0° |
| C3 | C4 | C5 | H2 | 179.9° | 179.9° |
| N | C1 | C2 | C3 | 179.7° | 179.8° |
| C1 | N | C | H3 | 121.9° | 179.9° |
| N | C1 | C2 | H1 | 0.3° | 0.0° |
| C1 | N | C | H4 | 180.0° | 180.0° |
| C1 | N | C | H5 | 60.0° | 60.0° |
| C1 | N | C | H6 | 60.0° | 60.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.8° |
| C2 | C1 | N | C | 72.5° | 0.0° |
| C2 | C1 | N | H3 | 165.6° | 179.9° |
| C1 | C2 | C3 | H7 | 179.9° | 179.8° |
| N | C | H4 | H5 | 120.0° | 119.9° |
| N | C | H4 | H6 | 120.0° | 120.1° |
| N | C | H5 | H6 | 120.0° | 120.0° |
| H1 | C2 | C3 | H7 | 0.1° | 0.0° |
| H3 | N | C | H4 | 58.2° | 0.1° |
| H3 | N | C | H5 | 178.2° | 120.0° |
| H3 | N | C | H6 | 61.9° | 120.0° |
| H4 | C | H5 | H6 | 120.0° | 120.0° |
