TC7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C4 | CL1 | sing | 1.76Å | 1.76Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | CL3 | sing | 1.78Å | 1.78Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | CL5 | sing | 1.77Å | 1.77Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | O1 | sing | 1.35Å | 1.35Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 122.6° | 122.6° |
| C5 | C4 | CL1 | 113.2° | 113.2° |
| C4 | C5 | C6 | 116.0° | 116.0° |
| C4 | C5 | H5 | 122.0° | 122.0° |
| C3 | C4 | CL1 | 124.1° | 124.1° |
| C4 | C3 | C2 | 119.5° | 119.5° |
| C4 | C3 | O1 | 122.8° | 122.8° |
| C5 | C6 | C1 | 122.6° | 122.6° |
| C5 | C6 | CL3 | 115.2° | 115.2° |
| C6 | C5 | H5 | 122.0° | 122.0° |
| C1 | C6 | CL3 | 122.2° | 122.2° |
| C6 | C1 | C2 | 120.9° | 120.9° |
| C6 | C1 | CL5 | 120.4° | 120.4° |
| C2 | C1 | CL5 | 118.7° | 118.7° |
| C1 | C2 | C3 | 118.4° | 118.4° |
| C1 | C2 | H2 | 120.8° | 120.8° |
| C2 | C3 | O1 | 117.7° | 117.7° |
| C3 | C2 | H2 | 120.8° | 120.8° |
| C3 | O1 | H1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | CL1 | 177.6° | 177.6° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.6° | 0.6° |
| C4 | C5 | C6 | CL3 | 178.9° | 178.9° |
| C5 | C4 | C3 | C2 | 0.9° | 0.9° |
| C5 | C4 | C3 | O1 | 179.7° | 179.7° |
| C3 | C4 | C5 | C6 | 1.5° | 1.5° |
| C4 | C3 | C2 | C1 | 0.6° | 0.6° |
| C4 | C3 | C2 | O1 | 179.4° | 179.4° |
| C3 | C4 | C5 | H5 | 178.5° | 178.5° |
| C4 | C3 | C2 | H2 | 179.5° | 179.5° |
| C4 | C3 | O1 | H1 | 127.1° | 127.1° |
| CL1 | C4 | C5 | C6 | 179.3° | 179.3° |
| CL1 | C4 | C3 | C2 | 178.5° | 178.5° |
| CL1 | C4 | C3 | O1 | 2.1° | 2.1° |
| CL1 | C4 | C5 | H5 | 0.7° | 0.7° |
| C5 | C6 | C1 | CL3 | 179.4° | 179.4° |
| C5 | C6 | C1 | C2 | 0.9° | 0.9° |
| C5 | C6 | C1 | CL5 | 178.3° | 178.3° |
| C6 | C1 | C2 | CL5 | 177.5° | 177.5° |
| C6 | C1 | C2 | C3 | 1.4° | 1.4° |
| C1 | C6 | C5 | H5 | 179.4° | 179.4° |
| C6 | C1 | C2 | H2 | 178.6° | 178.6° |
| CL3 | C6 | C1 | C2 | 179.7° | 179.7° |
| CL3 | C6 | C1 | CL5 | 2.3° | 2.3° |
| CL3 | C6 | C5 | H5 | 1.1° | 1.1° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | O1 | 178.9° | 178.9° |
| CL5 | C1 | C2 | C3 | 178.9° | 178.9° |
| CL5 | C1 | C2 | H2 | 1.1° | 1.1° |
| C2 | C3 | O1 | H1 | 53.5° | 53.5° |
| O1 | C3 | C2 | H2 | 1.1° | 1.1° |
