8GB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | CL | sing | 1.80Å | 1.80Å | |
| C8 | C6 | sing | 1.51Å | 1.49Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| CL1 | C4 | sing | 1.74Å | 1.76Å | |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | O1 | sing | 1.36Å | 1.36Å | |
| C7 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.47Å | 1.49Å | |
| C1 | O | doub | 1.21Å | 1.24Å | |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C8 | C6 | 110.1° | 109.4° |
| CL | C8 | H6 | 109.3° | 109.5° |
| CL | C8 | H7 | 109.3° | 109.5° |
| C8 | C6 | C5 | 118.8° | 120.0° |
| C8 | C6 | C7 | 122.1° | 119.9° |
| C6 | C8 | H6 | 109.4° | 109.5° |
| C6 | C8 | H7 | 109.3° | 109.4° |
| C6 | C5 | C4 | 120.4° | 120.5° |
| C5 | C6 | C7 | 118.8° | 120.2° |
| C6 | C5 | H4 | 119.8° | 119.8° |
| C5 | C4 | CL1 | 119.2° | 119.8° |
| C5 | C4 | C3 | 121.3° | 120.3° |
| C4 | C5 | H4 | 119.8° | 119.8° |
| CL1 | C4 | C3 | 119.5° | 119.9° |
| C6 | C7 | O1 | 119.5° | 120.2° |
| C6 | C7 | C2 | 120.7° | 119.7° |
| C4 | C3 | C2 | 119.4° | 119.9° |
| C4 | C3 | H3 | 120.3° | 120.1° |
| O1 | C7 | C2 | 119.8° | 120.1° |
| C7 | O1 | H5 | 109.5° | 114.0° |
| C7 | C2 | C3 | 119.3° | 119.5° |
| C7 | C2 | C1 | 119.5° | 120.2° |
| C3 | C2 | C1 | 121.2° | 120.2° |
| C2 | C3 | H3 | 120.3° | 120.0° |
| C2 | C1 | O | 120.9° | 120.0° |
| C2 | C1 | C | 119.1° | 120.0° |
| O | C1 | C | 120.0° | 120.0° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H | 109.4° | 109.4° |
| C1 | C | H2 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H1 | C | H | 109.5° | 109.5° |
| H1 | C | H2 | 109.4° | 109.5° |
| H | C | H2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C8 | C6 | H6 | 120.1° | 120.0° |
| CL | C8 | C6 | H7 | 120.1° | 120.0° |
| CL | C8 | C6 | C5 | 55.4° | 90.0° |
| CL | C8 | C6 | C7 | 118.8° | 90.0° |
| CL | C8 | H6 | H7 | 119.7° | 120.1° |
| C8 | C6 | C5 | C7 | 174.4° | 179.9° |
| C8 | C6 | C5 | C4 | 175.7° | 179.9° |
| C8 | C6 | C7 | O1 | 4.3° | 0.1° |
| C8 | C6 | C7 | C2 | 172.7° | 179.9° |
| C8 | C6 | C5 | H4 | 4.3° | 0.0° |
| C6 | C8 | H6 | H7 | 119.8° | 120.0° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C6 | C5 | C4 | CL1 | 177.8° | 179.7° |
| C6 | C5 | C4 | C3 | 1.9° | 0.0° |
| C5 | C6 | C7 | O1 | 178.5° | 180.0° |
| C5 | C6 | C7 | C2 | 1.4° | 0.0° |
| C5 | C6 | C8 | H6 | 175.5° | 150.0° |
| C5 | C6 | C8 | H7 | 64.7° | 29.9° |
| C5 | C4 | CL1 | C3 | 179.6° | 179.8° |
| C4 | C5 | C6 | C7 | 1.3° | 0.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| CL1 | C4 | C3 | C2 | 179.9° | 179.7° |
| CL1 | C4 | C5 | H4 | 2.2° | 0.2° |
| CL1 | C4 | C3 | H3 | 0.1° | 0.2° |
| C6 | C7 | O1 | C2 | 177.1° | 180.0° |
| C6 | C7 | C2 | C3 | 3.7° | 0.0° |
| C6 | C7 | C2 | C1 | 174.2° | 180.0° |
| C7 | C6 | C5 | H4 | 178.7° | 180.0° |
| C7 | C6 | C8 | H6 | 1.3° | 29.9° |
| C7 | C6 | C8 | H7 | 121.1° | 150.0° |
| C6 | C7 | O1 | H5 | 177.6° | 90.0° |
| C4 | C3 | C2 | C7 | 3.2° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 174.7° | 180.0° |
| C3 | C4 | C5 | H4 | 178.1° | 180.0° |
| O1 | C7 | C2 | C3 | 179.2° | 180.0° |
| O1 | C7 | C2 | C1 | 2.8° | 0.0° |
| C7 | C2 | C3 | C1 | 177.9° | 180.0° |
| C7 | C2 | C1 | O | 7.5° | 0.0° |
| C7 | C2 | C1 | C | 175.1° | 180.0° |
| C7 | C2 | C3 | H3 | 176.8° | 180.0° |
| C2 | C7 | O1 | H5 | 0.5° | 89.9° |
| C3 | C2 | C1 | O | 174.6° | 180.0° |
| C3 | C2 | C1 | C | 2.8° | 0.0° |
| C2 | C1 | O | C | 177.4° | 179.9° |
| C1 | C2 | C3 | H3 | 5.3° | 0.0° |
| C2 | C1 | C | H1 | 177.4° | 0.0° |
| C2 | C1 | C | H | 57.4° | 120.0° |
| C2 | C1 | C | H2 | 62.6° | 120.0° |
| O | C1 | C | H1 | 0.0° | 180.0° |
| O | C1 | C | H | 120.0° | 60.0° |
| O | C1 | C | H2 | 120.0° | 59.9° |
| C1 | C | H1 | H | 120.0° | 120.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H | H2 | 120.0° | 120.0° |
| H1 | C | H | H2 | 120.0° | 120.0° |
