BE7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 1.53Å | |
| C1 | O9 | sing | 1.25Å | 1.33Å | |
| C1 | O8 | doub | 1.25Å | 1.23Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.37Å | 1.43Å | Aromatic |
| C3 | H3 | sing | 0.95Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 0.94Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | HG | sing | 2.08Å | 2.29Å | |
| C6 | C7 | sing | 1.37Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 0.94Å | 1.08Å | |
| O9 | HO9 | sing | 9.43Å | 0.95Å | |
| C7 | H7 | sing | 0.95Å | 1.08Å | |
| HG | CL1 | sing | 2.32Å | 33.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O9 | 115.0° | 118.5° |
| C2 | C1 | O8 | 125.0° | 118.5° |
| C1 | C2 | C3 | 120.7° | 121.4° |
| C1 | C2 | C7 | 120.0° | 121.5° |
| O9 | C1 | O8 | 120.0° | 122.9° |
| C1 | O9 | HO9 | 109.5° | 60.6° |
| C3 | C2 | C7 | 119.3° | 117.1° |
| C2 | C3 | C4 | 119.8° | 121.5° |
| C2 | C3 | H3 | 120.1° | 120.2° |
| C2 | C7 | C6 | 120.3° | 121.5° |
| C2 | C7 | H7 | 119.8° | 120.3° |
| C4 | C3 | H3 | 120.1° | 118.3° |
| C3 | C4 | C5 | 120.7° | 120.4° |
| C3 | C4 | H4 | 119.7° | 119.4° |
| C5 | C4 | H4 | 119.6° | 120.2° |
| C4 | C5 | C6 | 119.4° | 119.1° |
| C4 | C5 | HG | 107.3° | 120.4° |
| C6 | C5 | HG | 133.3° | 120.4° |
| C5 | C6 | C7 | 120.5° | 120.4° |
| C5 | C6 | H6 | 119.7° | 120.3° |
| C5 | HG | CL1 | 163.2° | 180.0° |
| C7 | C6 | H6 | 119.8° | 119.4° |
| C6 | C7 | H7 | 119.8° | 118.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O9 | O8 | 180.0° | 179.9° |
| C1 | C2 | C3 | C7 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 0.0° | 0.1° |
| C1 | C2 | C7 | C6 | 180.0° | 180.0° |
| C2 | C1 | O9 | HO9 | 179.9° | 8.4° |
| C1 | C2 | C7 | H7 | 0.0° | 0.0° |
| O9 | C1 | C2 | C3 | 179.9° | 180.0° |
| O9 | C1 | C2 | C7 | 0.0° | 0.1° |
| O8 | C1 | C2 | C3 | 0.1° | 0.1° |
| O8 | C1 | C2 | C7 | 179.9° | 180.0° |
| O8 | C1 | O9 | HO9 | 0.0° | 171.6° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C2 | C3 | C4 | H4 | 179.8° | 179.9° |
| C3 | C2 | C7 | C6 | 0.1° | 0.0° |
| C3 | C2 | C7 | H7 | 179.9° | 179.9° |
| C7 | C2 | C3 | C4 | 0.1° | 0.1° |
| C7 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C7 | C6 | C5 | 0.1° | 0.0° |
| C2 | C7 | C6 | H7 | 180.0° | 180.0° |
| C2 | C7 | C6 | H6 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C5 | HG | 179.9° | 180.0° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| C4 | C5 | C6 | HG | 179.6° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.0° |
| C4 | C5 | C6 | H6 | 179.6° | 180.0° |
| C4 | C5 | HG | CL1 | 93.3° | 130.0° |
| H4 | C4 | C5 | C6 | 179.6° | 180.0° |
| H4 | C4 | C5 | HG | 0.1° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | HG | CL1 | 87.1° | 50.0° |
| HG | C5 | C6 | C7 | 180.0° | 180.0° |
| HG | C5 | C6 | H6 | 0.0° | 0.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
