EBF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C6 | doub | 1.22Å | 1.25Å | |
| C7 | C6 | sing | 1.41Å | 1.40Å | |
| C7 | C8 | doub | 1.36Å | 1.44Å | |
| C6 | O | sing | 1.34Å | 1.37Å | |
| O | C3 | sing | 1.35Å | 1.36Å | |
| C8 | C4 | sing | 1.46Å | 1.40Å | |
| C3 | C4 | doub | 1.41Å | 1.49Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C | doub | 1.36Å | 1.40Å | Aromatic |
| C9 | O2 | sing | 1.43Å | 1.43Å | |
| C1 | C | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O2 | sing | 1.36Å | 1.37Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C6 | C7 | 119.1° | 119.1° |
| O1 | C6 | O | 118.3° | 119.2° |
| C6 | C7 | C8 | 120.3° | 119.7° |
| C7 | C6 | O | 122.6° | 121.7° |
| C6 | C7 | H1 | 119.8° | 120.1° |
| C7 | C8 | C4 | 116.7° | 118.2° |
| C8 | C7 | H1 | 119.8° | 120.2° |
| C7 | C8 | H2 | 121.6° | 120.8° |
| C6 | O | C3 | 119.7° | 121.4° |
| O | C3 | C4 | 119.5° | 119.9° |
| O | C3 | C2 | 120.9° | 120.7° |
| C8 | C4 | C3 | 120.4° | 119.0° |
| C8 | C4 | C5 | 120.5° | 121.0° |
| C4 | C8 | H2 | 121.7° | 120.9° |
| C4 | C3 | C2 | 119.3° | 119.4° |
| C3 | C4 | C5 | 118.5° | 120.0° |
| C3 | C2 | C1 | 119.4° | 119.8° |
| C3 | C2 | H5 | 120.3° | 120.1° |
| C4 | C5 | C | 119.3° | 119.8° |
| C4 | C5 | H3 | 120.3° | 120.1° |
| C2 | C1 | C | 121.8° | 120.5° |
| C2 | C1 | O2 | 119.0° | 119.8° |
| C1 | C2 | H5 | 120.3° | 120.1° |
| C5 | C | C1 | 120.8° | 120.4° |
| C | C5 | H3 | 120.4° | 120.1° |
| C5 | C | H4 | 119.6° | 119.8° |
| C9 | O2 | C1 | 119.5° | 117.0° |
| O2 | C9 | H6 | 109.5° | 109.5° |
| O2 | C9 | H7 | 109.5° | 109.4° |
| O2 | C9 | H8 | 109.5° | 109.5° |
| C | C1 | O2 | 119.3° | 119.7° |
| C1 | C | H4 | 119.6° | 119.8° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H6 | C9 | H8 | 109.4° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C6 | C7 | O | 179.6° | 179.7° |
| O1 | C6 | C7 | C8 | 172.2° | 180.0° |
| O1 | C6 | O | C3 | 179.7° | 179.8° |
| O1 | C6 | C7 | H1 | 7.8° | 0.0° |
| C6 | C7 | C8 | H1 | 180.0° | 180.0° |
| C7 | C6 | O | C3 | 0.2° | 0.5° |
| C6 | C7 | C8 | C4 | 9.6° | 0.0° |
| C6 | C7 | C8 | H2 | 170.4° | 180.0° |
| C8 | C7 | C6 | O | 8.2° | 0.2° |
| C7 | C8 | C4 | H2 | 180.0° | 180.0° |
| C7 | C8 | C4 | C3 | 3.7° | 0.0° |
| C7 | C8 | C4 | C5 | 167.0° | 180.0° |
| C6 | O | C3 | C4 | 5.8° | 0.5° |
| C6 | O | C3 | C2 | 179.6° | 180.0° |
| O | C6 | C7 | H1 | 171.8° | 179.7° |
| O | C3 | C4 | C8 | 3.9° | 0.2° |
| O | C3 | C4 | C2 | 174.7° | 179.5° |
| O | C3 | C4 | C5 | 174.8° | 179.8° |
| O | C3 | C2 | C1 | 179.8° | 180.0° |
| O | C3 | C2 | H5 | 0.2° | 0.0° |
| C8 | C4 | C3 | C5 | 170.9° | 180.0° |
| C8 | C4 | C3 | C2 | 178.6° | 179.8° |
| C8 | C4 | C5 | C | 178.7° | 180.0° |
| C4 | C8 | C7 | H1 | 170.4° | 180.0° |
| C8 | C4 | C5 | H3 | 1.3° | 0.0° |
| C4 | C3 | C2 | C1 | 5.2° | 0.5° |
| C3 | C4 | C5 | C | 10.5° | 0.0° |
| C3 | C4 | C8 | H2 | 176.3° | 180.0° |
| C3 | C4 | C5 | H3 | 169.6° | 180.0° |
| C4 | C3 | C2 | H5 | 174.8° | 179.5° |
| C2 | C3 | C4 | C5 | 10.5° | 0.2° |
| C3 | C2 | C1 | H5 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 0.2° | 0.5° |
| C3 | C2 | C1 | O2 | 179.9° | 180.0° |
| C4 | C5 | C | H3 | 180.0° | 180.0° |
| C4 | C5 | C | C1 | 5.3° | 0.0° |
| C5 | C4 | C8 | H2 | 13.0° | 0.0° |
| C4 | C5 | C | H4 | 174.7° | 180.0° |
| C2 | C1 | C | C5 | 0.2° | 0.2° |
| C2 | C1 | O2 | C9 | 72.0° | 180.0° |
| C2 | C1 | C | O2 | 179.7° | 179.5° |
| C2 | C1 | C | H4 | 179.7° | 179.8° |
| C5 | C | C1 | H4 | 180.0° | 180.0° |
| C5 | C | C1 | O2 | 179.9° | 179.8° |
| C9 | O2 | C1 | C | 107.8° | 0.5° |
| O2 | C9 | H6 | H7 | 120.0° | 120.0° |
| O2 | C9 | H6 | H8 | 120.0° | 120.1° |
| O2 | C9 | H7 | H8 | 120.0° | 120.0° |
| C1 | C | C5 | H3 | 174.7° | 180.0° |
| C | C1 | C2 | H5 | 179.8° | 179.5° |
| O2 | C1 | C | H4 | 0.0° | 0.3° |
| O2 | C1 | C2 | H5 | 0.1° | 0.0° |
| C1 | O2 | C9 | H6 | 180.0° | 180.0° |
| C1 | O2 | C9 | H7 | 60.0° | 60.0° |
| C1 | O2 | C9 | H8 | 60.0° | 59.9° |
| H1 | C7 | C8 | H2 | 9.6° | 0.0° |
| H3 | C5 | C | H4 | 5.3° | 0.0° |
| H6 | C9 | H7 | H8 | 120.0° | 120.0° |
