BZF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.34Å | 1.38Å | Aromatic |
| O1 | C7A | sing | 1.35Å | 1.35Å | Aromatic |
| C2 | C3 | doub | 1.34Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C3A | sing | 1.47Å | 1.43Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C3A | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C3A | C7A | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.38Å | 1.36Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C7A | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | C7A | 109.1° | 111.0° |
| O1 | C2 | C3 | 110.7° | 110.1° |
| O1 | C2 | H2 | 125.6° | 125.1° |
| O1 | C7A | C3A | 106.5° | 107.2° |
| O1 | C7A | C7 | 130.9° | 133.5° |
| C3 | C2 | H2 | 123.7° | 124.8° |
| C2 | C3 | C3A | 105.3° | 106.2° |
| C2 | C3 | H3 | 125.2° | 126.9° |
| C3A | C3 | H3 | 129.6° | 126.9° |
| C3 | C3A | C4 | 133.4° | 134.3° |
| C3 | C3A | C7A | 108.2° | 105.5° |
| C4 | C3A | C7A | 118.3° | 120.2° |
| C3A | C4 | C5 | 119.1° | 119.6° |
| C3A | C4 | H4 | 120.7° | 120.2° |
| C3A | C7A | C7 | 122.4° | 119.3° |
| C5 | C4 | H4 | 120.2° | 120.2° |
| C4 | C5 | C6 | 121.7° | 120.3° |
| C4 | C5 | H5 | 118.4° | 119.9° |
| C6 | C5 | H5 | 119.9° | 119.8° |
| C5 | C6 | C7 | 121.3° | 120.7° |
| C5 | C6 | H6 | 120.3° | 119.7° |
| C7 | C6 | H6 | 118.4° | 119.6° |
| C6 | C7 | C7A | 117.0° | 120.0° |
| C6 | C7 | H7 | 120.9° | 120.0° |
| C7A | C7 | H7 | 122.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H2 | 180.0° | 180.0° |
| O1 | C2 | C3 | C3A | 3.9° | 0.0° |
| O1 | C2 | C3 | H3 | 176.1° | 180.0° |
| C2 | O1 | C7A | C3A | 1.7° | 0.0° |
| C2 | O1 | C7A | C7 | 177.1° | 180.0° |
| C7A | O1 | C2 | C3 | 3.6° | 0.0° |
| C7A | O1 | C2 | H2 | 176.4° | 180.0° |
| O1 | C7A | C3A | C3 | 0.6° | 0.0° |
| O1 | C7A | C3A | C4 | 179.1° | 180.0° |
| O1 | C7A | C3A | C7 | 175.8° | 180.0° |
| O1 | C7A | C7 | C6 | 177.7° | 180.0° |
| O1 | C7A | C7 | H7 | 2.3° | 0.0° |
| C2 | C3 | C3A | H3 | 180.0° | 180.0° |
| C2 | C3 | C3A | C4 | 179.2° | 180.0° |
| C2 | C3 | C3A | C7A | 2.8° | 0.0° |
| H2 | C2 | C3 | C3A | 176.2° | 180.0° |
| H2 | C2 | C3 | H3 | 3.9° | 0.0° |
| C3 | C3A | C4 | C7A | 177.9° | 180.0° |
| C3 | C3A | C4 | C5 | 176.4° | 180.0° |
| C3 | C3A | C4 | H4 | 3.6° | 0.0° |
| C3 | C3A | C7A | C7 | 175.2° | 180.0° |
| H3 | C3 | C3A | C4 | 0.9° | 0.0° |
| H3 | C3 | C3A | C7A | 177.2° | 180.0° |
| C3A | C4 | C5 | H4 | 180.0° | 180.0° |
| C3A | C4 | C5 | C6 | 0.2° | 0.0° |
| C3A | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | C3A | C7A | C7 | 3.2° | 0.0° |
| C7A | C3A | C4 | C5 | 1.5° | 0.0° |
| C7A | C3A | C4 | H4 | 178.5° | 180.0° |
| C3A | C7A | C7 | C6 | 3.0° | 0.0° |
| C3A | C7A | C7 | H7 | 177.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| H4 | C4 | C5 | C6 | 179.8° | 180.0° |
| H4 | C4 | C5 | H5 | 0.3° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C7A | 1.1° | 0.0° |
| C5 | C6 | C7 | H7 | 178.9° | 180.0° |
| H5 | C5 | C6 | C7 | 179.5° | 180.0° |
| H5 | C5 | C6 | H6 | 0.5° | 0.0° |
| C6 | C7 | C7A | H7 | 180.0° | 180.0° |
| H6 | C6 | C7 | C7A | 178.9° | 180.0° |
| H6 | C6 | C7 | H7 | 1.1° | 0.0° |
