BPV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | BR | sing | 1.97Å | 1.99Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C2 | O3 | doub | 1.21Å | 1.22Å | |
| C2 | C1 | sing | 1.49Å | 1.46Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | O2 | sing | 1.35Å | 1.26Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C3 | C2 | 98.0° | 109.5° |
| BR | C3 | H3 | 113.5° | 109.5° |
| BR | C3 | H3A | 115.8° | 109.5° |
| C2 | C3 | H3 | 113.5° | 109.5° |
| C2 | C3 | H3A | 115.8° | 109.5° |
| C3 | C2 | O3 | 119.7° | 120.0° |
| C3 | C2 | C1 | 120.5° | 120.0° |
| H3 | C3 | H3A | 101.0° | 109.5° |
| O3 | C2 | C1 | 119.5° | 120.0° |
| C2 | C1 | O1 | 118.3° | 120.0° |
| C2 | C1 | O2 | 120.9° | 120.0° |
| O1 | C1 | O2 | 120.6° | 119.9° |
| C1 | O2 | HO2 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C3 | C2 | H3 | 120.0° | 120.0° |
| BR | C3 | C2 | H3A | 123.8° | 120.0° |
| BR | C3 | H3 | H3A | 124.6° | 120.0° |
| BR | C3 | C2 | O3 | 102.0° | 0.0° |
| BR | C3 | C2 | C1 | 72.4° | 180.0° |
| C2 | C3 | H3 | H3A | 124.6° | 120.0° |
| C3 | C2 | O3 | C1 | 174.5° | 180.0° |
| C3 | C2 | C1 | O1 | 16.9° | 0.0° |
| C3 | C2 | C1 | O2 | 158.6° | 180.0° |
| H3 | C3 | C2 | O3 | 18.0° | 120.0° |
| H3 | C3 | C2 | C1 | 167.6° | 60.0° |
| H3A | C3 | C2 | O3 | 134.2° | 120.0° |
| H3A | C3 | C2 | C1 | 51.4° | 60.0° |
| O3 | C2 | C1 | O1 | 168.7° | 180.0° |
| O3 | C2 | C1 | O2 | 15.9° | 0.0° |
| C2 | C1 | O1 | O2 | 175.5° | 180.0° |
| C2 | C1 | O2 | HO2 | 175.4° | 180.0° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.0° |
