BRP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.31Å | 1.33Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | BR | sing | 1.89Å | 1.89Å | |
| C3 | O | sing | 1.43Å | 1.43Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O | H | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 125.7° | 120.0° |
| C2 | C1 | H12 | 108.5° | 120.0° |
| C1 | C2 | C3 | 121.4° | 119.9° |
| C1 | C2 | BR | 119.5° | 120.0° |
| H11 | C1 | H12 | 125.7° | 120.0° |
| C3 | C2 | BR | 119.1° | 120.1° |
| C2 | C3 | O | 112.4° | 109.5° |
| C2 | C3 | H31 | 107.9° | 109.5° |
| C2 | C3 | H32 | 108.5° | 109.4° |
| O | C3 | H31 | 107.9° | 109.5° |
| O | C3 | H32 | 108.5° | 109.5° |
| C3 | O | H | 109.5° | 106.8° |
| H31 | C3 | H32 | 111.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 180.0° | 180.0° |
| C1 | C2 | C3 | BR | 179.9° | 179.9° |
| C1 | C2 | C3 | O | 0.2° | 120.1° |
| C1 | C2 | C3 | H31 | 119.0° | 0.1° |
| C1 | C2 | C3 | H32 | 119.7° | 120.0° |
| H11 | C1 | C2 | C3 | 180.0° | 180.0° |
| H11 | C1 | C2 | BR | 0.1° | 0.1° |
| H12 | C1 | C2 | C3 | 0.0° | 0.0° |
| H12 | C1 | C2 | BR | 179.8° | 180.0° |
| C2 | C3 | O | H31 | 118.8° | 120.0° |
| C2 | C3 | O | H32 | 120.0° | 119.9° |
| C2 | C3 | H31 | H32 | 119.2° | 120.0° |
| C2 | C3 | O | H | 78.7° | 180.0° |
| BR | C2 | C3 | O | 179.6° | 60.0° |
| BR | C2 | C3 | H31 | 60.9° | 180.0° |
| BR | C2 | C3 | H32 | 60.4° | 60.0° |
| O | C3 | H31 | H32 | 119.2° | 120.0° |
| H31 | C3 | O | H | 40.1° | 60.0° |
| H32 | C3 | O | H | 161.4° | 60.1° |
