MBR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | BR2 | sing | 1.97Å | 1.91Å | |
| C1 | BR1 | sing | 1.97Å | 1.89Å | |
| C1 | BR3 | sing | 1.96Å | 1.90Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR2 | C1 | BR1 | 108.2° | 109.5° |
| BR2 | C1 | BR3 | 108.1° | 109.5° |
| BR2 | C1 | H1 | 110.7° | 109.5° |
| BR1 | C1 | BR3 | 107.8° | 109.5° |
| BR1 | C1 | H1 | 110.9° | 109.5° |
| BR3 | C1 | H1 | 111.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR2 | C1 | BR1 | BR3 | 116.7° | 120.0° |
| BR2 | C1 | BR1 | H1 | 121.6° | 120.0° |
| BR2 | C1 | BR3 | H1 | 121.6° | 120.0° |
| BR1 | C1 | BR3 | H1 | 121.7° | 120.0° |
