BRJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OB1 | CB1 | sing | 1.43Å | 1.42Å | |
| OB1 | HB1 | sing | 0.97Å | 0.95Å | |
| CB1 | CB | sing | 1.53Å | 1.52Å | |
| CB1 | HB11 | sing | 1.09Å | 1.11Å | |
| CB1 | HB12 | sing | 1.09Å | 1.11Å | |
| CB | BR1 | sing | 1.96Å | 1.91Å | |
| CB | HB1A | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB1 | OB1 | HB1 | 110.0° | 106.9° |
| OB1 | CB1 | CB | 110.0° | 109.5° |
| OB1 | CB1 | HB11 | 112.0° | 109.4° |
| OB1 | CB1 | HB12 | 112.0° | 109.5° |
| CB | CB1 | HB11 | 112.0° | 109.4° |
| CB | CB1 | HB12 | 112.0° | 109.5° |
| CB1 | CB | BR1 | 111.0° | 109.5° |
| CB1 | CB | HB1A | 111.6° | 109.5° |
| CB1 | CB | HB2 | 111.6° | 109.4° |
| HB11 | CB1 | HB12 | 98.4° | 109.5° |
| BR1 | CB | HB1A | 111.6° | 109.5° |
| BR1 | CB | HB2 | 111.6° | 109.4° |
| HB1A | CB | HB2 | 98.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OB1 | CB1 | CB | HB11 | 125.3° | 120.0° |
| OB1 | CB1 | CB | HB12 | 125.2° | 120.1° |
| OB1 | CB1 | HB11 | HB12 | 117.9° | 120.0° |
| OB1 | CB1 | CB | BR1 | 70.1° | 59.9° |
| OB1 | CB1 | CB | HB1A | 164.6° | 180.0° |
| OB1 | CB1 | CB | HB2 | 55.1° | 60.0° |
| HB1 | OB1 | CB1 | CB | 180.0° | 180.0° |
| HB1 | OB1 | CB1 | HB11 | 54.7° | 60.1° |
| HB1 | OB1 | CB1 | HB12 | 54.8° | 59.9° |
| CB | CB1 | HB11 | HB12 | 117.9° | 120.0° |
| CB1 | CB | BR1 | HB1A | 125.3° | 120.1° |
| CB1 | CB | BR1 | HB2 | 125.3° | 119.9° |
| CB1 | CB | HB1A | HB2 | 117.6° | 119.9° |
| HB11 | CB1 | CB | BR1 | 55.1° | 60.1° |
| HB11 | CB1 | CB | HB1A | 70.1° | 60.0° |
| HB11 | CB1 | CB | HB2 | 179.6° | 180.0° |
| HB12 | CB1 | CB | BR1 | 164.6° | 180.0° |
| HB12 | CB1 | CB | HB1A | 39.4° | 59.9° |
| HB12 | CB1 | CB | HB2 | 70.1° | 60.0° |
| BR1 | CB | HB1A | HB2 | 117.5° | 120.0° |
