C5O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | CAH | sing | 1.89Å | 1.90Å | |
| CAH | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAC | doub | 1.38Å | 1.35Å | Aromatic |
| CAD | CAB | doub | 1.38Å | 1.36Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | CAE | sing | 1.51Å | 1.54Å | |
| CAE | H1 | sing | 1.09Å | 1.10Å | |
| CAE | H2 | sing | 1.09Å | 1.10Å | |
| CAE | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | CAH | CAG | 118.7° | 120.0° |
| BR | CAH | CAF | 119.7° | 120.0° |
| CAG | CAH | CAF | 121.5° | 120.0° |
| CAH | CAG | CAD | 116.2° | 120.0° |
| CAH | CAG | H6 | 121.9° | 120.0° |
| CAH | CAF | CAC | 118.0° | 120.0° |
| CAH | CAF | H5 | 121.0° | 120.0° |
| CAG | CAD | CAB | 125.0° | 120.0° |
| CAD | CAG | H6 | 121.9° | 120.0° |
| CAG | CAD | H7 | 117.5° | 120.0° |
| CAF | CAC | CAB | 124.3° | 120.0° |
| CAF | CAC | H4 | 117.9° | 120.0° |
| CAC | CAF | H5 | 121.0° | 120.0° |
| CAD | CAB | CAC | 114.9° | 120.0° |
| CAD | CAB | CAE | 123.1° | 120.0° |
| CAB | CAD | H7 | 117.5° | 120.0° |
| CAC | CAB | CAE | 122.0° | 120.0° |
| CAB | CAC | H4 | 117.8° | 120.0° |
| CAB | CAE | H1 | 109.5° | 109.5° |
| CAB | CAE | H2 | 109.5° | 109.5° |
| CAB | CAE | H3 | 109.5° | 109.5° |
| H1 | CAE | H2 | 109.4° | 109.4° |
| H1 | CAE | H3 | 109.4° | 109.5° |
| H2 | CAE | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | CAH | CAG | CAF | 176.3° | 179.8° |
| BR | CAH | CAG | CAD | 176.7° | 180.0° |
| BR | CAH | CAF | CAC | 176.9° | 179.7° |
| BR | CAH | CAF | H5 | 3.1° | 0.2° |
| BR | CAH | CAG | H6 | 3.3° | 0.2° |
| CAH | CAG | CAD | H6 | 180.0° | 179.8° |
| CAG | CAH | CAF | CAC | 0.6° | 0.1° |
| CAH | CAG | CAD | CAB | 0.8° | 0.5° |
| CAG | CAH | CAF | H5 | 179.4° | 180.0° |
| CAH | CAG | CAD | H7 | 179.2° | 180.0° |
| CAF | CAH | CAG | CAD | 0.5° | 0.2° |
| CAH | CAF | CAC | H5 | 180.0° | 179.9° |
| CAH | CAF | CAC | CAB | 1.1° | 0.0° |
| CAH | CAF | CAC | H4 | 178.9° | 180.0° |
| CAF | CAH | CAG | H6 | 179.5° | 180.0° |
| CAG | CAD | CAB | H7 | 180.0° | 179.4° |
| CAG | CAD | CAB | CAC | 1.2° | 0.6° |
| CAG | CAD | CAB | CAE | 179.1° | 179.8° |
| CAF | CAC | CAB | CAD | 1.4° | 0.3° |
| CAF | CAC | CAB | H4 | 180.0° | 180.0° |
| CAF | CAC | CAB | CAE | 178.9° | 179.9° |
| CAD | CAB | CAC | CAE | 179.7° | 179.7° |
| CAD | CAB | CAE | H1 | 90.2° | 90.3° |
| CAD | CAB | CAE | H2 | 149.9° | 29.7° |
| CAD | CAB | CAE | H3 | 29.8° | 149.7° |
| CAD | CAB | CAC | H4 | 178.6° | 179.7° |
| CAB | CAD | CAG | H6 | 179.2° | 179.7° |
| CAC | CAB | CAE | H1 | 90.2° | 90.0° |
| CAC | CAB | CAE | H2 | 29.8° | 150.0° |
| CAC | CAB | CAE | H3 | 149.8° | 30.0° |
| CAB | CAC | CAF | H5 | 178.9° | 179.9° |
| CAC | CAB | CAD | H7 | 178.8° | 180.0° |
| CAB | CAE | H1 | H2 | 120.0° | 120.0° |
| CAB | CAE | H1 | H3 | 120.0° | 120.1° |
| CAB | CAE | H2 | H3 | 120.0° | 120.1° |
| CAE | CAB | CAC | H4 | 1.1° | 0.1° |
| CAE | CAB | CAD | H7 | 0.9° | 0.3° |
| H1 | CAE | H2 | H3 | 119.9° | 119.9° |
| H4 | CAC | CAF | H5 | 1.1° | 0.1° |
| H6 | CAG | CAD | H7 | 0.8° | 0.2° |
