EBH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C03 | sing | 1.43Å | 1.39Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | C05 | sing | 1.53Å | 1.50Å | |
| C05 | BR6 | sing | 1.97Å | 1.94Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| O04 | H5 | sing | 0.97Å | 0.95Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C03 | C02 | 113.2° | 109.5° |
| O04 | C03 | C05 | 113.3° | 109.5° |
| O04 | C03 | H4 | 105.9° | 109.5° |
| C03 | O04 | H5 | 109.5° | 114.0° |
| C02 | C03 | C05 | 114.2° | 109.4° |
| C03 | C02 | H1 | 109.5° | 109.5° |
| C03 | C02 | H2 | 109.5° | 109.4° |
| C03 | C02 | H3 | 109.5° | 109.5° |
| C02 | C03 | H4 | 104.5° | 109.5° |
| C03 | C05 | BR6 | 115.9° | 109.4° |
| C05 | C03 | H4 | 104.7° | 109.5° |
| C03 | C05 | H6 | 107.8° | 109.5° |
| C03 | C05 | H7 | 107.8° | 109.5° |
| BR6 | C05 | H6 | 107.8° | 109.5° |
| BR6 | C05 | H7 | 107.8° | 109.5° |
| H1 | C02 | H2 | 109.5° | 109.5° |
| H1 | C02 | H3 | 109.5° | 109.5° |
| H2 | C02 | H3 | 109.5° | 109.4° |
| H6 | C05 | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C03 | C02 | C05 | 131.5° | 120.0° |
| O04 | C03 | C02 | H4 | 114.7° | 120.0° |
| O04 | C03 | C05 | H4 | 114.9° | 120.0° |
| O04 | C03 | C05 | BR6 | 69.1° | 65.0° |
| O04 | C03 | C02 | H1 | 180.0° | 180.0° |
| O04 | C03 | C02 | H2 | 60.0° | 60.0° |
| O04 | C03 | C02 | H3 | 60.0° | 60.0° |
| O04 | C03 | C05 | H6 | 51.8° | 175.0° |
| O04 | C03 | C05 | H7 | 169.9° | 54.9° |
| C02 | C03 | C05 | H4 | 113.6° | 120.0° |
| C02 | C03 | C05 | BR6 | 62.4° | 175.0° |
| C03 | C02 | H1 | H2 | 120.0° | 120.0° |
| C03 | C02 | H1 | H3 | 120.0° | 120.0° |
| C03 | C02 | H2 | H3 | 120.0° | 120.0° |
| C02 | C03 | O04 | H5 | 180.0° | 59.9° |
| C02 | C03 | C05 | H6 | 176.7° | 55.0° |
| C02 | C03 | C05 | H7 | 58.6° | 65.1° |
| C03 | C05 | BR6 | H6 | 121.0° | 120.0° |
| C03 | C05 | BR6 | H7 | 121.0° | 119.9° |
| C05 | C03 | C02 | H1 | 48.4° | 60.0° |
| C05 | C03 | C02 | H2 | 168.5° | 180.0° |
| C05 | C03 | C02 | H3 | 71.5° | 60.0° |
| C05 | C03 | O04 | H5 | 48.0° | 60.0° |
| C03 | C05 | H6 | H7 | 117.1° | 120.0° |
| BR6 | C05 | C03 | H4 | 176.0° | 55.0° |
| BR6 | C05 | H6 | H7 | 117.1° | 120.0° |
| H1 | C02 | H2 | H3 | 120.0° | 120.0° |
| H1 | C02 | C03 | H4 | 65.3° | 60.0° |
| H2 | C02 | C03 | H4 | 54.8° | 60.0° |
| H3 | C02 | C03 | H4 | 174.7° | 180.0° |
| H4 | C03 | O04 | H5 | 66.1° | 179.9° |
| H4 | C03 | C05 | H6 | 63.1° | 65.0° |
| H4 | C03 | C05 | H7 | 55.0° | 175.0° |
