HGB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.35Å | 1.23Å | |
| C1 | O2 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.48Å | 1.43Å | |
| C3 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.08Å | |
| C5 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.08Å | |
| C7 | HG | sing | 2.10Å | 2.04Å | |
| C7 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| HG | O3 | sing | 1.95Å | 26.72Å | |
| C6 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.08Å | |
| C4 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.08Å | |
| O1 | HO11 | sing | 0.97Å | 0.95Å | |
| O3 | HO31 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 118.9° | 120.0° |
| O1 | C1 | C2 | 120.5° | 120.0° |
| C1 | O1 | HO11 | 109.5° | 120.1° |
| O2 | C1 | C2 | 120.6° | 120.0° |
| C1 | C2 | C3 | 120.2° | 120.2° |
| C1 | C2 | C4 | 120.7° | 120.1° |
| C5 | C3 | C2 | 120.3° | 119.9° |
| C5 | C3 | HC3 | 74.9° | 120.1° |
| C3 | C5 | C7 | 120.4° | 120.1° |
| C3 | C5 | HC5 | 120.0° | 120.0° |
| C2 | C3 | HC3 | 164.7° | 120.0° |
| C3 | C2 | C4 | 119.1° | 119.7° |
| C7 | C5 | HC5 | 119.7° | 119.9° |
| C5 | C7 | HG | 119.4° | 119.9° |
| C5 | C7 | C6 | 119.6° | 120.3° |
| HG | C7 | C6 | 121.0° | 119.8° |
| C7 | HG | O3 | 155.1° | 179.9° |
| C7 | C6 | C4 | 120.0° | 120.2° |
| C7 | C6 | HC6 | 164.9° | 119.9° |
| HG | O3 | HO31 | 90.0° | 106.7° |
| C4 | C6 | HC6 | 75.0° | 119.9° |
| C6 | C4 | C2 | 120.5° | 119.8° |
| C6 | C4 | HC4 | 119.9° | 120.1° |
| C2 | C4 | HC4 | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.6° | 180.0° |
| O1 | C1 | C2 | C3 | 179.6° | 180.0° |
| O1 | C1 | C2 | C4 | 0.7° | 0.0° |
| O2 | C1 | C2 | C3 | 0.9° | 0.0° |
| O2 | C1 | C2 | C4 | 179.7° | 180.0° |
| O2 | C1 | O1 | HO11 | 0.0° | 0.0° |
| C1 | C2 | C3 | C5 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 178.8° | 180.0° |
| C1 | C2 | C3 | HC3 | 1.2° | 0.1° |
| C1 | C2 | C4 | C6 | 179.8° | 179.8° |
| C1 | C2 | C4 | HC4 | 0.8° | 0.0° |
| C2 | C1 | O1 | HO11 | 179.6° | 180.0° |
| C5 | C3 | C2 | HC3 | 179.0° | 179.9° |
| C3 | C5 | C7 | HC5 | 179.5° | 179.9° |
| C3 | C5 | C7 | HG | 179.7° | 180.0° |
| C3 | C5 | C7 | C6 | 0.7° | 0.2° |
| C5 | C3 | C2 | C4 | 0.9° | 0.0° |
| C2 | C3 | C5 | C7 | 0.8° | 0.0° |
| C2 | C3 | C5 | HC5 | 179.7° | 179.9° |
| C3 | C2 | C4 | C6 | 0.9° | 0.3° |
| C3 | C2 | C4 | HC4 | 179.7° | 180.0° |
| HC3 | C3 | C5 | C7 | 179.4° | 179.9° |
| HC3 | C3 | C5 | HC5 | 0.1° | 0.0° |
| HC3 | C3 | C2 | C4 | 180.0° | 180.0° |
| C5 | C7 | HG | C6 | 179.6° | 179.8° |
| C5 | C7 | HG | O3 | 95.7° | 0.0° |
| C5 | C7 | C6 | C4 | 0.7° | 0.4° |
| C5 | C7 | C6 | HC6 | 179.9° | 179.9° |
| HC5 | C5 | C7 | HG | 0.2° | 0.1° |
| HC5 | C5 | C7 | C6 | 179.8° | 179.7° |
| HG | C7 | C6 | C4 | 179.7° | 179.8° |
| HG | C7 | C6 | HC6 | 0.3° | 0.3° |
| C7 | HG | O3 | HO31 | 90.0° | 179.9° |
| C6 | C7 | HG | O3 | 84.7° | 179.8° |
| C7 | C6 | C4 | HC6 | 179.8° | 179.5° |
| C7 | C6 | C4 | C2 | 0.8° | 0.5° |
| C7 | C6 | C4 | HC4 | 179.8° | 179.8° |
| C6 | C4 | C2 | HC4 | 179.4° | 179.7° |
| HC6 | C6 | C4 | C2 | 179.3° | 180.0° |
| HC6 | C6 | C4 | HC4 | 0.1° | 0.3° |
