DBH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C21 | sing | 1.35Å | 1.35Å | |
| O17 | HO17 | sing | 0.97Å | 0.95Å | |
| C21 | O9 | doub | 1.21Å | 1.24Å | |
| C21 | C18 | sing | 1.47Å | 1.50Å | |
| C18 | C15 | doub | 1.40Å | 1.43Å | Aromatic |
| C18 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | C12 | sing | 1.38Å | 1.35Å | Aromatic |
| C15 | HC15 | sing | 1.08Å | 1.10Å | |
| C12 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | HC12 | sing | 1.08Å | 1.10Å | |
| C3 | O3 | sing | 1.36Å | 1.32Å | |
| C3 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C6 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | O6 | sing | 1.36Å | 1.34Å | |
| C9 | HC9 | sing | 1.08Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | O17 | HO17 | 122.1° | 120.0° |
| O17 | C21 | O9 | 122.1° | 120.0° |
| O17 | C21 | C18 | 114.6° | 120.1° |
| O9 | C21 | C18 | 123.3° | 120.0° |
| C21 | C18 | C15 | 119.9° | 120.1° |
| C21 | C18 | C3 | 123.1° | 120.2° |
| C15 | C18 | C3 | 117.0° | 119.7° |
| C18 | C15 | C12 | 122.0° | 120.0° |
| C18 | C15 | HC15 | 122.0° | 120.0° |
| C18 | C3 | O3 | 125.5° | 120.1° |
| C18 | C3 | C6 | 120.7° | 119.7° |
| C12 | C15 | HC15 | 115.9° | 120.0° |
| C15 | C12 | C9 | 120.7° | 120.3° |
| C15 | C12 | HC12 | 118.4° | 119.8° |
| C9 | C12 | HC12 | 120.9° | 119.9° |
| C12 | C9 | C6 | 118.8° | 120.4° |
| C12 | C9 | HC9 | 120.3° | 119.8° |
| O3 | C3 | C6 | 113.7° | 120.2° |
| C3 | O3 | HO3 | 125.6° | 106.8° |
| C3 | C6 | C9 | 120.7° | 120.0° |
| C3 | C6 | O6 | 114.1° | 120.0° |
| C9 | C6 | O6 | 125.2° | 120.0° |
| C6 | C9 | HC9 | 120.9° | 119.8° |
| C6 | O6 | HO6 | 114.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C21 | O9 | C18 | 178.7° | 180.0° |
| O17 | C21 | C18 | C15 | 146.3° | 0.1° |
| O17 | C21 | C18 | C3 | 32.6° | 179.7° |
| HO17 | O17 | C21 | O9 | 180.0° | 0.0° |
| HO17 | O17 | C21 | C18 | 1.1° | 180.0° |
| O9 | C21 | C18 | C15 | 32.5° | 179.9° |
| O9 | C21 | C18 | C3 | 148.6° | 0.2° |
| C21 | C18 | C15 | C3 | 178.9° | 179.8° |
| C21 | C18 | C15 | C12 | 179.4° | 180.0° |
| C21 | C18 | C15 | HC15 | 0.6° | 0.1° |
| C21 | C18 | C3 | O3 | 0.9° | 0.3° |
| C21 | C18 | C3 | C6 | 179.3° | 179.7° |
| C18 | C15 | C12 | HC15 | 180.0° | 179.9° |
| C18 | C15 | C12 | C9 | 0.4° | 0.1° |
| C18 | C15 | C12 | HC12 | 179.6° | 179.9° |
| C15 | C18 | C3 | O3 | 179.8° | 179.9° |
| C15 | C18 | C3 | C6 | 0.4° | 0.5° |
| C3 | C18 | C15 | C12 | 0.4° | 0.2° |
| C3 | C18 | C15 | HC15 | 179.6° | 179.8° |
| C18 | C3 | O3 | C6 | 179.8° | 179.4° |
| C18 | C3 | O3 | HO3 | 180.0° | 90.6° |
| C18 | C3 | C6 | C9 | 0.4° | 0.5° |
| C18 | C3 | C6 | O6 | 179.9° | 179.7° |
| C15 | C12 | C9 | HC12 | 180.0° | 180.0° |
| C15 | C12 | C9 | C6 | 0.3° | 0.0° |
| C15 | C12 | C9 | HC9 | 179.7° | 180.0° |
| HC15 | C15 | C12 | C9 | 179.6° | 180.0° |
| HC15 | C15 | C12 | HC12 | 0.4° | 0.0° |
| C12 | C9 | C6 | C3 | 0.3° | 0.3° |
| C12 | C9 | C6 | HC9 | 180.0° | 180.0° |
| C12 | C9 | C6 | O6 | 179.8° | 179.9° |
| HC12 | C12 | C9 | C6 | 179.7° | 180.0° |
| HC12 | C12 | C9 | HC9 | 0.3° | 0.1° |
| O3 | C3 | C6 | C9 | 179.8° | 180.0° |
| O3 | C3 | C6 | O6 | 0.3° | 0.2° |
| C6 | C3 | O3 | HO3 | 0.2° | 90.0° |
| C3 | C6 | C9 | O6 | 179.5° | 179.8° |
| C3 | C6 | C9 | HC9 | 179.7° | 179.7° |
| C3 | C6 | O6 | HO6 | 180.0° | 89.7° |
| C9 | C6 | O6 | HO6 | 0.5° | 90.0° |
| O6 | C6 | C9 | HC9 | 0.2° | 0.1° |
