3HB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | O1' | doub | 1.21Å | 1.26Å | |
| C1' | O2' | sing | 1.35Å | 1.26Å | |
| C1' | C1 | sing | 1.48Å | 1.54Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.38Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1' | C1' | O2' | 119.0° | 120.1° |
| O1' | C1' | C1 | 119.7° | 120.0° |
| O2' | C1' | C1 | 121.2° | 120.0° |
| C1' | O2' | HO2' | 109.5° | 117.0° |
| C1' | C1 | C2 | 119.1° | 120.1° |
| C1' | C1 | C6 | 121.6° | 120.2° |
| C2 | C1 | C6 | 119.3° | 119.7° |
| C1 | C2 | C3 | 120.4° | 119.8° |
| C1 | C2 | H2 | 119.8° | 120.1° |
| C1 | C6 | C5 | 120.2° | 120.0° |
| C1 | C6 | H6 | 119.9° | 119.9° |
| C3 | C2 | H2 | 119.8° | 120.1° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | O3 | 117.9° | 120.0° |
| C4 | C3 | O3 | 122.0° | 120.0° |
| C3 | C4 | C5 | 120.3° | 120.2° |
| C3 | C4 | H4 | 119.8° | 119.9° |
| C3 | O3 | HO3 | 109.5° | 114.1° |
| C5 | C4 | H4 | 119.9° | 119.9° |
| C4 | C5 | C6 | 119.8° | 120.2° |
| C4 | C5 | H5 | 120.1° | 119.9° |
| C6 | C5 | H5 | 120.1° | 119.8° |
| C5 | C6 | H6 | 119.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1' | C1' | O2' | C1 | 177.1° | 179.8° |
| O1' | C1' | O2' | HO2' | 0.0° | 0.0° |
| O1' | C1' | C1 | C2 | 2.5° | 0.1° |
| O1' | C1' | C1 | C6 | 176.1° | 179.7° |
| O2' | C1' | C1 | C2 | 179.6° | 179.7° |
| O2' | C1' | C1 | C6 | 1.0° | 0.5° |
| C1 | C1' | O2' | HO2' | 177.1° | 179.8° |
| C1' | C1 | C2 | C6 | 178.6° | 179.8° |
| C1' | C1 | C2 | C3 | 179.5° | 179.9° |
| C1' | C1 | C2 | H2 | 0.5° | 0.1° |
| C1' | C1 | C6 | C5 | 179.5° | 179.7° |
| C1' | C1 | C6 | H6 | 0.5° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C1 | C2 | C3 | O3 | 177.5° | 180.0° |
| C2 | C1 | C6 | C5 | 1.9° | 0.6° |
| C2 | C1 | C6 | H6 | 178.1° | 179.7° |
| C6 | C1 | C2 | C3 | 1.9° | 0.3° |
| C6 | C1 | C2 | H2 | 178.1° | 179.8° |
| C1 | C6 | C5 | C4 | 0.4° | 0.6° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | H5 | 179.6° | 179.7° |
| C2 | C3 | C4 | O3 | 177.8° | 179.9° |
| C2 | C3 | C4 | C5 | 1.1° | 0.1° |
| C2 | C3 | C4 | H4 | 178.9° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.0° |
| H2 | C2 | C3 | C4 | 179.6° | 179.9° |
| H2 | C2 | C3 | O3 | 2.5° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.1° | 0.4° |
| C3 | C4 | C5 | H5 | 178.9° | 179.9° |
| C4 | C3 | O3 | HO3 | 2.2° | 89.9° |
| O3 | C3 | C4 | C5 | 178.9° | 180.0° |
| O3 | C3 | C4 | H4 | 1.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 179.5° | 179.7° |
| H4 | C4 | C5 | C6 | 178.9° | 179.7° |
| H4 | C4 | C5 | H5 | 1.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.4° | 0.0° |
