HBA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | O1' | doub | 1.21Å | 1.25Å | |
| C1' | C1 | sing | 1.47Å | 1.39Å | |
| C1' | H1' | sing | 1.08Å | 1.10Å | |
| C1 | C2 | sing | 1.40Å | 1.37Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | O4 | sing | 1.36Å | 1.25Å | |
| C5 | C6 | sing | 1.37Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1' | C1' | C1 | 117.4° | 120.1° |
| O1' | C1' | H1' | 116.3° | 120.0° |
| C1 | C1' | H1' | 126.3° | 120.0° |
| C1' | C1 | C2 | 116.6° | 120.1° |
| C1' | C1 | C6 | 123.1° | 120.1° |
| C2 | C1 | C6 | 120.1° | 119.8° |
| C1 | C2 | C3 | 121.0° | 119.9° |
| C1 | C2 | H2 | 119.5° | 120.1° |
| C1 | C6 | C5 | 119.0° | 119.9° |
| C1 | C6 | H6 | 121.0° | 120.1° |
| C3 | C2 | H2 | 119.5° | 120.0° |
| C2 | C3 | C4 | 119.3° | 120.1° |
| C2 | C3 | H3 | 120.0° | 119.9° |
| C4 | C3 | H3 | 120.7° | 119.9° |
| C3 | C4 | C5 | 120.9° | 120.2° |
| C3 | C4 | O4 | 115.9° | 119.9° |
| C5 | C4 | O4 | 122.9° | 120.0° |
| C4 | C5 | C6 | 119.6° | 120.1° |
| C4 | C5 | H5 | 120.3° | 119.9° |
| C4 | O4 | HO4 | 115.9° | 106.8° |
| C6 | C5 | H5 | 120.1° | 119.9° |
| C5 | C6 | H6 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1' | C1' | C1 | H1' | 180.0° | 179.9° |
| O1' | C1' | C1 | C2 | 176.5° | 180.0° |
| O1' | C1' | C1 | C6 | 0.9° | 0.0° |
| C1' | C1 | C2 | C6 | 175.7° | 180.0° |
| C1' | C1 | C2 | C3 | 174.5° | 180.0° |
| C1' | C1 | C2 | H2 | 5.6° | 0.0° |
| C1' | C1 | C6 | C5 | 175.0° | 179.7° |
| C1' | C1 | C6 | H6 | 5.0° | 0.1° |
| H1' | C1' | C1 | C2 | 3.5° | 0.0° |
| H1' | C1' | C1 | C6 | 179.1° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C1 | C2 | C3 | H3 | 179.1° | 180.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.3° |
| C2 | C1 | C6 | H6 | 179.6° | 180.0° |
| C6 | C1 | C2 | C3 | 1.2° | 0.0° |
| C6 | C1 | C2 | H2 | 178.7° | 180.0° |
| C1 | C6 | C5 | C4 | 0.8° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C1 | C6 | C5 | H5 | 179.2° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.2° |
| C2 | C3 | C4 | O4 | 174.1° | 180.0° |
| H2 | C2 | C3 | C4 | 179.1° | 180.0° |
| H2 | C2 | C3 | H3 | 0.9° | 0.0° |
| C3 | C4 | C5 | O4 | 174.0° | 179.8° |
| C3 | C4 | C5 | C6 | 1.1° | 0.5° |
| C3 | C4 | C5 | H5 | 178.9° | 180.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 90.0° |
| H3 | C3 | C4 | C5 | 179.7° | 179.7° |
| H3 | C3 | C4 | O4 | 5.9° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.5° |
| C4 | C5 | C6 | H6 | 179.2° | 179.7° |
| C5 | C4 | O4 | HO4 | 5.7° | 90.2° |
| O4 | C4 | C5 | C6 | 172.9° | 179.7° |
| O4 | C4 | C5 | H5 | 7.1° | 0.2° |
| H5 | C5 | C6 | H6 | 0.8° | 0.2° |
