HBD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C1' | sing | 1.48Å | 1.51Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | O4 | sing | 1.36Å | 1.38Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1' | O1' | doub | 1.22Å | 1.24Å | |
| C1' | N1' | sing | 1.35Å | 1.37Å | |
| N1' | HN'1 | sing | 0.97Å | 1.02Å | |
| N1' | HN'2 | sing | 0.97Å | 1.02Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.5° | 119.9° |
| C2 | C1 | C1' | 120.8° | 120.1° |
| C1 | C2 | C3 | 120.9° | 119.9° |
| C1 | C2 | H2 | 119.6° | 120.1° |
| C6 | C1 | C1' | 119.7° | 120.1° |
| C1 | C6 | C5 | 119.5° | 119.9° |
| C1 | C6 | H6 | 120.4° | 120.1° |
| C1 | C1' | O1' | 125.5° | 120.0° |
| C1 | C1' | N1' | 114.4° | 120.0° |
| C3 | C2 | H2 | 119.5° | 120.0° |
| C2 | C3 | C4 | 120.7° | 120.1° |
| C2 | C3 | H3 | 119.4° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | C5 | 119.2° | 120.2° |
| C3 | C4 | O4 | 117.5° | 119.9° |
| C5 | C4 | O4 | 123.3° | 119.8° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C4 | O4 | HO4 | 117.5° | 106.9° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| O1' | C1' | N1' | 120.1° | 120.0° |
| C1' | N1' | HN'1 | 120.0° | 120.0° |
| C1' | N1' | HN'2 | 114.4° | 120.0° |
| HN'1 | N1' | HN'2 | 125.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C1' | 177.5° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C1 | C6 | C5 | 0.8° | 0.5° |
| C2 | C1 | C6 | H6 | 179.2° | 180.0° |
| C2 | C1 | C1' | O1' | 37.9° | 0.1° |
| C2 | C1 | C1' | N1' | 144.6° | 180.0° |
| C6 | C1 | C2 | C3 | 1.4° | 0.2° |
| C6 | C1 | C2 | H2 | 178.7° | 179.8° |
| C1 | C6 | C5 | C4 | 1.3° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.6° |
| C1 | C6 | C5 | H5 | 178.8° | 179.8° |
| C6 | C1 | C1' | O1' | 144.6° | 179.7° |
| C6 | C1 | C1' | N1' | 32.9° | 0.2° |
| C1' | C1 | C2 | C3 | 178.9° | 179.9° |
| C1' | C1 | C2 | H2 | 1.2° | 0.1° |
| C1' | C1 | C6 | C5 | 178.3° | 179.7° |
| C1' | C1 | C6 | H6 | 1.7° | 0.1° |
| C1 | C1' | O1' | N1' | 177.3° | 179.9° |
| C1 | C1' | N1' | HN'1 | 2.4° | 180.0° |
| C1 | C1' | N1' | HN'2 | 180.0° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 2.3° | 0.0° |
| C2 | C3 | C4 | O4 | 178.6° | 180.0° |
| H2 | C2 | C3 | C4 | 179.8° | 180.0° |
| H2 | C2 | C3 | H3 | 0.2° | 0.0° |
| C3 | C4 | C5 | O4 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 2.8° | 0.2° |
| C3 | C4 | C5 | H5 | 177.2° | 179.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 90.0° |
| H3 | C3 | C4 | C5 | 177.7° | 180.0° |
| H3 | C3 | C4 | O4 | 1.4° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 178.7° | 180.0° |
| C5 | C4 | O4 | HO4 | 1.0° | 90.0° |
| O4 | C4 | C5 | C6 | 178.1° | 179.7° |
| O4 | C4 | C5 | H5 | 1.8° | 0.0° |
| H5 | C5 | C6 | H6 | 1.3° | 0.3° |
| O1' | C1' | N1' | HN'1 | 180.0° | 0.1° |
| O1' | C1' | N1' | HN'2 | 2.4° | 179.8° |
| C1' | N1' | HN'1 | HN'2 | 177.3° | 179.7° |
