P81
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.33Å | 1.34Å | |
| N1 | C1 | sing | 1.48Å | 1.29Å | |
| N1 | O1 | doub | 1.22Å | 1.38Å | |
| C2 | C1' | sing | 1.48Å | 1.48Å | |
| O2 | N1 | sing | 1.22Å | 1.21Å | |
| C1' | C6' | sing | 1.40Å | 1.39Å | Aromatic |
| C2' | C1' | doub | 1.40Å | 1.40Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.40Å | Aromatic |
| C3' | C4' | doub | 1.39Å | 1.38Å | Aromatic |
| C4' | C5' | sing | 1.39Å | 1.39Å | Aromatic |
| C4' | O4' | sing | 1.36Å | 1.33Å | |
| C6' | C5' | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| O4' | HO4' | sing | 0.97Å | 0.95Å | |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N1 | 121.4° | 120.0° |
| C1 | C2 | C1' | 125.8° | 120.0° |
| C2 | C1 | H1 | 119.3° | 120.0° |
| C1 | C2 | H2 | 117.1° | 120.0° |
| C1 | N1 | O1 | 122.2° | 120.0° |
| C1 | N1 | O2 | 120.7° | 120.0° |
| N1 | C1 | H1 | 119.3° | 120.0° |
| O1 | N1 | O2 | 117.1° | 120.0° |
| C2 | C1' | C6' | 115.0° | 120.0° |
| C2 | C1' | C2' | 124.9° | 120.1° |
| C1' | C2 | H2 | 117.1° | 120.0° |
| C6' | C1' | C2' | 120.0° | 119.9° |
| C1' | C6' | C5' | 120.4° | 119.9° |
| C1' | C6' | H6' | 119.8° | 120.1° |
| C1' | C2' | C3' | 119.4° | 119.9° |
| C1' | C2' | H2' | 120.3° | 120.0° |
| C2' | C3' | C4' | 120.0° | 120.0° |
| C3' | C2' | H2' | 120.3° | 120.0° |
| C2' | C3' | H3' | 120.0° | 120.0° |
| C3' | C4' | C5' | 120.6° | 120.2° |
| C3' | C4' | O4' | 120.6° | 119.9° |
| C4' | C3' | H3' | 120.0° | 120.0° |
| C5' | C4' | O4' | 118.8° | 119.9° |
| C4' | C5' | C6' | 119.6° | 120.1° |
| C4' | C5' | H5' | 120.2° | 120.0° |
| C4' | O4' | HO4' | 109.5° | 114.0° |
| C6' | C5' | H5' | 120.2° | 120.0° |
| C5' | C6' | H6' | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N1 | H1 | 180.0° | 179.7° |
| C2 | C1 | N1 | O1 | 2.2° | 0.0° |
| C1 | C2 | C1' | H2 | 180.0° | 180.0° |
| C2 | C1 | N1 | O2 | 178.7° | 180.0° |
| C1 | C2 | C1' | C6' | 173.9° | 180.0° |
| C1 | C2 | C1' | C2' | 1.2° | 0.3° |
| C1 | N1 | O1 | O2 | 179.1° | 180.0° |
| N1 | C1 | C2 | C1' | 177.1° | 179.7° |
| N1 | C1 | C2 | H2 | 2.9° | 0.3° |
| O1 | N1 | C1 | H1 | 177.8° | 179.7° |
| C2 | C1' | C6' | C2' | 175.4° | 179.6° |
| C2 | C1' | C2' | C3' | 176.8° | 180.0° |
| C2 | C1' | C6' | C5' | 177.3° | 179.7° |
| C1' | C2 | C1 | H1 | 2.8° | 0.0° |
| C2 | C1' | C2' | H2' | 3.3° | 0.1° |
| C2 | C1' | C6' | H6' | 2.7° | 0.1° |
| O2 | N1 | C1 | H1 | 1.3° | 0.3° |
| C6' | C1' | C2' | C3' | 1.8° | 0.3° |
| C1' | C6' | C5' | C4' | 1.9° | 0.6° |
| C1' | C6' | C5' | H6' | 180.0° | 179.7° |
| C6' | C1' | C2 | H2 | 6.1° | 0.1° |
| C6' | C1' | C2' | H2' | 178.2° | 179.7° |
| C1' | C6' | C5' | H5' | 178.1° | 179.7° |
| C1' | C2' | C3' | H2' | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 1.8° | 0.0° |
| C2' | C1' | C6' | C5' | 1.9° | 0.6° |
| C2' | C1' | C2 | H2 | 178.8° | 179.7° |
| C1' | C2' | C3' | H3' | 178.1° | 180.0° |
| C2' | C1' | C6' | H6' | 178.1° | 179.7° |
| C2' | C3' | C4' | H3' | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 1.9° | 0.0° |
| C2' | C3' | C4' | O4' | 178.2° | 180.0° |
| C3' | C4' | C5' | O4' | 179.9° | 180.0° |
| C3' | C4' | C5' | C6' | 1.9° | 0.2° |
| C4' | C3' | C2' | H2' | 178.2° | 179.9° |
| C3' | C4' | O4' | HO4' | 180.0° | 90.0° |
| C3' | C4' | C5' | H5' | 178.1° | 179.9° |
| C4' | C5' | C6' | H5' | 180.0° | 179.7° |
| C5' | C4' | C3' | H3' | 178.1° | 180.0° |
| C5' | C4' | O4' | HO4' | 0.1° | 90.0° |
| C4' | C5' | C6' | H6' | 178.1° | 179.8° |
| O4' | C4' | C5' | C6' | 178.2° | 179.7° |
| O4' | C4' | C3' | H3' | 1.8° | 0.0° |
| O4' | C4' | C5' | H5' | 1.8° | 0.0° |
| H1 | C1 | C2 | H2 | 177.2° | 180.0° |
| H2' | C2' | C3' | H3' | 1.8° | 0.0° |
| H5' | C5' | C6' | H6' | 1.9° | 0.1° |
