XIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.25Å | |
| C1 | O2 | sing | 1.35Å | 1.26Å | |
| C1 | C2 | sing | 1.47Å | 1.40Å | |
| C2 | C3 | doub | 1.35Å | 1.40Å | |
| C3 | C1' | sing | 1.47Å | 1.40Å | |
| C1' | C2' | doub | 1.40Å | 1.40Å | Aromatic |
| C1' | C6' | sing | 1.40Å | 1.39Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.39Å | Aromatic |
| C3' | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C5' | C6' | doub | 1.38Å | 1.40Å | Aromatic |
| C5' | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C2 | HA | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C5' | H5' | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 123.8° | 120.0° |
| O1 | C1 | C2 | 117.1° | 120.0° |
| O2 | C1 | C2 | 119.2° | 120.0° |
| C1 | O2 | H2 | 109.5° | 116.9° |
| C1 | C2 | C3 | 121.7° | 120.0° |
| C1 | C2 | HA | 119.1° | 120.0° |
| C2 | C3 | C1' | 121.8° | 120.0° |
| C3 | C2 | HA | 119.1° | 120.0° |
| C2 | C3 | H3 | 119.1° | 120.0° |
| C3 | C1' | C2' | 121.0° | 120.9° |
| C3 | C1' | C6' | 120.4° | 120.9° |
| C1' | C3 | H3 | 119.1° | 120.0° |
| C2' | C1' | C6' | 118.5° | 118.1° |
| C1' | C2' | C3' | 119.6° | 118.9° |
| C1' | C2' | H2' | 120.2° | 120.5° |
| C1' | C6' | C5' | 119.0° | 119.0° |
| C1' | C6' | H6' | 120.5° | 120.5° |
| C2' | C3' | N4 | 120.4° | 121.0° |
| C3' | C2' | H2' | 120.2° | 120.6° |
| C2' | C3' | H3' | 119.8° | 119.5° |
| C3' | N4 | C5' | 121.8° | 122.1° |
| N4 | C3' | H3' | 119.8° | 119.5° |
| C6' | C5' | N4 | 120.7° | 120.9° |
| C5' | C6' | H6' | 120.5° | 120.5° |
| C6' | C5' | H5' | 119.6° | 119.5° |
| N4 | C5' | H5' | 119.7° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 180.0° | 179.7° |
| O1 | C1 | C2 | C3 | 179.4° | 0.1° |
| O1 | C1 | O2 | H2 | 0.0° | 0.0° |
| O1 | C1 | C2 | HA | 0.6° | 180.0° |
| O2 | C1 | C2 | C3 | 0.6° | 179.8° |
| O2 | C1 | C2 | HA | 179.4° | 0.3° |
| C1 | C2 | C3 | HA | 180.0° | 179.9° |
| C1 | C2 | C3 | C1' | 177.1° | 180.0° |
| C2 | C1 | O2 | H2 | 180.0° | 179.7° |
| C1 | C2 | C3 | H3 | 2.9° | 0.1° |
| C2 | C3 | C1' | H3 | 180.0° | 179.9° |
| C2 | C3 | C1' | C2' | 4.6° | 180.0° |
| C2 | C3 | C1' | C6' | 177.5° | 0.4° |
| C3 | C1' | C2' | C6' | 177.9° | 179.7° |
| C3 | C1' | C2' | C3' | 178.7° | 180.0° |
| C3 | C1' | C6' | C5' | 178.9° | 180.0° |
| C1' | C3 | C2 | HA | 2.9° | 0.1° |
| C3 | C1' | C2' | H2' | 1.3° | 0.0° |
| C3 | C1' | C6' | H6' | 1.1° | 0.0° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | N4 | 0.1° | 0.0° |
| C2' | C1' | C6' | C5' | 0.9° | 0.3° |
| C2' | C1' | C3 | H3 | 175.4° | 0.0° |
| C2' | C1' | C6' | H6' | 179.1° | 179.7° |
| C1' | C2' | C3' | H3' | 179.9° | 180.0° |
| C6' | C1' | C2' | C3' | 0.7° | 0.3° |
| C1' | C6' | C5' | H6' | 180.0° | 180.0° |
| C1' | C6' | C5' | N4 | 0.5° | 0.1° |
| C6' | C1' | C3 | H3 | 2.5° | 179.7° |
| C6' | C1' | C2' | H2' | 179.2° | 179.7° |
| C1' | C6' | C5' | H5' | 179.5° | 180.0° |
| C2' | C3' | N4 | H3' | 180.0° | 180.0° |
| C2' | C3' | N4 | C5' | 0.4° | 0.3° |
| C3' | N4 | C5' | C6' | 0.2° | 0.2° |
| N4 | C3' | C2' | H2' | 179.9° | 180.0° |
| C3' | N4 | C5' | H5' | 179.9° | 179.7° |
| C6' | C5' | N4 | H5' | 180.0° | 179.9° |
| N4 | C5' | C6' | H6' | 179.5° | 179.9° |
| C5' | N4 | C3' | H3' | 179.6° | 179.7° |
| HA | C2 | C3 | H3 | 177.1° | NaN° |
| H2' | C2' | C3' | H3' | 0.1° | 0.0° |
| H6' | C6' | C5' | H5' | 0.5° | 0.0° |
