A1BXY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | trip | 1.17Å | 1.19Å | |
| C03 | C02 | sing | 1.43Å | 1.52Å | |
| O04 | C03 | doub | 1.21Å | 1.25Å | |
| O05 | C03 | sing | 1.35Å | 1.24Å | |
| C01 | H1 | sing | 1.05Å | 1.06Å | |
| O05 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 178.9° | 179.9° |
| C02 | C01 | H1 | 180.0° | 179.9° |
| C02 | C03 | O04 | 120.3° | 120.0° |
| C02 | C03 | O05 | 120.6° | 120.0° |
| O04 | C03 | O05 | 119.1° | 120.0° |
| C03 | O05 | H2 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | O04 | 139.0° | 97.1° |
| C01 | C02 | C03 | O05 | 41.7° | 82.5° |
| C02 | C03 | O04 | O05 | 179.3° | 179.6° |
| C03 | C02 | C01 | H1 | 106.3° | 166.5° |
| C02 | C03 | O05 | H2 | 179.3° | 180.0° |
| O04 | C03 | O05 | H2 | 0.0° | 0.4° |
