OAA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.25Å | |
| O2 | C1 | sing | 1.22Å | 1.26Å | |
| O4 | C4 | doub | 1.21Å | 1.24Å | |
| O5 | C4 | sing | 1.35Å | 1.22Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O3 | C3 | doub | 1.21Å | 1.21Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.49Å | 1.50Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 126.1° | 120.0° |
| O1 | C1 | C2 | 116.4° | 120.0° |
| O2 | C1 | C2 | 117.2° | 120.0° |
| O4 | C4 | O5 | 124.2° | 120.0° |
| O4 | C4 | C3 | 116.4° | 120.0° |
| C4 | O5 | HO5 | 124.2° | 120.0° |
| O5 | C4 | C3 | 119.4° | 120.0° |
| O3 | C3 | C2 | 125.4° | 120.0° |
| O3 | C3 | C4 | 123.4° | 120.0° |
| C1 | C2 | C3 | 116.1° | 109.5° |
| C1 | C2 | H21 | 109.8° | 109.5° |
| C1 | C2 | H22 | 109.8° | 109.5° |
| C3 | C2 | H21 | 109.8° | 109.5° |
| C3 | C2 | H22 | 109.8° | 109.5° |
| C2 | C3 | C4 | 111.2° | 120.0° |
| H21 | C2 | H22 | 100.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 174.0° | 180.0° |
| O1 | C1 | C2 | C3 | 3.3° | 0.0° |
| O1 | C1 | C2 | H21 | 122.0° | 120.1° |
| O1 | C1 | C2 | H22 | 128.6° | 120.1° |
| O2 | C1 | C2 | C3 | 171.3° | 180.0° |
| O2 | C1 | C2 | H21 | 63.4° | 59.9° |
| O2 | C1 | C2 | H22 | 46.0° | 59.9° |
| O4 | C4 | O5 | C3 | 177.2° | 180.0° |
| O4 | C4 | O5 | HO5 | 180.0° | 0.0° |
| O4 | C4 | C3 | O3 | 5.7° | 180.0° |
| O4 | C4 | C3 | C2 | 176.6° | 0.0° |
| O5 | C4 | C3 | O3 | 176.9° | 0.0° |
| O5 | C4 | C3 | C2 | 0.8° | 180.0° |
| HO5 | O5 | C4 | C3 | 2.8° | 180.0° |
| O3 | C3 | C2 | C1 | 79.5° | 0.0° |
| O3 | C3 | C2 | C4 | 177.6° | 180.0° |
| O3 | C3 | C2 | H21 | 155.2° | 120.0° |
| O3 | C3 | C2 | H22 | 45.7° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 115.6° | 119.9° |
| C1 | C2 | C3 | C4 | 98.1° | 180.0° |
| C3 | C2 | H21 | H22 | 115.6° | 120.0° |
| H21 | C2 | C3 | C4 | 27.2° | 60.0° |
| H22 | C2 | C3 | C4 | 136.6° | 60.0° |






