DW3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.21Å | 1.11Å | |
| C02 | C03 | sing | 1.51Å | 1.46Å | |
| C03 | O04 | sing | 1.43Å | 1.35Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| O04 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 117.5° | 120.0° |
| O01 | C02 | H1 | 121.3° | 120.0° |
| C02 | C03 | O04 | 102.7° | 109.5° |
| C03 | C02 | H1 | 121.2° | 120.0° |
| C02 | C03 | H2 | 111.1° | 109.5° |
| C02 | C03 | H3 | 111.1° | 109.5° |
| O04 | C03 | H2 | 111.1° | 109.5° |
| O04 | C03 | H3 | 111.1° | 109.5° |
| C03 | O04 | H4 | 109.5° | 114.0° |
| H2 | C03 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | H1 | 180.0° | 179.8° |
| O01 | C02 | C03 | O04 | 69.4° | 125.0° |
| O01 | C02 | C03 | H2 | 49.5° | 115.0° |
| O01 | C02 | C03 | H3 | 171.7° | 5.0° |
| C02 | C03 | O04 | H2 | 118.9° | 120.0° |
| C02 | C03 | O04 | H3 | 118.9° | 120.0° |
| C02 | C03 | H2 | H3 | 123.1° | 120.0° |
| C02 | C03 | O04 | H4 | 24.8° | 180.0° |
| O04 | C03 | C02 | H1 | 110.7° | 55.3° |
| O04 | C03 | H2 | H3 | 123.2° | 120.0° |
| H1 | C02 | C03 | H2 | 130.4° | 64.8° |
| H1 | C02 | C03 | H3 | 8.2° | 175.3° |
| H2 | C03 | O04 | H4 | 94.1° | 59.9° |
| H3 | C03 | O04 | H4 | 143.7° | 60.0° |
