WXU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C02 | doub | 1.21Å | 1.29Å | |
| O01 | C02 | sing | 1.35Å | 1.28Å | |
| C02 | C03 | sing | 1.49Å | 1.53Å | |
| C03 | O08 | doub | 1.21Å | 1.18Å | |
| C03 | C04 | sing | 1.51Å | 1.53Å | |
| O07 | C04 | sing | 1.43Å | 1.42Å | |
| C04 | C06 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| O01 | H7 | sing | 0.97Å | 0.95Å | |
| O07 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C02 | O01 | 123.4° | 120.0° |
| O09 | C02 | C03 | 121.3° | 120.0° |
| O01 | C02 | C03 | 115.2° | 120.0° |
| C02 | O01 | H7 | 109.5° | 117.0° |
| C02 | C03 | O08 | 118.5° | 120.0° |
| C02 | C03 | C04 | 123.0° | 120.0° |
| O08 | C03 | C04 | 118.4° | 120.0° |
| C03 | C04 | O07 | 114.1° | 109.5° |
| C03 | C04 | C06 | 107.5° | 109.5° |
| C03 | C04 | C05 | 105.9° | 109.5° |
| O07 | C04 | C06 | 110.4° | 109.5° |
| O07 | C04 | C05 | 109.9° | 109.5° |
| C04 | O07 | H8 | 109.5° | 114.1° |
| C06 | C04 | C05 | 109.0° | 109.4° |
| C04 | C06 | H4 | 109.5° | 109.5° |
| C04 | C06 | H5 | 109.4° | 109.5° |
| C04 | C06 | H6 | 109.4° | 109.5° |
| C04 | C05 | H1 | 109.5° | 109.5° |
| C04 | C05 | H2 | 109.5° | 109.5° |
| C04 | C05 | H3 | 109.4° | 109.4° |
| H1 | C05 | H2 | 109.4° | 109.5° |
| H1 | C05 | H3 | 109.5° | 109.5° |
| H2 | C05 | H3 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.5° | 109.4° |
| H4 | C06 | H6 | 109.4° | 109.5° |
| H5 | C06 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C02 | O01 | C03 | 178.2° | 179.7° |
| O09 | C02 | C03 | O08 | 151.5° | 179.8° |
| O09 | C02 | C03 | C04 | 30.0° | 0.3° |
| O09 | C02 | O01 | H7 | 0.0° | 0.3° |
| O01 | C02 | C03 | O08 | 30.2° | 0.0° |
| O01 | C02 | C03 | C04 | 148.2° | 180.0° |
| C02 | C03 | O08 | C04 | 178.5° | 180.0° |
| C02 | C03 | C04 | O07 | 19.3° | 35.0° |
| C02 | C03 | C04 | C06 | 142.0° | 85.0° |
| C02 | C03 | C04 | C05 | 101.7° | 155.0° |
| C03 | C02 | O01 | H7 | 178.2° | 180.0° |
| O08 | C03 | C04 | O07 | 162.3° | 145.0° |
| O08 | C03 | C04 | C06 | 39.6° | 95.0° |
| O08 | C03 | C04 | C05 | 76.8° | 25.0° |
| C03 | C04 | O07 | C06 | 121.1° | 120.0° |
| C03 | C04 | O07 | C05 | 118.7° | 120.0° |
| C03 | C04 | C06 | C05 | 114.3° | 120.0° |
| C03 | C04 | C05 | H1 | 180.0° | 60.0° |
| C03 | C04 | C05 | H2 | 60.0° | 180.0° |
| C03 | C04 | C05 | H3 | 60.0° | 60.0° |
| C03 | C04 | C06 | H4 | 180.0° | 60.0° |
| C03 | C04 | C06 | H5 | 60.0° | 180.0° |
| C03 | C04 | C06 | H6 | 60.0° | 60.0° |
| C03 | C04 | O07 | H8 | 5.4° | 180.0° |
| O07 | C04 | C06 | C05 | 120.7° | 119.9° |
| O07 | C04 | C05 | H1 | 56.4° | 180.0° |
| O07 | C04 | C05 | H2 | 176.3° | 60.0° |
| O07 | C04 | C05 | H3 | 63.6° | 60.0° |
| O07 | C04 | C06 | H4 | 55.0° | 60.0° |
| O07 | C04 | C06 | H5 | 65.0° | 60.0° |
| O07 | C04 | C06 | H6 | 175.0° | 180.0° |
| C06 | C04 | C05 | H1 | 64.7° | 60.0° |
| C06 | C04 | C05 | H2 | 55.3° | 60.0° |
| C06 | C04 | C05 | H3 | 175.3° | 180.0° |
| C04 | C06 | H4 | H5 | 120.0° | 120.0° |
| C04 | C06 | H4 | H6 | 120.0° | 120.0° |
| C04 | C06 | H5 | H6 | 120.0° | 120.0° |
| C06 | C04 | O07 | H8 | 126.5° | 59.9° |
| C04 | C05 | H1 | H2 | 120.0° | 120.0° |
| C04 | C05 | H1 | H3 | 120.0° | 119.9° |
| C04 | C05 | H2 | H3 | 120.0° | 120.0° |
| C05 | C04 | C06 | H4 | 65.7° | 180.0° |
| C05 | C04 | C06 | H5 | 174.3° | 60.0° |
| C05 | C04 | C06 | H6 | 54.3° | 60.0° |
| C05 | C04 | O07 | H8 | 113.3° | 60.0° |
| H1 | C05 | H2 | H3 | 120.0° | 120.1° |
| H4 | C06 | H5 | H6 | 120.0° | 120.0° |
