WE4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | doub | 1.22Å | 1.26Å | |
| C10 | O12 | sing | 1.35Å | 1.26Å | |
| C10 | C09 | sing | 1.48Å | 1.53Å | |
| BR08 | C07 | sing | 1.89Å | 1.94Å | |
| C09 | C07 | doub | 1.40Å | 1.38Å | Aromatic |
| C09 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| BR14 | C13 | sing | 1.89Å | 1.94Å | |
| C07 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | BR06 | sing | 1.89Å | 1.94Å | |
| C05 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | BR16 | sing | 1.89Å | 1.94Å | |
| C04 | C02 | sing | 1.48Å | 1.53Å | |
| O03 | C02 | doub | 1.21Å | 1.26Å | |
| C02 | O01 | sing | 1.35Å | 1.26Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| O12 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | O12 | 119.9° | 120.0° |
| O11 | C10 | C09 | 119.9° | 119.9° |
| O12 | C10 | C09 | 120.2° | 120.0° |
| C10 | O12 | H2 | 109.5° | 117.0° |
| C10 | C09 | C07 | 120.2° | 120.0° |
| C10 | C09 | C13 | 119.7° | 120.0° |
| BR08 | C07 | C09 | 120.0° | 120.0° |
| BR08 | C07 | C05 | 120.3° | 120.0° |
| C07 | C09 | C13 | 120.1° | 120.0° |
| C09 | C07 | C05 | 119.8° | 120.0° |
| C09 | C13 | BR14 | 118.2° | 120.0° |
| C09 | C13 | C15 | 120.2° | 120.0° |
| BR14 | C13 | C15 | 121.6° | 120.0° |
| C07 | C05 | BR06 | 119.6° | 120.0° |
| C07 | C05 | C04 | 120.2° | 120.0° |
| C13 | C15 | C04 | 119.5° | 120.0° |
| C13 | C15 | BR16 | 121.6° | 120.0° |
| BR06 | C05 | C04 | 120.2° | 120.0° |
| C05 | C04 | C15 | 120.2° | 120.0° |
| C05 | C04 | C02 | 120.3° | 120.0° |
| C04 | C15 | BR16 | 118.9° | 120.0° |
| C15 | C04 | C02 | 119.5° | 120.0° |
| C04 | C02 | O03 | 119.9° | 120.0° |
| C04 | C02 | O01 | 120.1° | 120.0° |
| O03 | C02 | O01 | 120.0° | 120.0° |
| C02 | O01 | H1 | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | O12 | C09 | 179.9° | 179.7° |
| O11 | C10 | C09 | C07 | 88.0° | 90.3° |
| O11 | C10 | C09 | C13 | 91.8° | 89.8° |
| O11 | C10 | O12 | H2 | 0.0° | 0.3° |
| O12 | C10 | C09 | C07 | 92.1° | 90.0° |
| O12 | C10 | C09 | C13 | 88.1° | 89.9° |
| C10 | C09 | C07 | BR08 | 0.1° | 0.0° |
| C10 | C09 | C07 | C13 | 179.9° | 179.9° |
| C10 | C09 | C13 | BR14 | 0.3° | 0.4° |
| C10 | C09 | C07 | C05 | 179.9° | 180.0° |
| C10 | C09 | C13 | C15 | 179.9° | 180.0° |
| C09 | C10 | O12 | H2 | 179.8° | 180.0° |
| BR08 | C07 | C09 | C05 | 180.0° | 180.0° |
| BR08 | C07 | C09 | C13 | 179.9° | 179.9° |
| BR08 | C07 | C05 | BR06 | 0.1° | 0.1° |
| BR08 | C07 | C05 | C04 | 180.0° | 179.9° |
| C07 | C09 | C13 | BR14 | 179.9° | 179.7° |
| C07 | C09 | C13 | C15 | 0.1° | 0.0° |
| C09 | C07 | C05 | BR06 | 179.9° | 180.0° |
| C09 | C07 | C05 | C04 | 0.0° | 0.0° |
| C09 | C13 | BR14 | C15 | 179.8° | 179.7° |
| C13 | C09 | C07 | C05 | 0.1° | 0.0° |
| C09 | C13 | C15 | C04 | 0.0° | 0.0° |
| C09 | C13 | C15 | BR16 | 179.9° | 180.0° |
| BR14 | C13 | C15 | C04 | 179.8° | 179.7° |
| BR14 | C13 | C15 | BR16 | 0.1° | 0.4° |
| C07 | C05 | BR06 | C04 | 179.9° | 180.0° |
| C07 | C05 | C04 | C15 | 0.1° | 0.0° |
| C07 | C05 | C04 | C02 | 180.0° | 180.0° |
| C13 | C15 | C04 | C05 | 0.1° | 0.0° |
| C13 | C15 | C04 | BR16 | 179.9° | 179.9° |
| C13 | C15 | C04 | C02 | 180.0° | 180.0° |
| BR06 | C05 | C04 | C15 | 180.0° | 180.0° |
| BR06 | C05 | C04 | C02 | 0.1° | 0.0° |
| C05 | C04 | C15 | C02 | 179.9° | 180.0° |
| C05 | C04 | C15 | BR16 | 180.0° | 180.0° |
| C05 | C04 | C02 | O03 | 100.3° | 90.0° |
| C05 | C04 | C02 | O01 | 79.8° | 90.0° |
| C15 | C04 | C02 | O03 | 79.6° | 90.0° |
| C15 | C04 | C02 | O01 | 100.3° | 90.0° |
| BR16 | C15 | C04 | C02 | 0.1° | 0.0° |
| C04 | C02 | O03 | O01 | 179.9° | 180.0° |
| C04 | C02 | O01 | H1 | 179.9° | 179.9° |
| O03 | C02 | O01 | H1 | 0.0° | 0.0° |
