WCE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | CL | sing | 1.74Å | 1.72Å | |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C7 | sing | 1.48Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | N | sing | 1.35Å | 1.41Å | |
| C7 | O | doub | 1.22Å | 1.21Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N | HN1 | sing | 0.97Å | 1.00Å | |
| N | HN2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C1 | C2 | 119.3° | 119.9° |
| CL | C1 | C6 | 117.2° | 119.9° |
| C2 | C1 | C6 | 123.5° | 120.1° |
| C1 | C2 | C3 | 118.8° | 119.8° |
| C1 | C2 | H2 | 120.6° | 120.1° |
| C1 | C6 | C5 | 115.9° | 120.2° |
| C1 | C6 | H6 | 122.1° | 119.9° |
| C2 | C3 | C4 | 119.0° | 119.8° |
| C2 | C3 | C7 | 119.5° | 120.1° |
| C3 | C2 | H2 | 120.6° | 120.1° |
| C4 | C3 | C7 | 121.5° | 120.1° |
| C3 | C4 | C5 | 121.5° | 119.9° |
| C3 | C4 | H4 | 119.2° | 120.1° |
| C3 | C7 | N | 120.1° | 120.0° |
| C3 | C7 | O | 119.9° | 120.0° |
| C4 | C5 | C6 | 121.2° | 120.2° |
| C5 | C4 | H4 | 119.2° | 120.0° |
| C4 | C5 | H5 | 119.4° | 119.9° |
| C5 | C6 | H6 | 122.1° | 119.9° |
| C6 | C5 | H5 | 119.4° | 119.9° |
| N | C7 | O | 120.0° | 119.9° |
| C7 | N | HN1 | 120.0° | 119.9° |
| C7 | N | HN2 | 120.0° | 120.0° |
| HN1 | N | HN2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C1 | C2 | C6 | 178.6° | 179.7° |
| CL | C1 | C2 | C3 | 179.9° | 180.0° |
| CL | C1 | C6 | C5 | 178.0° | 179.7° |
| CL | C1 | C2 | H2 | 0.1° | 0.1° |
| CL | C1 | C6 | H6 | 2.0° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.4° | 0.0° |
| C1 | C2 | C3 | C7 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.6° |
| C2 | C1 | C6 | H6 | 179.4° | 179.8° |
| C6 | C1 | C2 | C3 | 1.3° | 0.3° |
| C1 | C6 | C5 | C4 | 2.4° | 0.6° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C6 | C1 | C2 | H2 | 178.7° | 179.8° |
| C1 | C6 | C5 | H5 | 177.6° | 179.8° |
| C2 | C3 | C4 | C7 | 178.6° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C7 | N | 160.1° | 180.0° |
| C2 | C3 | C7 | O | 21.4° | 0.1° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 2.4° | 0.3° |
| C4 | C3 | C7 | N | 21.3° | 0.0° |
| C4 | C3 | C7 | O | 157.2° | 180.0° |
| C4 | C3 | C2 | H2 | 178.6° | 180.0° |
| C3 | C4 | C5 | H5 | 177.6° | 180.0° |
| C7 | C3 | C4 | C5 | 178.2° | 180.0° |
| C3 | C7 | N | O | 178.5° | 179.9° |
| C7 | C3 | C2 | H2 | 0.0° | 0.0° |
| C7 | C3 | C4 | H4 | 1.8° | 0.0° |
| C3 | C7 | N | HN1 | 178.5° | 0.0° |
| C3 | C7 | N | HN2 | 1.5° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 177.6° | 179.8° |
| C6 | C5 | C4 | H4 | 177.6° | 179.7° |
| C7 | N | HN1 | HN2 | 180.0° | 180.0° |
| O | C7 | N | HN1 | 0.0° | 179.9° |
| O | C7 | N | HN2 | 180.0° | 0.1° |
| H6 | C6 | C5 | H5 | 2.4° | 0.1° |
| H4 | C4 | C5 | H5 | 2.4° | 0.0° |
