GXE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| SE | C | sing | 1.96Å | 1.66Å | |
| C | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
| SE | H1 | sing | 1.56Å | 1.46Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C | 121.3° | 120.0° |
| C1 | C2 | C3 | 122.1° | 120.0° |
| C2 | C1 | H2 | 119.4° | 120.0° |
| C1 | C2 | H3 | 119.0° | 120.0° |
| C1 | C | SE | 123.7° | 120.0° |
| C1 | C | C5 | 115.4° | 120.0° |
| C | C1 | H2 | 119.3° | 120.0° |
| C2 | C3 | C4 | 117.8° | 120.0° |
| C3 | C2 | H3 | 118.9° | 120.0° |
| C2 | C3 | H4 | 121.1° | 120.0° |
| SE | C | C5 | 120.9° | 120.0° |
| C | SE | H1 | 109.5° | 101.0° |
| C | C5 | C4 | 123.9° | 120.0° |
| C | C5 | H6 | 118.0° | 120.0° |
| C3 | C4 | C5 | 119.5° | 120.0° |
| C4 | C3 | H4 | 121.1° | 120.0° |
| C3 | C4 | H5 | 120.2° | 120.0° |
| C5 | C4 | H5 | 120.3° | 120.0° |
| C4 | C5 | H6 | 118.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C2 | C1 | C | SE | 179.2° | 180.0° |
| C2 | C1 | C | C5 | 0.3° | 0.3° |
| C1 | C2 | C3 | C4 | 1.2° | 0.0° |
| C1 | C2 | C3 | H4 | 178.8° | 180.0° |
| C | C1 | C2 | C3 | 1.9° | 0.1° |
| C1 | C | SE | C5 | 179.5° | 179.7° |
| C1 | C | C5 | C4 | 2.0° | 0.5° |
| C1 | C | SE | H1 | 180.0° | 89.7° |
| C | C1 | C2 | H3 | 178.1° | 180.0° |
| C1 | C | C5 | H6 | 178.0° | 179.7° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.1° | 0.2° |
| C3 | C2 | C1 | H2 | 178.1° | 180.0° |
| C2 | C3 | C4 | H5 | 178.9° | 180.0° |
| SE | C | C5 | C4 | 178.5° | 179.8° |
| SE | C | C1 | H2 | 0.8° | 0.0° |
| SE | C | C5 | H6 | 1.5° | 0.0° |
| C | C5 | C4 | C3 | 2.8° | 0.5° |
| C | C5 | C4 | H6 | 180.0° | 179.8° |
| C5 | C | SE | H1 | 0.5° | 90.0° |
| C5 | C | C1 | H2 | 179.7° | 179.7° |
| C | C5 | C4 | H5 | 177.3° | 179.7° |
| C3 | C4 | C5 | H5 | 180.0° | 179.8° |
| C4 | C3 | C2 | H3 | 178.8° | 180.0° |
| C3 | C4 | C5 | H6 | 177.2° | 179.8° |
| C5 | C4 | C3 | H4 | 178.9° | 179.8° |
| H2 | C1 | C2 | H3 | 1.9° | 0.0° |
| H3 | C2 | C3 | H4 | 1.2° | 0.1° |
| H4 | C3 | C4 | H5 | 1.1° | 0.1° |
| H5 | C4 | C5 | H6 | 2.8° | 0.0° |
