MEB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.31Å | 1.39Å | |
| C1 | C3 | sing | 1.51Å | 1.38Å | |
| C1 | C1' | sing | 1.51Å | 1.50Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C1' | H1'1 | sing | 1.09Å | 1.10Å | |
| C1' | H1'2 | sing | 1.09Å | 1.10Å | |
| C1' | H1'3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.3° | 120.0° |
| C2 | C1 | C1' | 120.8° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C1 | C2 | H21 | 120.0° | 120.0° |
| C3 | C1 | C1' | 118.5° | 120.0° |
| C1 | C3 | H3 | 109.5° | 109.5° |
| C1 | C3 | H31 | 109.5° | 109.5° |
| C1 | C3 | H32 | 109.5° | 109.5° |
| C1 | C1' | H1'1 | 109.5° | 109.4° |
| C1 | C1' | H1'2 | 109.5° | 109.5° |
| C1 | C1' | H1'3 | 109.5° | 109.5° |
| H2 | C2 | H21 | 120.0° | 120.1° |
| H3 | C3 | H31 | 109.4° | 109.4° |
| H3 | C3 | H32 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H1'1 | C1' | H1'2 | 109.5° | 109.4° |
| H1'1 | C1' | H1'3 | 109.4° | 109.5° |
| H1'2 | C1' | H1'3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | C1' | 173.3° | 179.7° |
| C1 | C2 | H2 | H21 | 180.0° | 180.0° |
| C2 | C1 | C3 | H3 | 180.0° | 90.0° |
| C2 | C1 | C3 | H31 | 60.0° | 150.0° |
| C2 | C1 | C3 | H32 | 60.0° | 30.0° |
| C2 | C1 | C1' | H1'1 | 180.0° | 90.0° |
| C2 | C1 | C1' | H1'2 | 60.0° | 150.0° |
| C2 | C1 | C1' | H1'3 | 60.0° | 30.0° |
| C3 | C1 | C2 | H2 | 173.1° | 180.0° |
| C3 | C1 | C2 | H21 | 6.9° | 0.0° |
| C1 | C3 | H3 | H31 | 120.0° | 120.0° |
| C1 | C3 | H3 | H32 | 120.0° | 120.0° |
| C1 | C3 | H31 | H32 | 120.0° | 120.0° |
| C3 | C1 | C1' | H1'1 | 6.8° | 90.3° |
| C3 | C1 | C1' | H1'2 | 126.8° | 29.6° |
| C3 | C1 | C1' | H1'3 | 113.2° | 149.7° |
| C1' | C1 | C2 | H2 | 0.0° | 0.3° |
| C1' | C1 | C2 | H21 | 180.0° | 179.7° |
| C1' | C1 | C3 | H3 | 6.7° | 89.7° |
| C1' | C1 | C3 | H31 | 113.3° | 30.3° |
| C1' | C1 | C3 | H32 | 126.8° | 150.3° |
| C1 | C1' | H1'1 | H1'2 | 120.0° | 119.9° |
| C1 | C1' | H1'1 | H1'3 | 120.0° | 120.0° |
| C1 | C1' | H1'2 | H1'3 | 120.0° | 120.1° |
| H3 | C3 | H31 | H32 | 120.0° | 120.0° |
| H1'1 | C1' | H1'2 | H1'3 | 120.0° | 120.0° |
