LEA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | O2 | sing | 1.34Å | 1.24Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | O1 | doub | 1.21Å | 1.33Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.59Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.44Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C3 | 131.8° | 120.0° |
| O2 | C2 | O1 | 117.2° | 120.0° |
| C2 | O2 | HO2 | 109.5° | 117.0° |
| C3 | C2 | O1 | 110.3° | 120.0° |
| C2 | C3 | C4 | 129.9° | 109.5° |
| C2 | C3 | H31 | 104.1° | 109.4° |
| C2 | C3 | H32 | 104.2° | 109.5° |
| C4 | C3 | H31 | 104.2° | 109.5° |
| C4 | C3 | H32 | 104.1° | 109.5° |
| C3 | C4 | C5 | 110.7° | 109.5° |
| C3 | C4 | H41 | 109.2° | 109.5° |
| C3 | C4 | H42 | 109.2° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| C5 | C4 | H41 | 109.2° | 109.4° |
| C5 | C4 | H42 | 109.2° | 109.5° |
| C4 | C5 | C6 | 120.2° | 109.5° |
| C4 | C5 | H51 | 106.7° | 109.5° |
| C4 | C5 | H52 | 106.7° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.4° |
| C6 | C5 | H51 | 106.7° | 109.4° |
| C6 | C5 | H52 | 106.7° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C5 | C6 | H63 | 109.4° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.4° |
| H62 | C6 | H63 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C3 | O1 | 170.4° | 179.8° |
| O2 | C2 | C3 | C4 | 23.3° | 180.0° |
| O2 | C2 | C3 | H31 | 146.0° | 60.0° |
| O2 | C2 | C3 | H32 | 99.3° | 60.0° |
| C3 | C2 | O2 | HO2 | 169.9° | 180.0° |
| C2 | C3 | C4 | H31 | 122.6° | 120.0° |
| C2 | C3 | C4 | H32 | 122.6° | 120.0° |
| C2 | C3 | H31 | H32 | 110.9° | 120.0° |
| C2 | C3 | C4 | C5 | 163.9° | 180.0° |
| C2 | C3 | C4 | H41 | 76.0° | 60.0° |
| C2 | C3 | C4 | H42 | 43.7° | 60.0° |
| O1 | C2 | O2 | HO2 | 0.0° | 0.3° |
| O1 | C2 | C3 | C4 | 166.3° | 0.3° |
| O1 | C2 | C3 | H31 | 43.6° | 120.2° |
| O1 | C2 | C3 | H32 | 71.1° | 119.8° |
| C4 | C3 | H31 | H32 | 110.9° | 120.0° |
| C3 | C4 | C5 | H41 | 120.2° | 120.0° |
| C3 | C4 | C5 | H42 | 120.2° | 120.0° |
| C3 | C4 | H41 | H42 | 119.5° | 120.0° |
| C3 | C4 | C5 | C6 | 132.6° | 180.0° |
| C3 | C4 | C5 | H51 | 105.9° | 60.0° |
| C3 | C4 | C5 | H52 | 11.1° | 60.0° |
| H31 | C3 | C4 | C5 | 41.2° | 60.0° |
| H31 | C3 | C4 | H41 | 161.4° | 180.0° |
| H31 | C3 | C4 | H42 | 79.0° | 60.0° |
| H32 | C3 | C4 | C5 | 73.5° | 60.0° |
| H32 | C3 | C4 | H41 | 46.7° | 60.0° |
| H32 | C3 | C4 | H42 | 166.3° | 180.0° |
| C5 | C4 | H41 | H42 | 119.5° | 120.0° |
| C4 | C5 | C6 | H51 | 121.5° | 120.0° |
| C4 | C5 | C6 | H52 | 121.5° | 120.0° |
| C4 | C5 | H51 | H52 | 115.1° | 120.0° |
| C4 | C5 | C6 | H61 | 180.0° | 60.0° |
| C4 | C5 | C6 | H62 | 60.0° | 60.0° |
| C4 | C5 | C6 | H63 | 60.0° | 180.0° |
| H41 | C4 | C5 | C6 | 12.4° | 60.0° |
| H41 | C4 | C5 | H51 | 133.9° | 180.0° |
| H41 | C4 | C5 | H52 | 109.1° | 60.0° |
| H42 | C4 | C5 | C6 | 107.2° | 60.0° |
| H42 | C4 | C5 | H51 | 14.3° | 60.0° |
| H42 | C4 | C5 | H52 | 131.3° | 180.0° |
| C6 | C5 | H51 | H52 | 115.2° | 120.0° |
| C5 | C6 | H61 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| H51 | C5 | C6 | H61 | 58.5° | 180.0° |
| H51 | C5 | C6 | H62 | 178.5° | 60.0° |
| H51 | C5 | C6 | H63 | 61.5° | 60.0° |
| H52 | C5 | C6 | H61 | 58.5° | 60.0° |
| H52 | C5 | C6 | H62 | 61.5° | 180.0° |
| H52 | C5 | C6 | H63 | 178.5° | 60.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
