PEG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.46Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| O2 | C3 | sing | 1.43Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 108.8° | 109.5° |
| O1 | C1 | H11 | 109.6° | 109.5° |
| O1 | C1 | H12 | 109.6° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C1 | H11 | 109.6° | 109.5° |
| C2 | C1 | H12 | 109.6° | 109.4° |
| C1 | C2 | O2 | 121.3° | 109.5° |
| C1 | C2 | H21 | 106.4° | 109.5° |
| C1 | C2 | H22 | 106.4° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| O2 | C2 | H21 | 106.4° | 109.5° |
| O2 | C2 | H22 | 106.4° | 109.5° |
| C2 | O2 | C3 | 120.8° | 114.0° |
| H21 | C2 | H22 | 109.5° | 109.4° |
| O2 | C3 | C4 | 104.4° | 109.5° |
| O2 | C3 | H31 | 110.7° | 109.5° |
| O2 | C3 | H32 | 110.7° | 109.4° |
| C4 | C3 | H31 | 110.7° | 109.5° |
| C4 | C3 | H32 | 110.7° | 109.4° |
| C3 | C4 | O4 | 118.7° | 109.5° |
| C3 | C4 | H41 | 107.1° | 109.5° |
| C3 | C4 | H42 | 107.1° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| O4 | C4 | H41 | 107.1° | 109.5° |
| O4 | C4 | H42 | 107.1° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| H41 | C4 | H42 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H11 | 119.9° | 120.0° |
| O1 | C1 | C2 | H12 | 119.9° | 120.0° |
| O1 | C1 | H11 | H12 | 120.3° | 120.0° |
| O1 | C1 | C2 | O2 | 115.0° | 65.0° |
| O1 | C1 | C2 | H21 | 6.6° | 175.0° |
| O1 | C1 | C2 | H22 | 123.4° | 55.0° |
| C2 | C1 | H11 | H12 | 120.3° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | O2 | H21 | 121.6° | 120.0° |
| C1 | C2 | O2 | H22 | 121.6° | 120.0° |
| C1 | C2 | H21 | H22 | 114.7° | 120.0° |
| C1 | C2 | O2 | C3 | 179.9° | 180.0° |
| H11 | C1 | O1 | HO1 | 60.1° | 60.0° |
| H11 | C1 | C2 | O2 | 125.1° | 55.0° |
| H11 | C1 | C2 | H21 | 113.2° | 65.0° |
| H11 | C1 | C2 | H22 | 3.5° | 175.0° |
| H12 | C1 | O1 | HO1 | 60.2° | 60.0° |
| H12 | C1 | C2 | O2 | 4.9° | 175.0° |
| H12 | C1 | C2 | H21 | 126.5° | 55.0° |
| H12 | C1 | C2 | H22 | 116.7° | 65.0° |
| O2 | C2 | H21 | H22 | 114.7° | 120.0° |
| C2 | O2 | C3 | C4 | 125.8° | 180.0° |
| C2 | O2 | C3 | H31 | 6.6° | 60.0° |
| C2 | O2 | C3 | H32 | 115.0° | 60.1° |
| H21 | C2 | O2 | C3 | 58.3° | 60.0° |
| H22 | C2 | O2 | C3 | 58.4° | 60.0° |
| O2 | C3 | C4 | H31 | 119.2° | 120.1° |
| O2 | C3 | C4 | H32 | 119.2° | 119.9° |
| O2 | C3 | H31 | H32 | 122.4° | 120.0° |
| O2 | C3 | C4 | O4 | 179.4° | 65.0° |
| O2 | C3 | C4 | H41 | 59.2° | 174.9° |
| O2 | C3 | C4 | H42 | 58.1° | 55.0° |
| C4 | C3 | H31 | H32 | 122.3° | 120.0° |
| C3 | C4 | O4 | H41 | 121.3° | 120.0° |
| C3 | C4 | O4 | H42 | 121.4° | 120.0° |
| C3 | C4 | H41 | H42 | 115.8° | 120.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| H31 | C3 | C4 | O4 | 60.2° | 55.0° |
| H31 | C3 | C4 | H41 | 178.4° | 65.0° |
| H31 | C3 | C4 | H42 | 61.1° | 175.0° |
| H32 | C3 | C4 | O4 | 61.4° | 175.0° |
| H32 | C3 | C4 | H41 | 60.0° | 55.0° |
| H32 | C3 | C4 | H42 | 177.3° | 65.0° |
| O4 | C4 | H41 | H42 | 115.8° | 120.0° |
| H41 | C4 | O4 | HO4 | 58.7° | 60.0° |
| H42 | C4 | O4 | HO4 | 58.6° | 60.0° |
