HEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 109.5° | 106.9° |
| O1 | C1 | C2 | 109.5° | 109.5° |
| O1 | C1 | H11 | 112.3° | 109.4° |
| O1 | C1 | H12 | 112.2° | 109.4° |
| C2 | C1 | H11 | 112.1° | 109.5° |
| C2 | C1 | H12 | 112.2° | 109.5° |
| C1 | C2 | C3 | 110.1° | 109.5° |
| C1 | C2 | H21 | 112.0° | 109.5° |
| C1 | C2 | H22 | 112.0° | 109.5° |
| H11 | C1 | H12 | 98.2° | 109.5° |
| C3 | C2 | H21 | 111.9° | 109.4° |
| C3 | C2 | H22 | 112.0° | 109.4° |
| C2 | C3 | C4 | 147.1° | 109.5° |
| C2 | C3 | H31 | 99.7° | 109.4° |
| C2 | C3 | H32 | 99.7° | 109.4° |
| H21 | C2 | H22 | 98.4° | 109.5° |
| C4 | C3 | H31 | 99.7° | 109.5° |
| C4 | C3 | H32 | 99.7° | 109.5° |
| C3 | C4 | C5 | 110.6° | 109.5° |
| C3 | C4 | H41 | 111.8° | 109.5° |
| C3 | C4 | H42 | 111.8° | 109.5° |
| H31 | C3 | H32 | 107.1° | 109.5° |
| C5 | C4 | H41 | 111.7° | 109.4° |
| C5 | C4 | H42 | 111.8° | 109.4° |
| C4 | C5 | C6 | 109.8° | 109.5° |
| C4 | C5 | H51 | 112.1° | 109.4° |
| C4 | C5 | H52 | 112.1° | 109.4° |
| H41 | C4 | H42 | 98.7° | 109.5° |
| C6 | C5 | H51 | 112.1° | 109.5° |
| C6 | C5 | H52 | 112.1° | 109.5° |
| C5 | C6 | O6 | 163.1° | 109.5° |
| C5 | C6 | H61 | 94.9° | 109.5° |
| C5 | C6 | H62 | 94.9° | 109.5° |
| H51 | C5 | H52 | 98.3° | 109.5° |
| O6 | C6 | H61 | 94.9° | 109.4° |
| O6 | C6 | H62 | 94.9° | 109.4° |
| C6 | O6 | HO6 | 163.0° | 106.9° |
| H61 | C6 | H62 | 108.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H11 | 125.3° | 120.0° |
| O1 | C1 | C2 | H12 | 125.3° | 120.0° |
| O1 | C1 | H11 | H12 | 118.2° | 119.9° |
| O1 | C1 | C2 | C3 | 152.0° | 180.0° |
| O1 | C1 | C2 | H21 | 82.8° | 60.0° |
| O1 | C1 | C2 | H22 | 26.7° | 60.0° |
| HO1 | O1 | C1 | C2 | 180.0° | 180.0° |
| HO1 | O1 | C1 | H11 | 54.8° | 60.0° |
| HO1 | O1 | C1 | H12 | 54.8° | 60.0° |
| C2 | C1 | H11 | H12 | 118.0° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 117.9° | 120.0° |
| C1 | C2 | C3 | C4 | 49.2° | 180.0° |
| C1 | C2 | C3 | H31 | 76.2° | 60.0° |
| C1 | C2 | C3 | H32 | 174.4° | 60.0° |
| H11 | C1 | C2 | C3 | 26.7° | 60.0° |
| H11 | C1 | C2 | H21 | 152.0° | 180.0° |
| H11 | C1 | C2 | H22 | 98.6° | 60.0° |
| H12 | C1 | C2 | C3 | 82.7° | 60.0° |
| H12 | C1 | C2 | H21 | 42.5° | 60.0° |
| H12 | C1 | C2 | H22 | 152.0° | 180.0° |
| C3 | C2 | H21 | H22 | 117.9° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 103.4° | 120.0° |
| C2 | C3 | C4 | C5 | 84.2° | 180.0° |
| C2 | C3 | C4 | H41 | 41.0° | 60.0° |
| C2 | C3 | C4 | H42 | 150.6° | 60.0° |
| H21 | C2 | C3 | C4 | 174.4° | 60.0° |
| H21 | C2 | C3 | H31 | 49.1° | NaN° |
| H21 | C2 | C3 | H32 | 60.3° | 60.0° |
| H22 | C2 | C3 | C4 | 76.2° | 60.0° |
| H22 | C2 | C3 | H31 | 158.5° | 60.0° |
| H22 | C2 | C3 | H32 | 49.1° | NaN° |
| C4 | C3 | H31 | H32 | 103.4° | 120.0° |
| C3 | C4 | C5 | H41 | 125.2° | 120.0° |
| C3 | C4 | C5 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H42 | 117.7° | 120.0° |
| C3 | C4 | C5 | C6 | 121.4° | 180.0° |
| C3 | C4 | C5 | H51 | 3.9° | 60.0° |
| C3 | C4 | C5 | H52 | 113.4° | 60.0° |
| H31 | C3 | C4 | C5 | 150.5° | 60.0° |
| H31 | C3 | C4 | H41 | 84.3° | NaN° |
| H31 | C3 | C4 | H42 | 25.3° | 60.0° |
| H32 | C3 | C4 | C5 | 41.1° | 60.0° |
| H32 | C3 | C4 | H41 | 166.3° | 60.0° |
| H32 | C3 | C4 | H42 | 84.2° | NaN° |
| C5 | C4 | H41 | H42 | 117.7° | 120.0° |
| C4 | C5 | C6 | H51 | 125.2° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 118.1° | 120.0° |
| C4 | C5 | C6 | O6 | 102.3° | 180.0° |
| C4 | C5 | C6 | H61 | 23.0° | 60.0° |
| C4 | C5 | C6 | H62 | 132.5° | 60.0° |
| H41 | C4 | C5 | C6 | 113.4° | 60.0° |
| H41 | C4 | C5 | H51 | 121.4° | NaN° |
| H41 | C4 | C5 | H52 | 11.9° | 60.0° |
| H42 | C4 | C5 | C6 | 3.9° | 60.0° |
| H42 | C4 | C5 | H51 | 129.1° | 60.0° |
| H42 | C4 | C5 | H52 | 121.4° | NaN° |
| C6 | C5 | H51 | H52 | 118.0° | 120.0° |
| C5 | C6 | O6 | H61 | 125.3° | 120.0° |
| C5 | C6 | O6 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 96.9° | 120.0° |
| C5 | C6 | O6 | HO6 | 179.8° | 180.0° |
| H51 | C5 | C6 | O6 | 132.5° | 60.0° |
| H51 | C5 | C6 | H61 | 102.2° | 180.0° |
| H51 | C5 | C6 | H62 | 7.2° | 60.0° |
| H52 | C5 | C6 | O6 | 23.0° | 60.0° |
| H52 | C5 | C6 | H61 | 148.3° | 60.0° |
| H52 | C5 | C6 | H62 | 102.2° | 180.0° |
| O6 | C6 | H61 | H62 | 96.9° | 119.9° |
| H61 | C6 | O6 | HO6 | 54.9° | 60.0° |
| H62 | C6 | O6 | HO6 | 54.6° | 60.0° |
