HIU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.34Å | 1.24Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | O2 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.58Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | O3 | sing | 1.43Å | 1.06Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 109.5° | 120.0° |
| O1 | C1 | O2 | 115.5° | 120.0° |
| O1 | C1 | C2 | 121.2° | 120.0° |
| O2 | C1 | C2 | 123.3° | 120.0° |
| C1 | C2 | C3 | 110.3° | 109.5° |
| C1 | C2 | C4 | 108.3° | 109.5° |
| C1 | C2 | H2 | 110.5° | 109.5° |
| C3 | C2 | C4 | 111.6° | 109.5° |
| C3 | C2 | H2 | 107.0° | 109.5° |
| C2 | C3 | H31 | 109.4° | 109.5° |
| C2 | C3 | H32 | 109.5° | 109.5° |
| C2 | C3 | H33 | 109.5° | 109.5° |
| C4 | C2 | H2 | 109.1° | 109.5° |
| C2 | C4 | O3 | 126.7° | 109.5° |
| C2 | C4 | H41 | 100.0° | 109.4° |
| C2 | C4 | H42 | 104.1° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| H31 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.4° |
| O3 | C4 | H41 | 100.0° | 109.5° |
| O3 | C4 | H42 | 104.1° | 109.5° |
| C4 | O3 | HO3 | 109.5° | 106.8° |
| H41 | C4 | H42 | 124.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 178.7° | 180.0° |
| O1 | C1 | C2 | C3 | 152.8° | 60.0° |
| O1 | C1 | C2 | C4 | 84.8° | 180.0° |
| O1 | C1 | C2 | H2 | 34.7° | 60.0° |
| HO1 | O1 | C1 | O2 | 0.0° | 0.0° |
| HO1 | O1 | C1 | C2 | 178.7° | 180.0° |
| O2 | C1 | C2 | C3 | 28.5° | 120.0° |
| O2 | C1 | C2 | C4 | 93.9° | 0.0° |
| O2 | C1 | C2 | H2 | 146.7° | 120.0° |
| C1 | C2 | C3 | C4 | 120.4° | 120.0° |
| C1 | C2 | C3 | H2 | 120.2° | 120.0° |
| C1 | C2 | C4 | H2 | 120.3° | 120.0° |
| C1 | C2 | C3 | H31 | 62.8° | 60.0° |
| C1 | C2 | C3 | H32 | 57.2° | 180.0° |
| C1 | C2 | C3 | H33 | 177.2° | 60.0° |
| C1 | C2 | C4 | O3 | 35.0° | 175.0° |
| C1 | C2 | C4 | H41 | 75.7° | 55.0° |
| C1 | C2 | C4 | H42 | 155.0° | 65.0° |
| C3 | C2 | C4 | H2 | 118.1° | 120.0° |
| C2 | C3 | H31 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H33 | 120.0° | 120.1° |
| C2 | C3 | H32 | H33 | 120.0° | 120.1° |
| C3 | C2 | C4 | O3 | 86.6° | 65.0° |
| C3 | C2 | C4 | H41 | 162.7° | 175.0° |
| C3 | C2 | C4 | H42 | 33.4° | 55.0° |
| C4 | C2 | C3 | H31 | 176.8° | 180.0° |
| C4 | C2 | C3 | H32 | 63.2° | 60.0° |
| C4 | C2 | C3 | H33 | 56.8° | 60.0° |
| C2 | C4 | O3 | H41 | 110.6° | 120.0° |
| C2 | C4 | O3 | H42 | 120.0° | 120.0° |
| C2 | C4 | H41 | H42 | 114.8° | 120.0° |
| C2 | C4 | O3 | HO3 | 150.0° | 180.0° |
| H2 | C2 | C3 | H31 | 57.4° | 60.0° |
| H2 | C2 | C3 | H32 | 177.5° | 60.0° |
| H2 | C2 | C3 | H33 | 62.5° | 180.0° |
| H2 | C2 | C4 | O3 | 155.3° | 55.0° |
| H2 | C2 | C4 | H41 | 44.6° | 65.0° |
| H2 | C2 | C4 | H42 | 84.7° | 175.0° |
| H31 | C3 | H32 | H33 | 120.0° | 119.9° |
| O3 | C4 | H41 | H42 | 114.8° | 120.0° |
| H41 | C4 | O3 | HO3 | 39.3° | 60.0° |
| H42 | C4 | O3 | HO3 | 90.0° | 60.0° |
