3HO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | O2 | sing | 1.34Å | 1.24Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O3 | C3 | sing | 1.43Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 117.2° | 120.1° |
| O1 | C1 | O2 | 119.8° | 120.0° |
| C2 | C1 | O2 | 123.0° | 120.0° |
| C1 | C2 | C3 | 109.8° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H2A | 109.3° | 109.5° |
| C1 | O2 | HO2 | 109.5° | 117.0° |
| C3 | C2 | H2 | 109.3° | 109.5° |
| C3 | C2 | H2A | 109.3° | 109.4° |
| C2 | C3 | O3 | 105.7° | 109.4° |
| C2 | C3 | C4 | 108.3° | 109.5° |
| C2 | C3 | H3 | 113.4° | 109.4° |
| H2 | C2 | H2A | 109.7° | 109.4° |
| O3 | C3 | C4 | 111.8° | 109.5° |
| O3 | C3 | H3 | 110.1° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 107.6° | 109.5° |
| C3 | C4 | C5 | 112.0° | 109.5° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| C3 | C4 | H4A | 108.1° | 109.5° |
| C5 | C4 | H4 | 108.6° | 109.5° |
| C5 | C4 | H4A | 108.1° | 109.5° |
| C4 | C5 | C6 | 110.2° | 109.4° |
| C4 | C5 | H5 | 109.2° | 109.5° |
| C4 | C5 | H5A | 109.0° | 109.5° |
| H4 | C4 | H4A | 111.4° | 109.5° |
| C6 | C5 | H5 | 109.2° | 109.5° |
| C6 | C5 | H5A | 109.0° | 109.5° |
| C5 | C6 | C7 | 109.4° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H6A | 109.5° | 109.5° |
| H5 | C5 | H5A | 110.1° | 109.5° |
| C7 | C6 | H6 | 109.5° | 109.4° |
| C7 | C6 | H6A | 109.5° | 109.4° |
| C6 | C7 | C8 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H7A | 109.5° | 109.5° |
| H6 | C6 | H6A | 109.4° | 109.5° |
| C8 | C7 | H7 | 109.5° | 109.4° |
| C8 | C7 | H7A | 109.5° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.4° |
| C7 | C8 | H8A | 109.5° | 109.5° |
| C7 | C8 | H8B | 109.5° | 109.5° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.4° | 109.4° |
| H8A | C8 | H8B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O2 | 179.7° | 179.6° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.1° |
| O1 | C1 | C2 | C3 | 106.6° | 0.0° |
| O1 | C1 | C2 | H2 | 133.4° | 120.0° |
| O1 | C1 | C2 | H2A | 13.3° | 119.9° |
| C2 | C1 | O2 | HO2 | 179.6° | 179.7° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 119.9° | 120.0° |
| C1 | C2 | H2 | H2A | 119.9° | 120.1° |
| C1 | C2 | C3 | O3 | 150.8° | 65.0° |
| C1 | C2 | C3 | C4 | 89.3° | 175.0° |
| C1 | C2 | C3 | H3 | 30.1° | 55.0° |
| O2 | C1 | C2 | C3 | 73.8° | 179.7° |
| O2 | C1 | C2 | H2 | 46.2° | 60.3° |
| O2 | C1 | C2 | H2A | 166.4° | 59.7° |
| C3 | C2 | H2 | H2A | 119.8° | 119.9° |
| C2 | C3 | O3 | C4 | 117.6° | 120.0° |
| C2 | C3 | O3 | H3 | 122.9° | 119.9° |
| C2 | C3 | C4 | H3 | 123.0° | 120.0° |
| C2 | C3 | O3 | HO3 | 65.9° | 60.0° |
| C2 | C3 | C4 | C5 | 171.7° | 175.0° |
| C2 | C3 | C4 | H4 | 51.7° | 65.0° |
| C2 | C3 | C4 | H4A | 69.4° | 55.0° |
| H2 | C2 | C3 | O3 | 30.8° | 55.0° |
| H2 | C2 | C3 | C4 | 150.7° | 65.0° |
| H2 | C2 | C3 | H3 | 89.9° | 175.0° |
| H2A | C2 | C3 | O3 | 89.4° | 175.0° |
| H2A | C2 | C3 | C4 | 30.6° | 55.0° |
| H2A | C2 | C3 | H3 | 149.9° | 65.1° |
| O3 | C3 | C4 | H3 | 121.0° | 120.0° |
| O3 | C3 | C4 | C5 | 55.6° | 65.0° |
| O3 | C3 | C4 | H4 | 64.4° | 55.0° |
| O3 | C3 | C4 | H4A | 174.5° | 175.0° |
| C4 | C3 | O3 | HO3 | 51.7° | 60.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 119.0° | 120.0° |
| C3 | C4 | H4 | H4A | 119.0° | 120.0° |
| C3 | C4 | C5 | C6 | 179.9° | 180.0° |
| C3 | C4 | C5 | H5 | 59.8° | 60.0° |
| C3 | C4 | C5 | H5A | 60.5° | 60.0° |
| H3 | C3 | O3 | HO3 | 171.2° | 180.0° |
| H3 | C3 | C4 | C5 | 65.4° | 55.0° |
| H3 | C3 | C4 | H4 | 174.6° | 175.0° |
| H3 | C3 | C4 | H4A | 53.6° | 65.0° |
| C5 | C4 | H4 | H4A | 118.9° | 120.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 119.7° | 120.0° |
| C4 | C5 | H5 | H5A | 119.7° | 120.0° |
| C4 | C5 | C6 | C7 | 179.6° | 180.0° |
| C4 | C5 | C6 | H6 | 59.6° | 60.0° |
| C4 | C5 | C6 | H6A | 60.3° | 60.0° |
| H4 | C4 | C5 | C6 | 60.1° | 60.0° |
| H4 | C4 | C5 | H5 | 179.9° | 180.0° |
| H4 | C4 | C5 | H5A | 59.5° | 60.0° |
| H4A | C4 | C5 | C6 | 60.9° | 60.0° |
| H4A | C4 | C5 | H5 | 59.1° | 60.0° |
| H4A | C4 | C5 | H5A | 179.4° | 180.0° |
| C6 | C5 | H5 | H5A | 119.7° | 120.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 120.0° | 120.0° |
| C5 | C6 | H6 | H6A | 120.0° | 120.1° |
| C5 | C6 | C7 | C8 | 179.6° | 180.0° |
| C5 | C6 | C7 | H7 | 60.4° | 60.0° |
| C5 | C6 | C7 | H7A | 59.7° | 60.0° |
| H5 | C5 | C6 | C7 | 60.4° | 60.0° |
| H5 | C5 | C6 | H6 | 179.6° | 180.0° |
| H5 | C5 | C6 | H6A | 59.7° | 59.9° |
| H5A | C5 | C6 | C7 | 59.9° | 60.0° |
| H5A | C5 | C6 | H6 | 60.0° | 60.0° |
| H5A | C5 | C6 | H6A | 180.0° | 179.9° |
| C7 | C6 | H6 | H6A | 120.1° | 119.9° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 120.0° | 120.1° |
| C6 | C7 | H7 | H7A | 120.0° | 120.0° |
| C6 | C7 | C8 | H8 | 103.4° | 60.0° |
| C6 | C7 | C8 | H8A | 136.6° | 59.9° |
| C6 | C7 | C8 | H8B | 16.5° | 180.0° |
| H6 | C6 | C7 | C8 | 59.7° | 60.0° |
| H6 | C6 | C7 | H7 | 179.7° | 180.0° |
| H6 | C6 | C7 | H7A | 60.3° | 60.1° |
| H6A | C6 | C7 | C8 | 60.3° | 59.9° |
| H6A | C6 | C7 | H7 | 59.7° | 60.0° |
| H6A | C6 | C7 | H7A | 179.7° | 180.0° |
| C8 | C7 | H7 | H7A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8B | 120.0° | 120.0° |
| C7 | C8 | H8A | H8B | 120.0° | 120.1° |
| H7 | C7 | C8 | H8 | 16.6° | 180.0° |
| H7 | C7 | C8 | H8A | 103.4° | 60.0° |
| H7 | C7 | C8 | H8B | 136.6° | 60.1° |
| H7A | C7 | C8 | H8 | 136.6° | 60.0° |
| H7A | C7 | C8 | H8A | 16.6° | 180.0° |
| H7A | C7 | C8 | H8B | 103.4° | 59.9° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
