SHF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C4 | O4 | doub | 1.21Å | 1.30Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | OH1 | sing | 1.34Å | 1.25Å | |
| OH1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 118.9° | 119.9° |
| C5 | C4 | O4 | 120.5° | 120.0° |
| C4 | C5 | H51 | 109.5° | 109.5° |
| C4 | C5 | H52 | 109.5° | 109.4° |
| C4 | C5 | H53 | 109.5° | 109.4° |
| C3 | C4 | O4 | 120.6° | 120.1° |
| C4 | C3 | C2 | 111.8° | 109.4° |
| C4 | C3 | H31 | 108.9° | 109.5° |
| C4 | C3 | H32 | 108.9° | 109.5° |
| H51 | C5 | H52 | 109.4° | 109.5° |
| H51 | C5 | H53 | 109.5° | 109.5° |
| H52 | C5 | H53 | 109.5° | 109.5° |
| C2 | C3 | H31 | 108.9° | 109.5° |
| C2 | C3 | H32 | 108.9° | 109.5° |
| C3 | C2 | C1 | 113.0° | 109.5° |
| C3 | C2 | H21 | 108.6° | 109.5° |
| C3 | C2 | H22 | 108.6° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| C1 | C2 | H21 | 108.6° | 109.5° |
| C1 | C2 | H22 | 108.6° | 109.4° |
| C2 | C1 | O1 | 119.8° | 120.0° |
| C2 | C1 | OH1 | 116.9° | 120.0° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| O1 | C1 | OH1 | 123.2° | 120.0° |
| C1 | OH1 | HO1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | O4 | 179.5° | 179.8° |
| C4 | C5 | H51 | H52 | 120.0° | 119.9° |
| C4 | C5 | H51 | H53 | 120.0° | 120.0° |
| C4 | C5 | H52 | H53 | 120.0° | 119.9° |
| C5 | C4 | C3 | C2 | 97.3° | 180.0° |
| C5 | C4 | C3 | H31 | 142.3° | 60.0° |
| C5 | C4 | C3 | H32 | 23.0° | 60.1° |
| C3 | C4 | C5 | H51 | 179.5° | 60.0° |
| C3 | C4 | C5 | H52 | 60.5° | 180.0° |
| C3 | C4 | C5 | H53 | 59.4° | 60.0° |
| C4 | C3 | C2 | H31 | 120.3° | 120.0° |
| C4 | C3 | C2 | H32 | 120.4° | 120.0° |
| C4 | C3 | H31 | H32 | 118.9° | 120.0° |
| C4 | C3 | C2 | C1 | 171.6° | 180.0° |
| C4 | C3 | C2 | H21 | 67.9° | 60.0° |
| C4 | C3 | C2 | H22 | 51.1° | 60.0° |
| O4 | C4 | C5 | H51 | 0.0° | 120.2° |
| O4 | C4 | C5 | H52 | 120.0° | 0.2° |
| O4 | C4 | C5 | H53 | 120.0° | 119.8° |
| O4 | C4 | C3 | C2 | 83.2° | 0.2° |
| O4 | C4 | C3 | H31 | 37.1° | 120.2° |
| O4 | C4 | C3 | H32 | 156.4° | 119.7° |
| H51 | C5 | H52 | H53 | 120.0° | 120.1° |
| C2 | C3 | H31 | H32 | 118.9° | 120.0° |
| C3 | C2 | C1 | H21 | 120.5° | 120.0° |
| C3 | C2 | C1 | H22 | 120.5° | 120.0° |
| C3 | C2 | H21 | H22 | 118.4° | 120.0° |
| C3 | C2 | C1 | O1 | 17.8° | 0.0° |
| C3 | C2 | C1 | OH1 | 162.2° | 180.0° |
| H31 | C3 | C2 | C1 | 51.3° | 60.0° |
| H31 | C3 | C2 | H21 | 171.8° | 180.0° |
| H31 | C3 | C2 | H22 | 69.3° | 59.9° |
| H32 | C3 | C2 | C1 | 68.0° | 60.0° |
| H32 | C3 | C2 | H21 | 52.5° | 60.0° |
| H32 | C3 | C2 | H22 | 171.4° | 180.0° |
| C1 | C2 | H21 | H22 | 118.4° | 120.0° |
| C2 | C1 | O1 | OH1 | 180.0° | 180.0° |
| C2 | C1 | OH1 | HO1 | 180.0° | 180.0° |
| H21 | C2 | C1 | O1 | 102.7° | 120.0° |
| H21 | C2 | C1 | OH1 | 77.3° | 60.0° |
| H22 | C2 | C1 | O1 | 138.3° | 120.0° |
| H22 | C2 | C1 | OH1 | 41.7° | 60.0° |
| O1 | C1 | OH1 | HO1 | 0.0° | 0.0° |
