1BO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | OH | sing | 1.43Å | 1.43Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| OH | HO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.3° | 109.6° |
| C2 | C1 | H12 | 112.2° | 109.5° |
| C2 | C1 | H13 | 112.2° | 109.5° |
| C1 | C2 | C3 | 109.3° | 109.5° |
| C1 | C2 | H21 | 112.3° | 109.5° |
| C1 | C2 | H22 | 112.3° | 109.5° |
| H11 | C1 | H12 | 112.3° | 109.4° |
| H11 | C1 | H13 | 112.3° | 109.4° |
| H12 | C1 | H13 | 98.2° | 109.4° |
| C3 | C2 | H21 | 112.2° | 109.4° |
| C3 | C2 | H22 | 112.2° | 109.4° |
| C2 | C3 | C4 | 109.5° | 109.5° |
| C2 | C3 | H31 | 112.2° | 109.4° |
| C2 | C3 | H32 | 112.2° | 109.4° |
| H21 | C2 | H22 | 98.2° | 109.5° |
| C4 | C3 | H31 | 112.2° | 109.5° |
| C4 | C3 | H32 | 112.2° | 109.5° |
| C3 | C4 | OH | 109.8° | 109.5° |
| C3 | C4 | H41 | 112.1° | 109.5° |
| C3 | C4 | H42 | 112.1° | 109.5° |
| H31 | C3 | H32 | 98.2° | 109.5° |
| OH | C4 | H41 | 112.1° | 109.4° |
| OH | C4 | H42 | 112.1° | 109.4° |
| C4 | OH | HO | 109.9° | 106.9° |
| H41 | C4 | H42 | 98.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 125.2° | 120.1° |
| C2 | C1 | H11 | H13 | 125.2° | 120.1° |
| C2 | C1 | H12 | H13 | 118.1° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 118.2° | 120.0° |
| C1 | C2 | C3 | C4 | 169.0° | 180.0° |
| C1 | C2 | C3 | H31 | 43.8° | 60.0° |
| C1 | C2 | C3 | H32 | 65.7° | 60.0° |
| H11 | C1 | H12 | H13 | 118.3° | 119.9° |
| H11 | C1 | C2 | C3 | 180.0° | 180.0° |
| H11 | C1 | C2 | H21 | 54.7° | 60.0° |
| H11 | C1 | C2 | H22 | 54.8° | 60.0° |
| H12 | C1 | C2 | C3 | 54.7° | 60.0° |
| H12 | C1 | C2 | H21 | 70.5° | 60.0° |
| H12 | C1 | C2 | H22 | 180.0° | 180.0° |
| H13 | C1 | C2 | C3 | 54.7° | 60.0° |
| H13 | C1 | C2 | H21 | 180.0° | 180.0° |
| H13 | C1 | C2 | H22 | 70.5° | 60.0° |
| C3 | C2 | H21 | H22 | 118.1° | 119.9° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 118.2° | 119.9° |
| C2 | C3 | C4 | OH | 93.6° | 180.0° |
| C2 | C3 | C4 | H41 | 31.7° | 60.0° |
| C2 | C3 | C4 | H42 | 141.2° | 60.0° |
| H21 | C2 | C3 | C4 | 65.7° | 60.0° |
| H21 | C2 | C3 | H31 | 169.1° | 180.0° |
| H21 | C2 | C3 | H32 | 59.6° | 60.0° |
| H22 | C2 | C3 | C4 | 43.8° | 60.0° |
| H22 | C2 | C3 | H31 | 81.5° | 60.0° |
| H22 | C2 | C3 | H32 | 169.0° | 180.0° |
| C4 | C3 | H31 | H32 | 118.1° | 120.0° |
| C3 | C4 | OH | H41 | 125.3° | 120.1° |
| C3 | C4 | OH | H42 | 125.3° | 120.1° |
| C3 | C4 | H41 | H42 | 118.0° | 120.0° |
| C3 | C4 | OH | HO | 180.0° | 180.0° |
| H31 | C3 | C4 | OH | 141.2° | 60.0° |
| H31 | C3 | C4 | H41 | 93.6° | 180.0° |
| H31 | C3 | C4 | H42 | 15.9° | 60.0° |
| H32 | C3 | C4 | OH | 31.7° | 60.0° |
| H32 | C3 | C4 | H41 | 157.0° | 60.0° |
| H32 | C3 | C4 | H42 | 93.5° | 180.0° |
| OH | C4 | H41 | H42 | 118.0° | 119.9° |
| H41 | C4 | OH | HO | 54.7° | 59.9° |
| H42 | C4 | OH | HO | 54.7° | 59.9° |
