HBR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | O7 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | H41 | 109.5° | 109.5° |
| C3 | C4 | H42 | 109.4° | 109.5° |
| C3 | C4 | H43 | 109.4° | 109.5° |
| C4 | C3 | O7 | 107.8° | 109.4° |
| C4 | C3 | C2 | 112.5° | 109.5° |
| C4 | C3 | H3 | 109.0° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| H41 | C4 | H43 | 109.5° | 109.5° |
| H42 | C4 | H43 | 109.5° | 109.5° |
| O7 | C3 | C2 | 110.5° | 109.5° |
| O7 | C3 | H3 | 111.0° | 109.5° |
| C3 | O7 | HO7 | 109.5° | 114.0° |
| C2 | C3 | H3 | 106.2° | 109.5° |
| C3 | C2 | C1 | 118.4° | 119.9° |
| C3 | C2 | O2 | 121.2° | 120.0° |
| C1 | C2 | O2 | 120.4° | 120.0° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.4° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | H41 | H42 | 120.0° | 120.0° |
| C3 | C4 | H41 | H43 | 120.0° | 120.0° |
| C3 | C4 | H42 | H43 | 120.0° | 120.0° |
| C4 | C3 | O7 | C2 | 123.2° | 120.0° |
| C4 | C3 | O7 | H3 | 119.2° | 120.0° |
| C4 | C3 | C2 | H3 | 119.1° | 120.0° |
| C4 | C3 | O7 | HO7 | 106.3° | 60.0° |
| C4 | C3 | C2 | C1 | 101.6° | 80.0° |
| C4 | C3 | C2 | O2 | 79.0° | 100.0° |
| H41 | C4 | H42 | H43 | 120.0° | 120.0° |
| H41 | C4 | C3 | O7 | 180.0° | 60.0° |
| H41 | C4 | C3 | C2 | 58.0° | 179.9° |
| H41 | C4 | C3 | H3 | 59.5° | 60.0° |
| H42 | C4 | C3 | O7 | 60.0° | 180.0° |
| H42 | C4 | C3 | C2 | 62.0° | 60.0° |
| H42 | C4 | C3 | H3 | 179.4° | 60.0° |
| H43 | C4 | C3 | O7 | 60.0° | 60.0° |
| H43 | C4 | C3 | C2 | 178.0° | 60.0° |
| H43 | C4 | C3 | H3 | 60.5° | 180.0° |
| O7 | C3 | C2 | H3 | 120.4° | 120.0° |
| O7 | C3 | C2 | C1 | 137.9° | 160.0° |
| O7 | C3 | C2 | O2 | 41.4° | 20.0° |
| C2 | C3 | O7 | HO7 | 16.9° | 180.0° |
| C3 | C2 | C1 | O2 | 179.4° | 180.0° |
| C3 | C2 | C1 | H11 | 179.4° | 0.0° |
| C3 | C2 | C1 | H12 | 60.6° | 120.0° |
| C3 | C2 | C1 | H13 | 59.4° | 120.0° |
| H3 | C3 | O7 | HO7 | 134.4° | 60.0° |
| H3 | C3 | C2 | C1 | 17.5° | 40.0° |
| H3 | C3 | C2 | O2 | 161.9° | 140.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| O2 | C2 | C1 | H11 | 0.0° | 180.0° |
| O2 | C2 | C1 | H12 | 120.0° | 60.0° |
| O2 | C2 | C1 | H13 | 120.0° | 60.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
