Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.29Å | |
| C1 | O2 | sing | 1.34Å | 1.29Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | OH | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| OH | HO | sing | 0.97Å | 0.95Å | |
| C3 | OPC | sing | 1.43Å | 1.44Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| OPC | PC | sing | 1.61Å | 1.60Å | |
| PC | OC1 | doub | 1.48Å | 1.48Å | |
| PC | OC2 | sing | 1.61Å | 1.48Å | |
| PC | OC3 | sing | 1.61Å | 1.48Å | |
| OC2 | HOC2 | sing | 0.97Å | 0.95Å | |
| OC3 | HOC3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 120.0° | 119.9° |
| O1 | C1 | C2 | 119.9° | 120.1° |
| O2 | C1 | C2 | 120.1° | 120.0° |
| C1 | O2 | HO2 | 120.0° | 120.0° |
| C1 | C2 | OH | 110.0° | 109.5° |
| C1 | C2 | C3 | 109.9° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.4° |
| OH | C2 | C3 | 109.4° | 109.5° |
| OH | C2 | H2 | 109.3° | 109.5° |
| C2 | OH | HO | 110.0° | 106.8° |
| C3 | C2 | H2 | 109.4° | 109.5° |
| C2 | C3 | OPC | 111.2° | 109.5° |
| C2 | C3 | H31 | 111.6° | 109.4° |
| C2 | C3 | H32 | 111.6° | 109.5° |
| OPC | C3 | H31 | 111.6° | 109.5° |
| OPC | C3 | H32 | 111.5° | 109.5° |
| C3 | OPC | PC | 119.4° | 106.8° |
| H31 | C3 | H32 | 98.8° | 109.5° |
| OPC | PC | OC1 | 110.0° | 109.5° |
| OPC | PC | OC2 | 109.9° | 109.6° |
| OPC | PC | OC3 | 110.1° | 109.5° |
| OC1 | PC | OC2 | 108.9° | 109.4° |
| OC1 | PC | OC3 | 109.0° | 109.4° |
| OC2 | PC | OC3 | 108.9° | 109.5° |
| PC | OC2 | HOC2 | 109.9° | 106.9° |
| PC | OC3 | HOC3 | 110.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 180.0° | 180.0° |
| O1 | C1 | O2 | HO2 | 180.0° | 0.1° |
| O1 | C1 | C2 | OH | 97.8° | 0.0° |
| O1 | C1 | C2 | C3 | 22.7° | 120.0° |
| O1 | C1 | C2 | H2 | 142.5° | 120.0° |
| O2 | C1 | C2 | OH | 82.1° | 180.0° |
| O2 | C1 | C2 | C3 | 157.3° | 60.0° |
| O2 | C1 | C2 | H2 | 37.6° | 60.1° |
| C2 | C1 | O2 | HO2 | 0.1° | 179.9° |
| C1 | C2 | OH | C3 | 120.9° | 120.0° |
| C1 | C2 | OH | H2 | 119.4° | 120.0° |
| C1 | C2 | C3 | H2 | 119.4° | 120.0° |
| C1 | C2 | OH | HO | 179.9° | 60.0° |
| C1 | C2 | C3 | OPC | 64.8° | 180.0° |
| C1 | C2 | C3 | H31 | 169.9° | 60.0° |
| C1 | C2 | C3 | H32 | 60.4° | 60.0° |
| OH | C2 | C3 | H2 | 119.7° | 120.0° |
| OH | C2 | C3 | OPC | 56.1° | 60.0° |
| OH | C2 | C3 | H31 | 69.2° | 180.0° |
| OH | C2 | C3 | H32 | 178.7° | 60.0° |
| C3 | C2 | OH | HO | 59.1° | 60.0° |
| C2 | C3 | OPC | H31 | 125.3° | 119.9° |
| C2 | C3 | OPC | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 117.5° | 120.0° |
| C2 | C3 | OPC | PC | 165.8° | 180.0° |
| H2 | C2 | OH | HO | 60.7° | 180.0° |
| H2 | C2 | C3 | OPC | 175.8° | 60.0° |
| H2 | C2 | C3 | H31 | 50.5° | 60.0° |
| H2 | C2 | C3 | H32 | 59.0° | 180.0° |
| OPC | C3 | H31 | H32 | 117.4° | 120.1° |
| C3 | OPC | PC | OC1 | 88.5° | 59.9° |
| C3 | OPC | PC | OC2 | 31.4° | 179.9° |
| C3 | OPC | PC | OC3 | 151.4° | 60.0° |
| H31 | C3 | OPC | PC | 40.5° | 60.0° |
| H32 | C3 | OPC | PC | 68.9° | 60.0° |
| OPC | PC | OC1 | OC2 | 120.6° | 120.1° |
| OPC | PC | OC1 | OC3 | 120.7° | 119.9° |
| OPC | PC | OC2 | OC3 | 120.7° | 120.1° |
| OPC | PC | OC2 | HOC2 | 180.0° | 180.0° |
| OPC | PC | OC3 | HOC3 | 180.0° | 60.1° |
| OC1 | PC | OC2 | OC3 | 118.7° | 119.9° |
| OC1 | PC | OC2 | HOC2 | 59.4° | 59.9° |
| OC1 | PC | OC3 | HOC3 | 59.2° | 179.9° |
| OC2 | PC | OC3 | HOC3 | 59.4° | 60.0° |
| OC3 | PC | OC2 | HOC2 | 59.3° | 59.9° |
