48J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C04 | sing | 1.43Å | 1.38Å | |
| C04 | O06 | sing | 1.43Å | 1.40Å | |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| O01 | C02 | doub | 1.21Å | 1.26Å | |
| C02 | O03 | sing | 1.34Å | 1.25Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| O05 | H2 | sing | 0.97Å | 0.95Å | |
| O06 | H3 | sing | 0.97Å | 0.95Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C04 | O06 | 114.6° | 109.5° |
| O05 | C04 | C02 | 108.4° | 109.5° |
| C04 | O05 | H2 | 109.5° | 114.0° |
| O05 | C04 | H4 | 107.6° | 109.4° |
| O06 | C04 | C02 | 112.6° | 109.4° |
| C04 | O06 | H3 | 109.5° | 114.0° |
| O06 | C04 | H4 | 107.4° | 109.5° |
| C04 | C02 | O01 | 120.5° | 120.0° |
| C04 | C02 | O03 | 120.4° | 120.0° |
| C02 | C04 | H4 | 105.8° | 109.5° |
| O01 | C02 | O03 | 119.1° | 120.0° |
| C02 | O03 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C04 | O06 | C02 | 124.5° | 120.0° |
| O05 | C04 | O06 | H4 | 119.5° | 120.0° |
| O05 | C04 | C02 | H4 | 115.1° | 120.0° |
| O05 | C04 | C02 | O01 | 1.7° | 30.3° |
| O05 | C04 | C02 | O03 | 179.4° | 150.0° |
| O05 | C04 | O06 | H3 | 180.0° | 59.9° |
| O06 | C04 | C02 | H4 | 116.9° | 120.0° |
| O06 | C04 | C02 | O01 | 129.6° | 150.3° |
| O06 | C04 | C02 | O03 | 51.5° | 30.0° |
| O06 | C04 | O05 | H2 | 127.5° | 60.1° |
| C04 | C02 | O01 | O03 | 178.9° | 179.7° |
| C04 | C02 | O03 | H1 | 178.9° | 180.0° |
| C02 | C04 | O05 | H2 | 0.8° | 180.0° |
| C02 | C04 | O06 | H3 | 55.5° | 60.0° |
| O01 | C02 | O03 | H1 | 0.0° | 0.3° |
| O01 | C02 | C04 | H4 | 113.5° | 89.7° |
| O03 | C02 | C04 | H4 | 65.4° | 90.0° |
| H2 | O05 | C04 | H4 | 113.2° | 60.0° |
| H3 | O06 | C04 | H4 | 60.5° | 179.9° |
