REL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6A | C6 | doub | 1.21Å | 1.27Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C6 | O6B | sing | 1.34Å | 1.24Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.56Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| O6B | HO6B | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6A | C6 | O6B | 125.5° | 120.0° |
| O6A | C6 | C5 | 116.0° | 120.0° |
| O4 | C4 | C5 | 106.6° | 109.5° |
| O4 | C4 | C3 | 108.7° | 109.5° |
| O4 | C4 | H4 | 109.8° | 109.4° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O6B | C6 | C5 | 118.5° | 120.0° |
| C6 | O6B | HO6B | 109.5° | 117.0° |
| C6 | C5 | C4 | 113.1° | 109.5° |
| C6 | C5 | O5 | 108.1° | 109.4° |
| C6 | C5 | H5 | 108.6° | 109.5° |
| C4 | C5 | O5 | 108.8° | 109.5° |
| C5 | C4 | C3 | 114.9° | 109.5° |
| C4 | C5 | H5 | 108.3° | 109.5° |
| C5 | C4 | H4 | 108.4° | 109.5° |
| O5 | C5 | H5 | 110.0° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C4 | C3 | O3 | 111.7° | 109.4° |
| C4 | C3 | C2 | 110.9° | 109.5° |
| C3 | C4 | H4 | 108.4° | 109.5° |
| C4 | C3 | H3 | 107.6° | 109.5° |
| O3 | C3 | C2 | 109.8° | 109.5° |
| O3 | C3 | H3 | 109.0° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | O2 | 112.1° | 109.5° |
| C3 | C2 | C1 | 110.6° | 109.5° |
| C2 | C3 | H3 | 107.7° | 109.5° |
| C3 | C2 | H2 | 107.4° | 109.5° |
| O2 | C2 | C1 | 110.0° | 109.4° |
| O2 | C2 | H2 | 109.0° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C1 | O1 | 121.3° | 120.0° |
| C1 | C2 | H2 | 107.5° | 109.5° |
| C2 | C1 | H1 | 119.4° | 120.0° |
| O1 | C1 | H1 | 119.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6A | C6 | O6B | C5 | 179.5° | 179.7° |
| O6A | C6 | C5 | C4 | 92.4° | 115.0° |
| O6A | C6 | C5 | O5 | 147.1° | 5.0° |
| O6A | C6 | O6B | HO6B | 0.0° | 0.0° |
| O6A | C6 | C5 | H5 | 27.8° | 125.0° |
| O4 | C4 | C5 | C6 | 61.2° | 60.0° |
| O4 | C4 | C5 | C3 | 120.4° | 120.0° |
| O4 | C4 | C5 | H4 | 118.2° | 120.0° |
| O4 | C4 | C5 | O5 | 178.7° | 180.0° |
| O4 | C4 | C3 | H4 | 119.3° | 120.0° |
| O4 | C4 | C3 | O3 | 49.2° | 65.0° |
| O4 | C4 | C3 | C2 | 172.1° | 55.0° |
| O4 | C4 | C5 | H5 | 59.2° | 60.0° |
| O4 | C4 | C3 | H3 | 70.3° | 175.0° |
| O6B | C6 | C5 | C4 | 88.0° | 65.2° |
| O6B | C6 | C5 | O5 | 32.4° | 174.7° |
| O6B | C6 | C5 | H5 | 151.7° | 54.7° |
| C6 | C5 | C4 | O5 | 120.1° | 120.0° |
| C6 | C5 | C4 | H5 | 120.4° | 120.0° |
| C6 | C5 | O5 | H5 | 118.4° | 120.0° |
| C6 | C5 | C4 | C3 | 178.4° | 180.0° |
| C5 | C6 | O6B | HO6B | 179.5° | 179.7° |
| C6 | C5 | O5 | HO5 | 180.0° | 60.0° |
| C6 | C5 | C4 | H4 | 57.0° | 60.0° |
| C4 | C5 | O5 | H5 | 118.4° | 120.0° |
| C5 | C4 | C3 | H4 | 121.4° | 120.0° |
| C5 | C4 | C3 | O3 | 168.5° | 55.0° |
| C5 | C4 | C3 | C2 | 68.7° | 175.0° |
| C4 | C5 | O5 | HO5 | 56.8° | 60.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C5 | C4 | C3 | H3 | 48.9° | 65.0° |
| O5 | C5 | C4 | C3 | 58.3° | 60.0° |
| O5 | C5 | C4 | H4 | 63.1° | 60.0° |
| C4 | C3 | O3 | C2 | 123.5° | 120.0° |
| C4 | C3 | O3 | H3 | 118.8° | 120.0° |
| C4 | C3 | C2 | H3 | 117.5° | 120.0° |
| C4 | C3 | C2 | O2 | 102.8° | 55.0° |
| C4 | C3 | C2 | C1 | 133.9° | 175.0° |
| C3 | C4 | C5 | H5 | 61.2° | 60.0° |
| C3 | C4 | O4 | HO4 | 55.6° | 60.0° |
| C4 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C4 | C3 | C2 | H2 | 16.8° | 65.0° |
| O3 | C3 | C2 | H3 | 118.6° | 120.0° |
| O3 | C3 | C2 | O2 | 21.1° | 64.9° |
| O3 | C3 | C2 | C1 | 102.2° | 55.0° |
| O3 | C3 | C4 | H4 | 70.1° | 175.1° |
| O3 | C3 | C2 | H2 | 140.8° | 175.0° |
| C3 | C2 | O2 | C1 | 123.6° | 120.0° |
| C3 | C2 | O2 | H2 | 118.7° | 120.0° |
| C3 | C2 | C1 | H2 | 117.0° | 120.0° |
| C3 | C2 | C1 | O1 | 150.0° | 119.9° |
| C2 | C3 | C4 | H4 | 52.7° | 65.0° |
| C2 | C3 | O3 | HO3 | 56.5° | 60.0° |
| C3 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C3 | C2 | C1 | H1 | 30.0° | 60.0° |
| O2 | C2 | C1 | H2 | 118.6° | 120.0° |
| O2 | C2 | C1 | O1 | 85.5° | 0.1° |
| O2 | C2 | C3 | H3 | 139.7° | 175.0° |
| O2 | C2 | C1 | H1 | 94.5° | 180.0° |
| C2 | C1 | O1 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H3 | 16.4° | 65.0° |
| C1 | C2 | O2 | HO2 | 56.4° | 60.0° |
| O1 | C1 | C2 | H2 | 33.0° | 120.1° |
| H5 | C5 | O5 | HO5 | 61.6° | 180.0° |
| H5 | C5 | C4 | H4 | 177.4° | 180.0° |
| H4 | C4 | O4 | HO4 | 62.8° | 180.0° |
| H4 | C4 | C3 | H3 | 170.3° | 55.1° |
| H3 | C3 | O3 | HO3 | 61.2° | 180.0° |
| H3 | C3 | C2 | H2 | 100.7° | 55.0° |
| H2 | C2 | O2 | HO2 | 61.3° | 180.0° |
| H2 | C2 | C1 | H1 | 147.0° | 60.0° |
