DXG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1B | C1 | doub | 1.28Å | 1.25Å | |
| O1A | C1 | sing | 1.28Å | 1.27Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| O2 | HO21 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| O3 | HO31 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| O5 | C5 | sing | 1.43Å | 1.42Å | |
| O5 | HO51 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C6 | O6A | doub | 1.22Å | 1.26Å | |
| C6 | O6B | sing | 1.22Å | 1.26Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | C1 | O1A | 122.4° | 120.0° |
| O1B | C1 | C2 | 115.8° | 120.0° |
| O1A | C1 | C2 | 121.8° | 120.0° |
| C1 | C2 | O2 | 107.4° | 109.5° |
| C1 | C2 | C3 | 109.5° | 109.5° |
| C1 | C2 | H21 | 111.0° | 109.5° |
| O2 | C2 | C3 | 109.9° | 109.5° |
| O2 | C2 | H21 | 110.5° | 109.5° |
| C2 | O2 | HO21 | 107.4° | 106.8° |
| C3 | C2 | H21 | 108.5° | 109.5° |
| C2 | C3 | O3 | 109.0° | 109.5° |
| C2 | C3 | C4 | 112.2° | 109.4° |
| C2 | C3 | H31 | 109.5° | 109.5° |
| O3 | C3 | C4 | 113.6° | 109.5° |
| O3 | C3 | H31 | 107.9° | 109.5° |
| C3 | O3 | HO31 | 109.0° | 106.8° |
| C4 | C3 | H31 | 104.4° | 109.5° |
| C3 | C4 | C5 | 114.3° | 109.4° |
| C3 | C4 | H41 | 110.5° | 109.5° |
| C3 | C4 | H42 | 110.5° | 109.5° |
| C5 | C4 | H41 | 110.4° | 109.4° |
| C5 | C4 | H42 | 110.5° | 109.5° |
| C4 | C5 | O5 | 113.9° | 109.5° |
| C4 | C5 | C6 | 112.9° | 109.4° |
| C4 | C5 | H51 | 104.9° | 109.5° |
| H41 | C4 | H42 | 99.8° | 109.5° |
| C5 | O5 | HO51 | 113.8° | 106.8° |
| O5 | C5 | C6 | 112.7° | 109.5° |
| O5 | C5 | H51 | 105.2° | 109.5° |
| C6 | C5 | H51 | 106.3° | 109.4° |
| C5 | C6 | O6A | 118.3° | 119.9° |
| C5 | C6 | O6B | 120.4° | 120.0° |
| O6A | C6 | O6B | 121.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | C1 | O1A | C2 | 178.1° | 180.0° |
| O1B | C1 | C2 | O2 | 10.4° | 175.0° |
| O1B | C1 | C2 | C3 | 109.0° | 65.0° |
| O1B | C1 | C2 | H21 | 131.3° | 55.0° |
| O1A | C1 | C2 | O2 | 171.5° | 5.0° |
| O1A | C1 | C2 | C3 | 69.2° | 115.0° |
| O1A | C1 | C2 | H21 | 50.5° | 125.0° |
| C1 | C2 | O2 | C3 | 119.0° | 120.0° |
| C1 | C2 | O2 | H21 | 121.3° | 120.0° |
| C1 | C2 | C3 | H21 | 121.3° | 120.0° |
| C1 | C2 | O2 | HO21 | 180.0° | 60.0° |
| C1 | C2 | C3 | O3 | 54.1° | 55.0° |
| C1 | C2 | C3 | C4 | 179.1° | 175.0° |
| C1 | C2 | C3 | H31 | 63.7° | 65.0° |
| O2 | C2 | C3 | H21 | 121.0° | 120.0° |
| O2 | C2 | C3 | O3 | 63.6° | 65.0° |
| O2 | C2 | C3 | C4 | 63.2° | 55.0° |
| O2 | C2 | C3 | H31 | 178.6° | 175.0° |
| C3 | C2 | O2 | HO21 | 60.9° | 60.0° |
| C2 | C3 | O3 | C4 | 125.9° | 120.0° |
| C2 | C3 | O3 | H31 | 118.9° | 120.0° |
| C2 | C3 | C4 | H31 | 118.5° | 120.0° |
| C2 | C3 | O3 | HO31 | 180.0° | 59.9° |
| C2 | C3 | C4 | C5 | 79.4° | 175.0° |
| C2 | C3 | C4 | H41 | 155.3° | 65.0° |
| C2 | C3 | C4 | H42 | 45.8° | 55.0° |
| H21 | C2 | O2 | HO21 | 58.8° | 180.0° |
| H21 | C2 | C3 | O3 | 175.4° | 175.0° |
| H21 | C2 | C3 | C4 | 57.8° | 65.0° |
| H21 | C2 | C3 | H31 | 57.6° | 55.0° |
| O3 | C3 | C4 | H31 | 117.2° | 120.0° |
| O3 | C3 | C4 | C5 | 156.3° | 65.0° |
| O3 | C3 | C4 | H41 | 31.0° | 55.0° |
| O3 | C3 | C4 | H42 | 78.4° | 175.0° |
| C4 | C3 | O3 | HO31 | 54.0° | 60.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 116.3° | 120.1° |
| C3 | C4 | C5 | O5 | 15.3° | 65.0° |
| C3 | C4 | C5 | C6 | 145.4° | 175.0° |
| C3 | C4 | C5 | H51 | 99.3° | 55.0° |
| H31 | C3 | O3 | HO31 | 61.2° | 180.0° |
| H31 | C3 | C4 | C5 | 39.0° | 55.0° |
| H31 | C3 | C4 | H41 | 86.2° | 175.0° |
| H31 | C3 | C4 | H42 | 164.3° | 65.0° |
| C5 | C4 | H41 | H42 | 116.3° | 120.0° |
| C4 | C5 | O5 | C6 | 130.3° | 120.0° |
| C4 | C5 | O5 | H51 | 114.3° | 120.1° |
| C4 | C5 | O5 | HO51 | 180.0° | 60.0° |
| C4 | C5 | C6 | H51 | 114.5° | 120.0° |
| C4 | C5 | C6 | O6A | 3.7° | 115.0° |
| C4 | C5 | C6 | O6B | 175.8° | 65.0° |
| H41 | C4 | C5 | O5 | 140.6° | 175.0° |
| H41 | C4 | C5 | C6 | 89.3° | 55.0° |
| H41 | C4 | C5 | H51 | 26.0° | 65.0° |
| H42 | C4 | C5 | O5 | 110.0° | 55.0° |
| H42 | C4 | C5 | C6 | 20.1° | 65.0° |
| H42 | C4 | C5 | H51 | 135.4° | 175.0° |
| O5 | C5 | C6 | H51 | 114.8° | 120.0° |
| O5 | C5 | C6 | O6A | 127.0° | 5.0° |
| O5 | C5 | C6 | O6B | 53.5° | 175.0° |
| HO51 | O5 | C5 | C6 | 49.7° | 60.0° |
| HO51 | O5 | C5 | H51 | 65.7° | 180.0° |
| C5 | C6 | O6A | O6B | 179.5° | 180.0° |
| H51 | C5 | C6 | O6A | 118.3° | 125.0° |
| H51 | C5 | C6 | O6B | 61.3° | 55.0° |
