293
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.59Å | |
| O1 | C1 | sing | 1.43Å | 1.38Å | |
| C1 | O5 | sing | 1.43Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.59Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O3 | C3 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.62Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | O7 | sing | 1.43Å | 1.42Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 125.0° | 109.5° |
| C2 | C1 | O5 | 109.5° | 109.4° |
| C2 | C1 | H1 | 96.5° | 109.5° |
| C1 | C2 | C3 | 109.5° | 109.2° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H2A | 109.5° | 109.5° |
| O1 | C1 | O5 | 104.9° | 109.5° |
| O1 | C1 | H1 | 101.9° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| O5 | C1 | H1 | 119.9° | 109.4° |
| C1 | O5 | C5 | 115.7° | 114.1° |
| C3 | C2 | H2 | 109.5° | 109.5° |
| C3 | C2 | H2A | 109.5° | 109.6° |
| C2 | C3 | O3 | 107.8° | 109.5° |
| C2 | C3 | C4 | 108.3° | 109.0° |
| C2 | C3 | H3 | 111.5° | 109.6° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| O3 | C3 | C4 | 109.9° | 109.5° |
| O3 | C3 | H3 | 109.9° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| C3 | C4 | O4 | 110.5° | 109.5° |
| C3 | C4 | C5 | 107.4° | 109.2° |
| C3 | C4 | H4 | 109.6° | 109.5° |
| O4 | C4 | C5 | 107.7° | 109.5° |
| O4 | C4 | H4 | 109.4° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C4 | H4 | 112.3° | 109.5° |
| C4 | C5 | C6 | 111.1° | 109.5° |
| C4 | C5 | O5 | 108.0° | 109.4° |
| C4 | C5 | H5 | 109.1° | 109.5° |
| C6 | C5 | O5 | 108.5° | 109.5° |
| C6 | C5 | H5 | 108.5° | 109.5° |
| C5 | C6 | C7 | 111.1° | 109.5° |
| C5 | C6 | O6 | 105.1° | 109.5° |
| C5 | C6 | H6 | 111.4° | 109.5° |
| O5 | C5 | H5 | 111.7° | 109.5° |
| C7 | C6 | O6 | 109.8° | 109.4° |
| C7 | C6 | H6 | 106.8° | 109.4° |
| C6 | C7 | O7 | 109.6° | 109.5° |
| C6 | C7 | H71 | 109.4° | 109.5° |
| C6 | C7 | H72 | 109.4° | 109.5° |
| O6 | C6 | H6 | 112.7° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O7 | C7 | H71 | 109.4° | 109.5° |
| O7 | C7 | H72 | 109.4° | 109.4° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| H71 | C7 | H72 | 109.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 127.4° | 119.9° |
| C2 | C1 | O1 | H1 | 106.8° | 120.1° |
| C2 | C1 | O5 | H1 | 110.1° | 120.0° |
| C1 | C2 | C3 | H2 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 120.0° | 120.1° |
| C1 | C2 | C3 | O3 | 179.7° | 176.8° |
| C1 | C2 | C3 | C4 | 60.8° | 57.0° |
| C1 | C2 | C3 | H3 | 59.6° | 62.9° |
| C2 | C1 | O5 | C5 | 56.9° | 61.1° |
| C2 | C1 | O1 | HO1 | 12.7° | 179.9° |
| O1 | C1 | O5 | H1 | 113.6° | 120.0° |
| O1 | C1 | C2 | C3 | 70.1° | 62.3° |
| O1 | C1 | C2 | H2 | 49.9° | 57.6° |
| O1 | C1 | C2 | H2A | 169.9° | 177.7° |
| O1 | C1 | O5 | C5 | 79.4° | 58.8° |
| O5 | C1 | C2 | C3 | 55.4° | 57.6° |
| O5 | C1 | C2 | H2 | 175.5° | 177.5° |
| O5 | C1 | C2 | H2A | 64.6° | 62.4° |
| C1 | O5 | C5 | C4 | 59.2° | 61.1° |
| C1 | O5 | C5 | C6 | 179.7° | 178.9° |
| C1 | O5 | C5 | H5 | 60.7° | 58.8° |
| O5 | C1 | O1 | HO1 | 114.7° | 60.0° |
| H1 | C1 | C2 | C3 | 179.6° | 177.6° |
| H1 | C1 | C2 | H2 | 59.5° | 62.5° |
| H1 | C1 | C2 | H2A | 60.4° | 57.6° |
| H1 | C1 | O5 | C5 | 167.0° | 178.9° |
| H1 | C1 | O1 | HO1 | 119.6° | 60.0° |
| C3 | C2 | H2 | H2A | 120.0° | 120.2° |
| C2 | C3 | O3 | C4 | 117.8° | 119.5° |
| C2 | C3 | O3 | H3 | 121.7° | 120.3° |
| C2 | C3 | C4 | H3 | 121.7° | 119.9° |
| C2 | C3 | C4 | O4 | 179.9° | 176.9° |
| C2 | C3 | C4 | C5 | 62.7° | 57.0° |
| C2 | C3 | C4 | H4 | 59.5° | 62.9° |
| C2 | C3 | O3 | HO3 | 61.1° | 60.1° |
| H2 | C2 | C3 | O3 | 60.3° | 63.3° |
| H2 | C2 | C3 | C4 | 179.1° | 176.9° |
| H2 | C2 | C3 | H3 | 60.4° | 57.0° |
| H2A | C2 | C3 | O3 | 59.7° | 56.9° |
| H2A | C2 | C3 | C4 | 59.2° | 63.0° |
| H2A | C2 | C3 | H3 | 179.6° | 177.2° |
| O3 | C3 | C4 | H3 | 120.8° | 120.3° |
| O3 | C3 | C4 | O4 | 62.6° | 63.3° |
| O3 | C3 | C4 | C5 | 179.7° | 176.8° |
| O3 | C3 | C4 | H4 | 58.0° | 56.9° |
| C3 | C4 | O4 | C5 | 117.0° | 119.7° |
| C3 | C4 | O4 | H4 | 120.7° | 120.2° |
| C3 | C4 | C5 | H4 | 120.5° | 119.9° |
| C3 | C4 | C5 | C6 | 179.2° | 177.6° |
| C3 | C4 | C5 | O5 | 60.4° | 57.6° |
| C3 | C4 | C5 | H5 | 61.2° | 62.4° |
| C4 | C3 | O3 | HO3 | 56.7° | 179.6° |
| C3 | C4 | O4 | HO4 | 179.9° | 60.0° |
| H3 | C3 | C4 | O4 | 58.2° | 57.0° |
| H3 | C3 | C4 | C5 | 59.0° | 62.9° |
| H3 | C3 | C4 | H4 | 178.7° | 177.2° |
| H3 | C3 | O3 | HO3 | 177.2° | 60.2° |
| O4 | C4 | C5 | H4 | 120.4° | 120.2° |
| O4 | C4 | C5 | C6 | 61.8° | 62.5° |
| O4 | C4 | C5 | O5 | 179.4° | 177.5° |
| O4 | C4 | C5 | H5 | 57.8° | 57.5° |
| C4 | C5 | C6 | O5 | 118.5° | 120.0° |
| C4 | C5 | C6 | H5 | 119.9° | 120.0° |
| C4 | C5 | O5 | H5 | 119.9° | 119.9° |
| C4 | C5 | C6 | C7 | 178.7° | 175.0° |
| C4 | C5 | C6 | O6 | 62.6° | 55.0° |
| C4 | C5 | C6 | H6 | 59.7° | 65.0° |
| C5 | C4 | O4 | HO4 | 63.1° | 179.7° |
| H4 | C4 | C5 | C6 | 58.6° | 57.7° |
| H4 | C4 | C5 | O5 | 60.2° | 62.3° |
| H4 | C4 | C5 | H5 | 178.3° | 177.7° |
| H4 | C4 | O4 | HO4 | 59.2° | 60.1° |
| C6 | C5 | O5 | H5 | 119.6° | 120.0° |
| C5 | C6 | C7 | O6 | 115.8° | 120.0° |
| C5 | C6 | C7 | H6 | 121.7° | 120.0° |
| C5 | C6 | O6 | H6 | 121.5° | 120.0° |
| C5 | C6 | C7 | O7 | 179.8° | 175.0° |
| C5 | C6 | C7 | H71 | 59.8° | 65.0° |
| C5 | C6 | C7 | H72 | 60.3° | 55.0° |
| C5 | C6 | O6 | HO6 | 113.3° | 60.0° |
| O5 | C5 | C6 | C7 | 62.7° | 55.1° |
| O5 | C5 | C6 | O6 | 56.0° | 64.9° |
| O5 | C5 | C6 | H6 | 178.3° | 175.0° |
| H5 | C5 | C6 | C7 | 58.8° | 65.0° |
| H5 | C5 | C6 | O6 | 177.5° | 175.0° |
| H5 | C5 | C6 | H6 | 60.2° | 55.0° |
| C7 | C6 | O6 | H6 | 118.9° | 120.0° |
| C6 | C7 | O7 | H71 | 120.0° | 120.0° |
| C6 | C7 | O7 | H72 | 119.9° | 120.0° |
| C6 | C7 | H71 | H72 | 120.0° | 120.0° |
| C7 | C6 | O6 | HO6 | 6.4° | 60.0° |
| C6 | C7 | O7 | HO7 | 104.7° | 180.0° |
| O6 | C6 | C7 | O7 | 63.9° | 65.0° |
| O6 | C6 | C7 | H71 | 56.1° | 55.0° |
| O6 | C6 | C7 | H72 | 176.2° | 175.0° |
| H6 | C6 | C7 | O7 | 58.5° | 55.0° |
| H6 | C6 | C7 | H71 | 178.5° | 175.0° |
| H6 | C6 | C7 | H72 | 61.4° | 65.0° |
| H6 | C6 | O6 | HO6 | 125.3° | 180.0° |
| O7 | C7 | H71 | H72 | 119.9° | 119.9° |
| H71 | C7 | O7 | HO7 | 15.3° | 60.0° |
| H72 | C7 | O7 | HO7 | 135.4° | 60.0° |
