BGC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 107.7° | 109.2° |
| C3 | C2 | O2 | 109.5° | 109.5° |
| C3 | C2 | H2 | 109.4° | 109.6° |
| C2 | C3 | C4 | 112.0° | 109.0° |
| C2 | C3 | O3 | 113.2° | 109.6° |
| C2 | C3 | H3 | 106.1° | 109.6° |
| C1 | C2 | O2 | 109.3° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C2 | C1 | O1 | 110.3° | 109.5° |
| C2 | C1 | O5 | 109.7° | 109.4° |
| C2 | C1 | H1 | 108.1° | 109.5° |
| O2 | C2 | H2 | 111.3° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C4 | C3 | O3 | 111.7° | 109.5° |
| C4 | C3 | H3 | 105.9° | 109.5° |
| C3 | C4 | C5 | 112.8° | 109.2° |
| C3 | C4 | O4 | 109.4° | 109.5° |
| C3 | C4 | H4 | 107.4° | 109.5° |
| O3 | C3 | H3 | 107.3° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 113.9° |
| C5 | C4 | O4 | 110.5° | 109.5° |
| C5 | C4 | H4 | 107.5° | 109.5° |
| C4 | C5 | C6 | 110.2° | 109.5° |
| C4 | C5 | O5 | 111.9° | 109.4° |
| C4 | C5 | H5 | 107.4° | 109.4° |
| O4 | C4 | H4 | 109.1° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C6 | C5 | O5 | 110.8° | 109.5° |
| C6 | C5 | H5 | 107.6° | 109.5° |
| C5 | C6 | O6 | 110.9° | 109.4° |
| C5 | C6 | H61 | 109.1° | 109.5° |
| C5 | C6 | H62 | 109.1° | 109.4° |
| O5 | C5 | H5 | 108.8° | 109.5° |
| C5 | O5 | C1 | 112.5° | 114.1° |
| O6 | C6 | H61 | 109.1° | 109.5° |
| O6 | C6 | H62 | 109.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| O1 | C1 | O5 | 109.3° | 109.5° |
| O1 | C1 | H1 | 109.7° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| O5 | C1 | H1 | 109.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | O2 | 118.9° | 119.9° |
| C3 | C2 | C1 | H2 | 118.9° | 120.0° |
| C3 | C2 | O2 | H2 | 121.1° | 120.2° |
| C2 | C3 | C4 | O3 | 128.2° | 119.9° |
| C2 | C3 | C4 | H3 | 115.3° | 119.9° |
| C2 | C3 | O3 | H3 | 116.8° | 120.3° |
| C2 | C3 | C4 | C5 | 43.6° | 57.0° |
| C2 | C3 | C4 | O4 | 167.1° | 176.9° |
| C2 | C3 | C4 | H4 | 74.6° | 62.9° |
| C3 | C2 | C1 | O1 | 176.3° | 177.6° |
| C3 | C2 | C1 | O5 | 63.2° | 57.7° |
| C3 | C2 | C1 | H1 | 56.3° | 62.3° |
| C3 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C1 | C2 | O2 | H2 | 121.1° | 120.1° |
| C1 | C2 | C3 | C4 | 51.6° | 57.0° |
| C1 | C2 | C3 | O3 | 178.9° | 176.9° |
| C1 | C2 | C3 | H3 | 63.6° | 62.8° |
| C2 | C1 | O5 | C5 | 67.7° | 61.2° |
| C2 | C1 | O1 | O5 | 120.7° | 119.9° |
| C2 | C1 | O1 | H1 | 119.1° | 120.1° |
| C2 | C1 | O5 | H1 | 118.6° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | O2 | HO2 | 62.2° | 60.4° |
| O2 | C2 | C3 | C4 | 170.4° | 176.9° |
| O2 | C2 | C3 | O3 | 62.3° | 63.3° |
| O2 | C2 | C3 | H3 | 55.2° | 57.0° |
| O2 | C2 | C1 | O1 | 57.4° | 62.5° |
| O2 | C2 | C1 | O5 | 177.9° | 177.5° |
| O2 | C2 | C1 | H1 | 62.6° | 57.5° |
| H2 | C2 | C3 | C4 | 67.4° | 62.9° |
| H2 | C2 | C3 | O3 | 60.0° | 56.9° |
| H2 | C2 | C3 | H3 | 177.5° | 177.2° |
| H2 | C2 | C1 | O1 | 64.8° | 57.6° |
| H2 | C2 | C1 | O5 | 55.7° | 62.3° |
| H2 | C2 | C1 | H1 | 175.2° | 177.7° |
| H2 | C2 | O2 | HO2 | 58.9° | 59.8° |
| C4 | C3 | O3 | H3 | 115.7° | 120.2° |
| C3 | C4 | C5 | O4 | 122.9° | 119.9° |
| C3 | C4 | C5 | H4 | 118.2° | 119.9° |
| C3 | C4 | O4 | H4 | 117.2° | 120.2° |
| C3 | C4 | C5 | C6 | 168.2° | 177.6° |
| C3 | C4 | C5 | O5 | 44.5° | 57.6° |
| C3 | C4 | C5 | H5 | 74.9° | 62.4° |
| C4 | C3 | O3 | HO3 | 52.5° | 179.5° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| O3 | C3 | C4 | C5 | 171.8° | 176.8° |
| O3 | C3 | C4 | O4 | 64.7° | 63.2° |
| O3 | C3 | C4 | H4 | 53.6° | 57.0° |
| H3 | C3 | C4 | C5 | 71.7° | 62.9° |
| H3 | C3 | C4 | O4 | 51.8° | 57.0° |
| H3 | C3 | C4 | H4 | 170.1° | 177.3° |
| H3 | C3 | O3 | HO3 | 63.2° | 60.3° |
| C5 | C4 | O4 | H4 | 117.9° | 120.1° |
| C4 | C5 | C6 | O5 | 124.4° | 120.0° |
| C4 | C5 | C6 | H5 | 116.8° | 120.0° |
| C4 | C5 | O5 | H5 | 118.5° | 119.9° |
| C4 | C5 | C6 | O6 | 142.5° | 175.0° |
| C4 | C5 | C6 | H61 | 22.3° | 55.0° |
| C4 | C5 | C6 | H62 | 97.3° | 65.0° |
| C4 | C5 | O5 | C1 | 57.1° | 61.1° |
| C5 | C4 | O4 | HO4 | 55.1° | 179.7° |
| O4 | C4 | C5 | C6 | 68.9° | 62.5° |
| O4 | C4 | C5 | O5 | 167.4° | 177.5° |
| O4 | C4 | C5 | H5 | 48.0° | 57.6° |
| H4 | C4 | C5 | C6 | 50.1° | 57.7° |
| H4 | C4 | C5 | O5 | 73.7° | 62.3° |
| H4 | C4 | C5 | H5 | 166.9° | 177.7° |
| H4 | C4 | O4 | HO4 | 62.8° | 60.2° |
| C6 | C5 | O5 | H5 | 118.0° | 120.1° |
| C5 | C6 | O6 | H61 | 120.2° | 120.0° |
| C5 | C6 | O6 | H62 | 120.2° | 120.0° |
| C5 | C6 | H61 | H62 | 119.4° | 120.0° |
| C6 | C5 | O5 | C1 | 179.4° | 178.8° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 93.1° | 65.1° |
| O5 | C5 | C6 | H61 | 146.7° | 174.9° |
| O5 | C5 | C6 | H62 | 27.1° | 55.0° |
| C5 | O5 | C1 | O1 | 171.2° | 178.9° |
| C5 | O5 | C1 | H1 | 51.0° | 58.8° |
| H5 | C5 | C6 | O6 | 25.7° | 55.0° |
| H5 | C5 | C6 | H61 | 94.5° | 65.0° |
| H5 | C5 | C6 | H62 | 145.9° | 175.0° |
| H5 | C5 | O5 | C1 | 61.4° | 58.8° |
| O6 | C6 | H61 | H62 | 119.4° | 120.1° |
| H61 | C6 | O6 | HO6 | 59.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.8° | 60.0° |
| O1 | C1 | O5 | H1 | 120.3° | 120.1° |
| O5 | C1 | O1 | HO1 | 59.3° | 60.1° |
| H1 | C1 | O1 | HO1 | 60.9° | 60.0° |
