6BG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.40Å | |
| O2 | C2 | sing | 1.43Å | 1.40Å | |
| C3 | C2 | sing | 1.53Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| O4 | C4 | sing | 1.43Å | 1.40Å | |
| C2 | C1 | sing | 1.53Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C1 | O1 | sing | 1.43Å | 1.39Å | |
| C1 | O5 | sing | 1.43Å | 1.39Å | |
| C5 | O5 | sing | 1.43Å | 1.40Å | |
| C5 | C6 | sing | 1.53Å | 1.49Å | |
| C6 | BR6 | sing | 1.97Å | 1.98Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C2 | 107.2° | 109.5° |
| O3 | C3 | C4 | 111.3° | 109.5° |
| O3 | C3 | H3 | 111.1° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O2 | C2 | C3 | 109.4° | 109.5° |
| O2 | C2 | C1 | 104.1° | 109.5° |
| O2 | C2 | H2 | 112.4° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | C4 | 107.4° | 109.0° |
| C3 | C2 | C1 | 108.3° | 109.2° |
| C2 | C3 | H3 | 109.9° | 109.6° |
| C3 | C2 | H2 | 111.1° | 109.6° |
| C3 | C4 | O4 | 105.5° | 109.5° |
| C3 | C4 | C5 | 112.4° | 109.2° |
| C3 | C4 | H4 | 111.1° | 109.5° |
| C4 | C3 | H3 | 109.8° | 109.5° |
| O4 | C4 | C5 | 104.2° | 109.6° |
| O4 | C4 | H4 | 112.5° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C2 | C1 | O1 | 101.2° | 109.5° |
| C2 | C1 | O5 | 104.7° | 109.4° |
| C2 | C1 | H1 | 112.5° | 109.4° |
| C1 | C2 | H2 | 111.3° | 109.5° |
| C4 | C5 | O5 | 112.6° | 109.4° |
| C4 | C5 | C6 | 110.0° | 109.4° |
| C4 | C5 | H5 | 108.8° | 109.5° |
| C5 | C4 | H4 | 110.9° | 109.6° |
| O1 | C1 | O5 | 109.7° | 109.5° |
| O1 | C1 | H1 | 113.8° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C1 | O5 | C5 | 109.4° | 114.1° |
| O5 | C1 | H1 | 113.9° | 109.5° |
| O5 | C5 | C6 | 106.1° | 109.5° |
| O5 | C5 | H5 | 110.3° | 109.5° |
| C5 | C6 | BR6 | 105.3° | 109.5° |
| C5 | C6 | H61 | 110.5° | 109.5° |
| C5 | C6 | H62 | 110.5° | 109.5° |
| C6 | C5 | H5 | 109.0° | 109.4° |
| BR6 | C6 | H61 | 110.5° | 109.4° |
| BR6 | C6 | H62 | 110.5° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C2 | O2 | 67.4° | 63.3° |
| O3 | C3 | C2 | C4 | 119.7° | 119.8° |
| O3 | C3 | C2 | H3 | 120.9° | 120.3° |
| O3 | C3 | C4 | H3 | 123.4° | 120.3° |
| O3 | C3 | C4 | O4 | 83.6° | 63.2° |
| O3 | C3 | C2 | C1 | 179.8° | 176.8° |
| O3 | C3 | C4 | C5 | 163.6° | 176.8° |
| O3 | C3 | C4 | H4 | 38.6° | 56.9° |
| O3 | C3 | C2 | H2 | 57.3° | 56.9° |
| O2 | C2 | C3 | C1 | 112.8° | 119.9° |
| O2 | C2 | C3 | H2 | 124.7° | 120.1° |
| O2 | C2 | C3 | C4 | 172.9° | 176.9° |
| O2 | C2 | C1 | H2 | 121.3° | 120.1° |
| O2 | C2 | C1 | O1 | 56.8° | 62.5° |
| O2 | C2 | C1 | O5 | 170.7° | 177.5° |
| O2 | C2 | C1 | H1 | 65.0° | 57.6° |
| O2 | C2 | C3 | H3 | 53.5° | 57.0° |
| C2 | C3 | C4 | H3 | 119.5° | 119.9° |
| C2 | C3 | C4 | O4 | 159.4° | 176.9° |
| C3 | C2 | C1 | H2 | 122.4° | 120.0° |
| C2 | C3 | C4 | C5 | 46.5° | 57.0° |
| C3 | C2 | C1 | O1 | 173.1° | 177.6° |
| C3 | C2 | C1 | O5 | 73.0° | 57.6° |
| C3 | C2 | C1 | H1 | 51.2° | 62.4° |
| C2 | C3 | C4 | H4 | 78.5° | 62.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.1° |
| C3 | C2 | O2 | HO2 | 180.0° | 180.0° |
| C3 | C4 | O4 | C5 | 118.5° | 119.7° |
| C3 | C4 | O4 | H4 | 121.3° | 120.1° |
| C4 | C3 | C2 | C1 | 60.1° | 57.0° |
| C3 | C4 | C5 | H4 | 125.0° | 119.9° |
| C3 | C4 | C5 | O5 | 46.4° | 57.7° |
| C3 | C4 | C5 | C6 | 164.5° | 177.6° |
| C3 | C4 | C5 | H5 | 76.2° | 62.4° |
| C3 | C4 | O4 | HO4 | 180.0° | 179.7° |
| C4 | C3 | O3 | HO3 | 62.8° | 179.6° |
| C4 | C3 | C2 | H2 | 62.4° | 63.0° |
| O4 | C4 | C5 | H4 | 121.3° | 120.2° |
| O4 | C4 | C5 | O5 | 160.1° | 177.6° |
| O4 | C4 | C5 | C6 | 81.8° | 62.4° |
| O4 | C4 | C5 | H5 | 37.5° | 57.5° |
| O4 | C4 | C3 | H3 | 39.9° | 57.1° |
| C2 | C1 | O1 | O5 | 110.2° | 120.0° |
| C2 | C1 | O1 | H1 | 120.9° | 120.0° |
| C2 | C1 | O5 | H1 | 123.3° | 119.9° |
| C2 | C1 | O5 | C5 | 70.9° | 61.1° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 59.3° | 62.9° |
| C1 | C2 | O2 | HO2 | 64.5° | 60.2° |
| C4 | C5 | O5 | C1 | 58.8° | 61.2° |
| C4 | C5 | O5 | C6 | 120.4° | 119.9° |
| C4 | C5 | O5 | H5 | 121.8° | 120.1° |
| C4 | C5 | C6 | H5 | 119.2° | 120.0° |
| C4 | C5 | C6 | BR6 | 172.7° | 175.1° |
| C4 | C5 | C6 | H61 | 53.3° | 65.0° |
| C4 | C5 | C6 | H62 | 68.0° | 55.0° |
| C5 | C4 | O4 | HO4 | 61.5° | 60.0° |
| C5 | C4 | C3 | H3 | 73.0° | 62.9° |
| O1 | C1 | O5 | H1 | 128.9° | 120.1° |
| O1 | C1 | O5 | C5 | 178.8° | 178.9° |
| O1 | C1 | C2 | H2 | 64.5° | 57.6° |
| C1 | O5 | C5 | C6 | 179.2° | 178.9° |
| C1 | O5 | C5 | H5 | 63.0° | 58.9° |
| O5 | C1 | O1 | HO1 | 69.8° | 60.0° |
| O5 | C1 | C2 | H2 | 49.4° | 62.4° |
| O5 | C5 | C6 | H5 | 118.7° | 120.0° |
| O5 | C5 | C6 | BR6 | 65.3° | 65.0° |
| O5 | C5 | C6 | H61 | 175.4° | 55.0° |
| O5 | C5 | C6 | H62 | 54.1° | 175.0° |
| C5 | O5 | C1 | H1 | 52.3° | 58.8° |
| O5 | C5 | C4 | H4 | 78.6° | 62.2° |
| C5 | C6 | BR6 | H61 | 119.4° | 120.0° |
| C5 | C6 | BR6 | H62 | 119.4° | 120.1° |
| C5 | C6 | H61 | H62 | 121.9° | 120.1° |
| C6 | C5 | C4 | H4 | 39.4° | 57.7° |
| BR6 | C6 | H61 | H62 | 121.9° | 120.0° |
| BR6 | C6 | C5 | H5 | 53.5° | 55.0° |
| H61 | C6 | C5 | H5 | 65.9° | 175.0° |
| H62 | C6 | C5 | H5 | 172.8° | 65.0° |
| H5 | C5 | C4 | H4 | 158.8° | 177.7° |
| H1 | C1 | O1 | HO1 | 59.2° | 60.0° |
| H1 | C1 | C2 | H2 | 173.7° | 177.7° |
| H4 | C4 | O4 | HO4 | 58.7° | 60.2° |
| H4 | C4 | C3 | H3 | 162.0° | 177.2° |
| H3 | C3 | O3 | HO3 | 59.8° | 60.2° |
| H3 | C3 | C2 | H2 | 178.2° | 177.2° |
| H2 | C2 | O2 | HO2 | 56.0° | 59.9° |
