BGQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HA | sing | 0.97Å | 0.95Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.2° | 109.5° |
| O1 | C1 | H11C | 106.5° | 109.4° |
| O1 | C1 | H12C | 106.5° | 109.5° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C1 | C2 | O2 | 112.3° | 109.5° |
| C1 | C2 | C3 | 121.6° | 109.5° |
| C2 | C1 | H11C | 106.4° | 109.5° |
| C2 | C1 | H12C | 106.5° | 109.5° |
| C1 | C2 | H2 | 104.7° | 109.5° |
| O2 | C2 | C3 | 106.2° | 109.5° |
| O2 | C2 | H2 | 106.0° | 109.4° |
| C2 | O2 | HA | 109.5° | 113.9° |
| C2 | C3 | C4 | 120.9° | 109.5° |
| C3 | C2 | H2 | 104.9° | 109.5° |
| C2 | C3 | H31C | 106.5° | 109.5° |
| C2 | C3 | H32C | 106.5° | 109.5° |
| C3 | C4 | O4 | 109.6° | 109.5° |
| C4 | C3 | H31C | 106.5° | 109.4° |
| C4 | C3 | H32C | 106.5° | 109.5° |
| C3 | C4 | H41C | 109.4° | 109.5° |
| C3 | C4 | H42C | 109.4° | 109.5° |
| O4 | C4 | H41C | 109.4° | 109.4° |
| O4 | C4 | H42C | 109.4° | 109.4° |
| C4 | O4 | H4 | 109.5° | 114.1° |
| H11C | C1 | H12C | 109.5° | 109.4° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H41C | C4 | H42C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H11C | 121.6° | 120.0° |
| O1 | C1 | C2 | H12C | 121.7° | 120.0° |
| O1 | C1 | C2 | O2 | 50.0° | 65.0° |
| O1 | C1 | C2 | C3 | 77.2° | 175.0° |
| O1 | C1 | H11C | H12C | 114.7° | 119.9° |
| O1 | C1 | C2 | H2 | 164.6° | 55.0° |
| C1 | C2 | O2 | C3 | 135.1° | 120.0° |
| C1 | C2 | O2 | H2 | 113.8° | 120.0° |
| C1 | C2 | C3 | H2 | 118.1° | 120.0° |
| C1 | C2 | C3 | C4 | 17.3° | 175.0° |
| C2 | C1 | H11C | H12C | 114.7° | 120.0° |
| C1 | C2 | O2 | HA | 180.0° | 60.0° |
| C1 | C2 | C3 | H31C | 104.3° | 55.0° |
| C1 | C2 | C3 | H32C | 138.8° | 65.0° |
| C2 | C1 | O1 | H1 | 180.0° | 180.0° |
| O2 | C2 | C3 | H2 | 112.0° | 120.0° |
| O2 | C2 | C3 | C4 | 147.2° | 65.0° |
| O2 | C2 | C1 | H11C | 71.6° | 175.0° |
| O2 | C2 | C1 | H12C | 171.7° | 55.1° |
| O2 | C2 | C3 | H31C | 25.6° | 175.1° |
| O2 | C2 | C3 | H32C | 91.2° | 55.0° |
| C2 | C3 | C4 | H31C | 121.6° | 120.0° |
| C2 | C3 | C4 | H32C | 121.6° | 120.0° |
| C2 | C3 | C4 | O4 | 128.5° | 180.0° |
| C3 | C2 | C1 | H11C | 161.2° | 55.0° |
| C3 | C2 | C1 | H12C | 44.4° | 65.0° |
| C3 | C2 | O2 | HA | 44.9° | 60.0° |
| C2 | C3 | H31C | H32C | 114.8° | 120.0° |
| C2 | C3 | C4 | H41C | 111.5° | 60.0° |
| C2 | C3 | C4 | H42C | 8.4° | 60.0° |
| C3 | C4 | O4 | H41C | 120.0° | 120.0° |
| C3 | C4 | O4 | H42C | 120.0° | 120.0° |
| C4 | C3 | C2 | H2 | 100.8° | 55.0° |
| C4 | C3 | H31C | H32C | 114.8° | 120.0° |
| C3 | C4 | H41C | H42C | 119.9° | 120.0° |
| C3 | C4 | O4 | H4 | 180.0° | 180.0° |
| O4 | C4 | C3 | H31C | 6.9° | 60.0° |
| O4 | C4 | C3 | H32C | 110.0° | 60.0° |
| O4 | C4 | H41C | H42C | 119.9° | 119.9° |
| H11C | C1 | C2 | H2 | 43.0° | 65.0° |
| H11C | C1 | O1 | H1 | 58.4° | 60.0° |
| H12C | C1 | C2 | H2 | 73.7° | 175.0° |
| H12C | C1 | O1 | H1 | 58.4° | 60.0° |
| H2 | C2 | O2 | HA | 66.3° | 180.0° |
| H2 | C2 | C3 | H31C | 137.6° | 65.0° |
| H2 | C2 | C3 | H32C | 20.7° | 175.0° |
| H31C | C3 | C4 | H41C | 126.9° | 180.0° |
| H31C | C3 | C4 | H42C | 113.2° | 60.0° |
| H32C | C3 | C4 | H41C | 10.1° | 60.0° |
| H32C | C3 | C4 | H42C | 130.0° | 180.0° |
| H41C | C4 | O4 | H4 | 59.9° | 60.0° |
| H42C | C4 | O4 | H4 | 60.0° | 59.9° |
