BA9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.53Å | 1.52Å | |
| O1 | C | sing | 1.43Å | 1.45Å | |
| C | C2 | sing | 1.53Å | 1.52Å | |
| C | O | sing | 1.43Å | 1.48Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O | H2 | sing | 0.97Å | 0.95Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | O1 | 107.1° | 109.5° |
| C1 | C | C2 | 106.8° | 109.5° |
| C1 | C | O | 111.3° | 109.5° |
| C | C1 | H6 | 109.5° | 109.5° |
| C | C1 | H7 | 109.5° | 109.5° |
| C | C1 | H8 | 109.5° | 109.5° |
| O1 | C | C2 | 106.7° | 109.5° |
| O1 | C | O | 113.9° | 109.5° |
| C | O1 | H1 | 109.5° | 114.0° |
| C2 | C | O | 110.7° | 109.5° |
| C | C2 | H3 | 109.5° | 109.5° |
| C | C2 | H4 | 109.5° | 109.5° |
| C | C2 | H5 | 109.5° | 109.5° |
| C | O | H2 | 109.5° | 114.0° |
| H3 | C2 | H4 | 109.4° | 109.4° |
| H3 | C2 | H5 | 109.4° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | O1 | C2 | 114.1° | 120.0° |
| C1 | C | O1 | O | 123.5° | 120.0° |
| C1 | C | C2 | O | 121.3° | 120.0° |
| C1 | C | O1 | H1 | 180.0° | 60.0° |
| C1 | C | O | H2 | 180.0° | 60.0° |
| C1 | C | C2 | H3 | 180.0° | 60.0° |
| C1 | C | C2 | H4 | 60.0° | 60.0° |
| C1 | C | C2 | H5 | 60.0° | 180.0° |
| C | C1 | H6 | H7 | 120.0° | 120.0° |
| C | C1 | H6 | H8 | 120.0° | 120.0° |
| C | C1 | H7 | H8 | 120.0° | 120.0° |
| O1 | C | C2 | O | 124.4° | 120.0° |
| O1 | C | O | H2 | 58.8° | 180.0° |
| O1 | C | C2 | H3 | 65.7° | 60.0° |
| O1 | C | C2 | H4 | 174.3° | 180.0° |
| O1 | C | C2 | H5 | 54.3° | 60.0° |
| O1 | C | C1 | H6 | 180.0° | 60.0° |
| O1 | C | C1 | H7 | 60.0° | 180.0° |
| O1 | C | C1 | H8 | 60.0° | 60.0° |
| C2 | C | O1 | H1 | 65.9° | 60.0° |
| C2 | C | O | H2 | 61.4° | 60.0° |
| C | C2 | H3 | H4 | 120.0° | 120.0° |
| C | C2 | H3 | H5 | 120.0° | 120.0° |
| C | C2 | H4 | H5 | 120.0° | 120.0° |
| C2 | C | C1 | H6 | 65.9° | 180.0° |
| C2 | C | C1 | H7 | 174.0° | 60.0° |
| C2 | C | C1 | H8 | 54.1° | 60.0° |
| O | C | O1 | H1 | 56.5° | 180.0° |
| O | C | C2 | H3 | 58.7° | 180.0° |
| O | C | C2 | H4 | 61.3° | 60.0° |
| O | C | C2 | H5 | 178.7° | 60.0° |
| O | C | C1 | H6 | 55.0° | 60.0° |
| O | C | C1 | H7 | 65.1° | 60.0° |
| O | C | C1 | H8 | 175.0° | 180.0° |
| H3 | C2 | H4 | H5 | 119.9° | 120.0° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
