BMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | O2 | sing | 1.43Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.64Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.66Å | |
| C4 | O4 | sing | 1.43Å | 1.46Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.60Å | |
| C5 | O5 | sing | 1.43Å | 1.46Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.43Å | 1.48Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| 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) |
| C2 | C1 | O1 | 108.7° | 109.4° |
| C2 | C1 | O5 | 111.0° | 109.8° |
| C2 | C1 | H1 | 108.3° | 109.4° |
| C1 | C2 | C3 | 105.5° | 109.0° |
| C1 | C2 | O2 | 114.9° | 109.6° |
| C1 | C2 | H2 | 110.1° | 109.5° |
| O1 | C1 | O5 | 107.2° | 109.4° |
| O1 | C1 | H1 | 112.0° | 109.4° |
| C1 | O1 | HO1 | 108.7° | 106.8° |
| O5 | C1 | H1 | 109.7° | 109.4° |
| C1 | O5 | C5 | 114.4° | 107.7° |
| C3 | C2 | O2 | 113.6° | 109.7° |
| C3 | C2 | H2 | 111.5° | 109.5° |
| C2 | C3 | C4 | 113.6° | 108.6° |
| C2 | C3 | O3 | 113.1° | 109.6° |
| C2 | C3 | H3 | 103.6° | 109.6° |
| O2 | C2 | H2 | 101.3° | 109.5° |
| C2 | O2 | HO2 | 114.9° | 106.9° |
| C4 | C3 | O3 | 108.8° | 109.7° |
| C4 | C3 | H3 | 108.4° | 109.7° |
| C3 | C4 | C5 | 114.5° | 109.0° |
| C3 | C4 | O4 | 111.0° | 109.6° |
| C3 | C4 | H4 | 104.3° | 109.6° |
| O3 | C3 | H3 | 109.0° | 109.6° |
| C3 | O3 | HO3 | 113.0° | 106.8° |
| C5 | C4 | O4 | 107.9° | 109.6° |
| C5 | C4 | H4 | 107.7° | 109.6° |
| C4 | C5 | C6 | 118.6° | 109.4° |
| C4 | C5 | O5 | 111.4° | 109.8° |
| C4 | C5 | H5 | 100.1° | 109.4° |
| O4 | C4 | H4 | 111.4° | 109.5° |
| C4 | O4 | HO4 | 111.0° | 106.9° |
| C6 | C5 | O5 | 104.7° | 109.4° |
| C6 | C5 | H5 | 107.4° | 109.4° |
| C5 | C6 | O6 | 113.5° | 109.5° |
| C5 | C6 | H61 | 110.7° | 109.5° |
| C5 | C6 | H62 | 110.7° | 109.5° |
| O5 | C5 | H5 | 115.2° | 109.4° |
| O6 | C6 | H61 | 110.8° | 109.5° |
| O6 | C6 | H62 | 110.8° | 109.4° |
| C6 | O6 | HO6 | 113.5° | 106.8° |
| H61 | C6 | H62 | 99.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 120.0° | 120.3° |
| C2 | C1 | O1 | H1 | 119.6° | 119.8° |
| C2 | C1 | O5 | H1 | 119.6° | 120.1° |
| C1 | C2 | C3 | O2 | 126.8° | 120.0° |
| C1 | C2 | C3 | H2 | 119.5° | 119.8° |
| C1 | C2 | O2 | H2 | 118.6° | 120.1° |
| C1 | C2 | C3 | C4 | 20.7° | 53.8° |
| C1 | C2 | C3 | O3 | 145.4° | 173.7° |
| C1 | C2 | C3 | H3 | 96.8° | 66.0° |
| C2 | C1 | O5 | C5 | 69.8° | 67.5° |
| C2 | C1 | O1 | HO1 | 180.0° | 179.7° |
| C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
| O1 | C1 | O5 | H1 | 121.8° | 119.8° |
| O1 | C1 | C2 | C3 | 170.1° | 178.6° |
| O1 | C1 | C2 | O2 | 63.9° | 61.3° |
| O1 | C1 | C2 | H2 | 49.7° | 58.8° |
| O1 | C1 | O5 | C5 | 171.6° | 172.4° |
| O5 | C1 | C2 | C3 | 72.2° | 61.2° |
| O5 | C1 | C2 | O2 | 53.8° | 58.8° |
| O5 | C1 | C2 | H2 | 167.3° | 178.9° |
| C1 | O5 | C5 | C4 | 12.8° | 67.6° |
| C1 | O5 | C5 | C6 | 142.0° | 172.3° |
| C1 | O5 | C5 | H5 | 100.3° | 52.5° |
| O5 | C1 | O1 | HO1 | 59.9° | 60.0° |
| H1 | C1 | C2 | C3 | 48.2° | 58.8° |
| H1 | C1 | C2 | O2 | 174.2° | 178.9° |
| H1 | C1 | C2 | H2 | 72.2° | 61.0° |
| H1 | C1 | O5 | C5 | 49.8° | 52.5° |
| H1 | C1 | O1 | HO1 | 60.4° | 59.9° |
| C3 | C2 | O2 | H2 | 119.7° | 120.2° |
| C2 | C3 | C4 | O3 | 127.0° | 119.8° |
| C2 | C3 | C4 | H3 | 114.6° | 119.7° |
| C2 | C3 | O3 | H3 | 114.7° | 120.3° |
| C2 | C3 | C4 | C5 | 26.8° | 53.8° |
| C2 | C3 | C4 | O4 | 95.6° | 173.7° |
| C2 | C3 | C4 | H4 | 144.3° | 66.1° |
| C3 | C2 | O2 | HO2 | 58.4° | 179.5° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| O2 | C2 | C3 | C4 | 106.1° | 66.2° |
| O2 | C2 | C3 | O3 | 18.6° | 53.7° |
| O2 | C2 | C3 | H3 | 136.4° | 174.0° |
| H2 | C2 | C3 | C4 | 140.2° | 173.6° |
| H2 | C2 | C3 | O3 | 95.1° | 66.5° |
| H2 | C2 | C3 | H3 | 22.7° | 53.8° |
| H2 | C2 | O2 | HO2 | 61.4° | 60.2° |
| C4 | C3 | O3 | H3 | 118.1° | 120.5° |
| C3 | C4 | C5 | O4 | 124.1° | 119.9° |
| C3 | C4 | C5 | H4 | 115.5° | 119.9° |
| C3 | C4 | O4 | H4 | 115.8° | 120.2° |
| C3 | C4 | C5 | C6 | 88.4° | 178.6° |
| C3 | C4 | C5 | O5 | 33.1° | 61.3° |
| C3 | C4 | C5 | H5 | 155.3° | 58.7° |
| C4 | C3 | O3 | HO3 | 52.7° | 179.2° |
| C3 | C4 | O4 | HO4 | 180.0° | 59.9° |
| O3 | C3 | C4 | C5 | 100.1° | 173.6° |
| O3 | C3 | C4 | O4 | 137.5° | 66.5° |
| O3 | C3 | C4 | H4 | 17.4° | 53.7° |
| H3 | C3 | C4 | C5 | 141.5° | 65.9° |
| H3 | C3 | C4 | O4 | 19.0° | 54.0° |
| H3 | C3 | C4 | H4 | 101.0° | 174.1° |
| H3 | C3 | O3 | HO3 | 65.4° | 60.3° |
| C5 | C4 | O4 | H4 | 118.0° | 120.2° |
| C4 | C5 | C6 | O5 | 124.8° | 120.3° |
| C4 | C5 | C6 | H5 | 112.3° | 119.8° |
| C4 | C5 | O5 | H5 | 113.1° | 120.1° |
| C4 | C5 | C6 | O6 | 114.8° | 179.8° |
| C4 | C5 | C6 | H61 | 10.5° | 60.2° |
| C4 | C5 | C6 | H62 | 119.9° | 59.9° |
| C5 | C4 | O4 | HO4 | 53.9° | 179.4° |
| O4 | C4 | C5 | C6 | 147.5° | 58.7° |
| O4 | C4 | C5 | O5 | 91.0° | 178.8° |
| O4 | C4 | C5 | H5 | 31.2° | 61.2° |
| H4 | C4 | C5 | C6 | 27.2° | 61.5° |
| H4 | C4 | C5 | O5 | 148.6° | 58.6° |
| H4 | C4 | C5 | H5 | 89.1° | 178.7° |
| H4 | C4 | O4 | HO4 | 64.2° | 60.3° |
| C6 | C5 | O5 | H5 | 117.6° | 119.8° |
| C5 | C6 | O6 | H61 | 125.2° | 120.0° |
| C5 | C6 | O6 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 116.5° | 120.1° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 120.4° | 59.9° |
| O5 | C5 | C6 | H61 | 114.3° | 60.1° |
| O5 | C5 | C6 | H62 | 4.9° | 179.8° |
| H5 | C5 | C6 | O6 | 2.5° | 60.0° |
| H5 | C5 | C6 | H61 | 122.8° | 180.0° |
| H5 | C5 | C6 | H62 | 127.8° | 59.9° |
| O6 | C6 | H61 | H62 | 116.7° | 119.9° |
| H61 | C6 | O6 | HO6 | 54.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 54.7° | 60.0° |
