MMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C1 | O5 | sing | 1.43Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.42Å | 1.45Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | O1 | sing | 1.43Å | 1.40Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C7 | H73 | sing | 1.09Å | 1.11Å | |
| 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 | 111.3° | 109.4° |
| C2 | C1 | O5 | 108.8° | 109.7° |
| C2 | C1 | H1 | 109.4° | 109.4° |
| C1 | C2 | C3 | 108.7° | 109.1° |
| C1 | C2 | O2 | 111.8° | 109.6° |
| C1 | C2 | H2 | 108.4° | 109.5° |
| O1 | C1 | O5 | 111.5° | 109.5° |
| O1 | C1 | H1 | 106.6° | 109.4° |
| C1 | O1 | C7 | 110.8° | 106.8° |
| O5 | C1 | H1 | 109.2° | 109.4° |
| C1 | O5 | C5 | 112.6° | 107.6° |
| C3 | C2 | O2 | 109.5° | 109.6° |
| C3 | C2 | H2 | 110.8° | 109.5° |
| C2 | C3 | C4 | 107.7° | 108.6° |
| C2 | C3 | O3 | 109.9° | 109.8° |
| C2 | C3 | H3 | 110.1° | 109.6° |
| O2 | C2 | H2 | 107.6° | 109.5° |
| C2 | O2 | HO2 | 111.8° | 106.9° |
| C4 | C3 | O3 | 108.6° | 109.6° |
| C4 | C3 | H3 | 111.4° | 109.5° |
| C3 | C4 | C5 | 111.2° | 109.0° |
| C3 | C4 | O4 | 103.0° | 109.6° |
| C3 | C4 | H4 | 112.7° | 109.5° |
| O3 | C3 | H3 | 109.2° | 109.6° |
| C3 | O3 | HO3 | 110.0° | 106.8° |
| C5 | C4 | O4 | 110.0° | 109.6° |
| C5 | C4 | H4 | 106.1° | 109.5° |
| C4 | C5 | C6 | 107.0° | 109.4° |
| C4 | C5 | O5 | 108.8° | 109.9° |
| C4 | C5 | H5 | 111.2° | 109.4° |
| O4 | C4 | H4 | 113.8° | 109.5° |
| C4 | O4 | HO4 | 103.1° | 106.8° |
| C6 | C5 | O5 | 108.7° | 109.5° |
| C6 | C5 | H5 | 111.3° | 109.3° |
| C5 | C6 | O6 | 109.0° | 109.5° |
| C5 | C6 | H61 | 112.4° | 109.5° |
| C5 | C6 | H62 | 112.4° | 109.4° |
| O5 | C5 | H5 | 109.7° | 109.4° |
| O6 | C6 | H61 | 112.4° | 109.5° |
| O6 | C6 | H62 | 112.4° | 109.5° |
| C6 | O6 | HO6 | 109.0° | 106.8° |
| H61 | C6 | H62 | 98.0° | 109.4° |
| O1 | C7 | H71 | 110.7° | 109.5° |
| O1 | C7 | H72 | 111.7° | 109.5° |
| O1 | C7 | H73 | 111.7° | 109.5° |
| H71 | C7 | H72 | 111.7° | 109.5° |
| H71 | C7 | H73 | 111.8° | 109.4° |
| H72 | C7 | H73 | 98.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 121.6° | 120.2° |
| C2 | C1 | O1 | H1 | 119.2° | 119.8° |
| C2 | C1 | O5 | H1 | 119.4° | 120.0° |
| C1 | C2 | C3 | O2 | 122.4° | 120.0° |
| C1 | C2 | C3 | H2 | 119.0° | 119.8° |
| C1 | C2 | O2 | H2 | 119.0° | 120.1° |
| C1 | C2 | C3 | C4 | 58.9° | 53.7° |
| C1 | C2 | C3 | O3 | 177.1° | 173.6° |
| C1 | C2 | C3 | H3 | 62.6° | 65.9° |
| C2 | C1 | O5 | C5 | 61.7° | 67.5° |
| C2 | C1 | O1 | C7 | 178.6° | 179.9° |
| C1 | C2 | O2 | HO2 | 179.9° | 60.3° |
| O1 | C1 | O5 | H1 | 117.6° | 119.9° |
| O1 | C1 | C2 | C3 | 62.7° | 58.8° |
| O1 | C1 | C2 | O2 | 176.3° | 178.8° |
| O1 | C1 | C2 | H2 | 57.8° | 61.1° |
| O1 | C1 | O5 | C5 | 61.3° | 52.5° |
| C1 | O1 | C7 | H71 | 179.9° | 180.0° |
| C1 | O1 | C7 | H72 | 54.7° | 60.0° |
| C1 | O1 | C7 | H73 | 54.7° | 60.0° |
| O5 | C1 | C2 | C3 | 60.5° | 61.3° |
| O5 | C1 | C2 | O2 | 60.6° | 58.7° |
| O5 | C1 | C2 | H2 | 179.0° | 178.8° |
| C1 | O5 | C5 | C4 | 59.9° | 67.6° |
| C1 | O5 | C5 | C6 | 176.1° | 172.3° |
| C1 | O5 | C5 | H5 | 62.0° | 52.5° |
| O5 | C1 | O1 | C7 | 57.0° | 59.9° |
| H1 | C1 | C2 | C3 | 179.7° | 178.7° |
| H1 | C1 | C2 | O2 | 58.7° | 61.4° |
| H1 | C1 | C2 | H2 | 59.8° | 58.8° |
| H1 | C1 | O5 | C5 | 178.9° | 172.4° |
| H1 | C1 | O1 | C7 | 62.2° | 60.1° |
| C3 | C2 | O2 | H2 | 120.5° | 120.2° |
| C2 | C3 | C4 | O3 | 119.0° | 120.0° |
| C2 | C3 | C4 | H3 | 120.8° | 119.7° |
| C2 | C3 | O3 | H3 | 120.8° | 120.5° |
| C2 | C3 | C4 | C5 | 58.6° | 53.6° |
| C2 | C3 | C4 | O4 | 176.5° | 173.6° |
| C2 | C3 | C4 | H4 | 60.4° | 66.2° |
| C3 | C2 | O2 | HO2 | 59.4° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.8° |
| O2 | C2 | C3 | C4 | 63.5° | 66.3° |
| O2 | C2 | C3 | O3 | 54.6° | 53.6° |
| O2 | C2 | C3 | H3 | 174.9° | 174.1° |
| H2 | C2 | C3 | C4 | 178.0° | 173.6° |
| H2 | C2 | C3 | O3 | 63.9° | 66.6° |
| H2 | C2 | C3 | H3 | 56.4° | 53.9° |
| H2 | C2 | O2 | HO2 | 61.1° | 59.8° |
| C4 | C3 | O3 | H3 | 121.6° | 120.2° |
| C3 | C4 | C5 | O4 | 113.5° | 120.0° |
| C3 | C4 | C5 | H4 | 122.9° | 119.8° |
| C3 | C4 | O4 | H4 | 122.4° | 120.2° |
| C3 | C4 | C5 | C6 | 175.4° | 178.6° |
| C3 | C4 | C5 | O5 | 58.1° | 61.2° |
| C3 | C4 | C5 | H5 | 62.8° | 58.9° |
| C4 | C3 | O3 | HO3 | 62.4° | 179.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.4° |
| O3 | C3 | C4 | C5 | 177.6° | 173.6° |
| O3 | C3 | C4 | O4 | 64.5° | 66.4° |
| O3 | C3 | C4 | H4 | 58.6° | 53.8° |
| H3 | C3 | C4 | C5 | 62.1° | 66.1° |
| H3 | C3 | C4 | O4 | 55.7° | 53.9° |
| H3 | C3 | C4 | H4 | 178.8° | 174.1° |
| H3 | C3 | O3 | HO3 | 59.1° | 59.7° |
| C5 | C4 | O4 | H4 | 118.9° | 120.2° |
| C4 | C5 | C6 | O5 | 117.4° | 120.4° |
| C4 | C5 | C6 | H5 | 121.8° | 119.7° |
| C4 | C5 | O5 | H5 | 121.9° | 120.1° |
| C4 | C5 | C6 | O6 | 68.2° | 179.7° |
| C4 | C5 | C6 | H61 | 166.5° | 59.6° |
| C4 | C5 | C6 | H62 | 57.1° | 60.4° |
| C5 | C4 | O4 | HO4 | 61.3° | 180.0° |
| O4 | C4 | C5 | C6 | 71.1° | 58.6° |
| O4 | C4 | C5 | O5 | 171.6° | 178.8° |
| O4 | C4 | C5 | H5 | 50.7° | 61.1° |
| H4 | C4 | C5 | C6 | 52.5° | 61.5° |
| H4 | C4 | C5 | O5 | 64.8° | 58.6° |
| H4 | C4 | C5 | H5 | 174.3° | 178.8° |
| H4 | C4 | O4 | HO4 | 57.6° | 59.8° |
| C6 | C5 | O5 | H5 | 121.9° | 119.8° |
| C5 | C6 | O6 | H61 | 125.3° | 120.1° |
| C5 | C6 | O6 | H62 | 125.3° | 119.9° |
| C5 | C6 | H61 | H62 | 118.3° | 119.9° |
| C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
| O5 | C5 | C6 | O6 | 49.2° | 59.9° |
| O5 | C5 | C6 | H61 | 76.1° | 180.0° |
| O5 | C5 | C6 | H62 | 174.5° | 60.0° |
| H5 | C5 | C6 | O6 | 170.1° | 59.9° |
| H5 | C5 | C6 | H61 | 44.8° | 60.2° |
| H5 | C5 | C6 | H62 | 64.7° | 179.9° |
| O6 | C6 | H61 | H62 | 118.3° | 120.0° |
| H61 | C6 | O6 | HO6 | 54.7° | 59.9° |
| H62 | C6 | O6 | HO6 | 54.7° | 60.0° |
| O1 | C7 | H71 | H72 | 125.2° | 120.1° |
| O1 | C7 | H71 | H73 | 125.3° | 120.0° |
| O1 | C7 | H72 | H73 | 117.6° | 120.1° |
| H71 | C7 | H72 | H73 | 117.7° | 119.9° |
