MA2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.82Å | |
| C1 | O5 | sing | 1.42Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | S4 | sing | 1.81Å | 1.84Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | S4 | sing | 1.81Å | 1.83Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C7 | H73 | 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 | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 111.5° | 109.3° |
| C2 | C1 | O5 | 109.9° | 109.9° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C1 | C2 | C3 | 110.5° | 109.1° |
| C1 | C2 | O2 | 109.6° | 109.6° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| O1 | C1 | O5 | 112.0° | 109.4° |
| O1 | C1 | H1 | 106.4° | 109.4° |
| C1 | O1 | HO1 | 111.5° | 106.7° |
| O5 | C1 | H1 | 108.1° | 109.4° |
| C1 | O5 | C5 | 113.9° | 107.6° |
| C3 | C2 | O2 | 109.5° | 109.6° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C2 | C3 | C4 | 110.2° | 108.6° |
| C2 | C3 | O3 | 109.8° | 109.6° |
| C2 | C3 | H3 | 108.8° | 109.6° |
| O2 | C2 | H2 | 109.6° | 109.5° |
| C2 | O2 | HO2 | 109.7° | 106.8° |
| C4 | C3 | O3 | 109.7° | 109.9° |
| C4 | C3 | H3 | 108.9° | 109.5° |
| C3 | C4 | C5 | 108.4° | 109.1° |
| C3 | C4 | S4 | 113.3° | 109.5° |
| C3 | C4 | H4 | 108.5° | 109.5° |
| O3 | C3 | H3 | 109.4° | 109.6° |
| C3 | O3 | HO3 | 109.8° | 106.8° |
| C5 | C4 | S4 | 112.1° | 109.6° |
| C5 | C4 | H4 | 109.8° | 109.6° |
| C4 | C5 | C6 | 113.6° | 109.4° |
| C4 | C5 | O5 | 109.5° | 109.8° |
| C4 | C5 | H5 | 106.0° | 109.4° |
| S4 | C4 | H4 | 104.6° | 109.6° |
| C4 | S4 | C7 | 102.6° | 100.0° |
| C6 | C5 | O5 | 107.3° | 109.4° |
| C6 | C5 | H5 | 108.2° | 109.4° |
| C5 | C6 | O6 | 111.1° | 109.5° |
| C5 | C6 | H61 | 111.6° | 109.5° |
| C5 | C6 | H62 | 111.6° | 109.5° |
| O5 | C5 | H5 | 112.4° | 109.4° |
| O6 | C6 | H61 | 111.6° | 109.5° |
| O6 | C6 | H62 | 111.6° | 109.5° |
| C6 | O6 | HO6 | 111.1° | 106.8° |
| H61 | C6 | H62 | 98.8° | 109.4° |
| S4 | C7 | H71 | 102.6° | 109.4° |
| S4 | C7 | H72 | 114.9° | 109.5° |
| S4 | C7 | H73 | 114.9° | 109.5° |
| H71 | C7 | H72 | 114.9° | 109.4° |
| H71 | C7 | H73 | 114.8° | 109.5° |
| H72 | C7 | H73 | 95.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O5 | 123.7° | 120.3° |
| C2 | C1 | O1 | H1 | 118.3° | 119.9° |
| C2 | C1 | O5 | H1 | 118.5° | 120.2° |
| C1 | C2 | C3 | O2 | 120.8° | 120.1° |
| C1 | C2 | C3 | H2 | 119.3° | 119.8° |
| C1 | C2 | O2 | H2 | 119.3° | 120.1° |
| C1 | C2 | C3 | C4 | 53.9° | 53.5° |
| C1 | C2 | C3 | O3 | 174.8° | 173.6° |
| C1 | C2 | C3 | H3 | 65.5° | 66.0° |
| C2 | C1 | O5 | C5 | 60.1° | 67.5° |
| C2 | C1 | O1 | HO1 | 180.0° | 179.7° |
| C1 | C2 | O2 | HO2 | 180.0° | 59.8° |
| O1 | C1 | O5 | H1 | 116.9° | 119.8° |
| O1 | C1 | C2 | C3 | 70.6° | 58.9° |
| O1 | C1 | C2 | O2 | 50.2° | 61.2° |
| O1 | C1 | C2 | H2 | 170.1° | 178.7° |
| O1 | C1 | O5 | C5 | 64.5° | 52.4° |
| O5 | C1 | C2 | C3 | 54.3° | 61.1° |
| O5 | C1 | C2 | O2 | 175.1° | 178.8° |
| O5 | C1 | C2 | H2 | 65.0° | 58.7° |
| C1 | O5 | C5 | C4 | 62.9° | 67.6° |
| C1 | O5 | C5 | C6 | 173.4° | 172.4° |
| C1 | O5 | C5 | H5 | 54.6° | 52.5° |
| O5 | C1 | O1 | HO1 | 56.3° | 60.0° |
| H1 | C1 | C2 | C3 | 172.5° | 178.7° |
| H1 | C1 | C2 | O2 | 66.7° | 58.6° |
| H1 | C1 | C2 | H2 | 53.1° | 61.5° |
| H1 | C1 | O5 | C5 | 178.6° | 172.2° |
| H1 | C1 | O1 | HO1 | 61.7° | 59.8° |
| C3 | C2 | O2 | H2 | 119.3° | 120.1° |
| C2 | C3 | C4 | O3 | 121.0° | 119.9° |
| C2 | C3 | C4 | H3 | 119.3° | 119.7° |
| C2 | C3 | O3 | H3 | 119.3° | 120.4° |
| C2 | C3 | C4 | C5 | 55.6° | 53.6° |
| C2 | C3 | C4 | S4 | 179.4° | 173.5° |
| C2 | C3 | C4 | H4 | 63.6° | 66.3° |
| C3 | C2 | O2 | HO2 | 58.7° | 179.6° |
| C2 | C3 | O3 | HO3 | 179.9° | 60.0° |
| O2 | C2 | C3 | C4 | 174.7° | 173.6° |
| O2 | C2 | C3 | O3 | 64.4° | 66.3° |
| O2 | C2 | C3 | H3 | 55.3° | 54.0° |
| H2 | C2 | C3 | C4 | 65.5° | 66.3° |
| H2 | C2 | C3 | O3 | 55.5° | 53.8° |
| H2 | C2 | C3 | H3 | 175.1° | 174.1° |
| H2 | C2 | O2 | HO2 | 60.7° | 60.3° |
| C4 | C3 | O3 | H3 | 119.4° | 120.3° |
| C3 | C4 | C5 | S4 | 125.7° | 119.9° |
| C3 | C4 | C5 | H4 | 118.4° | 119.9° |
| C3 | C4 | S4 | H4 | 118.0° | 120.2° |
| C3 | C4 | C5 | C6 | 178.6° | 178.8° |
| C3 | C4 | C5 | O5 | 58.7° | 61.2° |
| C3 | C4 | C5 | H5 | 62.8° | 58.9° |
| C3 | C4 | S4 | C7 | 52.5° | 62.3° |
| C4 | C3 | O3 | HO3 | 58.8° | 179.3° |
| O3 | C3 | C4 | C5 | 176.6° | 173.5° |
| O3 | C3 | C4 | S4 | 58.4° | 66.6° |
| O3 | C3 | C4 | H4 | 57.4° | 53.6° |
| H3 | C3 | C4 | C5 | 63.7° | 66.1° |
| H3 | C3 | C4 | S4 | 61.3° | 53.8° |
| H3 | C3 | C4 | H4 | 177.0° | 174.0° |
| H3 | C3 | O3 | HO3 | 60.6° | 60.4° |
| C5 | C4 | S4 | H4 | 119.0° | 120.2° |
| C4 | C5 | C6 | O5 | 121.1° | 120.3° |
| C4 | C5 | C6 | H5 | 117.4° | 119.9° |
| C4 | C5 | O5 | H5 | 117.5° | 120.1° |
| C4 | C5 | C6 | O6 | 57.8° | 180.0° |
| C4 | C5 | C6 | H61 | 176.9° | 60.0° |
| C4 | C5 | C6 | H62 | 67.5° | 60.0° |
| C5 | C4 | S4 | C7 | 70.5° | 57.4° |
| S4 | C4 | C5 | C6 | 55.7° | 58.9° |
| S4 | C4 | C5 | O5 | 175.6° | 178.9° |
| S4 | C4 | C5 | H5 | 63.0° | 61.0° |
| C4 | S4 | C7 | H71 | 180.0° | 179.1° |
| C4 | S4 | C7 | H72 | 54.7° | 61.0° |
| C4 | S4 | C7 | H73 | 54.7° | 59.1° |
| H4 | C4 | C5 | C6 | 60.2° | 61.3° |
| H4 | C4 | C5 | O5 | 59.7° | 58.7° |
| H4 | C4 | C5 | H5 | 178.8° | 178.8° |
| H4 | C4 | S4 | C7 | 170.5° | 177.6° |
| C6 | C5 | O5 | H5 | 118.8° | 119.9° |
| C5 | C6 | O6 | H61 | 125.2° | 120.0° |
| C5 | C6 | O6 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 117.5° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 63.3° | 59.7° |
| O5 | C5 | C6 | H61 | 62.0° | 179.7° |
| O5 | C5 | C6 | H62 | 171.4° | 60.3° |
| H5 | C5 | C6 | O6 | 175.2° | 60.1° |
| H5 | C5 | C6 | H61 | 59.5° | 59.9° |
| H5 | C5 | C6 | H62 | 49.9° | 179.8° |
| O6 | C6 | H61 | H62 | 117.5° | 120.0° |
| H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 54.8° | 60.0° |
| S4 | C7 | H71 | H72 | 125.3° | 119.9° |
| S4 | C7 | H71 | H73 | 125.3° | 120.0° |
| S4 | C7 | H72 | H73 | 120.7° | 120.1° |
| H71 | C7 | H72 | H73 | 120.6° | 120.0° |
