MA1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | S1 | sing | 1.81Å | 1.82Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| 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 | 1.83Å | |
| 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 | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| S1 | HS1 | sing | 1.34Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| S4 | HS4 | sing | 1.35Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | S1 | 109.7° | 109.4° |
| C2 | C1 | O5 | 109.2° | 109.8° |
| C2 | C1 | H1 | 108.8° | 109.4° |
| C1 | C2 | C3 | 111.3° | 109.0° |
| C1 | C2 | O2 | 110.0° | 109.6° |
| C1 | C2 | H2 | 107.7° | 109.6° |
| S1 | C1 | O5 | 107.5° | 109.5° |
| S1 | C1 | H1 | 110.5° | 109.4° |
| C1 | S1 | HS1 | 109.8° | 100.0° |
| O5 | C1 | H1 | 111.0° | 109.4° |
| C1 | O5 | C5 | 113.2° | 107.6° |
| C3 | C2 | O2 | 109.0° | 109.6° |
| C3 | C2 | H2 | 108.8° | 109.6° |
| C2 | C3 | C4 | 110.6° | 108.6° |
| C2 | C3 | O3 | 109.5° | 109.6° |
| C2 | C3 | H3 | 108.9° | 109.6° |
| O2 | C2 | H2 | 110.1° | 109.5° |
| C2 | O2 | HO2 | 110.0° | 106.8° |
| C4 | C3 | O3 | 110.0° | 109.7° |
| C4 | C3 | H3 | 108.3° | 109.7° |
| C3 | C4 | C5 | 109.3° | 109.0° |
| C3 | C4 | S4 | 112.0° | 109.6° |
| C3 | C4 | H4 | 107.7° | 109.6° |
| O3 | C3 | H3 | 109.5° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 106.8° |
| C5 | C4 | S4 | 109.2° | 109.5° |
| C5 | C4 | H4 | 110.6° | 109.7° |
| C4 | C5 | C6 | 112.2° | 109.4° |
| C4 | C5 | O5 | 110.5° | 109.7° |
| C4 | C5 | H5 | 106.3° | 109.5° |
| S4 | C4 | H4 | 107.9° | 109.5° |
| C4 | S4 | HS4 | 112.0° | 100.0° |
| C6 | C5 | O5 | 107.7° | 109.4° |
| C6 | C5 | H5 | 109.2° | 109.4° |
| C5 | C6 | O6 | 111.4° | 109.5° |
| C5 | C6 | H61 | 111.5° | 109.5° |
| C5 | C6 | H62 | 111.5° | 109.5° |
| O5 | C5 | H5 | 110.9° | 109.4° |
| O6 | C6 | H61 | 111.5° | 109.4° |
| O6 | C6 | H62 | 111.5° | 109.4° |
| C6 | O6 | HO6 | 111.4° | 106.8° |
| H61 | C6 | H62 | 98.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | S1 | O5 | 118.7° | 120.3° |
| C2 | C1 | S1 | H1 | 120.0° | 119.8° |
| C2 | C1 | O5 | H1 | 120.0° | 120.1° |
| C1 | C2 | C3 | O2 | 121.5° | 119.9° |
| C1 | C2 | C3 | H2 | 118.5° | 119.9° |
| C1 | C2 | O2 | H2 | 118.5° | 120.2° |
| C1 | C2 | C3 | C4 | 52.9° | 53.8° |
| C1 | C2 | C3 | O3 | 174.3° | 173.7° |
| C1 | C2 | C3 | H3 | 66.0° | 66.1° |
| C2 | C1 | O5 | C5 | 60.3° | 67.6° |
| C2 | C1 | S1 | HS1 | 180.0° | 179.7° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| S1 | C1 | O5 | H1 | 120.9° | 119.9° |
| S1 | C1 | C2 | C3 | 62.8° | 58.8° |
| S1 | C1 | C2 | O2 | 58.1° | 61.1° |
| S1 | C1 | C2 | H2 | 178.1° | 178.7° |
| S1 | C1 | O5 | C5 | 58.8° | 52.5° |
| O5 | C1 | C2 | C3 | 54.9° | 61.3° |
| O5 | C1 | C2 | O2 | 175.8° | 178.8° |
| O5 | C1 | C2 | H2 | 64.3° | 58.6° |
| C1 | O5 | C5 | C4 | 62.5° | 67.7° |
| C1 | O5 | C5 | C6 | 174.7° | 172.3° |
| C1 | O5 | C5 | H5 | 55.2° | 52.4° |
| O5 | C1 | S1 | HS1 | 61.3° | 60.0° |
| H1 | C1 | C2 | C3 | 176.3° | 178.7° |
| H1 | C1 | C2 | O2 | 62.9° | 58.7° |
| H1 | C1 | C2 | H2 | 57.1° | 61.4° |
| H1 | C1 | O5 | C5 | 179.7° | 172.3° |
| H1 | C1 | S1 | HS1 | 60.0° | 59.9° |
| C3 | C2 | O2 | H2 | 119.2° | 120.2° |
| C2 | C3 | C4 | O3 | 121.1° | 119.8° |
| C2 | C3 | C4 | H3 | 119.2° | 119.8° |
| C2 | C3 | O3 | H3 | 119.3° | 120.3° |
| C2 | C3 | C4 | C5 | 53.1° | 53.8° |
| C2 | C3 | C4 | S4 | 174.4° | 173.7° |
| C2 | C3 | C4 | H4 | 67.1° | 66.2° |
| C3 | C2 | O2 | HO2 | 57.7° | 179.6° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| O2 | C2 | C3 | C4 | 174.4° | 173.7° |
| O2 | C2 | C3 | O3 | 64.2° | 66.4° |
| O2 | C2 | C3 | H3 | 55.5° | 53.9° |
| H2 | C2 | C3 | C4 | 65.6° | 66.1° |
| H2 | C2 | C3 | O3 | 55.9° | 53.8° |
| H2 | C2 | C3 | H3 | 175.5° | 174.0° |
| H2 | C2 | O2 | HO2 | 61.5° | 60.2° |
| C4 | C3 | O3 | H3 | 118.9° | 120.5° |
| C3 | C4 | C5 | S4 | 122.9° | 119.9° |
| C3 | C4 | C5 | H4 | 118.5° | 120.0° |
| C3 | C4 | S4 | H4 | 118.4° | 120.2° |
| C3 | C4 | C5 | C6 | 177.3° | 178.6° |
| C3 | C4 | C5 | O5 | 57.1° | 61.4° |
| C3 | C4 | C5 | H5 | 63.4° | 58.7° |
| C4 | C3 | O3 | HO3 | 58.3° | 179.2° |
| C3 | C4 | S4 | HS4 | 180.0° | 60.0° |
| O3 | C3 | C4 | C5 | 174.3° | 173.7° |
| O3 | C3 | C4 | S4 | 64.5° | 66.5° |
| O3 | C3 | C4 | H4 | 54.0° | 53.6° |
| H3 | C3 | C4 | C5 | 66.1° | 65.9° |
| H3 | C3 | C4 | S4 | 55.1° | 53.9° |
| H3 | C3 | C4 | H4 | 173.6° | 174.0° |
| H3 | C3 | O3 | HO3 | 60.7° | 60.3° |
| C5 | C4 | S4 | H4 | 120.3° | 120.3° |
| C4 | C5 | C6 | O5 | 121.8° | 120.3° |
| C4 | C5 | C6 | H5 | 117.6° | 119.9° |
| C4 | C5 | O5 | H5 | 117.7° | 120.1° |
| C4 | C5 | C6 | O6 | 170.0° | 179.9° |
| C4 | C5 | C6 | H61 | 44.8° | 60.1° |
| C4 | C5 | C6 | H62 | 64.7° | 59.9° |
| C5 | C4 | S4 | HS4 | 58.7° | 179.5° |
| S4 | C4 | C5 | C6 | 59.9° | 58.7° |
| S4 | C4 | C5 | O5 | 180.0° | 178.8° |
| S4 | C4 | C5 | H5 | 59.5° | 61.2° |
| H4 | C4 | C5 | C6 | 58.8° | 61.5° |
| H4 | C4 | C5 | O5 | 61.4° | 58.6° |
| H4 | C4 | C5 | H5 | 178.1° | 178.6° |
| H4 | C4 | S4 | HS4 | 61.6° | 60.2° |
| C6 | C5 | O5 | H5 | 119.5° | 119.9° |
| C5 | C6 | O6 | H61 | 125.2° | 120.0° |
| C5 | C6 | O6 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 117.4° | 120.1° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 68.2° | 59.8° |
| O5 | C5 | C6 | H61 | 166.6° | 60.1° |
| O5 | C5 | C6 | H62 | 57.1° | 179.8° |
| H5 | C5 | C6 | O6 | 52.4° | 60.0° |
| H5 | C5 | C6 | H61 | 72.9° | 179.9° |
| H5 | C5 | C6 | H62 | 177.6° | 60.0° |
| O6 | C6 | H61 | H62 | 117.4° | 119.9° |
| H61 | C6 | O6 | HO6 | 54.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 54.8° | 60.0° |
