A1APB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | S1 | doub | 1.42Å | 1.52Å | |
| O8 | S1 | doub | 1.42Å | 1.53Å | |
| S1 | O2 | sing | 1.52Å | 1.68Å | |
| S1 | O9 | sing | 1.52Å | 1.52Å | |
| O2 | C2 | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | O5 | sing | 1.43Å | 1.49Å | |
| O3 | C3 | sing | 1.43Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| O5 | C5 | sing | 1.43Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| O6 | C6 | sing | 1.43Å | 1.41Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O9 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | S1 | O8 | 100.0° | 123.2° |
| O7 | S1 | O2 | 102.5° | 106.4° |
| O7 | S1 | O9 | 111.6° | 106.4° |
| O8 | S1 | O2 | 114.9° | 106.4° |
| O8 | S1 | O9 | 109.5° | 106.3° |
| O2 | S1 | O9 | 116.8° | 107.2° |
| S1 | O2 | C2 | 125.2° | 114.0° |
| S1 | O9 | H6 | 109.5° | 114.0° |
| O2 | C2 | C1 | 114.5° | 109.5° |
| O2 | C2 | C3 | 104.2° | 109.5° |
| O2 | C2 | H2 | 110.2° | 109.6° |
| C2 | C1 | O5 | 112.5° | 109.4° |
| C1 | C2 | C3 | 109.6° | 109.2° |
| C2 | C1 | O1 | 112.0° | 109.5° |
| C2 | C1 | H1 | 106.8° | 109.5° |
| C1 | C2 | H2 | 108.6° | 109.5° |
| C1 | O5 | C5 | 114.8° | 114.1° |
| O5 | C1 | O1 | 108.9° | 109.5° |
| O5 | C1 | H1 | 107.8° | 109.5° |
| O3 | C3 | C2 | 111.8° | 109.6° |
| O3 | C3 | C4 | 116.3° | 109.5° |
| O3 | C3 | H3 | 104.5° | 109.7° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C2 | C3 | C4 | 113.6° | 109.0° |
| C3 | C2 | H2 | 109.6° | 109.5° |
| C2 | C3 | H3 | 104.6° | 109.5° |
| C3 | C4 | C5 | 108.8° | 109.2° |
| C3 | C4 | O4 | 112.9° | 109.6° |
| C4 | C3 | H3 | 104.6° | 109.5° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| O5 | C5 | C4 | 108.5° | 109.4° |
| O5 | C5 | C6 | 111.2° | 109.5° |
| O5 | C5 | H5 | 108.7° | 109.5° |
| C4 | C5 | C6 | 111.3° | 109.5° |
| C5 | C4 | O4 | 106.7° | 109.5° |
| C5 | C4 | H4 | 108.9° | 109.5° |
| C4 | C5 | H5 | 108.4° | 109.5° |
| C5 | C6 | O6 | 113.5° | 109.5° |
| C6 | C5 | H5 | 108.7° | 109.5° |
| C5 | C6 | H61 | 108.4° | 109.5° |
| C5 | C6 | H62 | 108.4° | 109.4° |
| O4 | C4 | H4 | 110.1° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O6 | C6 | H61 | 108.5° | 109.5° |
| O6 | C6 | H62 | 108.5° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O1 | C1 | H1 | 108.7° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | S1 | O8 | O2 | 108.9° | 123.0° |
| O7 | S1 | O8 | O9 | 117.3° | 122.9° |
| O7 | S1 | O2 | O9 | 122.3° | 113.6° |
| O7 | S1 | O2 | C2 | 126.2° | 38.5° |
| O7 | S1 | O9 | H6 | 109.8° | 66.4° |
| O8 | S1 | O2 | O9 | 130.3° | 113.5° |
| O8 | S1 | O2 | C2 | 126.4° | 171.5° |
| O8 | S1 | O9 | H6 | 0.0° | 66.5° |
| S1 | O2 | C2 | C1 | 77.3° | 95.0° |
| S1 | O2 | C2 | C3 | 163.0° | 145.3° |
| S1 | O2 | C2 | H2 | 45.5° | 25.2° |
| O2 | S1 | O9 | H6 | 132.8° | 180.0° |
| O9 | S1 | O2 | C2 | 4.0° | 75.0° |
| O2 | C2 | C1 | C3 | 116.7° | 119.9° |
| O2 | C2 | C1 | H2 | 123.7° | 120.2° |
| O2 | C2 | C1 | O5 | 164.3° | 177.5° |
| O2 | C2 | C3 | O3 | 48.0° | 63.2° |
| O2 | C2 | C3 | H2 | 117.9° | 120.2° |
| O2 | C2 | C3 | C4 | 178.0° | 176.9° |
| O2 | C2 | C1 | O1 | 72.6° | 62.5° |
| O2 | C2 | C1 | H1 | 46.3° | 57.6° |
| O2 | C2 | C3 | H3 | 64.5° | 57.1° |
| C2 | C1 | O5 | O1 | 124.8° | 120.0° |
| C2 | C1 | O5 | H1 | 117.5° | 120.0° |
| C1 | C2 | C3 | O3 | 171.0° | 176.9° |
| C1 | C2 | C3 | H2 | 119.1° | 119.9° |
| C1 | C2 | C3 | C4 | 55.0° | 57.0° |
| C2 | C1 | O5 | C5 | 50.3° | 61.1° |
| C2 | C1 | O1 | H1 | 117.8° | 120.1° |
| C1 | C2 | C3 | H3 | 58.5° | 62.8° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| O5 | C1 | C2 | C3 | 47.7° | 57.6° |
| C1 | O5 | C5 | C4 | 55.6° | 61.1° |
| C1 | O5 | C5 | C6 | 178.3° | 178.9° |
| O5 | C1 | O1 | H1 | 117.2° | 120.0° |
| O5 | C1 | C2 | H2 | 72.0° | 62.3° |
| C1 | O5 | C5 | H5 | 62.1° | 58.9° |
| O5 | C1 | O1 | HO1 | 55.0° | 60.1° |
| O3 | C3 | C2 | C4 | 134.1° | 119.9° |
| O3 | C3 | C2 | H3 | 112.5° | 120.3° |
| O3 | C3 | C4 | H3 | 114.7° | 120.3° |
| O3 | C3 | C4 | C5 | 166.2° | 176.9° |
| O3 | C3 | C4 | O4 | 75.5° | 56.9° |
| O3 | C3 | C2 | H2 | 70.0° | 56.9° |
| O3 | C3 | C4 | H4 | 47.4° | 63.2° |
| C2 | C3 | C4 | H3 | 113.4° | 119.8° |
| C2 | C3 | C4 | C5 | 61.9° | 57.0° |
| C2 | C3 | C4 | O4 | 56.4° | 62.9° |
| C3 | C2 | C1 | O1 | 170.7° | 177.6° |
| C3 | C2 | C1 | H1 | 70.4° | 62.4° |
| C2 | C3 | C4 | H4 | 179.3° | 176.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C3 | C4 | C5 | O5 | 58.8° | 57.6° |
| C3 | C4 | C5 | O4 | 122.1° | 119.9° |
| C3 | C4 | C5 | H4 | 119.1° | 120.0° |
| C3 | C4 | C5 | C6 | 178.5° | 177.6° |
| C3 | C4 | O4 | H4 | 122.5° | 120.2° |
| C4 | C3 | C2 | H2 | 64.1° | 62.9° |
| C3 | C4 | C5 | H5 | 59.0° | 62.4° |
| C4 | C3 | O3 | HO3 | 47.3° | 60.5° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| O5 | C5 | C4 | C6 | 122.7° | 120.0° |
| O5 | C5 | C4 | H5 | 117.8° | 120.0° |
| O5 | C5 | C6 | H5 | 119.6° | 120.0° |
| O5 | C5 | C4 | O4 | 63.3° | 62.3° |
| O5 | C5 | C6 | O6 | 125.2° | 65.1° |
| C5 | O5 | C1 | O1 | 175.1° | 178.9° |
| C5 | O5 | C1 | H1 | 67.2° | 58.8° |
| O5 | C5 | C4 | H4 | 177.9° | 177.6° |
| O5 | C5 | C6 | H61 | 114.2° | 174.9° |
| O5 | C5 | C6 | H62 | 4.6° | 55.0° |
| C4 | C5 | C6 | H5 | 119.3° | 120.0° |
| C5 | C4 | O4 | H4 | 118.0° | 120.1° |
| C4 | C5 | C6 | O6 | 113.7° | 175.0° |
| C5 | C4 | C3 | H3 | 51.5° | 62.8° |
| C4 | C5 | C6 | H61 | 6.9° | 55.0° |
| C4 | C5 | C6 | H62 | 125.7° | 65.0° |
| C5 | C4 | O4 | HO4 | 60.5° | 60.3° |
| C6 | C5 | C4 | O4 | 59.4° | 57.7° |
| C5 | C6 | O6 | H61 | 120.6° | 120.0° |
| C5 | C6 | O6 | H62 | 120.6° | 120.0° |
| C6 | C5 | C4 | H4 | 59.4° | 62.4° |
| C5 | C6 | H61 | H62 | 118.1° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O4 | C4 | C3 | H3 | 169.8° | 177.3° |
| O4 | C4 | C5 | H5 | 178.9° | 177.7° |
| O6 | C6 | C5 | H5 | 5.6° | 55.0° |
| O6 | C6 | H61 | H62 | 118.2° | 120.1° |
| O1 | C1 | C2 | H2 | 51.1° | 57.6° |
| H1 | C1 | C2 | H2 | 169.9° | 177.7° |
| H1 | C1 | O1 | HO1 | 62.2° | 59.9° |
| H2 | C2 | C3 | H3 | 177.5° | 177.3° |
| H3 | C3 | C4 | H4 | 67.3° | 57.1° |
| H3 | C3 | O3 | HO3 | 67.4° | 59.8° |
| H4 | C4 | C5 | H5 | 60.1° | 57.6° |
| H4 | C4 | O4 | HO4 | 57.5° | 59.8° |
| H5 | C5 | C6 | H61 | 126.2° | 65.0° |
| H5 | C5 | C6 | H62 | 115.0° | 175.0° |
| H61 | C6 | O6 | HO6 | 59.4° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.4° | 60.0° |
