DO7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | S1 | doub | 1.42Å | 1.50Å | |
| C4 | S1 | sing | 1.81Å | 1.77Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| S1 | O5 | sing | 1.52Å | 1.51Å | |
| S1 | O4 | doub | 1.42Å | 1.43Å | |
| O6 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C3 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C3 | O2 | sing | 1.43Å | 1.44Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| O7 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C2 | sing | 1.53Å | 1.53Å | |
| C7 | O8 | sing | 1.43Å | 1.44Å | |
| C2 | O1 | sing | 1.43Å | 1.40Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å | |
| O7 | H12 | sing | 0.97Å | 0.95Å | |
| O8 | H14 | sing | 0.97Å | 0.95Å | |
| O5 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | S1 | C4 | 111.2° | 110.6° |
| O3 | S1 | O5 | 105.7° | 104.3° |
| O3 | S1 | O4 | 116.6° | 121.0° |
| S1 | C4 | C3 | 116.3° | 109.5° |
| C4 | S1 | O5 | 107.7° | 104.5° |
| C4 | S1 | O4 | 108.7° | 110.5° |
| S1 | C4 | H7 | 107.7° | 109.5° |
| S1 | C4 | H6 | 107.7° | 109.4° |
| C4 | C3 | C5 | 114.8° | 109.5° |
| C4 | C3 | O2 | 107.1° | 109.5° |
| C3 | C4 | H7 | 107.7° | 109.5° |
| C3 | C4 | H6 | 107.7° | 109.5° |
| C4 | C3 | H5 | 108.3° | 109.5° |
| O5 | S1 | O4 | 106.5° | 104.3° |
| S1 | O5 | H8 | 109.5° | 114.0° |
| O6 | C5 | C3 | 110.8° | 109.5° |
| O6 | C5 | C6 | 109.6° | 109.5° |
| O6 | C5 | H9 | 110.2° | 109.6° |
| C5 | O6 | H10 | 109.5° | 114.0° |
| C3 | C5 | C6 | 108.3° | 109.1° |
| C5 | C3 | O2 | 109.3° | 109.4° |
| C3 | C5 | H9 | 108.9° | 109.5° |
| C5 | C3 | H5 | 108.1° | 109.5° |
| C5 | C6 | O7 | 111.9° | 109.5° |
| C5 | C6 | C7 | 111.3° | 109.1° |
| C6 | C5 | H9 | 109.0° | 109.6° |
| C5 | C6 | H11 | 107.8° | 109.6° |
| C3 | O2 | C2 | 115.3° | 114.1° |
| O2 | C3 | H5 | 109.2° | 109.4° |
| O2 | C2 | C7 | 112.7° | 109.4° |
| O2 | C2 | O1 | 110.8° | 109.4° |
| O2 | C2 | H4 | 109.3° | 109.5° |
| O7 | C6 | C7 | 108.6° | 109.5° |
| O7 | C6 | H11 | 109.2° | 109.6° |
| C6 | O7 | H12 | 109.5° | 114.0° |
| C6 | C7 | C2 | 110.7° | 109.1° |
| C6 | C7 | O8 | 108.8° | 109.5° |
| C7 | C6 | H11 | 107.9° | 109.6° |
| C6 | C7 | H13 | 108.8° | 109.5° |
| C2 | C7 | O8 | 109.9° | 109.6° |
| C7 | C2 | O1 | 106.3° | 109.5° |
| C2 | C7 | H13 | 108.7° | 109.5° |
| C7 | C2 | H4 | 108.0° | 109.5° |
| O8 | C7 | H13 | 109.9° | 109.6° |
| C7 | O8 | H14 | 109.5° | 114.0° |
| C2 | O1 | C1 | 114.1° | 114.0° |
| O1 | C2 | H4 | 109.7° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| H7 | C4 | H6 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | S1 | C4 | O5 | 115.3° | 111.6° |
| O3 | S1 | C4 | O4 | 129.6° | 136.7° |
| O3 | S1 | C4 | C3 | 170.8° | 68.4° |
| O3 | S1 | O5 | O4 | 124.7° | 127.8° |
| O3 | S1 | C4 | H7 | 68.2° | 171.6° |
| O3 | S1 | C4 | H6 | 49.8° | 51.6° |
| O3 | S1 | O5 | H8 | 124.7° | 63.9° |
| S1 | C4 | C3 | H7 | 121.0° | 120.0° |
| S1 | C4 | C3 | H6 | 121.0° | 120.0° |
| C4 | S1 | O5 | O4 | 116.4° | 116.1° |
| S1 | C4 | C3 | C5 | 150.6° | 175.0° |
| S1 | C4 | C3 | O2 | 87.9° | 65.0° |
| S1 | C4 | H7 | H6 | 116.9° | 120.0° |
| S1 | C4 | C3 | H5 | 29.8° | 54.9° |
| C4 | S1 | O5 | H8 | 116.4° | 180.0° |
| C3 | C4 | S1 | O5 | 73.8° | 180.0° |
| C3 | C4 | S1 | O4 | 41.2° | 68.4° |
| C4 | C3 | C5 | O6 | 60.5° | 62.5° |
| C4 | C3 | C5 | O2 | 120.3° | 120.0° |
| C4 | C3 | C5 | H5 | 121.0° | 120.1° |
| C4 | C3 | C5 | C6 | 179.3° | 177.6° |
| C4 | C3 | O2 | H5 | 117.1° | 120.0° |
| C4 | C3 | O2 | C2 | 176.0° | 178.9° |
| C3 | C4 | H7 | H6 | 116.9° | 120.0° |
| C4 | C3 | C5 | H9 | 60.9° | 57.7° |
| O5 | S1 | C4 | H7 | 47.2° | 60.0° |
| O5 | S1 | C4 | H6 | 165.2° | 60.0° |
| O4 | S1 | C4 | H7 | 162.2° | 51.7° |
| O4 | S1 | C4 | H6 | 79.8° | 171.6° |
| O4 | S1 | O5 | H8 | 0.0° | 63.9° |
| O6 | C5 | C3 | C6 | 120.2° | 119.9° |
| O6 | C5 | C3 | H9 | 121.4° | 120.2° |
| O6 | C5 | C6 | H9 | 120.7° | 120.3° |
| O6 | C5 | C3 | O2 | 179.2° | 177.5° |
| O6 | C5 | C6 | O7 | 59.9° | 63.3° |
| O6 | C5 | C6 | C7 | 178.4° | 176.9° |
| O6 | C5 | C6 | H11 | 60.2° | 56.9° |
| O6 | C5 | C3 | H5 | 60.4° | 57.6° |
| C3 | C5 | C6 | H9 | 118.4° | 119.9° |
| C5 | C3 | O2 | H5 | 118.0° | 120.0° |
| C5 | C3 | O2 | C2 | 59.2° | 61.1° |
| C3 | C5 | C6 | O7 | 179.1° | 176.8° |
| C3 | C5 | C6 | C7 | 57.4° | 57.0° |
| C5 | C3 | C4 | H7 | 88.4° | 55.0° |
| C5 | C3 | C4 | H6 | 29.6° | 65.0° |
| C3 | C5 | C6 | H11 | 60.8° | 62.9° |
| C3 | C5 | O6 | H10 | 180.0° | 180.0° |
| C6 | C5 | C3 | O2 | 59.0° | 57.6° |
| C5 | C6 | O7 | C7 | 123.2° | 119.5° |
| C5 | C6 | O7 | H11 | 119.3° | 120.2° |
| C5 | C6 | C7 | H11 | 118.1° | 120.0° |
| C5 | C6 | C7 | C2 | 52.0° | 57.0° |
| C5 | C6 | C7 | O8 | 172.9° | 177.0° |
| C5 | C6 | C7 | H13 | 67.3° | 62.9° |
| C6 | C5 | C3 | H5 | 59.7° | 62.3° |
| C6 | C5 | O6 | H10 | 60.6° | 60.4° |
| C5 | C6 | O7 | H12 | 180.0° | 180.0° |
| C3 | O2 | C2 | C7 | 54.0° | 61.1° |
| C3 | O2 | C2 | O1 | 64.9° | 58.9° |
| O2 | C3 | C4 | H7 | 33.1° | 174.9° |
| O2 | C3 | C4 | H6 | 151.1° | 54.9° |
| O2 | C3 | C5 | H9 | 59.4° | 62.3° |
| C3 | O2 | C2 | H4 | 174.1° | 178.9° |
| O2 | C2 | C7 | C6 | 48.8° | 57.6° |
| O2 | C2 | C7 | O1 | 121.5° | 120.0° |
| O2 | C2 | C7 | H4 | 120.8° | 120.0° |
| O2 | C2 | C7 | O8 | 169.0° | 177.5° |
| O2 | C2 | O1 | H4 | 120.7° | 120.0° |
| O2 | C2 | O1 | C1 | 69.0° | 70.0° |
| O2 | C2 | C7 | H13 | 70.6° | 62.3° |
| C2 | O2 | C3 | H5 | 58.8° | 58.9° |
| O7 | C6 | C7 | H11 | 118.3° | 120.2° |
| O7 | C6 | C7 | C2 | 175.6° | 176.8° |
| O7 | C6 | C7 | O8 | 63.5° | 63.2° |
| O7 | C6 | C5 | H9 | 60.7° | 57.0° |
| O7 | C6 | C7 | H13 | 56.3° | 57.0° |
| C6 | C7 | C2 | O8 | 120.2° | 119.9° |
| C6 | C7 | C2 | H13 | 119.4° | 119.9° |
| C6 | C7 | O8 | H13 | 119.1° | 120.1° |
| C6 | C7 | C2 | O1 | 72.8° | 62.4° |
| C7 | C6 | C5 | H9 | 61.0° | 62.9° |
| C6 | C7 | C2 | H4 | 169.6° | 177.6° |
| C7 | C6 | O7 | H12 | 56.7° | 60.5° |
| C6 | C7 | O8 | H14 | 180.0° | 179.9° |
| C2 | C7 | O8 | H13 | 119.6° | 120.2° |
| C7 | C2 | O1 | H4 | 116.5° | 120.1° |
| C7 | C2 | O1 | C1 | 168.2° | 170.0° |
| C2 | C7 | C6 | H11 | 66.1° | 62.9° |
| C2 | C7 | O8 | H14 | 58.6° | 60.3° |
| O8 | C7 | C2 | O1 | 47.5° | 57.5° |
| O8 | C7 | C6 | H11 | 54.8° | 57.0° |
| O8 | C7 | C2 | H4 | 70.2° | 62.5° |
| O1 | C2 | C7 | H13 | 167.8° | 177.8° |
| C2 | O1 | C1 | H1 | 180.0° | 180.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | O1 | C2 | H4 | 51.7° | 49.9° |
| H7 | C4 | C3 | H5 | 150.8° | 65.1° |
| H6 | C4 | C3 | H5 | 91.2° | 174.9° |
| H9 | C5 | C6 | H11 | 179.1° | 177.2° |
| H9 | C5 | C3 | H5 | 178.2° | 177.7° |
| H9 | C5 | O6 | H10 | 59.3° | 59.9° |
| H11 | C6 | C7 | H13 | 174.6° | 177.2° |
| H11 | C6 | O7 | H12 | 60.7° | 59.7° |
| H13 | C7 | C2 | H4 | 50.2° | 57.7° |
| H13 | C7 | O8 | H14 | 61.0° | 59.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
