DS8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.56Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| O5 | C1 | sing | 1.43Å | 1.43Å | |
| O8 | C8 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C7 | C10 | sing | 1.53Å | 1.50Å | |
| C7 | C1 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| O12 | C8 | sing | 1.43Å | 1.41Å | |
| O12 | C12 | sing | 1.43Å | 1.43Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | O13 | sing | 1.43Å | 1.46Å | |
| C2 | O2 | sing | 1.43Å | 1.37Å | |
| 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 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| O4 | H16 | sing | 0.97Å | 0.95Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| O8 | H23 | sing | 0.97Å | 0.95Å | |
| O13 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 112.4° | 109.5° |
| C6 | C5 | O5 | 108.4° | 109.5° |
| C6 | C5 | H5 | 108.1° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.4° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C4 | C5 | O5 | 110.4° | 109.4° |
| C5 | C4 | O4 | 112.4° | 109.5° |
| C5 | C4 | C3 | 109.2° | 109.1° |
| C5 | C4 | H4 | 108.0° | 109.6° |
| C4 | C5 | H5 | 108.0° | 109.5° |
| C5 | O5 | C1 | 116.4° | 114.1° |
| O5 | C5 | H5 | 109.5° | 109.5° |
| O4 | C4 | C3 | 109.3° | 109.5° |
| O4 | C4 | H4 | 109.5° | 109.6° |
| C4 | O4 | H16 | 109.5° | 114.0° |
| C4 | C3 | O3 | 110.8° | 109.6° |
| C4 | C3 | C2 | 107.4° | 109.0° |
| C4 | C3 | H3 | 108.5° | 109.6° |
| C3 | C4 | H4 | 108.2° | 109.6° |
| O5 | C1 | C7 | 105.1° | 109.5° |
| O5 | C1 | C2 | 108.4° | 109.4° |
| O5 | C1 | H1 | 110.1° | 109.5° |
| O8 | C8 | C9 | 110.7° | 109.5° |
| O8 | C8 | O12 | 109.1° | 109.5° |
| O8 | C8 | H11 | 110.4° | 109.4° |
| C8 | O8 | H23 | 109.5° | 114.0° |
| C8 | C9 | C10 | 109.3° | 109.1° |
| C9 | C8 | O12 | 106.9° | 109.5° |
| C9 | C8 | H11 | 108.9° | 109.5° |
| C8 | C9 | H14 | 109.5° | 109.5° |
| C8 | C9 | H15 | 109.5° | 109.5° |
| C9 | C10 | C7 | 107.5° | 109.5° |
| C9 | C10 | C11 | 110.1° | 109.1° |
| C10 | C9 | H14 | 109.5° | 109.5° |
| C10 | C9 | H15 | 109.5° | 109.5° |
| C9 | C10 | H17 | 108.6° | 109.5° |
| C10 | C7 | C1 | 119.2° | 109.5° |
| C7 | C10 | C11 | 112.8° | 109.5° |
| C10 | C7 | H9 | 107.0° | 109.4° |
| C10 | C7 | H10 | 107.0° | 109.5° |
| C7 | C10 | H17 | 109.1° | 109.5° |
| C7 | C1 | C2 | 115.7° | 109.5° |
| C7 | C1 | H1 | 108.6° | 109.5° |
| C1 | C7 | H9 | 107.0° | 109.5° |
| C1 | C7 | H10 | 107.0° | 109.5° |
| O3 | C3 | C2 | 111.3° | 109.6° |
| O3 | C3 | H3 | 109.9° | 109.6° |
| C3 | O3 | H13 | 109.5° | 114.0° |
| C3 | C2 | C1 | 114.6° | 109.1° |
| C3 | C2 | O2 | 105.1° | 109.6° |
| C3 | C2 | H2 | 109.2° | 109.6° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C8 | O12 | C12 | 112.3° | 114.1° |
| O12 | C8 | H11 | 110.7° | 109.5° |
| O12 | C12 | C11 | 107.4° | 109.5° |
| O12 | C12 | C13 | 111.1° | 109.5° |
| O12 | C12 | H20 | 109.8° | 109.4° |
| C10 | C11 | C12 | 109.7° | 109.1° |
| C11 | C10 | H17 | 108.6° | 109.6° |
| C10 | C11 | H18 | 109.4° | 109.5° |
| C10 | C11 | H19 | 109.4° | 109.5° |
| C11 | C12 | C13 | 111.4° | 109.5° |
| C12 | C11 | H18 | 109.4° | 109.6° |
| C12 | C11 | H19 | 109.4° | 109.5° |
| C11 | C12 | H20 | 108.5° | 109.5° |
| C1 | C2 | O2 | 107.5° | 109.5° |
| C2 | C1 | H1 | 108.8° | 109.5° |
| C1 | C2 | H2 | 109.1° | 109.5° |
| C12 | C13 | O13 | 113.8° | 109.5° |
| C13 | C12 | H20 | 108.5° | 109.4° |
| C12 | C13 | H21 | 108.4° | 109.5° |
| C12 | C13 | H22 | 108.4° | 109.4° |
| O13 | C13 | H21 | 108.4° | 109.5° |
| O13 | C13 | H22 | 108.4° | 109.5° |
| C13 | O13 | H24 | 109.5° | 114.0° |
| O2 | C2 | H2 | 111.3° | 109.5° |
| C2 | O2 | H12 | 109.5° | 114.0° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| H6 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.6° |
| H18 | C11 | H19 | 109.5° | 109.6° |
| H21 | C13 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | O5 | 121.1° | 120.0° |
| C6 | C5 | C4 | H5 | 119.2° | 120.1° |
| C6 | C5 | O5 | H5 | 117.7° | 120.0° |
| C6 | C5 | C4 | O4 | 56.4° | 57.5° |
| C6 | C5 | C4 | C3 | 178.0° | 62.3° |
| C6 | C5 | O5 | C1 | 178.3° | 58.8° |
| C6 | C5 | C4 | H4 | 64.5° | 177.7° |
| C5 | C6 | H6 | H7 | 120.0° | 119.9° |
| C5 | C6 | H6 | H8 | 120.0° | 120.0° |
| C5 | C6 | H7 | H8 | 120.0° | 120.0° |
| C4 | C5 | O5 | H5 | 118.7° | 119.9° |
| C5 | C4 | O4 | C3 | 121.4° | 119.6° |
| C5 | C4 | O4 | H4 | 120.1° | 120.2° |
| C5 | C4 | C3 | H4 | 117.4° | 120.0° |
| C4 | C5 | O5 | C1 | 58.2° | 61.2° |
| C5 | C4 | C3 | O3 | 177.2° | 62.8° |
| C5 | C4 | C3 | C2 | 55.4° | 57.0° |
| C5 | C4 | C3 | H3 | 62.0° | 176.9° |
| C4 | C5 | C6 | H6 | 180.0° | 50.8° |
| C4 | C5 | C6 | H7 | 60.0° | 170.7° |
| C4 | C5 | C6 | H8 | 60.0° | 69.2° |
| C5 | C4 | O4 | H16 | 180.0° | 60.3° |
| O5 | C5 | C4 | O4 | 64.7° | 177.5° |
| O5 | C5 | C4 | C3 | 56.8° | 57.7° |
| C5 | O5 | C1 | C7 | 69.5° | 178.9° |
| C5 | O5 | C1 | C2 | 54.8° | 61.2° |
| C5 | O5 | C1 | H1 | 173.7° | 58.8° |
| O5 | C5 | C4 | H4 | 174.3° | 62.3° |
| O5 | C5 | C6 | H6 | 57.7° | 170.7° |
| O5 | C5 | C6 | H7 | 62.3° | 69.3° |
| O5 | C5 | C6 | H8 | 177.7° | 50.7° |
| O4 | C4 | C3 | H4 | 119.3° | 120.2° |
| O4 | C4 | C3 | O3 | 53.9° | 57.0° |
| O4 | C4 | C3 | C2 | 67.9° | 176.9° |
| O4 | C4 | C3 | H3 | 174.6° | 63.3° |
| O4 | C4 | C5 | H5 | 175.6° | 62.6° |
| C4 | C3 | O3 | C2 | 119.5° | 119.5° |
| C4 | C3 | O3 | H3 | 119.9° | 120.3° |
| C4 | C3 | C2 | H3 | 117.3° | 119.9° |
| C4 | C3 | C2 | C1 | 56.2° | 57.0° |
| C4 | C3 | C2 | O2 | 174.0° | 62.9° |
| C4 | C3 | C2 | H2 | 66.5° | 176.9° |
| C3 | C4 | C5 | H5 | 62.9° | 177.6° |
| C4 | C3 | O3 | H13 | 180.0° | 60.4° |
| C3 | C4 | O4 | H16 | 58.6° | 180.0° |
| O5 | C1 | C7 | C10 | 132.1° | 65.1° |
| O5 | C1 | C7 | C2 | 119.5° | 119.9° |
| O5 | C1 | C7 | H1 | 117.9° | 120.0° |
| O5 | C1 | C2 | C3 | 54.0° | 57.6° |
| O5 | C1 | C2 | H1 | 119.7° | 120.0° |
| O5 | C1 | C2 | O2 | 170.4° | 62.3° |
| O5 | C1 | C2 | H2 | 68.8° | 177.6° |
| C1 | O5 | C5 | H5 | 60.5° | 178.9° |
| O5 | C1 | C7 | H9 | 106.5° | 54.9° |
| O5 | C1 | C7 | H10 | 10.8° | 174.9° |
| O8 | C8 | C9 | O12 | 118.8° | 120.0° |
| O8 | C8 | C9 | H11 | 121.6° | 120.0° |
| O8 | C8 | C9 | C10 | 178.5° | 177.6° |
| O8 | C8 | O12 | H11 | 121.7° | 120.0° |
| O8 | C8 | O12 | C12 | 170.8° | 178.9° |
| O8 | C8 | C9 | H14 | 61.5° | 62.5° |
| O8 | C8 | C9 | H15 | 58.5° | 57.7° |
| C8 | C9 | C10 | H14 | 120.0° | 119.9° |
| C8 | C9 | C10 | H15 | 120.0° | 119.9° |
| C8 | C9 | C10 | C7 | 176.4° | 176.9° |
| C9 | C8 | O12 | H11 | 118.5° | 120.1° |
| C9 | C8 | O12 | C12 | 69.4° | 61.1° |
| C8 | C9 | C10 | C11 | 53.1° | 57.0° |
| C8 | C9 | H14 | H15 | 120.1° | 120.2° |
| C8 | C9 | C10 | H17 | 65.7° | 63.0° |
| C9 | C8 | O8 | H23 | 180.0° | 179.9° |
| C9 | C10 | C7 | C11 | 121.6° | 119.6° |
| C9 | C10 | C7 | H17 | 117.6° | 120.2° |
| C9 | C10 | C7 | C1 | 161.8° | 65.0° |
| C10 | C9 | C8 | O12 | 59.7° | 57.6° |
| C9 | C10 | C11 | H17 | 118.8° | 119.9° |
| C9 | C10 | C11 | C12 | 52.1° | 57.0° |
| C9 | C10 | C7 | H9 | 40.5° | 175.0° |
| C9 | C10 | C7 | H10 | 76.8° | 55.0° |
| C10 | C9 | C8 | H11 | 59.9° | 62.4° |
| C10 | C9 | H14 | H15 | 120.1° | 120.2° |
| C9 | C10 | C11 | H18 | 172.1° | 176.9° |
| C9 | C10 | C11 | H19 | 67.9° | 62.9° |
| C10 | C7 | C1 | H9 | 121.4° | 120.0° |
| C10 | C7 | C1 | H10 | 121.4° | 120.0° |
| C7 | C10 | C11 | H17 | 121.0° | 120.2° |
| C7 | C10 | C11 | C12 | 172.3° | 176.8° |
| C10 | C7 | C1 | C2 | 108.4° | 175.0° |
| C10 | C7 | C1 | H1 | 14.3° | 55.0° |
| C10 | C7 | H9 | H10 | 115.6° | 120.0° |
| C7 | C10 | C9 | H14 | 63.7° | 63.2° |
| C7 | C10 | C9 | H15 | 56.4° | 56.9° |
| C7 | C10 | C11 | H18 | 67.7° | 63.2° |
| C7 | C10 | C11 | H19 | 52.2° | 56.9° |
| C7 | C1 | C2 | C3 | 63.7° | 177.6° |
| C1 | C7 | C10 | C11 | 76.5° | 175.4° |
| C7 | C1 | C2 | H1 | 122.5° | 120.0° |
| C7 | C1 | C2 | O2 | 52.7° | 57.7° |
| C7 | C1 | C2 | H2 | 173.5° | 62.4° |
| C1 | C7 | H9 | H10 | 115.6° | 120.0° |
| C1 | C7 | C10 | H17 | 44.2° | 55.2° |
| O3 | C3 | C2 | H3 | 121.2° | 120.2° |
| O3 | C3 | C2 | C1 | 177.7° | 62.9° |
| O3 | C3 | C2 | O2 | 64.5° | 177.2° |
| O3 | C3 | C2 | H2 | 55.0° | 57.1° |
| O3 | C3 | C4 | H4 | 65.4° | 177.2° |
| C3 | C2 | C1 | O2 | 116.4° | 119.9° |
| C3 | C2 | C1 | H2 | 122.8° | 120.0° |
| C3 | C2 | O2 | H2 | 118.1° | 120.2° |
| C3 | C2 | C1 | H1 | 173.8° | 62.4° |
| C2 | C3 | C4 | H4 | 172.8° | 63.0° |
| C3 | C2 | O2 | H12 | 180.0° | 60.3° |
| C2 | C3 | O3 | H13 | 60.5° | 180.0° |
| C8 | O12 | C12 | C11 | 68.4° | 61.1° |
| C8 | O12 | C12 | C13 | 169.5° | 178.8° |
| O12 | C8 | C9 | H14 | 179.7° | 177.5° |
| O12 | C8 | C9 | H15 | 60.3° | 62.3° |
| C8 | O12 | C12 | H20 | 49.4° | 58.9° |
| O12 | C8 | O8 | H23 | 62.6° | 60.0° |
| O12 | C12 | C11 | C10 | 57.2° | 57.6° |
| O12 | C12 | C11 | C13 | 121.9° | 120.0° |
| O12 | C12 | C11 | H20 | 118.7° | 120.0° |
| O12 | C12 | C13 | H20 | 120.8° | 119.9° |
| O12 | C12 | C13 | O13 | 62.9° | 65.0° |
| C12 | O12 | C8 | H11 | 49.1° | 58.9° |
| O12 | C12 | C11 | H18 | 177.2° | 177.5° |
| O12 | C12 | C11 | H19 | 62.8° | 62.3° |
| O12 | C12 | C13 | H21 | 176.5° | 175.0° |
| O12 | C12 | C13 | H22 | 57.8° | 55.0° |
| C10 | C11 | C12 | H18 | 120.0° | 119.9° |
| C10 | C11 | C12 | H19 | 120.0° | 119.9° |
| C10 | C11 | C12 | C13 | 179.1° | 177.6° |
| C11 | C10 | C7 | H9 | 162.1° | 55.4° |
| C11 | C10 | C7 | H10 | 44.8° | 64.5° |
| C11 | C10 | C9 | H14 | 173.0° | 176.9° |
| C11 | C10 | C9 | H15 | 66.9° | 62.9° |
| C10 | C11 | H18 | H19 | 119.9° | 120.1° |
| C10 | C11 | C12 | H20 | 61.5° | 62.4° |
| C11 | C12 | C13 | H20 | 119.4° | 120.0° |
| C11 | C12 | C13 | O13 | 177.4° | 175.0° |
| C12 | C11 | C10 | H17 | 66.7° | 63.0° |
| C12 | C11 | H18 | H19 | 119.9° | 120.2° |
| C11 | C12 | C13 | H21 | 56.7° | 54.9° |
| C11 | C12 | C13 | H22 | 62.0° | 65.0° |
| C1 | C2 | O2 | H2 | 119.4° | 120.1° |
| C1 | C2 | C3 | H3 | 61.1° | 176.9° |
| C2 | C1 | C7 | H9 | 13.0° | 65.0° |
| C2 | C1 | C7 | H10 | 130.3° | 55.0° |
| C1 | C2 | O2 | H12 | 57.5° | 180.0° |
| C12 | C13 | O13 | H21 | 120.6° | 120.0° |
| C12 | C13 | O13 | H22 | 120.6° | 120.0° |
| C13 | C12 | C11 | H18 | 60.9° | 62.5° |
| C13 | C12 | C11 | H19 | 59.0° | 57.8° |
| C12 | C13 | H21 | H22 | 118.0° | 119.9° |
| C12 | C13 | O13 | H24 | 180.0° | 180.0° |
| O13 | C13 | C12 | H20 | 58.0° | 54.9° |
| O13 | C13 | H21 | H22 | 118.0° | 120.0° |
| O2 | C2 | C1 | H1 | 69.8° | 177.7° |
| O2 | C2 | C3 | H3 | 56.7° | 57.0° |
| H1 | C1 | C2 | H2 | 51.0° | 57.6° |
| H1 | C1 | C7 | H9 | 135.6° | 174.9° |
| H1 | C1 | C7 | H10 | 107.1° | 65.0° |
| H2 | C2 | C3 | H3 | 176.2° | 63.1° |
| H2 | C2 | O2 | H12 | 61.9° | 59.9° |
| H3 | C3 | C4 | H4 | 55.4° | 56.9° |
| H3 | C3 | O3 | H13 | 60.1° | 59.9° |
| H4 | C4 | C5 | H5 | 54.6° | 57.6° |
| H4 | C4 | O4 | H16 | 59.9° | 59.9° |
| H5 | C5 | C6 | H6 | 60.9° | 69.3° |
| H5 | C5 | C6 | H7 | 179.1° | 50.7° |
| H5 | C5 | C6 | H8 | 59.1° | 170.7° |
| H6 | C6 | H7 | H8 | 120.0° | 120.1° |
| H9 | C7 | C10 | H17 | 77.2° | 64.8° |
| H10 | C7 | C10 | H17 | 165.5° | 175.2° |
| H11 | C8 | C9 | H14 | 60.0° | 57.5° |
| H11 | C8 | C9 | H15 | 179.9° | 177.7° |
| H11 | C8 | O8 | H23 | 59.3° | 60.0° |
| H14 | C9 | C10 | H17 | 54.3° | 56.9° |
| H15 | C9 | C10 | H17 | 174.3° | 177.1° |
| H17 | C10 | C11 | H18 | 53.3° | 57.0° |
| H17 | C10 | C11 | H19 | 173.3° | 177.2° |
| H18 | C11 | C12 | H20 | 58.5° | 57.5° |
| H19 | C11 | C12 | H20 | 178.5° | 177.7° |
| H20 | C12 | C13 | H21 | 62.7° | 65.1° |
| H20 | C12 | C13 | H22 | 178.6° | 175.0° |
| H21 | C13 | O13 | H24 | 59.4° | 60.0° |
| H22 | C13 | O13 | H24 | 59.3° | 60.0° |
