S8L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | O13 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.54Å | 1.56Å | |
| C15 | O27 | sing | 1.44Å | 1.27Å | |
| C16 | C17 | sing | 1.54Å | 1.55Å | |
| C16 | O28 | sing | 1.43Å | 1.32Å | |
| C17 | C19 | sing | 1.55Å | 1.29Å | |
| C17 | O18 | sing | 1.43Å | 1.53Å | |
| C19 | N20 | sing | 1.46Å | 1.42Å | |
| C21 | C22 | sing | 1.41Å | 1.53Å | |
| C21 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | N20 | sing | 1.38Å | 1.36Å | Aromatic |
| C22 | O23 | doub | 1.21Å | 1.22Å | |
| C24 | C25 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.36Å | 1.36Å | Aromatic |
| C26 | N20 | sing | 1.35Å | 1.40Å | Aromatic |
| O02 | P01 | doub | 1.48Å | 1.52Å | |
| O03 | P01 | sing | 1.61Å | 1.50Å | |
| O04 | P01 | sing | 1.61Å | 1.68Å | |
| O04 | P05 | sing | 1.61Å | 1.67Å | |
| O06 | P05 | doub | 1.48Å | 1.48Å | |
| O07 | P05 | sing | 1.61Å | 1.47Å | |
| O08 | P05 | sing | 1.61Å | 1.67Å | |
| O08 | P09 | sing | 1.61Å | 1.66Å | |
| O10 | P09 | doub | 1.48Å | 1.45Å | |
| O11 | P09 | sing | 1.61Å | 1.45Å | |
| O12 | P09 | sing | 1.61Å | 1.66Å | |
| O13 | P01 | sing | 1.61Å | 1.63Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| O03 | H12 | sing | 0.97Å | 0.95Å | |
| O07 | H13 | sing | 0.97Å | 0.95Å | |
| O11 | H14 | sing | 0.97Å | 0.95Å | |
| O12 | H15 | sing | 0.97Å | 0.95Å | |
| O18 | H16 | sing | 0.97Å | 0.95Å | |
| O28 | H18 | sing | 0.97Å | 0.95Å | |
| C19 | O27 | sing | 1.44Å | 1.67Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | O13 | 108.2° | 109.5° |
| C14 | C15 | C16 | 110.6° | 110.4° |
| C14 | C15 | O27 | 112.0° | 110.4° |
| C15 | C14 | H1 | 109.8° | 109.5° |
| C15 | C14 | H2 | 109.8° | 109.5° |
| C14 | C15 | H3 | 108.8° | 110.4° |
| C14 | O13 | P01 | 118.8° | 123.0° |
| O13 | C14 | H1 | 109.8° | 109.4° |
| O13 | C14 | H2 | 109.8° | 109.4° |
| C16 | C15 | O27 | 103.0° | 104.8° |
| C15 | C16 | C17 | 102.3° | 104.1° |
| C15 | C16 | O28 | 109.2° | 110.6° |
| C16 | C15 | H3 | 108.9° | 110.4° |
| C15 | C16 | H4 | 109.5° | 110.5° |
| O27 | C15 | H3 | 113.5° | 110.4° |
| C15 | O27 | C19 | 103.8° | 105.3° |
| C17 | C16 | O28 | 112.2° | 110.5° |
| C16 | C17 | C19 | 106.2° | 104.1° |
| C16 | C17 | O18 | 109.8° | 110.5° |
| C17 | C16 | H4 | 109.6° | 110.5° |
| C16 | C17 | H5 | 109.0° | 110.6° |
| O28 | C16 | H4 | 113.4° | 110.5° |
| C16 | O28 | H18 | 109.5° | 114.1° |
| C19 | C17 | O18 | 109.4° | 110.5° |
| C17 | C19 | N20 | 112.1° | 110.4° |
| C19 | C17 | H5 | 113.0° | 110.5° |
| C17 | C19 | H6 | 111.2° | 110.4° |
| C17 | C19 | O27 | 107.3° | 104.8° |
| O18 | C17 | H5 | 109.3° | 110.6° |
| C17 | O18 | H16 | 109.5° | 114.0° |
| C19 | N20 | C21 | 126.1° | 125.7° |
| C19 | N20 | C26 | 125.9° | 125.7° |
| N20 | C19 | H6 | 109.2° | 110.3° |
| N20 | C19 | O27 | 110.5° | 110.4° |
| C22 | C21 | C24 | 125.9° | 126.3° |
| C22 | C21 | N20 | 126.4° | 126.3° |
| C21 | C22 | O23 | 121.6° | 120.0° |
| C21 | C22 | H8 | 119.2° | 120.0° |
| C24 | C21 | N20 | 107.6° | 107.5° |
| C21 | C24 | C25 | 108.3° | 106.9° |
| C21 | C24 | H9 | 125.9° | 126.6° |
| C21 | N20 | C26 | 108.0° | 108.6° |
| O23 | C22 | H8 | 119.2° | 120.0° |
| C24 | C25 | C26 | 107.8° | 107.9° |
| C25 | C24 | H9 | 125.8° | 126.5° |
| C24 | C25 | H10 | 126.1° | 126.0° |
| C25 | C26 | N20 | 108.3° | 109.1° |
| C26 | C25 | H10 | 126.1° | 126.1° |
| C25 | C26 | H11 | 125.9° | 125.5° |
| N20 | C26 | H11 | 125.8° | 125.4° |
| O02 | P01 | O03 | 109.5° | 109.5° |
| O02 | P01 | O04 | 109.7° | 109.5° |
| O02 | P01 | O13 | 110.7° | 109.5° |
| O03 | P01 | O04 | 108.8° | 109.5° |
| O03 | P01 | O13 | 109.6° | 109.5° |
| P01 | O03 | H12 | 109.5° | 114.0° |
| P01 | O04 | P05 | 122.0° | 134.0° |
| O04 | P01 | O13 | 108.5° | 109.5° |
| O04 | P05 | O06 | 111.0° | 109.5° |
| O04 | P05 | O07 | 110.5° | 109.5° |
| O04 | P05 | O08 | 109.8° | 109.5° |
| O06 | P05 | O07 | 102.2° | 109.5° |
| O06 | P05 | O08 | 112.2° | 109.4° |
| O07 | P05 | O08 | 110.9° | 109.5° |
| P05 | O07 | H13 | 109.5° | 114.0° |
| P05 | O08 | P09 | 124.1° | 134.0° |
| O08 | P09 | O10 | 111.6° | 109.4° |
| O08 | P09 | O11 | 111.5° | 109.5° |
| O08 | P09 | O12 | 109.2° | 109.5° |
| O10 | P09 | O11 | 101.6° | 109.5° |
| O10 | P09 | O12 | 111.2° | 109.5° |
| O11 | P09 | O12 | 111.6° | 109.5° |
| P09 | O11 | H14 | 109.5° | 114.0° |
| P09 | O12 | H15 | 109.5° | 114.0° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H6 | C19 | O27 | 106.3° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | O13 | H1 | 119.8° | 120.0° |
| C15 | C14 | O13 | H2 | 119.8° | 120.0° |
| C14 | C15 | C16 | O27 | 119.8° | 118.9° |
| C14 | C15 | C16 | H3 | 119.5° | 122.3° |
| C14 | C15 | O27 | H3 | 123.7° | 122.3° |
| C14 | C15 | C16 | C17 | 160.5° | 142.8° |
| C14 | C15 | C16 | O28 | 80.5° | 98.5° |
| C15 | C14 | O13 | P01 | 60.5° | 180.0° |
| C15 | C14 | H1 | H2 | 120.6° | 120.0° |
| C14 | C15 | C16 | H4 | 44.3° | 24.2° |
| C14 | C15 | O27 | C19 | 158.3° | 159.4° |
| O13 | C14 | C15 | C16 | 157.2° | 175.0° |
| O13 | C14 | C15 | O27 | 88.6° | 69.6° |
| C14 | O13 | P01 | O02 | 92.5° | 55.0° |
| C14 | O13 | P01 | O03 | 146.6° | 65.0° |
| C14 | O13 | P01 | O04 | 27.9° | 175.0° |
| O13 | C14 | H1 | H2 | 120.6° | 119.9° |
| O13 | C14 | C15 | H3 | 37.7° | 52.7° |
| C16 | C15 | O27 | H3 | 117.5° | 118.8° |
| C15 | C16 | C17 | O28 | 116.9° | 118.7° |
| C15 | C16 | C17 | H4 | 116.2° | 118.6° |
| C15 | C16 | O28 | H4 | 122.5° | 122.7° |
| C15 | C16 | C17 | C19 | 21.9° | 0.1° |
| C15 | C16 | C17 | O18 | 96.2° | 118.7° |
| C16 | C15 | C14 | H1 | 37.4° | 55.0° |
| C16 | C15 | C14 | H2 | 83.0° | 65.0° |
| C15 | C16 | C17 | H5 | 144.0° | 118.6° |
| C15 | C16 | O28 | H18 | 180.0° | 179.9° |
| C16 | C15 | O27 | C19 | 39.5° | 40.5° |
| O27 | C15 | C16 | C17 | 40.7° | 23.9° |
| O27 | C15 | C16 | O28 | 159.7° | 142.6° |
| C15 | O27 | C19 | C17 | 27.6° | 40.5° |
| C15 | O27 | C19 | N20 | 150.1° | 159.3° |
| O27 | C15 | C14 | H1 | 151.6° | 170.4° |
| O27 | C15 | C14 | H2 | 31.2° | 50.4° |
| O27 | C15 | C16 | H4 | 75.5° | 94.7° |
| C15 | O27 | C19 | H6 | 91.4° | 78.4° |
| C17 | C16 | O28 | H4 | 124.9° | 122.6° |
| C16 | C17 | C19 | O18 | 118.4° | 118.6° |
| C16 | C17 | C19 | H5 | 119.5° | 118.7° |
| C16 | C17 | O18 | H5 | 119.6° | 122.7° |
| C16 | C17 | C19 | N20 | 121.6° | 142.8° |
| C17 | C16 | C15 | H3 | 79.9° | 94.9° |
| C16 | C17 | C19 | H6 | 115.8° | 94.9° |
| C16 | C17 | O18 | H16 | 180.0° | 61.5° |
| C17 | C16 | O28 | H18 | 67.3° | 65.3° |
| C16 | C17 | C19 | O27 | 0.1° | 24.0° |
| O28 | C16 | C17 | C19 | 138.8° | 118.7° |
| O28 | C16 | C17 | O18 | 20.7° | 0.1° |
| O28 | C16 | C15 | H3 | 39.0° | 23.8° |
| O28 | C16 | C17 | H5 | 99.1° | 122.7° |
| C19 | C17 | O18 | H5 | 124.3° | 122.7° |
| C17 | C19 | N20 | H6 | 123.7° | 122.3° |
| C17 | C19 | N20 | O27 | 119.7° | 115.3° |
| C17 | C19 | N20 | C21 | 157.3° | 85.0° |
| C17 | C19 | N20 | C26 | 23.4° | 94.8° |
| C19 | C17 | C16 | H4 | 94.3° | 118.7° |
| C17 | C19 | H6 | O27 | 116.5° | 115.4° |
| C19 | C17 | O18 | H16 | 63.9° | 176.1° |
| O18 | C17 | C19 | N20 | 120.0° | 98.6° |
| O18 | C17 | C16 | H4 | 147.6° | 122.7° |
| O18 | C17 | C19 | H6 | 2.6° | 23.6° |
| O18 | C17 | C19 | O27 | 118.5° | 142.6° |
| C19 | N20 | C21 | C22 | 0.5° | 0.0° |
| C19 | N20 | C21 | C24 | 179.8° | 179.7° |
| C19 | N20 | C21 | C26 | 179.5° | 179.9° |
| C19 | N20 | C26 | C25 | 179.7° | 179.7° |
| N20 | C19 | C17 | H5 | 2.1° | 24.1° |
| N20 | C19 | H6 | O27 | 119.3° | 122.3° |
| C19 | N20 | C26 | H11 | 0.3° | 0.0° |
| C22 | C21 | C24 | N20 | 179.7° | 179.8° |
| C21 | C22 | O23 | H8 | 180.0° | 180.0° |
| C22 | C21 | C24 | C25 | 179.9° | 180.0° |
| C22 | C21 | N20 | C26 | 180.0° | 179.9° |
| C22 | C21 | C24 | H9 | 0.1° | 0.0° |
| C24 | C21 | C22 | O23 | 65.6° | 0.0° |
| C21 | C24 | C25 | H9 | 180.0° | 180.0° |
| C21 | C24 | C25 | C26 | 0.0° | 0.0° |
| C24 | C21 | N20 | C26 | 0.3° | 0.4° |
| C24 | C21 | C22 | H8 | 114.4° | 180.0° |
| C21 | C24 | C25 | H10 | 180.0° | 180.0° |
| N20 | C21 | C22 | O23 | 114.7° | 179.7° |
| N20 | C21 | C24 | C25 | 0.2° | 0.2° |
| C21 | N20 | C26 | C25 | 0.3° | 0.4° |
| C21 | N20 | C19 | H6 | 33.6° | 37.2° |
| N20 | C21 | C22 | H8 | 65.3° | 0.3° |
| N20 | C21 | C24 | H9 | 179.8° | 179.8° |
| C21 | N20 | C26 | H11 | 179.7° | 179.9° |
| C21 | N20 | C19 | O27 | 83.1° | 159.6° |
| C24 | C25 | C26 | H10 | 180.0° | 180.0° |
| C24 | C25 | C26 | N20 | 0.1° | 0.2° |
| C24 | C25 | C26 | H11 | 179.9° | 180.0° |
| C25 | C26 | N20 | H11 | 180.0° | 179.7° |
| C26 | C25 | C24 | H9 | 180.0° | 180.0° |
| C26 | N20 | C19 | H6 | 147.0° | 142.9° |
| N20 | C26 | C25 | H10 | 179.9° | 179.7° |
| C26 | N20 | C19 | O27 | 96.3° | 20.5° |
| O02 | P01 | O03 | O04 | 119.9° | 120.0° |
| O02 | P01 | O03 | O13 | 121.6° | 120.0° |
| O02 | P01 | O04 | O13 | 121.1° | 120.0° |
| O02 | P01 | O04 | P05 | 131.6° | 40.0° |
| O02 | P01 | O03 | H12 | 0.0° | 180.0° |
| O03 | P01 | O04 | O13 | 119.2° | 120.0° |
| O03 | P01 | O04 | P05 | 11.8° | 80.0° |
| P01 | O04 | P05 | O06 | 170.6° | 45.0° |
| P01 | O04 | P05 | O07 | 57.9° | 75.0° |
| P01 | O04 | P05 | O08 | 64.7° | 165.0° |
| O04 | P01 | O03 | H12 | 119.9° | 60.0° |
| O04 | P05 | O06 | O07 | 117.9° | 120.0° |
| O04 | P05 | O06 | O08 | 123.3° | 120.0° |
| O04 | P05 | O07 | O08 | 121.9° | 120.0° |
| O04 | P05 | O08 | P09 | 88.8° | 160.0° |
| P05 | O04 | P01 | O13 | 107.3° | 160.0° |
| O04 | P05 | O07 | H13 | 118.2° | 60.0° |
| O06 | P05 | O07 | O08 | 119.8° | 120.0° |
| O06 | P05 | O08 | P09 | 35.1° | 40.1° |
| O06 | P05 | O07 | H13 | 0.0° | 180.0° |
| O07 | P05 | O08 | P09 | 148.8° | 79.9° |
| P05 | O08 | P09 | O10 | 172.2° | 40.0° |
| P05 | O08 | P09 | O11 | 75.1° | 80.0° |
| P05 | O08 | P09 | O12 | 48.7° | 160.0° |
| O08 | P05 | O07 | H13 | 119.8° | 60.0° |
| O08 | P09 | O10 | O11 | 118.9° | 120.0° |
| O08 | P09 | O10 | O12 | 122.3° | 120.0° |
| O08 | P09 | O11 | O12 | 122.5° | 120.0° |
| O08 | P09 | O11 | H14 | 119.0° | 60.0° |
| O08 | P09 | O12 | H15 | 123.7° | 180.0° |
| O10 | P09 | O11 | O12 | 118.6° | 120.0° |
| O10 | P09 | O11 | H14 | 0.0° | 180.0° |
| O10 | P09 | O12 | H15 | 0.0° | 60.0° |
| O11 | P09 | O12 | H15 | 112.6° | 60.0° |
| O12 | P09 | O11 | H14 | 118.6° | 60.0° |
| P01 | O13 | C14 | H1 | 59.4° | 60.0° |
| P01 | O13 | C14 | H2 | 179.7° | 60.0° |
| O13 | P01 | O03 | H12 | 121.6° | 60.0° |
| H1 | C14 | C15 | H3 | 82.1° | 67.3° |
| H2 | C14 | C15 | H3 | 157.5° | 172.7° |
| H3 | C15 | C16 | H4 | 163.8° | 146.5° |
| H3 | C15 | O27 | C19 | 78.0° | 78.3° |
| H4 | C16 | C17 | H5 | 27.8° | 0.0° |
| H4 | C16 | O28 | H18 | 57.5° | 57.3° |
| H5 | C17 | C19 | H6 | 124.7° | 146.4° |
| H5 | C17 | O18 | H16 | 60.4° | 61.2° |
| H5 | C17 | C19 | O27 | 119.4° | 94.7° |
| H9 | C24 | C25 | H10 | 0.0° | 0.1° |
| H10 | C25 | C26 | H11 | 0.1° | 0.0° |
