8U8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.21Å | 1.22Å | |
| O5 | C2 | sing | 1.43Å | 1.44Å | |
| C6 | O7 | sing | 1.34Å | 1.23Å | |
| C6 | C1 | sing | 1.51Å | 1.42Å | |
| O1 | C5 | sing | 1.43Å | 1.44Å | |
| O1 | C1 | sing | 1.43Å | 1.38Å | |
| O2 | C5 | sing | 1.43Å | 1.48Å | |
| O2 | C9 | sing | 1.36Å | 1.38Å | |
| C5 | C4 | sing | 1.53Å | 1.65Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.53Å | 1.59Å | |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| O8 | C11 | sing | 1.35Å | 1.37Å | |
| O8 | C16 | sing | 1.34Å | 1.38Å | |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | O4 | sing | 1.43Å | 1.39Å | |
| O9 | C16 | doub | 1.22Å | 1.23Å | |
| C11 | C12 | doub | 1.41Å | 1.42Å | Aromatic |
| C4 | O3 | sing | 1.43Å | 1.49Å | |
| C16 | C14 | sing | 1.41Å | 1.40Å | |
| C8 | C7 | doub | 1.36Å | 1.40Å | Aromatic |
| C12 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.46Å | 1.42Å | |
| C14 | C13 | doub | 1.36Å | 1.40Å | |
| C13 | C15 | sing | 1.51Å | 1.41Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| O7 | H10 | sing | 0.97Å | 0.95Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| O5 | H12 | sing | 0.97Å | 0.95Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| O4 | H14 | sing | 0.97Å | 0.95Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | O7 | 127.6° | 120.0° |
| O6 | C6 | C1 | 116.4° | 120.0° |
| O5 | C2 | C1 | 108.8° | 109.5° |
| O5 | C2 | C3 | 112.2° | 109.5° |
| O5 | C2 | H11 | 108.4° | 109.6° |
| C2 | O5 | H12 | 109.5° | 114.0° |
| O7 | C6 | C1 | 116.0° | 120.0° |
| C6 | O7 | H10 | 109.5° | 117.0° |
| C6 | C1 | O1 | 102.1° | 109.4° |
| C6 | C1 | C2 | 105.3° | 109.5° |
| C6 | C1 | H9 | 111.1° | 109.5° |
| C5 | O1 | C1 | 118.3° | 114.1° |
| O1 | C5 | O2 | 108.7° | 109.4° |
| O1 | C5 | C4 | 111.9° | 109.4° |
| O1 | C5 | H8 | 105.8° | 109.5° |
| O1 | C1 | C2 | 117.0° | 109.4° |
| O1 | C1 | H9 | 111.8° | 109.5° |
| C5 | O2 | C9 | 124.3° | 117.0° |
| O2 | C5 | C4 | 120.2° | 109.5° |
| O2 | C5 | H8 | 105.3° | 109.5° |
| O2 | C9 | C10 | 117.8° | 119.7° |
| O2 | C9 | C8 | 123.2° | 119.7° |
| C5 | C4 | C3 | 107.5° | 109.2° |
| C5 | C4 | O3 | 117.1° | 109.6° |
| C4 | C5 | H8 | 103.7° | 109.5° |
| C5 | C4 | H15 | 107.0° | 109.5° |
| C1 | C2 | C3 | 113.5° | 109.1° |
| C2 | C1 | H9 | 109.1° | 109.5° |
| C1 | C2 | H11 | 107.0° | 109.5° |
| C2 | C3 | C4 | 111.7° | 109.0° |
| C2 | C3 | O4 | 109.8° | 109.5° |
| C3 | C2 | H11 | 106.6° | 109.5° |
| C2 | C3 | H13 | 107.2° | 109.6° |
| C9 | C10 | C11 | 120.1° | 119.8° |
| C10 | C9 | C8 | 118.9° | 120.6° |
| C9 | C10 | H5 | 119.9° | 120.2° |
| C10 | C11 | O8 | 118.8° | 120.8° |
| C10 | C11 | C12 | 121.5° | 119.4° |
| C11 | C10 | H5 | 120.0° | 120.1° |
| C11 | O8 | C16 | 119.9° | 121.5° |
| O8 | C11 | C12 | 119.6° | 119.8° |
| O8 | C16 | O9 | 122.1° | 119.1° |
| O8 | C16 | C14 | 121.2° | 121.7° |
| C9 | C8 | C7 | 121.2° | 120.4° |
| C9 | C8 | H7 | 119.4° | 119.7° |
| C4 | C3 | O4 | 110.6° | 109.6° |
| C3 | C4 | O3 | 108.1° | 109.5° |
| C4 | C3 | H13 | 107.6° | 109.5° |
| C3 | C4 | H15 | 107.9° | 109.5° |
| O4 | C3 | H13 | 109.8° | 109.6° |
| C3 | O4 | H14 | 109.5° | 114.0° |
| O9 | C16 | C14 | 116.6° | 119.2° |
| C11 | C12 | C7 | 117.5° | 120.1° |
| C11 | C12 | C13 | 120.5° | 119.0° |
| O3 | C4 | H15 | 108.9° | 109.6° |
| C4 | O3 | H16 | 109.5° | 114.0° |
| C16 | C14 | C13 | 120.4° | 119.8° |
| C16 | C14 | H4 | 119.8° | 120.1° |
| C8 | C7 | C12 | 120.7° | 119.8° |
| C8 | C7 | H6 | 119.6° | 120.0° |
| C7 | C8 | H7 | 119.4° | 119.8° |
| C7 | C12 | C13 | 121.9° | 120.9° |
| C12 | C7 | H6 | 119.7° | 120.2° |
| C12 | C13 | C14 | 117.9° | 118.2° |
| C12 | C13 | C15 | 123.3° | 120.9° |
| C14 | C13 | C15 | 118.5° | 120.9° |
| C13 | C14 | H4 | 119.8° | 120.1° |
| C13 | C15 | H1 | 109.5° | 109.5° |
| C13 | C15 | H2 | 109.5° | 109.4° |
| C13 | C15 | H3 | 109.5° | 109.4° |
| H1 | C15 | H2 | 109.4° | 109.5° |
| H1 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | O7 | C1 | 178.3° | 180.0° |
| O6 | C6 | C1 | O1 | 28.0° | 5.0° |
| O6 | C6 | C1 | C2 | 94.6° | 115.0° |
| O6 | C6 | C1 | H9 | 147.4° | 125.0° |
| O6 | C6 | O7 | H10 | 0.0° | 0.0° |
| O5 | C2 | C1 | C6 | 35.9° | 57.7° |
| O5 | C2 | C1 | O1 | 76.7° | 62.3° |
| O5 | C2 | C1 | C3 | 125.7° | 119.9° |
| O5 | C2 | C1 | H11 | 116.9° | 120.2° |
| O5 | C2 | C3 | H11 | 118.6° | 120.2° |
| O5 | C2 | C3 | C4 | 113.2° | 62.9° |
| O5 | C2 | C3 | O4 | 123.7° | 177.2° |
| O5 | C2 | C1 | H9 | 155.2° | 177.7° |
| O5 | C2 | C3 | H13 | 4.4° | 56.9° |
| O7 | C6 | C1 | O1 | 153.5° | 175.0° |
| O7 | C6 | C1 | C2 | 83.8° | 65.1° |
| O7 | C6 | C1 | H9 | 34.2° | 55.0° |
| C6 | C1 | O1 | C5 | 141.1° | 178.9° |
| C6 | C1 | O1 | C2 | 114.4° | 120.0° |
| C6 | C1 | O1 | H9 | 118.8° | 120.0° |
| C6 | C1 | C2 | H9 | 119.3° | 120.0° |
| C6 | C1 | C2 | C3 | 161.6° | 177.6° |
| C1 | C6 | O7 | H10 | 178.3° | 180.0° |
| C6 | C1 | C2 | H11 | 81.0° | 62.5° |
| O1 | C5 | O2 | C4 | 130.8° | 119.9° |
| O1 | C5 | O2 | H8 | 112.9° | 120.0° |
| O1 | C5 | O2 | C9 | 48.0° | 65.0° |
| O1 | C5 | C4 | H8 | 113.5° | 120.0° |
| C5 | O1 | C1 | C2 | 26.7° | 61.1° |
| O1 | C5 | C4 | C3 | 62.9° | 57.6° |
| O1 | C5 | C4 | O3 | 175.2° | 62.3° |
| C5 | O1 | C1 | H9 | 100.1° | 58.9° |
| O1 | C5 | C4 | H15 | 52.8° | 177.5° |
| C1 | O1 | C5 | O2 | 164.1° | 58.9° |
| C1 | O1 | C5 | C4 | 28.9° | 61.1° |
| O1 | C1 | C2 | H9 | 128.1° | 120.0° |
| O1 | C1 | C2 | C3 | 49.1° | 57.6° |
| C1 | O1 | C5 | H8 | 83.3° | 178.8° |
| O1 | C1 | C2 | H11 | 166.4° | 177.5° |
| O2 | C5 | C4 | H8 | 117.1° | 120.0° |
| C5 | O2 | C9 | C10 | 156.3° | 180.0° |
| C5 | O2 | C9 | C8 | 26.6° | 0.0° |
| O2 | C5 | C4 | C3 | 167.7° | 62.3° |
| O2 | C5 | C4 | O3 | 45.8° | 177.7° |
| O2 | C5 | C4 | H15 | 76.6° | 57.6° |
| C9 | O2 | C5 | C4 | 82.8° | 175.0° |
| O2 | C9 | C10 | C8 | 177.2° | 180.0° |
| O2 | C9 | C10 | C11 | 178.1° | 180.0° |
| O2 | C9 | C8 | C7 | 178.2° | 179.8° |
| O2 | C9 | C10 | H5 | 1.9° | 0.0° |
| O2 | C9 | C8 | H7 | 1.8° | 0.0° |
| C9 | O2 | C5 | H8 | 160.9° | 54.9° |
| C5 | C4 | C3 | C2 | 38.4° | 57.0° |
| C5 | C4 | C3 | O3 | 127.3° | 120.0° |
| C5 | C4 | C3 | H15 | 115.1° | 119.9° |
| C5 | C4 | C3 | O4 | 161.1° | 62.9° |
| C5 | C4 | O3 | H15 | 121.4° | 120.1° |
| C5 | C4 | C3 | H13 | 79.0° | 176.9° |
| C5 | C4 | O3 | H16 | 180.0° | 59.9° |
| C1 | C2 | C3 | H11 | 117.6° | 119.9° |
| C1 | C2 | C3 | C4 | 10.7° | 57.0° |
| C1 | C2 | C3 | O4 | 112.4° | 62.9° |
| C1 | C2 | O5 | H12 | 4.5° | 60.0° |
| C1 | C2 | C3 | H13 | 128.3° | 176.8° |
| C2 | C3 | C4 | O4 | 122.6° | 119.9° |
| C2 | C3 | C4 | H13 | 117.4° | 119.9° |
| C2 | C3 | O4 | H13 | 117.6° | 120.2° |
| C2 | C3 | C4 | O3 | 165.8° | 62.9° |
| C3 | C2 | C1 | H9 | 79.1° | 62.4° |
| C3 | C2 | O5 | H12 | 131.0° | 179.6° |
| C2 | C3 | O4 | H14 | 180.0° | 180.0° |
| C2 | C3 | C4 | H15 | 76.6° | 176.9° |
| C9 | C10 | C11 | H5 | 180.0° | 180.0° |
| C9 | C10 | C11 | O8 | 179.6° | 180.0° |
| C9 | C10 | C11 | C12 | 0.5° | 0.3° |
| C10 | C9 | C8 | C7 | 1.2° | 0.2° |
| C10 | C9 | C8 | H7 | 178.9° | 180.0° |
| C10 | C11 | O8 | C12 | 180.0° | 179.7° |
| C10 | C11 | O8 | C16 | 173.4° | 179.9° |
| C11 | C10 | C9 | C8 | 0.9° | 0.0° |
| C10 | C11 | C12 | C7 | 1.5° | 0.3° |
| C10 | C11 | C12 | C13 | 178.7° | 179.8° |
| C11 | O8 | C16 | O9 | 176.2° | 180.0° |
| C11 | O8 | C16 | C14 | 6.5° | 0.1° |
| O8 | C11 | C12 | C7 | 178.5° | 180.0° |
| O8 | C11 | C12 | C13 | 1.3° | 0.5° |
| O8 | C11 | C10 | H5 | 0.4° | 0.0° |
| O8 | C16 | O9 | C14 | 177.4° | 179.9° |
| C16 | O8 | C11 | C12 | 6.6° | 0.2° |
| O8 | C16 | C14 | C13 | 0.9° | 0.1° |
| O8 | C16 | C14 | H4 | 179.1° | 179.9° |
| C9 | C8 | C7 | H7 | 180.0° | 179.8° |
| C9 | C8 | C7 | C12 | 0.1° | 0.2° |
| C8 | C9 | C10 | H5 | 179.1° | 180.0° |
| C9 | C8 | C7 | H6 | 179.9° | 179.7° |
| C4 | C3 | O4 | H13 | 118.6° | 120.2° |
| C3 | C4 | O3 | H15 | 117.0° | 120.1° |
| C3 | C4 | C5 | H8 | 50.6° | 177.6° |
| C4 | C3 | C2 | H11 | 128.3° | 176.9° |
| C4 | C3 | O4 | H14 | 56.2° | 60.4° |
| C3 | C4 | O3 | H16 | 58.4° | 179.7° |
| O4 | C3 | C4 | O3 | 71.6° | 177.2° |
| O4 | C3 | C2 | H11 | 5.1° | 57.0° |
| O4 | C3 | C4 | H15 | 46.0° | 57.0° |
| O9 | C16 | C14 | C13 | 178.3° | 180.0° |
| O9 | C16 | C14 | H4 | 1.7° | 0.0° |
| C11 | C12 | C7 | C8 | 1.2° | 0.1° |
| C11 | C12 | C7 | C13 | 177.2° | 179.5° |
| C11 | C12 | C13 | C14 | 4.1° | 0.5° |
| C11 | C12 | C13 | C15 | 177.6° | 179.7° |
| C12 | C11 | C10 | H5 | 179.5° | 179.7° |
| C11 | C12 | C7 | H6 | 178.8° | 180.0° |
| O3 | C4 | C5 | H8 | 71.3° | 57.7° |
| O3 | C4 | C3 | H13 | 48.3° | 56.9° |
| C16 | C14 | C13 | C12 | 4.3° | 0.2° |
| C16 | C14 | C13 | H4 | 180.0° | 180.0° |
| C16 | C14 | C13 | C15 | 178.1° | 180.0° |
| C8 | C7 | C12 | H6 | 180.0° | 179.9° |
| C8 | C7 | C12 | C13 | 178.4° | 179.5° |
| C7 | C12 | C13 | C14 | 173.0° | 180.0° |
| C7 | C12 | C13 | C15 | 0.5° | 0.3° |
| C12 | C7 | C8 | H7 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 173.8° | 179.7° |
| C12 | C13 | C15 | H1 | 180.0° | 179.7° |
| C12 | C13 | C15 | H2 | 60.0° | 60.3° |
| C12 | C13 | C15 | H3 | 60.0° | 59.7° |
| C12 | C13 | C14 | H4 | 175.7° | 179.8° |
| C13 | C12 | C7 | H6 | 1.6° | 0.5° |
| C14 | C13 | C15 | H1 | 6.6° | 0.0° |
| C14 | C13 | C15 | H2 | 126.5° | 120.0° |
| C14 | C13 | C15 | H3 | 113.5° | 120.0° |
| C13 | C15 | H1 | H2 | 120.0° | 120.0° |
| C13 | C15 | H1 | H3 | 120.0° | 120.0° |
| C13 | C15 | H2 | H3 | 120.0° | 120.0° |
| C15 | C13 | C14 | H4 | 1.9° | 0.0° |
| H1 | C15 | H2 | H3 | 120.0° | 120.0° |
| H6 | C7 | C8 | H7 | 0.1° | 0.1° |
| H8 | C5 | C4 | H15 | 166.3° | 62.5° |
| H9 | C1 | C2 | H11 | 38.3° | 57.5° |
| H11 | C2 | O5 | H12 | 111.6° | 60.2° |
| H11 | C2 | C3 | H13 | 114.1° | 63.3° |
| H13 | C3 | O4 | H14 | 62.4° | 59.8° |
| H13 | C3 | C4 | H15 | 166.0° | 63.2° |
| H15 | C4 | O3 | H16 | 58.5° | 60.2° |
