7OU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C5 | sing | 1.43Å | 1.43Å | |
| O5 | C4 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | C2 | sing | 1.53Å | 1.54Å | |
| C14 | O9 | sing | 1.43Å | 1.45Å | |
| C14 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | O2 | sing | 1.43Å | 1.46Å | |
| C2 | O4 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C3 | sing | 1.36Å | 1.39Å | |
| C3 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C7 | sing | 1.40Å | 1.42Å | Aromatic |
| O7 | C9 | sing | 1.36Å | 1.34Å | |
| C9 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.46Å | 1.44Å | |
| C7 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
| C12 | C15 | doub | 1.36Å | 1.34Å | |
| C11 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | O3 | sing | 1.35Å | 1.38Å | |
| C15 | C13 | sing | 1.41Å | 1.42Å | |
| O3 | C13 | sing | 1.34Å | 1.39Å | |
| C13 | O8 | doub | 1.22Å | 1.21Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| O5 | H2 | sing | 0.97Å | 0.95Å | |
| O6 | H3 | sing | 0.97Å | 0.95Å | |
| O7 | H4 | sing | 0.97Å | 0.95Å | |
| O9 | H5 | sing | 0.97Å | 0.95Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C5 | C4 | 111.5° | 109.5° |
| O6 | C5 | C6 | 107.4° | 109.5° |
| C5 | O6 | H3 | 109.5° | 114.0° |
| O6 | C5 | H9 | 110.3° | 109.5° |
| O5 | C4 | C5 | 111.9° | 109.5° |
| O5 | C4 | C2 | 107.5° | 109.6° |
| C4 | O5 | H2 | 109.5° | 114.0° |
| O5 | C4 | H8 | 109.5° | 109.6° |
| C4 | C5 | C6 | 109.8° | 109.2° |
| C5 | C4 | C2 | 111.2° | 109.0° |
| C5 | C4 | H8 | 108.4° | 109.6° |
| C4 | C5 | H9 | 108.9° | 109.5° |
| C5 | C6 | C14 | 113.0° | 109.5° |
| C5 | C6 | O2 | 109.3° | 109.4° |
| C6 | C5 | H9 | 108.9° | 109.6° |
| C5 | C6 | H10 | 108.7° | 109.5° |
| C4 | C2 | O4 | 111.1° | 109.5° |
| C4 | C2 | C1 | 108.8° | 109.2° |
| C4 | C2 | H7 | 107.5° | 109.6° |
| C2 | C4 | H8 | 108.3° | 109.5° |
| O9 | C14 | C6 | 111.2° | 109.5° |
| C14 | O9 | H5 | 109.5° | 114.0° |
| O9 | C14 | H14 | 109.0° | 109.5° |
| O9 | C14 | H15 | 109.0° | 109.4° |
| C14 | C6 | O2 | 107.2° | 109.5° |
| C14 | C6 | H10 | 109.0° | 109.5° |
| C6 | C14 | H14 | 109.1° | 109.5° |
| C6 | C14 | H15 | 109.0° | 109.5° |
| C6 | O2 | C1 | 111.3° | 114.1° |
| O2 | C6 | H10 | 109.7° | 109.4° |
| O4 | C2 | C1 | 112.8° | 109.5° |
| C2 | O4 | H1 | 109.5° | 114.0° |
| O4 | C2 | H7 | 108.8° | 109.5° |
| C2 | C1 | O2 | 111.6° | 109.4° |
| C2 | C1 | O1 | 108.2° | 109.5° |
| C2 | C1 | H6 | 108.8° | 109.5° |
| C1 | C2 | H7 | 107.6° | 109.5° |
| O2 | C1 | O1 | 108.1° | 109.4° |
| O2 | C1 | H6 | 110.1° | 109.5° |
| C1 | O1 | C3 | 116.8° | 117.0° |
| O1 | C1 | H6 | 110.1° | 109.5° |
| O1 | C3 | C10 | 121.9° | 120.0° |
| O1 | C3 | C9 | 118.6° | 119.9° |
| C10 | C3 | C9 | 119.5° | 120.1° |
| C3 | C10 | C7 | 120.6° | 119.7° |
| C3 | C10 | H11 | 119.7° | 120.1° |
| C3 | C9 | O7 | 116.9° | 119.7° |
| C3 | C9 | C11 | 121.6° | 120.5° |
| C10 | C7 | C12 | 124.4° | 120.9° |
| C10 | C7 | C8 | 118.1° | 120.1° |
| C7 | C10 | H11 | 119.7° | 120.2° |
| O7 | C9 | C11 | 121.4° | 119.7° |
| C9 | O7 | H4 | 109.5° | 114.0° |
| C9 | C11 | C8 | 117.9° | 120.0° |
| C9 | C11 | H12 | 121.0° | 120.0° |
| C12 | C7 | C8 | 117.5° | 119.0° |
| C7 | C12 | C15 | 120.9° | 118.2° |
| C7 | C12 | H13 | 119.6° | 120.9° |
| C7 | C8 | C11 | 122.2° | 119.6° |
| C7 | C8 | O3 | 120.8° | 119.9° |
| C12 | C15 | C13 | 121.4° | 119.9° |
| C15 | C12 | H13 | 119.6° | 120.9° |
| C12 | C15 | H16 | 119.3° | 120.1° |
| C11 | C8 | O3 | 117.0° | 120.6° |
| C8 | C11 | H12 | 121.0° | 120.0° |
| C8 | O3 | C13 | 121.6° | 121.5° |
| C15 | C13 | O3 | 117.8° | 121.7° |
| C15 | C13 | O8 | 126.1° | 119.2° |
| C13 | C15 | H16 | 119.3° | 120.0° |
| O3 | C13 | O8 | 116.1° | 119.1° |
| H14 | C14 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C5 | C4 | O5 | 67.0° | 63.2° |
| O6 | C5 | C4 | C6 | 118.9° | 119.9° |
| O6 | C5 | C4 | H9 | 121.9° | 120.1° |
| O6 | C5 | C6 | H9 | 119.4° | 120.2° |
| O6 | C5 | C4 | C2 | 172.7° | 176.9° |
| O6 | C5 | C6 | C14 | 61.8° | 62.5° |
| O6 | C5 | C6 | O2 | 179.0° | 177.5° |
| O6 | C5 | C4 | H8 | 53.8° | 57.0° |
| O6 | C5 | C6 | H10 | 59.3° | 57.6° |
| O5 | C4 | C5 | C2 | 120.3° | 119.9° |
| O5 | C4 | C5 | H8 | 120.8° | 120.2° |
| O5 | C4 | C5 | C6 | 174.1° | 176.8° |
| O5 | C4 | C2 | H8 | 118.2° | 120.2° |
| O5 | C4 | C2 | O4 | 60.2° | 63.3° |
| O5 | C4 | C2 | C1 | 175.1° | 176.8° |
| O5 | C4 | C2 | H7 | 58.8° | 56.9° |
| O5 | C4 | C5 | H9 | 54.9° | 56.9° |
| C4 | C5 | C6 | H9 | 119.2° | 119.9° |
| C5 | C4 | C2 | H8 | 118.9° | 119.9° |
| C4 | C5 | C6 | C14 | 176.8° | 177.6° |
| C4 | C5 | C6 | O2 | 57.5° | 57.6° |
| C5 | C4 | C2 | O4 | 177.0° | 176.9° |
| C5 | C4 | C2 | C1 | 52.3° | 57.0° |
| C5 | C4 | O5 | H2 | 180.0° | 179.6° |
| C4 | C5 | O6 | H3 | 180.0° | 60.0° |
| C5 | C4 | C2 | H7 | 64.0° | 63.0° |
| C4 | C5 | C6 | H10 | 62.1° | 62.4° |
| C6 | C5 | C4 | C2 | 53.8° | 57.0° |
| C5 | C6 | C14 | O9 | 51.8° | 175.0° |
| C5 | C6 | C14 | O2 | 120.5° | 120.0° |
| C5 | C6 | C14 | H10 | 120.9° | 120.0° |
| C5 | C6 | O2 | H10 | 119.0° | 119.9° |
| C5 | C6 | O2 | C1 | 62.8° | 61.1° |
| C6 | C5 | O6 | H3 | 59.7° | 179.6° |
| C6 | C5 | C4 | H8 | 65.1° | 62.9° |
| C5 | C6 | C14 | H14 | 68.5° | 65.0° |
| C5 | C6 | C14 | H15 | 172.0° | 55.1° |
| C4 | C2 | O4 | C1 | 122.4° | 119.7° |
| C4 | C2 | O4 | H7 | 118.2° | 120.2° |
| C4 | C2 | C1 | H7 | 116.2° | 120.0° |
| C4 | C2 | C1 | O2 | 56.6° | 57.6° |
| C4 | C2 | C1 | O1 | 175.4° | 177.6° |
| C4 | C2 | O4 | H1 | 180.0° | 179.7° |
| C2 | C4 | O5 | H2 | 57.6° | 60.0° |
| C4 | C2 | C1 | H6 | 65.1° | 62.4° |
| C2 | C4 | C5 | H9 | 65.4° | 63.0° |
| O9 | C14 | C6 | H14 | 120.3° | 120.0° |
| O9 | C14 | C6 | H15 | 120.2° | 119.9° |
| O9 | C14 | C6 | O2 | 68.7° | 65.1° |
| O9 | C14 | C6 | H10 | 172.7° | 54.9° |
| O9 | C14 | H14 | H15 | 119.2° | 120.0° |
| C14 | C6 | O2 | H10 | 118.2° | 120.1° |
| C14 | C6 | O2 | C1 | 174.4° | 178.9° |
| C6 | C14 | O9 | H5 | 180.0° | 180.0° |
| C14 | C6 | C5 | H9 | 57.6° | 57.7° |
| C6 | C14 | H14 | H15 | 119.2° | 120.0° |
| C6 | O2 | C1 | C2 | 63.2° | 61.1° |
| C6 | O2 | C1 | O1 | 178.0° | 178.9° |
| C6 | O2 | C1 | H6 | 57.8° | 58.9° |
| O2 | C6 | C5 | H9 | 61.7° | 62.3° |
| O2 | C6 | C14 | H14 | 171.1° | 55.0° |
| O2 | C6 | C14 | H15 | 51.6° | 175.0° |
| O4 | C2 | C1 | H7 | 120.1° | 120.1° |
| O4 | C2 | C1 | O2 | 179.7° | 177.5° |
| O4 | C2 | C1 | O1 | 60.9° | 62.5° |
| O4 | C2 | C1 | H6 | 58.6° | 57.5° |
| O4 | C2 | C4 | H8 | 58.0° | 57.0° |
| C2 | C1 | O2 | O1 | 118.8° | 120.0° |
| C2 | C1 | O2 | H6 | 120.9° | 120.0° |
| C2 | C1 | O1 | H6 | 118.8° | 120.0° |
| C2 | C1 | O1 | C3 | 158.7° | 175.0° |
| C1 | C2 | O4 | H1 | 57.6° | 60.0° |
| C1 | C2 | C4 | H8 | 66.7° | 63.0° |
| O2 | C1 | O1 | H6 | 120.3° | 120.1° |
| O2 | C1 | O1 | C3 | 80.3° | 65.0° |
| O2 | C1 | C2 | H7 | 59.6° | 62.3° |
| C1 | O2 | C6 | H10 | 56.3° | 58.8° |
| C1 | O1 | C3 | C10 | 70.0° | 0.1° |
| C1 | O1 | C3 | C9 | 108.3° | 179.9° |
| O1 | C1 | C2 | H7 | 59.1° | 57.6° |
| O1 | C3 | C10 | C9 | 178.2° | 180.0° |
| O1 | C3 | C10 | C7 | 178.8° | 180.0° |
| O1 | C3 | C9 | O7 | 1.6° | 0.1° |
| O1 | C3 | C9 | C11 | 179.4° | 180.0° |
| C3 | O1 | C1 | H6 | 40.0° | 55.0° |
| O1 | C3 | C10 | H11 | 1.2° | 0.1° |
| C3 | C10 | C7 | H11 | 180.0° | 179.9° |
| C10 | C3 | C9 | O7 | 179.9° | 180.0° |
| C10 | C3 | C9 | C11 | 1.1° | 0.1° |
| C3 | C10 | C7 | C12 | 179.0° | 180.0° |
| C3 | C10 | C7 | C8 | 0.0° | 0.0° |
| C9 | C3 | C10 | C7 | 0.6° | 0.0° |
| C3 | C9 | O7 | C11 | 179.0° | 179.9° |
| C3 | C9 | C11 | C8 | 1.2° | 0.1° |
| C3 | C9 | O7 | H4 | 180.0° | 90.0° |
| C9 | C3 | C10 | H11 | 179.4° | 179.9° |
| C3 | C9 | C11 | H12 | 178.8° | 180.0° |
| C10 | C7 | C12 | C8 | 179.0° | 180.0° |
| C10 | C7 | C12 | C15 | 180.0° | 180.0° |
| C10 | C7 | C8 | C11 | 0.1° | 0.0° |
| C10 | C7 | C8 | O3 | 179.5° | 180.0° |
| C10 | C7 | C12 | H13 | 0.1° | 0.0° |
| O7 | C9 | C11 | C8 | 179.9° | 180.0° |
| O7 | C9 | C11 | H12 | 0.1° | 0.1° |
| C9 | C11 | C8 | C7 | 0.6° | 0.0° |
| C9 | C11 | C8 | H12 | 180.0° | 180.0° |
| C9 | C11 | C8 | O3 | 179.9° | 179.9° |
| C11 | C9 | O7 | H4 | 1.0° | 90.1° |
| C7 | C12 | C15 | H13 | 180.0° | 180.0° |
| C12 | C7 | C8 | C11 | 179.0° | 180.0° |
| C12 | C7 | C8 | O3 | 0.4° | 0.1° |
| C7 | C12 | C15 | C13 | 0.8° | 0.0° |
| C12 | C7 | C10 | H11 | 1.0° | 0.1° |
| C7 | C12 | C15 | H16 | 179.1° | 180.0° |
| C8 | C7 | C12 | C15 | 0.9° | 0.1° |
| C7 | C8 | C11 | O3 | 179.5° | 180.0° |
| C7 | C8 | O3 | C13 | 0.2° | 0.0° |
| C8 | C7 | C10 | H11 | 180.0° | 180.0° |
| C7 | C8 | C11 | H12 | 179.4° | 180.0° |
| C8 | C7 | C12 | H13 | 179.1° | 180.0° |
| C12 | C15 | C13 | H16 | 180.0° | 180.0° |
| C12 | C15 | C13 | O3 | 0.2° | 0.0° |
| C12 | C15 | C13 | O8 | 179.2° | 180.0° |
| C11 | C8 | O3 | C13 | 179.7° | 180.0° |
| C8 | O3 | C13 | C15 | 0.3° | 0.0° |
| C8 | O3 | C13 | O8 | 179.7° | 180.0° |
| O3 | C8 | C11 | H12 | 0.1° | 0.0° |
| C15 | C13 | O3 | O8 | 179.4° | 180.0° |
| C13 | C15 | C12 | H13 | 179.2° | 180.0° |
| O3 | C13 | C15 | H16 | 179.8° | 180.0° |
| O8 | C13 | C15 | H16 | 0.8° | 0.0° |
| H1 | O4 | C2 | H7 | 61.8° | 60.1° |
| H2 | O5 | C4 | H8 | 59.8° | 60.2° |
| H3 | O6 | C5 | H9 | 58.8° | 60.2° |
| H5 | O9 | C14 | H14 | 59.7° | 59.9° |
| H5 | O9 | C14 | H15 | 59.8° | 60.1° |
| H6 | C1 | C2 | H7 | 178.7° | 177.6° |
| H7 | C2 | C4 | H8 | 177.0° | 177.1° |
| H8 | C4 | C5 | H9 | 175.7° | 177.1° |
| H9 | C5 | C6 | H10 | 178.7° | 177.7° |
| H10 | C6 | C14 | H14 | 52.5° | 175.0° |
| H10 | C6 | C14 | H15 | 67.0° | 65.0° |
| H13 | C12 | C15 | H16 | 0.8° | 0.0° |
