R7O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C12 | sing | 1.36Å | 1.35Å | |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| O2 | C14 | sing | 1.36Å | 1.35Å | |
| O9 | C16 | sing | 1.43Å | 1.42Å | |
| O8 | C17 | sing | 1.43Å | 1.42Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| O7 | C18 | sing | 1.43Å | 1.42Å | |
| C14 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C15 | O4 | sing | 1.43Å | 1.41Å | |
| C15 | O5 | sing | 1.43Å | 1.41Å | |
| C19 | O5 | sing | 1.43Å | 1.44Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C11 | O4 | sing | 1.36Å | 1.37Å | |
| C11 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.41Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.47Å | 1.44Å | |
| O | C8 | doub | 1.22Å | 1.22Å | |
| C10 | O1 | sing | 1.35Å | 1.37Å | |
| C8 | C7 | sing | 1.42Å | 1.44Å | |
| O6 | C20 | sing | 1.43Å | 1.42Å | |
| O1 | C6 | sing | 1.34Å | 1.37Å | |
| C7 | C6 | doub | 1.36Å | 1.36Å | |
| C7 | O10 | sing | 1.36Å | 1.33Å | |
| C6 | C5 | sing | 1.47Å | 1.46Å | |
| C5 | C | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | O11 | sing | 1.36Å | 1.36Å | |
| C2 | O12 | sing | 1.36Å | 1.35Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| O11 | H3 | sing | 0.97Å | 0.95Å | |
| O12 | H4 | sing | 0.97Å | 0.95Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| O6 | H7 | sing | 0.97Å | 0.95Å | |
| C | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| O10 | H17 | sing | 0.97Å | 0.95Å | |
| O7 | H18 | sing | 0.97Å | 0.95Å | |
| O8 | H19 | sing | 0.97Å | 0.95Å | |
| O9 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C12 | C13 | 120.5° | 119.7° |
| O3 | C12 | C11 | 119.4° | 119.7° |
| C12 | O3 | H6 | 109.5° | 114.0° |
| C12 | C13 | C14 | 120.3° | 120.2° |
| C13 | C12 | C11 | 120.1° | 120.6° |
| C12 | C13 | H9 | 119.9° | 119.9° |
| C13 | C14 | O2 | 118.9° | 120.2° |
| C13 | C14 | C9 | 120.4° | 119.6° |
| C14 | C13 | H9 | 119.9° | 119.9° |
| O2 | C14 | C9 | 120.7° | 120.2° |
| C14 | O2 | H5 | 109.5° | 114.0° |
| O9 | C16 | C17 | 110.4° | 109.6° |
| O9 | C16 | C15 | 109.6° | 109.5° |
| O9 | C16 | H11 | 110.0° | 109.5° |
| C16 | O9 | H20 | 109.5° | 114.0° |
| O8 | C17 | C16 | 109.8° | 109.6° |
| O8 | C17 | C18 | 109.6° | 109.6° |
| O8 | C17 | H12 | 109.9° | 109.6° |
| C17 | O8 | H19 | 109.5° | 114.1° |
| C16 | C17 | C18 | 110.5° | 109.0° |
| C17 | C16 | C15 | 109.7° | 109.2° |
| C17 | C16 | H11 | 108.6° | 109.5° |
| C16 | C17 | H12 | 108.5° | 109.5° |
| C17 | C18 | O7 | 109.9° | 109.5° |
| C17 | C18 | C19 | 110.3° | 109.2° |
| C18 | C17 | H12 | 108.5° | 109.6° |
| C17 | C18 | H13 | 108.6° | 109.5° |
| C12 | C11 | O4 | 121.4° | 120.0° |
| C12 | C11 | C10 | 119.4° | 120.0° |
| O7 | C18 | C19 | 109.5° | 109.5° |
| O7 | C18 | H13 | 109.9° | 109.6° |
| C18 | O7 | H18 | 109.5° | 114.0° |
| C14 | C9 | C10 | 117.7° | 120.2° |
| C14 | C9 | C8 | 122.8° | 121.2° |
| C16 | C15 | O4 | 106.4° | 109.5° |
| C16 | C15 | O5 | 110.4° | 109.4° |
| C16 | C15 | H10 | 109.4° | 109.5° |
| C15 | C16 | H11 | 108.6° | 109.5° |
| C18 | C19 | O5 | 109.8° | 109.4° |
| C18 | C19 | C20 | 112.5° | 109.5° |
| C19 | C18 | H13 | 108.6° | 109.5° |
| C18 | C19 | H14 | 108.8° | 109.5° |
| O4 | C15 | O5 | 108.8° | 109.5° |
| C15 | O4 | C11 | 116.2° | 117.0° |
| O4 | C15 | H10 | 110.9° | 109.5° |
| C15 | O5 | C19 | 113.3° | 114.1° |
| O5 | C15 | H10 | 110.8° | 109.5° |
| O5 | C19 | C20 | 106.7° | 109.5° |
| O5 | C19 | H14 | 110.0° | 109.5° |
| C19 | C20 | O6 | 111.7° | 109.4° |
| C20 | C19 | H14 | 109.0° | 109.5° |
| C19 | C20 | H15 | 108.9° | 109.5° |
| C19 | C20 | H16 | 108.9° | 109.5° |
| O4 | C11 | C10 | 119.2° | 120.0° |
| C11 | C10 | C9 | 122.2° | 119.4° |
| C11 | C10 | O1 | 116.2° | 120.8° |
| C10 | C9 | C8 | 119.5° | 118.5° |
| C9 | C10 | O1 | 121.5° | 119.8° |
| C9 | C8 | O | 123.4° | 121.3° |
| C9 | C8 | C7 | 116.2° | 117.4° |
| O | C8 | C7 | 120.4° | 121.3° |
| C10 | O1 | C6 | 120.4° | 122.3° |
| C8 | C7 | C6 | 121.5° | 119.5° |
| C8 | C7 | O10 | 117.0° | 120.3° |
| C20 | O6 | H7 | 109.5° | 114.0° |
| O6 | C20 | H15 | 108.9° | 109.5° |
| O6 | C20 | H16 | 108.9° | 109.5° |
| O1 | C6 | C7 | 120.9° | 122.4° |
| O1 | C6 | C5 | 109.9° | 118.8° |
| C6 | C7 | O10 | 121.5° | 120.2° |
| C7 | C6 | C5 | 128.9° | 118.8° |
| C7 | O10 | H17 | 109.5° | 114.0° |
| C6 | C5 | C | 119.9° | 120.1° |
| C6 | C5 | C4 | 120.7° | 120.1° |
| C | C5 | C4 | 119.3° | 119.9° |
| C5 | C | C1 | 120.8° | 120.0° |
| C5 | C | H8 | 119.6° | 120.1° |
| C5 | C4 | C3 | 120.1° | 119.8° |
| C5 | C4 | H2 | 119.9° | 120.1° |
| C | C1 | C2 | 120.2° | 120.1° |
| C | C1 | H1 | 119.9° | 120.0° |
| C1 | C | H8 | 119.6° | 119.9° |
| C4 | C3 | C2 | 120.0° | 120.0° |
| C4 | C3 | O11 | 120.8° | 120.0° |
| C3 | C4 | H2 | 120.0° | 120.1° |
| C1 | C2 | C3 | 119.5° | 120.2° |
| C1 | C2 | O12 | 119.5° | 119.9° |
| C2 | C1 | H1 | 119.9° | 119.9° |
| C2 | C3 | O11 | 119.1° | 120.0° |
| C3 | C2 | O12 | 120.9° | 119.9° |
| C3 | O11 | H3 | 109.5° | 114.0° |
| C2 | O12 | H4 | 109.5° | 114.1° |
| H15 | C20 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C12 | C13 | C11 | 179.3° | 180.0° |
| O3 | C12 | C13 | C14 | 179.1° | 180.0° |
| O3 | C12 | C11 | O4 | 1.6° | 0.1° |
| O3 | C12 | C11 | C10 | 178.5° | 180.0° |
| O3 | C12 | C13 | H9 | 0.9° | 0.0° |
| C12 | C13 | C14 | H9 | 180.0° | 180.0° |
| C12 | C13 | C14 | O2 | 179.9° | 180.0° |
| C12 | C13 | C14 | C9 | 0.3° | 0.0° |
| C13 | C12 | C11 | O4 | 179.1° | 179.9° |
| C13 | C12 | C11 | C10 | 0.8° | 0.0° |
| C13 | C12 | O3 | H6 | 180.0° | 90.0° |
| C13 | C14 | O2 | C9 | 179.8° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C13 | C14 | C9 | C10 | 0.3° | 0.0° |
| C13 | C14 | C9 | C8 | 176.9° | 179.7° |
| C13 | C14 | O2 | H5 | 178.5° | 90.0° |
| O2 | C14 | C9 | C10 | 179.9° | 179.9° |
| O2 | C14 | C9 | C8 | 2.8° | 0.3° |
| O2 | C14 | C13 | H9 | 0.1° | 0.0° |
| O9 | C16 | C17 | O8 | 64.7° | 63.2° |
| O9 | C16 | C17 | C15 | 120.8° | 120.0° |
| O9 | C16 | C17 | H11 | 120.6° | 120.1° |
| O9 | C16 | C17 | C18 | 174.3° | 176.9° |
| O9 | C16 | C15 | H11 | 120.1° | 120.1° |
| O9 | C16 | C15 | O4 | 63.9° | 62.4° |
| O9 | C16 | C15 | O5 | 178.2° | 177.6° |
| O9 | C16 | C15 | H10 | 56.0° | 57.6° |
| O9 | C16 | C17 | H12 | 55.5° | 57.1° |
| O8 | C17 | C16 | C18 | 121.0° | 119.9° |
| O8 | C17 | C16 | H12 | 120.2° | 120.2° |
| O8 | C17 | C18 | H12 | 120.0° | 120.3° |
| O8 | C17 | C18 | O7 | 64.9° | 63.2° |
| O8 | C17 | C16 | C15 | 174.5° | 176.9° |
| O8 | C17 | C18 | C19 | 174.3° | 176.9° |
| O8 | C17 | C16 | H11 | 55.9° | 57.0° |
| O8 | C17 | C18 | H13 | 55.4° | 56.9° |
| C16 | C17 | C18 | H12 | 118.9° | 119.8° |
| C16 | C17 | C18 | O7 | 173.9° | 176.9° |
| C17 | C16 | C15 | H11 | 118.5° | 119.9° |
| C16 | C17 | C18 | C19 | 53.1° | 57.0° |
| C17 | C16 | C15 | O4 | 174.8° | 177.6° |
| C17 | C16 | C15 | O5 | 56.9° | 57.6° |
| C17 | C16 | C15 | H10 | 65.4° | 62.4° |
| C16 | C17 | C18 | H13 | 65.7° | 63.0° |
| C16 | C17 | O8 | H19 | 180.0° | 59.9° |
| C17 | C16 | O9 | H20 | 180.0° | 179.7° |
| C17 | C18 | O7 | C19 | 121.3° | 119.7° |
| C17 | C18 | O7 | H13 | 119.5° | 120.1° |
| C18 | C17 | C16 | C15 | 53.5° | 57.0° |
| C17 | C18 | C19 | H13 | 118.9° | 119.9° |
| C17 | C18 | C19 | O5 | 55.2° | 57.6° |
| C17 | C18 | C19 | C20 | 173.9° | 177.6° |
| C18 | C17 | C16 | H11 | 65.1° | 63.0° |
| C17 | C18 | C19 | H14 | 65.3° | 62.3° |
| C17 | C18 | O7 | H18 | 180.0° | 60.0° |
| C18 | C17 | O8 | H19 | 58.5° | 179.5° |
| C12 | C11 | O4 | C15 | 88.0° | 90.1° |
| C12 | C11 | O4 | C10 | 179.9° | 179.9° |
| C12 | C11 | C10 | C9 | 0.8° | 0.1° |
| C12 | C11 | C10 | O1 | 176.4° | 180.0° |
| C11 | C12 | O3 | H6 | 0.7° | 89.9° |
| C11 | C12 | C13 | H9 | 179.8° | 180.0° |
| O7 | C18 | C19 | H13 | 120.0° | 120.2° |
| O7 | C18 | C19 | O5 | 176.2° | 177.5° |
| O7 | C18 | C19 | C20 | 65.0° | 62.5° |
| O7 | C18 | C17 | H12 | 55.1° | 57.0° |
| O7 | C18 | C19 | H14 | 55.8° | 57.5° |
| C14 | C9 | C10 | C11 | 0.3° | 0.1° |
| C14 | C9 | C10 | C8 | 177.3° | 179.8° |
| C14 | C9 | C8 | O | 3.2° | 0.0° |
| C14 | C9 | C10 | O1 | 176.8° | 180.0° |
| C14 | C9 | C8 | C7 | 176.1° | 180.0° |
| C9 | C14 | O2 | H5 | 1.3° | 90.0° |
| C9 | C14 | C13 | H9 | 179.7° | 180.0° |
| C16 | C15 | O4 | O5 | 119.0° | 120.0° |
| C16 | C15 | O4 | H10 | 118.8° | 120.0° |
| C16 | C15 | O5 | H10 | 121.4° | 120.0° |
| C16 | C15 | O5 | C19 | 61.7° | 61.1° |
| C16 | C15 | O4 | C11 | 133.5° | 175.1° |
| C15 | C16 | C17 | H12 | 65.4° | 62.9° |
| C15 | C16 | O9 | H20 | 59.1° | 60.0° |
| C18 | C19 | O5 | C15 | 60.6° | 61.2° |
| C18 | C19 | O5 | C20 | 122.2° | 120.0° |
| C18 | C19 | O5 | H14 | 119.7° | 120.0° |
| C18 | C19 | C20 | H14 | 120.7° | 120.1° |
| C18 | C19 | C20 | O6 | 155.7° | 175.0° |
| C19 | C18 | C17 | H12 | 65.7° | 62.8° |
| C18 | C19 | C20 | H15 | 35.4° | 65.0° |
| C18 | C19 | C20 | H16 | 84.0° | 55.1° |
| C19 | C18 | O7 | H18 | 58.7° | 179.7° |
| O4 | C15 | O5 | H10 | 122.2° | 120.0° |
| O4 | C15 | O5 | C19 | 178.1° | 178.8° |
| C15 | O4 | C11 | C10 | 92.1° | 90.0° |
| O4 | C15 | C16 | H11 | 56.3° | 57.7° |
| C15 | O5 | C19 | C20 | 177.2° | 178.9° |
| O5 | C15 | O4 | C11 | 107.5° | 65.0° |
| O5 | C15 | C16 | H11 | 61.6° | 62.3° |
| C15 | O5 | C19 | H14 | 59.1° | 58.8° |
| O5 | C19 | C20 | H14 | 118.8° | 120.0° |
| O5 | C19 | C20 | O6 | 83.8° | 65.1° |
| C19 | O5 | C15 | H10 | 59.6° | 58.8° |
| O5 | C19 | C18 | H13 | 63.7° | 62.3° |
| O5 | C19 | C20 | H15 | 155.9° | 54.9° |
| O5 | C19 | C20 | H16 | 36.5° | 175.0° |
| C19 | C20 | O6 | H15 | 120.3° | 120.0° |
| C19 | C20 | O6 | H16 | 120.3° | 120.0° |
| C19 | C20 | O6 | H7 | 180.0° | 179.9° |
| C20 | C19 | C18 | H13 | 55.0° | 57.7° |
| C19 | C20 | H15 | H16 | 119.0° | 120.0° |
| O4 | C11 | C10 | C9 | 179.1° | 180.0° |
| O4 | C11 | C10 | O1 | 3.7° | 0.1° |
| C11 | O4 | C15 | H10 | 14.7° | 55.0° |
| C11 | C10 | C9 | O1 | 177.1° | 179.9° |
| C11 | C10 | C9 | C8 | 177.6° | 179.7° |
| C11 | C10 | O1 | C6 | 176.1° | 179.9° |
| C10 | C9 | C8 | O | 179.6° | 179.8° |
| C10 | C9 | C8 | C7 | 1.1° | 0.2° |
| C9 | C10 | O1 | C6 | 1.2° | 0.0° |
| C9 | C8 | O | C7 | 179.3° | 180.0° |
| C8 | C9 | C10 | O1 | 0.5° | 0.2° |
| C9 | C8 | C7 | C6 | 0.1° | 0.1° |
| C9 | C8 | C7 | O10 | 179.4° | 180.0° |
| O | C8 | C7 | C6 | 179.4° | 180.0° |
| O | C8 | C7 | O10 | 0.1° | 0.0° |
| C10 | O1 | C6 | C7 | 2.2° | 0.3° |
| C10 | O1 | C6 | C5 | 172.4° | 179.9° |
| C8 | C7 | C6 | O1 | 1.6° | 0.3° |
| C8 | C7 | C6 | O10 | 179.4° | 179.9° |
| C8 | C7 | C6 | C5 | 171.9° | 180.0° |
| C8 | C7 | O10 | H17 | 0.0° | 0.0° |
| O6 | C20 | C19 | H14 | 35.0° | 55.0° |
| O6 | C20 | H15 | H16 | 119.0° | 120.0° |
| O1 | C6 | C7 | C5 | 173.5° | 179.7° |
| O1 | C6 | C7 | O10 | 179.0° | 179.8° |
| O1 | C6 | C5 | C | 163.2° | 132.2° |
| O1 | C6 | C5 | C4 | 13.3° | 47.2° |
| C7 | C6 | C5 | C | 10.9° | 47.5° |
| C7 | C6 | C5 | C4 | 172.7° | 133.1° |
| C6 | C7 | O10 | H17 | 179.4° | 180.0° |
| O10 | C7 | C6 | C5 | 7.6° | 0.1° |
| C6 | C5 | C | C4 | 176.5° | 179.5° |
| C6 | C5 | C | C1 | 174.8° | 180.0° |
| C6 | C5 | C4 | C3 | 175.8° | 179.8° |
| C6 | C5 | C4 | H2 | 4.3° | 0.3° |
| C6 | C5 | C | H8 | 5.2° | 0.5° |
| C5 | C | C1 | H8 | 180.0° | 179.5° |
| C | C5 | C4 | C3 | 0.7° | 0.3° |
| C5 | C | C1 | C2 | 0.7° | 0.5° |
| C5 | C | C1 | H1 | 179.3° | 179.8° |
| C | C5 | C4 | H2 | 179.3° | 179.8° |
| C4 | C5 | C | C1 | 1.7° | 0.5° |
| C5 | C4 | C3 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 1.3° | 0.0° |
| C5 | C4 | C3 | O11 | 176.7° | 180.0° |
| C4 | C5 | C | H8 | 178.3° | 180.0° |
| C | C1 | C2 | H1 | 180.0° | 179.7° |
| C | C1 | C2 | C3 | 1.2° | 0.3° |
| C | C1 | C2 | O12 | 176.5° | 179.8° |
| C4 | C3 | C2 | C1 | 2.2° | 0.0° |
| C4 | C3 | C2 | O11 | 178.0° | 180.0° |
| C4 | C3 | C2 | O12 | 175.5° | 180.0° |
| C4 | C3 | O11 | H3 | 180.0° | 90.0° |
| C1 | C2 | C3 | O12 | 177.7° | 180.0° |
| C1 | C2 | C3 | O11 | 175.8° | 180.0° |
| C1 | C2 | O12 | H4 | 180.0° | 90.0° |
| C2 | C1 | C | H8 | 179.3° | 180.0° |
| C3 | C2 | C1 | H1 | 178.8° | 180.0° |
| C2 | C3 | C4 | H2 | 178.8° | 180.0° |
| C2 | C3 | O11 | H3 | 2.0° | 89.9° |
| C3 | C2 | O12 | H4 | 2.3° | 90.0° |
| O11 | C3 | C2 | O12 | 6.5° | 0.0° |
| O11 | C3 | C4 | H2 | 3.3° | 0.0° |
| O12 | C2 | C1 | H1 | 3.5° | 0.0° |
| H1 | C1 | C | H8 | 0.7° | 0.2° |
| H7 | O6 | C20 | H15 | 59.6° | 60.1° |
| H7 | O6 | C20 | H16 | 59.7° | 60.0° |
| H10 | C15 | C16 | H11 | 176.1° | 177.7° |
| H11 | C16 | C17 | H12 | 176.1° | 177.2° |
| H11 | C16 | O9 | H20 | 60.3° | 60.1° |
| H12 | C17 | C18 | H13 | 175.4° | 177.2° |
| H12 | C17 | O8 | H19 | 60.7° | 60.2° |
| H13 | C18 | C19 | H14 | 175.8° | 177.7° |
| H13 | C18 | O7 | H18 | 60.5° | 60.1° |
| H14 | C19 | C20 | H15 | 85.3° | 174.9° |
| H14 | C19 | C20 | H16 | 155.3° | 65.0° |
