369
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.41Å | 1.38Å | Aromatic |
| C10 | O2 | sing | 1.36Å | 1.39Å | |
| C10 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | O4 | sing | 1.36Å | 1.37Å | |
| C23 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
| C4 | C9 | sing | 1.42Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.37Å | 1.37Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.37Å | |
| C6 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.38Å | Aromatic |
| O2 | C11 | sing | 1.36Å | 1.39Å | |
| C11 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | O3 | sing | 1.36Å | 1.38Å | |
| C17 | C18 | sing | 1.48Å | 1.43Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | O2 | 121.4° | 120.3° |
| C9 | C10 | C17 | 120.7° | 119.4° |
| C10 | C9 | C4 | 118.4° | 119.4° |
| C10 | C9 | C8 | 122.1° | 121.0° |
| O2 | C10 | C17 | 118.0° | 120.3° |
| C10 | O2 | C11 | 117.1° | 118.0° |
| C10 | C17 | C2 | 120.3° | 120.4° |
| C10 | C17 | C18 | 121.0° | 119.8° |
| C13 | C12 | C11 | 119.9° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C12 | C11 | O2 | 122.8° | 120.0° |
| C12 | C11 | C16 | 119.8° | 120.0° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C13 | C14 | C15 | 120.6° | 120.0° |
| C13 | C14 | O3 | 118.5° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C14 | C15 | C16 | 119.4° | 120.0° |
| C15 | C14 | O3 | 120.9° | 120.0° |
| C14 | C15 | H15 | 120.3° | 120.0° |
| C15 | C16 | C11 | 120.3° | 120.0° |
| C16 | C15 | H15 | 120.3° | 120.0° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C18 | C19 | C20 | 121.3° | 120.0° |
| C19 | C18 | C23 | 120.1° | 119.8° |
| C19 | C18 | C17 | 116.3° | 120.1° |
| C18 | C19 | H19 | 119.3° | 120.0° |
| C19 | C20 | C21 | 119.2° | 120.1° |
| C20 | C19 | H19 | 119.3° | 120.0° |
| C19 | C20 | H20 | 120.4° | 119.9° |
| C22 | C21 | C20 | 118.9° | 120.2° |
| C21 | C22 | C23 | 122.7° | 120.0° |
| C21 | C22 | O4 | 117.4° | 120.0° |
| C22 | C21 | H21 | 120.6° | 119.9° |
| C20 | C21 | H21 | 120.5° | 119.9° |
| C21 | C20 | H20 | 120.4° | 120.0° |
| C23 | C22 | O4 | 119.9° | 120.0° |
| C22 | C23 | C18 | 117.8° | 119.8° |
| C22 | C23 | H23 | 121.1° | 120.1° |
| C22 | O4 | HO4 | 109.5° | 114.0° |
| C23 | C18 | C17 | 123.6° | 120.1° |
| C18 | C23 | H23 | 121.1° | 120.1° |
| C1 | C2 | C3 | 119.0° | 119.5° |
| C1 | C2 | C17 | 121.8° | 119.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.4° | 109.5° |
| C3 | C2 | C17 | 119.2° | 121.0° |
| C2 | C3 | C4 | 120.4° | 120.1° |
| C2 | C3 | H3 | 119.8° | 119.9° |
| C2 | C17 | C18 | 118.7° | 119.7° |
| C3 | C4 | C5 | 117.9° | 121.0° |
| C3 | C4 | C9 | 121.2° | 119.7° |
| C4 | C3 | H3 | 119.8° | 120.0° |
| C5 | C4 | C9 | 121.0° | 119.3° |
| C4 | C5 | C6 | 118.9° | 119.7° |
| C4 | C5 | H5 | 120.6° | 120.1° |
| C4 | C9 | C8 | 119.5° | 119.5° |
| C5 | C6 | O1 | 117.4° | 119.6° |
| C5 | C6 | C7 | 121.6° | 120.9° |
| C6 | C5 | H5 | 120.6° | 120.2° |
| O1 | C6 | C7 | 121.0° | 119.5° |
| C6 | O1 | HO1 | 109.5° | 114.0° |
| C6 | C7 | C8 | 118.9° | 120.8° |
| C6 | C7 | H7 | 120.5° | 119.6° |
| C7 | C8 | C9 | 120.2° | 119.8° |
| C8 | C7 | H7 | 120.6° | 119.6° |
| C7 | C8 | H8 | 119.9° | 120.1° |
| C9 | C8 | H8 | 119.9° | 120.1° |
| O2 | C11 | C16 | 117.3° | 120.0° |
| C11 | C16 | H16 | 119.8° | 120.0° |
| C14 | O3 | HO3 | 109.5° | 114.1° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | O2 | C17 | 180.0° | 179.7° |
| C9 | C10 | C17 | C2 | 0.2° | 0.0° |
| C10 | C9 | C4 | C3 | 0.0° | 0.5° |
| C10 | C9 | C4 | C5 | 179.6° | 179.9° |
| C10 | C9 | C4 | C8 | 179.4° | 180.0° |
| C10 | C9 | C8 | C7 | 179.6° | 178.9° |
| C9 | C10 | O2 | C11 | 85.5° | 90.0° |
| C9 | C10 | C17 | C18 | 177.0° | 180.0° |
| C10 | C9 | C8 | H8 | 0.4° | 0.4° |
| C10 | O2 | C11 | C12 | 10.4° | 180.0° |
| O2 | C10 | C17 | C2 | 179.7° | 179.7° |
| O2 | C10 | C9 | C4 | 179.6° | 179.9° |
| O2 | C10 | C9 | C8 | 0.2° | 0.1° |
| C10 | O2 | C11 | C16 | 170.1° | 0.0° |
| O2 | C10 | C17 | C18 | 3.1° | 0.3° |
| C10 | C17 | C18 | C19 | 79.4° | 65.0° |
| C10 | C17 | C18 | C23 | 101.9° | 115.0° |
| C10 | C17 | C2 | C1 | 179.7° | 180.0° |
| C10 | C17 | C2 | C3 | 0.4° | 0.0° |
| C10 | C17 | C2 | C18 | 177.2° | 180.0° |
| C17 | C10 | C9 | C4 | 0.4° | 0.3° |
| C17 | C10 | C9 | C8 | 179.8° | 179.8° |
| C17 | C10 | O2 | C11 | 94.4° | 89.7° |
| C13 | C12 | C11 | H12 | 180.0° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | C11 | O2 | 179.4° | 180.0° |
| C13 | C12 | C11 | C16 | 0.0° | 0.0° |
| C12 | C13 | C14 | O3 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | C16 | C15 | 0.1° | 0.0° |
| C12 | C11 | O2 | C16 | 179.5° | 180.0° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C12 | C11 | C16 | H16 | 179.9° | 180.0° |
| C13 | C14 | C15 | O3 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C14 | C13 | C12 | H12 | 180.0° | 179.7° |
| C13 | C14 | C15 | H15 | 179.7° | 180.0° |
| C13 | C14 | O3 | HO3 | 12.4° | 90.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 0.3° | 0.0° |
| C15 | C14 | C13 | H13 | 179.8° | 180.0° |
| C15 | C14 | O3 | HO3 | 167.4° | 90.0° |
| C14 | C15 | C16 | H16 | 179.7° | 180.0° |
| C15 | C16 | C11 | O2 | 179.6° | 180.0° |
| C15 | C16 | C11 | H16 | 180.0° | 180.0° |
| C16 | C15 | C14 | O3 | 179.9° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C19 | C18 | C23 | C22 | 0.1° | 0.1° |
| C19 | C18 | C23 | C17 | 178.6° | 179.9° |
| C19 | C18 | C17 | C2 | 97.8° | 115.0° |
| C19 | C18 | C23 | H23 | 179.9° | 180.0° |
| C18 | C19 | C20 | H20 | 179.9° | 179.9° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C20 | C19 | C18 | C23 | 0.1° | 0.1° |
| C20 | C19 | C18 | C17 | 178.6° | 180.0° |
| C19 | C20 | C21 | H21 | 179.8° | 179.9° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C21 | C22 | C23 | O4 | 179.7° | 180.0° |
| C21 | C22 | C23 | C18 | 0.3° | 0.1° |
| C21 | C22 | C23 | H23 | 179.7° | 180.0° |
| C22 | C21 | C20 | H20 | 179.8° | 179.9° |
| C21 | C22 | O4 | HO4 | 154.0° | 89.9° |
| C20 | C21 | C22 | C23 | 0.4° | 0.0° |
| C20 | C21 | C22 | O4 | 180.0° | 180.0° |
| C21 | C20 | C19 | H19 | 179.9° | 179.7° |
| C22 | C23 | C18 | H23 | 180.0° | 180.0° |
| C22 | C23 | C18 | C17 | 178.7° | 180.0° |
| C23 | C22 | C21 | H21 | 179.6° | 179.9° |
| C23 | C22 | O4 | HO4 | 26.3° | 90.1° |
| O4 | C22 | C23 | C18 | 180.0° | 180.0° |
| O4 | C22 | C21 | H21 | 0.0° | 0.0° |
| O4 | C22 | C23 | H23 | 0.0° | 0.0° |
| C23 | C18 | C17 | C2 | 80.9° | 65.0° |
| C23 | C18 | C19 | H19 | 179.9° | 179.7° |
| C1 | C2 | C3 | C17 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 179.2° | 179.8° |
| C1 | C2 | C17 | C18 | 2.4° | 0.0° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.1° |
| C1 | C2 | C3 | H3 | 0.8° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 179.8° | 180.0° |
| C2 | C3 | C4 | C9 | 0.6° | 0.5° |
| C3 | C2 | C17 | C18 | 177.6° | 180.0° |
| C3 | C2 | C1 | H1 | 97.2° | 90.0° |
| C3 | C2 | C1 | H1A | 22.8° | 150.0° |
| C3 | C2 | C1 | H1B | 142.7° | 30.0° |
| C17 | C2 | C3 | C4 | 0.8° | 0.2° |
| C17 | C2 | C1 | H1 | 82.7° | 90.0° |
| C17 | C2 | C1 | H1A | 157.3° | 30.0° |
| C17 | C2 | C1 | H1B | 37.3° | 150.0° |
| C17 | C2 | C3 | H3 | 179.2° | 180.0° |
| C3 | C4 | C5 | C9 | 179.6° | 179.6° |
| C3 | C4 | C5 | C6 | 179.6° | 179.9° |
| C3 | C4 | C9 | C8 | 179.4° | 179.5° |
| C3 | C4 | C5 | H5 | 0.3° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O1 | 179.9° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C5 | C4 | C9 | C8 | 0.2° | 0.0° |
| C5 | C4 | C3 | H3 | 0.3° | 0.2° |
| C9 | C4 | C5 | C6 | 0.0° | 0.5° |
| C4 | C9 | C8 | C7 | 0.3° | 1.1° |
| C9 | C4 | C3 | H3 | 179.4° | 179.7° |
| C9 | C4 | C5 | H5 | 180.0° | 179.5° |
| C4 | C9 | C8 | H8 | 179.7° | 179.5° |
| C5 | C6 | O1 | C7 | 179.6° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 1.1° |
| C5 | C6 | O1 | HO1 | 83.8° | 90.0° |
| C5 | C6 | C7 | H7 | 179.8° | 180.0° |
| O1 | C6 | C7 | C8 | 179.9° | 178.9° |
| O1 | C6 | C5 | H5 | 0.1° | 0.0° |
| O1 | C6 | C7 | H7 | 0.2° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 178.9° |
| C6 | C7 | C8 | C9 | 0.0° | 1.6° |
| C7 | C6 | C5 | H5 | 179.7° | 180.0° |
| C7 | C6 | O1 | HO1 | 96.5° | 90.0° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 178.5° |
| C9 | C8 | C7 | H7 | 180.0° | 179.5° |
| O2 | C11 | C12 | H12 | 0.6° | 0.3° |
| O2 | C11 | C16 | H16 | 0.4° | 0.0° |
| C16 | C11 | C12 | H12 | 180.0° | 179.7° |
| C11 | C16 | C15 | H15 | 179.8° | 180.0° |
| O3 | C14 | C13 | H13 | 0.0° | 0.0° |
| O3 | C14 | C15 | H15 | 0.1° | 0.0° |
| C17 | C18 | C19 | H19 | 1.4° | 0.3° |
| C17 | C18 | C23 | H23 | 1.3° | 0.0° |
| H12 | C12 | C13 | H13 | 0.0° | 0.3° |
| H15 | C15 | C16 | H16 | 0.2° | 0.0° |
| H19 | C19 | C20 | H20 | 0.1° | 0.2° |
| H21 | C21 | C20 | H20 | 0.2° | 0.0° |
| H1 | C1 | H1A | H1B | 120.0° | 119.9° |
| H7 | C7 | C8 | H8 | 0.1° | 1.0° |
