7O0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.49Å | |
| O | C | doub | 1.22Å | 1.22Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | doub | 1.35Å | 1.33Å | |
| C | C1 | sing | 1.42Å | 1.48Å | |
| C | O1 | sing | 1.35Å | 1.30Å | |
| C3 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | O2 | sing | 1.36Å | 1.36Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| O1 | H | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 120.1° | 120.0° |
| C14 | C13 | C12 | 119.7° | 120.0° |
| C13 | C14 | H10 | 119.9° | 120.0° |
| C14 | C13 | H9 | 120.2° | 120.0° |
| C14 | C15 | C10 | 120.9° | 120.0° |
| C14 | C15 | H11 | 119.5° | 120.1° |
| C15 | C14 | H10 | 119.9° | 120.0° |
| C13 | C12 | C11 | 120.2° | 120.0° |
| C12 | C13 | H9 | 120.1° | 120.0° |
| C13 | C12 | H8 | 119.9° | 120.0° |
| C15 | C10 | C11 | 118.3° | 120.0° |
| C15 | C10 | C9 | 120.9° | 120.0° |
| C10 | C15 | H11 | 119.6° | 120.0° |
| C12 | C11 | C10 | 120.8° | 120.0° |
| C12 | C11 | H7 | 119.6° | 120.0° |
| C11 | C12 | H8 | 119.9° | 120.0° |
| C11 | C10 | C9 | 120.8° | 120.0° |
| C10 | C11 | H7 | 119.6° | 120.0° |
| C10 | C9 | C8 | 113.9° | 109.5° |
| C10 | C9 | H6 | 108.4° | 109.5° |
| C10 | C9 | H5 | 108.4° | 109.5° |
| C9 | C8 | C16 | 121.0° | 119.9° |
| C9 | C8 | C7 | 120.6° | 119.9° |
| C8 | C9 | H6 | 108.4° | 109.5° |
| C8 | C9 | H5 | 108.4° | 109.4° |
| C16 | C8 | C7 | 118.4° | 120.1° |
| C8 | C16 | C17 | 120.7° | 120.2° |
| C8 | C16 | H12 | 119.7° | 119.9° |
| C8 | C7 | C6 | 121.9° | 119.9° |
| C8 | C7 | H4 | 119.0° | 120.0° |
| C16 | C17 | C18 | 120.2° | 120.1° |
| C17 | C16 | H12 | 119.6° | 119.8° |
| C16 | C17 | H13 | 119.9° | 119.9° |
| C7 | C6 | C18 | 118.3° | 119.8° |
| C7 | C6 | C5 | 120.4° | 120.1° |
| C6 | C7 | H4 | 119.0° | 120.1° |
| C17 | C18 | C6 | 120.5° | 119.9° |
| C18 | C17 | H13 | 119.9° | 120.0° |
| C17 | C18 | H14 | 119.8° | 120.1° |
| C18 | C6 | C5 | 121.3° | 120.1° |
| C6 | C18 | H14 | 119.7° | 120.0° |
| C6 | C5 | C4 | 119.0° | 120.1° |
| C6 | C5 | C19 | 122.9° | 120.1° |
| O | C | C1 | 120.7° | 120.0° |
| O | C | O1 | 122.8° | 120.0° |
| C5 | C4 | C3 | 121.7° | 119.8° |
| C4 | C5 | C19 | 118.0° | 119.8° |
| C5 | C4 | H3 | 119.1° | 120.2° |
| C4 | C3 | C2 | 119.4° | 120.1° |
| C4 | C3 | C21 | 118.6° | 119.9° |
| C3 | C4 | H3 | 119.1° | 120.1° |
| C5 | C19 | O2 | 120.1° | 119.9° |
| C5 | C19 | C20 | 120.6° | 120.2° |
| C3 | C2 | C1 | 127.5° | 120.0° |
| C2 | C3 | C21 | 121.8° | 120.0° |
| C3 | C2 | H2 | 116.2° | 120.0° |
| C2 | C1 | C | 121.7° | 120.0° |
| C1 | C2 | H2 | 116.3° | 120.0° |
| C2 | C1 | H1 | 119.2° | 120.0° |
| C1 | C | O1 | 116.5° | 120.0° |
| C | C1 | H1 | 119.2° | 120.0° |
| C | O1 | H | 109.5° | 114.0° |
| C3 | C21 | C20 | 120.7° | 120.1° |
| C3 | C21 | H17 | 119.6° | 120.0° |
| O2 | C19 | C20 | 119.3° | 120.0° |
| C19 | O2 | H15 | 109.5° | 114.0° |
| C19 | C20 | C21 | 120.3° | 120.3° |
| C19 | C20 | H16 | 119.9° | 119.9° |
| C20 | C21 | H17 | 119.6° | 119.9° |
| C21 | C20 | H16 | 119.8° | 119.9° |
| H6 | C9 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H10 | 180.0° | 179.7° |
| C14 | C13 | C12 | H9 | 180.0° | 179.7° |
| C13 | C14 | C15 | C10 | 0.1° | 0.3° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C13 | C14 | C15 | H11 | 179.9° | 179.7° |
| C14 | C13 | C12 | H8 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.3° |
| C14 | C15 | C10 | H11 | 180.0° | 180.0° |
| C14 | C15 | C10 | C11 | 0.0° | 0.1° |
| C14 | C15 | C10 | C9 | 179.8° | 180.0° |
| C15 | C14 | C13 | H9 | 179.9° | 180.0° |
| C13 | C12 | C11 | H8 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C13 | C12 | C11 | H7 | 179.9° | 179.9° |
| C12 | C13 | C14 | H10 | 179.9° | 180.0° |
| C15 | C10 | C11 | C12 | 0.1° | 0.3° |
| C15 | C10 | C11 | C9 | 179.8° | 180.0° |
| C15 | C10 | C9 | C8 | 110.5° | 90.0° |
| C15 | C10 | C11 | H7 | 179.9° | 180.0° |
| C10 | C15 | C14 | H10 | 179.9° | 180.0° |
| C15 | C10 | C9 | H6 | 128.9° | 30.0° |
| C15 | C10 | C9 | H5 | 10.2° | 150.0° |
| C12 | C11 | C10 | H7 | 180.0° | 179.8° |
| C12 | C11 | C10 | C9 | 179.7° | 179.7° |
| C11 | C12 | C13 | H9 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 69.4° | 90.0° |
| C11 | C10 | C15 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | H8 | 179.9° | 179.8° |
| C11 | C10 | C9 | H6 | 51.3° | 150.0° |
| C11 | C10 | C9 | H5 | 170.0° | 30.0° |
| C10 | C9 | C8 | H6 | 120.6° | 120.1° |
| C10 | C9 | C8 | H5 | 120.6° | 120.0° |
| C10 | C9 | C8 | C16 | 100.5° | 90.0° |
| C10 | C9 | C8 | C7 | 79.7° | 90.0° |
| C9 | C10 | C11 | H7 | 0.3° | 0.1° |
| C9 | C10 | C15 | H11 | 0.2° | 0.0° |
| C10 | C9 | H6 | H5 | 118.0° | 120.0° |
| C9 | C8 | C16 | C7 | 179.8° | 180.0° |
| C9 | C8 | C16 | C17 | 179.9° | 179.9° |
| C9 | C8 | C7 | C6 | 179.7° | 179.9° |
| C9 | C8 | C7 | H4 | 0.3° | 0.0° |
| C9 | C8 | C16 | H12 | 0.1° | 0.1° |
| C8 | C9 | H6 | H5 | 118.0° | 120.0° |
| C8 | C16 | C17 | H12 | 180.0° | 180.0° |
| C16 | C8 | C7 | C6 | 0.1° | 0.0° |
| C8 | C16 | C17 | C18 | 0.2° | 0.1° |
| C16 | C8 | C7 | H4 | 179.9° | 180.0° |
| C8 | C16 | C17 | H13 | 179.8° | 180.0° |
| C16 | C8 | C9 | H6 | 138.9° | 150.0° |
| C16 | C8 | C9 | H5 | 20.2° | 30.0° |
| C7 | C8 | C16 | C17 | 0.1° | 0.0° |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | C18 | 0.3° | 0.0° |
| C8 | C7 | C6 | C5 | 179.1° | 179.7° |
| C7 | C8 | C16 | H12 | 179.9° | 180.0° |
| C7 | C8 | C9 | H6 | 40.9° | 30.1° |
| C7 | C8 | C9 | H5 | 159.7° | 150.0° |
| C16 | C17 | C18 | H13 | 180.0° | 179.9° |
| C16 | C17 | C18 | C6 | 0.0° | 0.1° |
| C16 | C17 | C18 | H14 | 180.0° | 179.7° |
| C7 | C6 | C18 | C17 | 0.2° | 0.0° |
| C7 | C6 | C18 | C5 | 179.4° | 179.8° |
| C7 | C6 | C5 | C4 | 47.0° | 130.6° |
| C7 | C6 | C5 | C19 | 129.1° | 49.7° |
| C7 | C6 | C18 | H14 | 179.8° | 179.7° |
| C17 | C18 | C6 | H14 | 180.0° | 179.8° |
| C17 | C18 | C6 | C5 | 179.1° | 179.8° |
| C18 | C17 | C16 | H12 | 179.9° | 180.0° |
| C18 | C6 | C5 | C4 | 133.6° | 49.7° |
| C18 | C6 | C5 | C19 | 50.2° | 130.0° |
| C18 | C6 | C7 | H4 | 179.7° | 179.9° |
| C6 | C18 | C17 | H13 | 180.0° | 180.0° |
| C6 | C5 | C4 | C19 | 176.3° | 179.7° |
| C6 | C5 | C4 | C3 | 174.6° | 179.7° |
| C6 | C5 | C19 | O2 | 4.2° | 0.0° |
| C6 | C5 | C19 | C20 | 175.5° | 179.6° |
| C5 | C6 | C7 | H4 | 0.9° | 0.3° |
| C6 | C5 | C4 | H3 | 5.4° | 0.3° |
| C5 | C6 | C18 | H14 | 0.8° | 0.0° |
| O | C | C1 | C2 | 1.5° | 0.0° |
| O | C | C1 | O1 | 179.3° | 179.9° |
| O | C | O1 | H | 0.0° | 0.0° |
| O | C | C1 | H1 | 178.5° | 179.9° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 173.9° | 180.0° |
| C5 | C4 | C3 | C21 | 1.7° | 0.0° |
| C4 | C5 | C19 | O2 | 179.6° | 179.7° |
| C4 | C5 | C19 | C20 | 0.6° | 0.1° |
| C3 | C4 | C5 | C19 | 1.7° | 0.0° |
| C4 | C3 | C2 | C21 | 175.5° | 180.0° |
| C4 | C3 | C2 | C1 | 172.0° | 180.0° |
| C4 | C3 | C21 | C20 | 0.5° | 0.0° |
| C4 | C3 | C2 | H2 | 8.0° | 0.3° |
| C4 | C3 | C21 | H17 | 179.5° | 180.0° |
| C5 | C19 | O2 | C20 | 179.7° | 179.6° |
| C5 | C19 | C20 | C21 | 0.5° | 0.1° |
| C19 | C5 | C4 | H3 | 178.3° | 180.0° |
| C5 | C19 | C20 | H16 | 179.6° | 180.0° |
| C5 | C19 | O2 | H15 | 180.0° | 90.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.7° |
| C3 | C2 | C1 | C | 176.2° | 180.0° |
| C2 | C3 | C21 | C20 | 175.0° | 180.0° |
| C2 | C3 | C4 | H3 | 6.1° | 0.0° |
| C3 | C2 | C1 | H1 | 3.8° | 0.0° |
| C2 | C3 | C21 | H17 | 5.0° | 0.0° |
| C2 | C1 | C | H1 | 180.0° | 180.0° |
| C2 | C1 | C | O1 | 179.3° | 180.0° |
| C1 | C2 | C3 | C21 | 3.5° | 0.0° |
| C | C1 | C2 | H2 | 3.8° | 0.3° |
| C1 | C | O1 | H | 179.3° | 180.0° |
| O1 | C | C1 | H1 | 0.7° | 0.0° |
| C3 | C21 | C20 | C19 | 0.5° | 0.1° |
| C3 | C21 | C20 | H17 | 180.0° | 180.0° |
| C21 | C3 | C2 | H2 | 176.6° | 179.7° |
| C21 | C3 | C4 | H3 | 178.3° | 180.0° |
| C3 | C21 | C20 | H16 | 179.5° | 180.0° |
| O2 | C19 | C20 | C21 | 179.3° | 179.7° |
| O2 | C19 | C20 | H16 | 0.7° | 0.4° |
| C19 | C20 | C21 | H16 | 180.0° | 179.9° |
| C19 | C20 | C21 | H17 | 179.5° | 180.0° |
| C20 | C19 | O2 | H15 | 0.3° | 90.4° |
| H2 | C2 | C1 | H1 | 176.2° | 179.7° |
| H7 | C11 | C12 | H8 | 0.2° | 0.0° |
| H12 | C16 | C17 | H13 | 0.1° | 0.0° |
| H11 | C15 | C14 | H10 | 0.1° | 0.0° |
| H10 | C14 | C13 | H9 | 0.1° | 0.3° |
| H9 | C13 | C12 | H8 | 0.0° | 0.3° |
| H13 | C17 | C18 | H14 | 0.0° | 0.2° |
| H17 | C21 | C20 | H16 | 0.5° | 0.1° |
