5C8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | sing | 1.36Å | 1.38Å | |
| C09 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.48Å | 1.49Å | |
| C03 | C11 | sing | 1.48Å | 1.49Å | |
| C03 | C02 | doub | 1.36Å | 1.38Å | |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O15 | sing | 1.36Å | 1.38Å | |
| C01 | C02 | sing | 1.51Å | 1.49Å | |
| C02 | C18 | sing | 1.47Å | 1.49Å | |
| C18 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.43Å | Aromatic |
| C19 | C20 | doub | 1.36Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.41Å | 1.42Å | Aromatic |
| C26 | C21 | sing | 1.42Å | 1.37Å | Aromatic |
| C25 | C24 | sing | 1.36Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.43Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.43Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.36Å | 1.39Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| O08 | H6 | sing | 0.97Å | 0.95Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| O15 | H11 | sing | 0.97Å | 0.95Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | C09 | 120.3° | 119.9° |
| O08 | C07 | C06 | 119.8° | 119.9° |
| C07 | O08 | H6 | 109.5° | 114.0° |
| C07 | C09 | C10 | 120.1° | 120.1° |
| C09 | C07 | C06 | 119.9° | 120.1° |
| C07 | C09 | H7 | 119.9° | 120.0° |
| C09 | C10 | C04 | 120.2° | 119.9° |
| C10 | C09 | H7 | 120.0° | 119.9° |
| C09 | C10 | H8 | 119.9° | 120.1° |
| C07 | C06 | C05 | 120.2° | 120.1° |
| C07 | C06 | H5 | 119.9° | 119.9° |
| C10 | C04 | C05 | 119.6° | 119.8° |
| C10 | C04 | C03 | 119.7° | 120.1° |
| C04 | C10 | H8 | 119.9° | 120.0° |
| C06 | C05 | C04 | 120.1° | 120.0° |
| C06 | C05 | H4 | 119.9° | 120.0° |
| C05 | C06 | H5 | 119.9° | 120.0° |
| C05 | C04 | C03 | 120.7° | 120.1° |
| C04 | C05 | H4 | 120.0° | 120.0° |
| C04 | C03 | C11 | 116.4° | 120.0° |
| C04 | C03 | C02 | 122.1° | 120.0° |
| C11 | C03 | C02 | 121.4° | 120.0° |
| C03 | C11 | C12 | 119.7° | 120.1° |
| C03 | C11 | C17 | 120.6° | 120.1° |
| C03 | C02 | C01 | 121.6° | 120.0° |
| C03 | C02 | C18 | 120.7° | 120.0° |
| C11 | C12 | C13 | 120.5° | 119.9° |
| C12 | C11 | C17 | 119.7° | 119.8° |
| C11 | C12 | H9 | 119.8° | 120.0° |
| C12 | C13 | C14 | 119.8° | 120.1° |
| C13 | C12 | H9 | 119.8° | 120.0° |
| C12 | C13 | H10 | 120.1° | 120.0° |
| C11 | C17 | C16 | 120.0° | 119.9° |
| C11 | C17 | H13 | 120.0° | 120.1° |
| C13 | C14 | C16 | 120.0° | 120.2° |
| C13 | C14 | O15 | 119.5° | 119.9° |
| C14 | C13 | H10 | 120.1° | 119.9° |
| C17 | C16 | C14 | 120.0° | 120.1° |
| C17 | C16 | H12 | 120.0° | 120.0° |
| C16 | C17 | H13 | 120.0° | 120.0° |
| C16 | C14 | O15 | 120.5° | 119.9° |
| C14 | C16 | H12 | 120.0° | 120.0° |
| C14 | O15 | H11 | 109.5° | 114.0° |
| C01 | C02 | C18 | 117.6° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C18 | C27 | 119.8° | 119.8° |
| C02 | C18 | C19 | 120.3° | 119.8° |
| C27 | C18 | C19 | 119.9° | 120.5° |
| C18 | C27 | C26 | 119.8° | 119.4° |
| C18 | C27 | H20 | 120.1° | 120.3° |
| C18 | C19 | C20 | 120.4° | 120.8° |
| C18 | C19 | H14 | 119.8° | 119.6° |
| C27 | C26 | C25 | 120.0° | 121.1° |
| C27 | C26 | C21 | 120.2° | 119.5° |
| C26 | C27 | H20 | 120.1° | 120.3° |
| C19 | C20 | C21 | 119.7° | 120.1° |
| C20 | C19 | H14 | 119.8° | 119.7° |
| C19 | C20 | H15 | 120.1° | 119.9° |
| C25 | C26 | C21 | 119.9° | 119.4° |
| C26 | C25 | C24 | 119.9° | 119.6° |
| C26 | C25 | H19 | 120.0° | 120.2° |
| C26 | C21 | C20 | 120.1° | 119.7° |
| C26 | C21 | C22 | 120.2° | 119.3° |
| C25 | C24 | C23 | 120.2° | 121.0° |
| C25 | C24 | H18 | 119.9° | 119.5° |
| C24 | C25 | H19 | 120.1° | 120.2° |
| C20 | C21 | C22 | 119.7° | 121.0° |
| C21 | C20 | H15 | 120.2° | 120.0° |
| C21 | C22 | C23 | 119.9° | 119.7° |
| C21 | C22 | H16 | 120.0° | 120.1° |
| C24 | C23 | C22 | 119.9° | 121.0° |
| C24 | C23 | H17 | 120.0° | 119.5° |
| C23 | C24 | H18 | 119.9° | 119.5° |
| C23 | C22 | H16 | 120.1° | 120.1° |
| C22 | C23 | H17 | 120.1° | 119.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | C09 | C06 | 179.9° | 180.0° |
| O08 | C07 | C09 | C10 | 179.9° | 179.7° |
| O08 | C07 | C06 | C05 | 179.6° | 180.0° |
| O08 | C07 | C06 | H5 | 0.4° | 0.0° |
| O08 | C07 | C09 | H7 | 0.1° | 0.0° |
| C07 | C09 | C10 | H7 | 180.0° | 179.8° |
| C07 | C09 | C10 | C04 | 0.2° | 0.5° |
| C09 | C07 | C06 | C05 | 0.5° | 0.0° |
| C09 | C07 | C06 | H5 | 179.5° | 180.0° |
| C09 | C07 | O08 | H6 | 180.0° | 90.0° |
| C07 | C09 | C10 | H8 | 179.8° | 180.0° |
| C10 | C09 | C07 | C06 | 0.1° | 0.2° |
| C09 | C10 | C04 | H8 | 180.0° | 179.5° |
| C09 | C10 | C04 | C05 | 0.8° | 0.6° |
| C09 | C10 | C04 | C03 | 179.5° | 179.7° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 1.1° | 0.1° |
| C07 | C06 | C05 | H4 | 178.9° | 180.0° |
| C06 | C07 | O08 | H6 | 0.1° | 90.0° |
| C06 | C07 | C09 | H7 | 179.9° | 180.0° |
| C10 | C04 | C05 | C06 | 1.2° | 0.3° |
| C10 | C04 | C05 | C03 | 178.7° | 179.7° |
| C10 | C04 | C03 | C11 | 60.8° | 114.8° |
| C10 | C04 | C03 | C02 | 115.8° | 65.3° |
| C10 | C04 | C05 | H4 | 178.7° | 179.8° |
| C04 | C10 | C09 | H7 | 179.8° | 179.7° |
| C06 | C05 | C04 | H4 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 179.9° | 180.0° |
| C05 | C04 | C03 | C11 | 117.9° | 64.9° |
| C05 | C04 | C03 | C02 | 65.5° | 115.0° |
| C04 | C05 | C06 | H5 | 178.9° | 179.9° |
| C05 | C04 | C10 | H8 | 179.2° | 179.9° |
| C04 | C03 | C11 | C02 | 176.6° | 179.9° |
| C04 | C03 | C11 | C12 | 112.8° | 115.3° |
| C04 | C03 | C11 | C17 | 66.3° | 65.0° |
| C04 | C03 | C02 | C01 | 10.7° | 0.0° |
| C04 | C03 | C02 | C18 | 172.8° | 179.9° |
| C03 | C04 | C05 | H4 | 0.0° | 0.1° |
| C03 | C04 | C10 | H8 | 0.5° | 0.2° |
| C03 | C11 | C12 | C17 | 179.1° | 179.7° |
| C03 | C11 | C12 | C13 | 179.7° | 180.0° |
| C03 | C11 | C17 | C16 | 179.6° | 179.8° |
| C11 | C03 | C02 | C01 | 165.8° | 180.0° |
| C11 | C03 | C02 | C18 | 10.7° | 0.0° |
| C03 | C11 | C12 | H9 | 0.3° | 0.1° |
| C03 | C11 | C17 | H13 | 0.4° | 0.0° |
| C02 | C03 | C11 | C12 | 63.8° | 64.7° |
| C02 | C03 | C11 | C17 | 117.1° | 115.0° |
| C03 | C02 | C01 | C18 | 176.6° | 180.0° |
| C03 | C02 | C18 | C27 | 114.7° | 115.0° |
| C03 | C02 | C18 | C19 | 65.5° | 64.8° |
| C03 | C02 | C01 | H1 | 180.0° | 90.0° |
| C03 | C02 | C01 | H2 | 60.0° | 30.0° |
| C03 | C02 | C01 | H3 | 60.0° | 150.0° |
| C11 | C12 | C13 | H9 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C17 | C16 | 0.5° | 0.5° |
| C11 | C12 | C13 | H10 | 179.7° | 180.0° |
| C12 | C11 | C17 | H13 | 179.5° | 179.7° |
| C13 | C12 | C11 | C17 | 0.6° | 0.3° |
| C12 | C13 | C14 | H10 | 180.0° | 180.0° |
| C12 | C13 | C14 | C16 | 0.1° | 0.0° |
| C12 | C13 | C14 | O15 | 180.0° | 180.0° |
| C11 | C17 | C16 | H13 | 180.0° | 179.7° |
| C11 | C17 | C16 | C14 | 0.1° | 0.5° |
| C17 | C11 | C12 | H9 | 179.4° | 179.8° |
| C11 | C17 | C16 | H12 | 179.8° | 179.7° |
| C13 | C14 | C16 | C17 | 0.2° | 0.2° |
| C13 | C14 | C16 | O15 | 179.9° | 180.0° |
| C14 | C13 | C12 | H9 | 179.7° | 180.0° |
| C13 | C14 | O15 | H11 | 180.0° | 90.1° |
| C13 | C14 | C16 | H12 | 179.9° | 180.0° |
| C17 | C16 | C14 | H12 | 180.0° | 179.8° |
| C17 | C16 | C14 | O15 | 179.9° | 179.8° |
| C16 | C14 | C13 | H10 | 179.9° | 180.0° |
| C16 | C14 | O15 | H11 | 0.1° | 90.0° |
| C14 | C16 | C17 | H13 | 179.9° | 179.8° |
| O15 | C14 | C13 | H10 | 0.0° | 0.1° |
| O15 | C14 | C16 | H12 | 0.1° | 0.0° |
| C01 | C02 | C18 | C27 | 62.0° | 64.9° |
| C01 | C02 | C18 | C19 | 117.8° | 115.3° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C18 | C27 | C19 | 179.8° | 179.8° |
| C02 | C18 | C27 | C26 | 180.0° | 179.6° |
| C02 | C18 | C19 | C20 | 179.8° | 180.0° |
| C18 | C02 | C01 | H1 | 3.4° | 90.0° |
| C18 | C02 | C01 | H2 | 123.4° | 150.0° |
| C18 | C02 | C01 | H3 | 116.6° | 30.1° |
| C02 | C18 | C19 | H14 | 0.2° | 0.0° |
| C02 | C18 | C27 | H20 | 0.0° | 0.0° |
| C18 | C27 | C26 | H20 | 180.0° | 179.6° |
| C27 | C18 | C19 | C20 | 0.4° | 0.3° |
| C18 | C27 | C26 | C25 | 180.0° | 179.7° |
| C18 | C27 | C26 | C21 | 0.1° | 0.6° |
| C27 | C18 | C19 | H14 | 179.6° | 179.8° |
| C19 | C18 | C27 | C26 | 0.2° | 0.6° |
| C18 | C19 | C20 | H14 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.4° | 0.0° |
| C18 | C19 | C20 | H15 | 179.6° | 180.0° |
| C19 | C18 | C27 | H20 | 179.8° | 179.8° |
| C27 | C26 | C25 | C21 | 180.0° | 179.6° |
| C27 | C26 | C25 | C24 | 179.9° | 179.7° |
| C27 | C26 | C21 | C20 | 0.1° | 0.3° |
| C27 | C26 | C21 | C22 | 179.9° | 179.7° |
| C27 | C26 | C25 | H19 | 0.1° | 0.4° |
| C19 | C20 | C21 | C26 | 0.2° | 0.0° |
| C19 | C20 | C21 | H15 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 179.8° | 180.0° |
| C26 | C25 | C24 | H19 | 180.0° | 180.0° |
| C25 | C26 | C21 | C20 | 180.0° | 180.0° |
| C25 | C26 | C21 | C22 | 0.0° | 0.0° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C26 | C25 | C24 | H18 | 179.9° | 180.0° |
| C25 | C26 | C27 | H20 | 0.0° | 0.1° |
| C21 | C26 | C25 | C24 | 0.0° | 0.0° |
| C26 | C21 | C20 | C22 | 180.0° | 180.0° |
| C26 | C21 | C22 | C23 | 0.1° | 0.0° |
| C26 | C21 | C20 | H15 | 179.8° | 180.0° |
| C26 | C21 | C22 | H16 | 179.9° | 179.9° |
| C21 | C26 | C25 | H19 | 179.9° | 180.0° |
| C21 | C26 | C27 | H20 | 179.9° | 179.7° |
| C25 | C24 | C23 | H18 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.0° |
| C25 | C24 | C23 | H17 | 179.8° | 180.0° |
| C20 | C21 | C22 | C23 | 179.9° | 180.0° |
| C21 | C20 | C19 | H14 | 179.6° | 180.0° |
| C20 | C21 | C22 | H16 | 0.1° | 0.1° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C21 | C22 | C23 | H16 | 180.0° | 180.0° |
| C22 | C21 | C20 | H15 | 0.2° | 0.0° |
| C21 | C22 | C23 | H17 | 179.8° | 180.0° |
| C24 | C23 | C22 | H17 | 180.0° | 179.9° |
| C24 | C23 | C22 | H16 | 179.9° | 179.9° |
| C23 | C24 | C25 | H19 | 179.9° | 180.0° |
| C22 | C23 | C24 | H18 | 179.8° | 179.9° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C05 | C06 | H5 | 1.1° | 0.0° |
| H7 | C09 | C10 | H8 | 0.2° | 0.2° |
| H9 | C12 | C13 | H10 | 0.3° | 0.1° |
| H12 | C16 | C17 | H13 | 0.2° | 0.0° |
| H14 | C19 | C20 | H15 | 0.4° | 0.0° |
| H16 | C22 | C23 | H17 | 0.2° | 0.0° |
| H17 | C23 | C24 | H18 | 0.2° | 0.0° |
| H18 | C24 | C25 | H19 | 0.1° | 0.0° |
