5C7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | sing | 1.36Å | 1.38Å | |
| C16 | C17 | doub | 1.38Å | 1.43Å | Aromatic |
| C16 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.36Å | Aromatic |
| C07 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C11 | sing | 1.40Å | 1.36Å | Aromatic |
| O15 | C14 | sing | 1.36Å | 1.31Å | |
| C05 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.34Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.34Å | Aromatic |
| C04 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C04 | C03 | sing | 1.48Å | 1.55Å | |
| C11 | C03 | sing | 1.48Å | 1.54Å | |
| C11 | C12 | doub | 1.40Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.45Å | Aromatic |
| C03 | C02 | doub | 1.36Å | 1.42Å | |
| C19 | C20 | doub | 1.38Å | 1.34Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.44Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.46Å | |
| C02 | C18 | sing | 1.47Å | 1.54Å | |
| C20 | C21 | sing | 1.38Å | 1.47Å | Aromatic |
| C18 | C27 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.51Å | 1.61Å | |
| C21 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C22 | sing | 1.53Å | 1.47Å | |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.53Å | 1.44Å | |
| 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 | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | C06 | 120.1° | 119.9° |
| O08 | C07 | C09 | 119.9° | 119.9° |
| C07 | O08 | H6 | 109.5° | 114.0° |
| C17 | C16 | C14 | 120.0° | 120.1° |
| C16 | C17 | C11 | 120.3° | 119.9° |
| C17 | C16 | H12 | 120.0° | 119.9° |
| C16 | C17 | H13 | 119.8° | 120.1° |
| C16 | C14 | O15 | 120.3° | 119.9° |
| C16 | C14 | C13 | 120.0° | 120.2° |
| C14 | C16 | H12 | 120.0° | 120.0° |
| C07 | C06 | C05 | 120.0° | 120.1° |
| C06 | C07 | C09 | 120.0° | 120.1° |
| C07 | C06 | H5 | 120.0° | 120.0° |
| C06 | C05 | C04 | 119.8° | 119.9° |
| C06 | C05 | H4 | 120.1° | 120.0° |
| C05 | C06 | H5 | 120.0° | 119.9° |
| C07 | C09 | C10 | 120.2° | 120.1° |
| C07 | C09 | H7 | 119.9° | 119.9° |
| C17 | C11 | C03 | 118.9° | 120.1° |
| C17 | C11 | C12 | 119.2° | 119.8° |
| C11 | C17 | H13 | 119.9° | 120.1° |
| O15 | C14 | C13 | 119.7° | 119.9° |
| C14 | O15 | H11 | 109.5° | 114.0° |
| C05 | C04 | C10 | 119.9° | 119.8° |
| C05 | C04 | C03 | 120.8° | 120.1° |
| C04 | C05 | H4 | 120.1° | 120.1° |
| C14 | C13 | C12 | 120.1° | 120.1° |
| C14 | C13 | H10 | 120.0° | 120.0° |
| C09 | C10 | C04 | 120.0° | 119.9° |
| C10 | C09 | H7 | 119.9° | 120.0° |
| C09 | C10 | H8 | 120.0° | 120.1° |
| C10 | C04 | C03 | 119.2° | 120.1° |
| C04 | C10 | H8 | 120.0° | 120.0° |
| C04 | C03 | C11 | 115.4° | 120.0° |
| C04 | C03 | C02 | 121.2° | 120.0° |
| C03 | C11 | C12 | 121.9° | 120.1° |
| C11 | C03 | C02 | 123.0° | 120.0° |
| C11 | C12 | C13 | 120.5° | 119.9° |
| C11 | C12 | H9 | 119.8° | 120.0° |
| C13 | C12 | H9 | 119.8° | 120.1° |
| C12 | C13 | H10 | 120.0° | 119.9° |
| C03 | C02 | C01 | 122.3° | 120.0° |
| C03 | C02 | C18 | 120.2° | 120.0° |
| C20 | C19 | C18 | 120.4° | 119.8° |
| C19 | C20 | C21 | 120.4° | 120.1° |
| C20 | C19 | H14 | 119.8° | 120.1° |
| C19 | C20 | H15 | 119.8° | 120.0° |
| C19 | C18 | C02 | 118.9° | 120.2° |
| C19 | C18 | C27 | 119.9° | 119.6° |
| C18 | C19 | H14 | 119.8° | 120.1° |
| C01 | C02 | C18 | 115.7° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C18 | C27 | 121.2° | 120.2° |
| C20 | C21 | C22 | 121.1° | 119.8° |
| C20 | C21 | C26 | 118.7° | 120.4° |
| C21 | C20 | H15 | 119.8° | 119.9° |
| C18 | C27 | C26 | 119.9° | 119.8° |
| C18 | C27 | H26 | 120.0° | 120.0° |
| C23 | C22 | C21 | 112.4° | 109.5° |
| C23 | C22 | C25 | 108.8° | 109.5° |
| C23 | C22 | C24 | 107.2° | 109.4° |
| C22 | C23 | H16 | 109.5° | 109.5° |
| C22 | C23 | H17 | 109.4° | 109.5° |
| C22 | C23 | H18 | 109.5° | 109.4° |
| C22 | C21 | C26 | 120.2° | 119.9° |
| C21 | C22 | C25 | 109.2° | 109.4° |
| C21 | C22 | C24 | 108.9° | 109.5° |
| C21 | C26 | C27 | 120.6° | 120.2° |
| C21 | C26 | H25 | 119.7° | 119.9° |
| C25 | C22 | C24 | 110.2° | 109.5° |
| C22 | C25 | H22 | 109.5° | 109.5° |
| C22 | C25 | H23 | 109.5° | 109.5° |
| C22 | C25 | H24 | 109.5° | 109.5° |
| C27 | C26 | H25 | 119.7° | 119.9° |
| C26 | C27 | H26 | 120.0° | 120.1° |
| C22 | C24 | H19 | 109.5° | 109.5° |
| C22 | C24 | H20 | 109.5° | 109.5° |
| C22 | C24 | H21 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.4° | 109.4° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H18 | 109.4° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.4° |
| H19 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H21 | 109.4° | 109.4° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.4° | 109.5° |
| H22 | C25 | H24 | 109.5° | 109.4° |
| H23 | C25 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | C06 | C09 | 179.9° | 180.0° |
| O08 | C07 | C06 | C05 | 179.8° | 180.0° |
| O08 | C07 | C09 | C10 | 180.0° | 180.0° |
| O08 | C07 | C06 | H5 | 0.2° | 0.1° |
| O08 | C07 | C09 | H7 | 0.1° | 0.0° |
| C17 | C16 | C14 | H12 | 180.0° | 179.6° |
| C16 | C17 | C11 | H13 | 180.0° | 179.6° |
| C17 | C16 | C14 | O15 | 179.9° | 179.8° |
| C17 | C16 | C14 | C13 | 0.0° | 0.2° |
| C16 | C17 | C11 | C03 | 179.6° | 179.8° |
| C16 | C17 | C11 | C12 | 1.3° | 0.4° |
| C14 | C16 | C17 | C11 | 0.5° | 0.4° |
| C16 | C14 | O15 | C13 | 179.9° | 180.0° |
| C16 | C14 | C13 | C12 | 0.3° | 0.0° |
| C16 | C14 | C13 | H10 | 179.7° | 180.0° |
| C16 | C14 | O15 | H11 | 180.0° | 90.0° |
| C14 | C16 | C17 | H13 | 179.5° | 179.9° |
| C07 | C06 | C05 | H5 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 0.6° | 0.1° |
| C06 | C07 | C09 | C10 | 0.1° | 0.0° |
| C07 | C06 | C05 | H4 | 179.4° | 180.0° |
| C06 | C07 | O08 | H6 | 180.0° | 90.1° |
| C06 | C07 | C09 | H7 | 180.0° | 180.0° |
| C05 | C06 | C07 | C09 | 0.1° | 0.1° |
| C06 | C05 | C04 | H4 | 180.0° | 179.8° |
| C06 | C05 | C04 | C10 | 0.9° | 0.1° |
| C06 | C05 | C04 | C03 | 179.6° | 179.8° |
| C07 | C09 | C10 | H7 | 180.0° | 180.0° |
| C07 | C09 | C10 | C04 | 0.3° | 0.0° |
| C09 | C07 | C06 | H5 | 179.9° | 180.0° |
| C09 | C07 | O08 | H6 | 0.1° | 89.9° |
| C07 | C09 | C10 | H8 | 179.7° | 179.8° |
| C17 | C11 | C03 | C04 | 42.4° | 114.8° |
| C17 | C11 | C03 | C12 | 178.2° | 179.8° |
| C17 | C11 | C12 | C13 | 1.6° | 0.2° |
| C17 | C11 | C03 | C02 | 130.2° | 65.3° |
| C17 | C11 | C12 | H9 | 178.3° | 179.8° |
| C11 | C17 | C16 | H12 | 179.5° | 180.0° |
| O15 | C14 | C13 | C12 | 179.6° | 180.0° |
| O15 | C14 | C13 | H10 | 0.4° | 0.0° |
| O15 | C14 | C16 | H12 | 0.0° | 0.2° |
| C05 | C04 | C10 | C09 | 0.8° | 0.0° |
| C05 | C04 | C10 | C03 | 178.7° | 179.7° |
| C05 | C04 | C03 | C11 | 111.4° | 115.3° |
| C05 | C04 | C03 | C02 | 61.4° | 64.6° |
| C04 | C05 | C06 | H5 | 179.4° | 180.0° |
| C05 | C04 | C10 | H8 | 179.2° | 179.7° |
| C14 | C13 | C12 | C11 | 1.1° | 0.0° |
| C14 | C13 | C12 | H10 | 180.0° | 179.9° |
| C14 | C13 | C12 | H9 | 178.8° | 180.0° |
| C13 | C14 | O15 | H11 | 0.1° | 90.0° |
| C13 | C14 | C16 | H12 | 180.0° | 179.8° |
| C09 | C10 | C04 | H8 | 180.0° | 179.7° |
| C09 | C10 | C04 | C03 | 179.5° | 179.7° |
| C10 | C04 | C03 | C11 | 67.2° | 65.0° |
| C10 | C04 | C03 | C02 | 119.9° | 115.0° |
| C10 | C04 | C05 | H4 | 179.1° | 179.9° |
| C04 | C10 | C09 | H7 | 179.7° | 180.0° |
| C04 | C03 | C11 | C02 | 172.7° | 179.9° |
| C04 | C03 | C11 | C12 | 135.7° | 65.0° |
| C04 | C03 | C02 | C01 | 160.5° | 180.0° |
| C04 | C03 | C02 | C18 | 3.7° | 0.1° |
| C03 | C04 | C05 | H4 | 0.4° | 0.4° |
| C03 | C04 | C10 | H8 | 0.5° | 0.0° |
| C03 | C11 | C12 | C13 | 179.8° | 180.0° |
| C11 | C03 | C02 | C01 | 11.8° | 0.1° |
| C11 | C03 | C02 | C18 | 176.0° | 180.0° |
| C03 | C11 | C12 | H9 | 0.2° | 0.0° |
| C03 | C11 | C17 | H13 | 0.4° | 0.2° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C12 | C11 | C03 | C02 | 51.6° | 114.9° |
| C11 | C12 | C13 | H10 | 178.8° | 180.0° |
| C12 | C11 | C17 | H13 | 178.7° | 179.9° |
| C03 | C02 | C18 | C19 | 115.1° | 64.7° |
| C03 | C02 | C01 | C18 | 164.9° | 179.9° |
| C03 | C02 | C18 | C27 | 65.3° | 115.0° |
| C03 | C02 | C01 | H1 | 180.0° | 90.1° |
| C03 | C02 | C01 | H2 | 60.0° | 30.0° |
| C03 | C02 | C01 | H3 | 60.0° | 150.0° |
| C20 | C19 | C18 | H14 | 180.0° | 180.0° |
| C20 | C19 | C18 | C02 | 180.0° | 180.0° |
| C19 | C20 | C21 | H15 | 180.0° | 180.0° |
| C20 | C19 | C18 | C27 | 0.4° | 0.3° |
| C19 | C20 | C21 | C22 | 179.6° | 179.9° |
| C19 | C20 | C21 | C26 | 0.2° | 0.1° |
| C19 | C18 | C02 | C01 | 50.1° | 115.3° |
| C19 | C18 | C02 | C27 | 179.6° | 179.6° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C19 | C18 | C27 | C26 | 0.2° | 0.6° |
| C18 | C19 | C20 | H15 | 179.8° | 180.0° |
| C19 | C18 | C27 | H26 | 179.8° | 179.7° |
| C01 | C02 | C18 | C27 | 129.5° | 65.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C18 | C27 | C26 | 179.8° | 179.7° |
| C18 | C02 | C01 | H1 | 15.2° | 90.0° |
| C18 | C02 | C01 | H2 | 135.1° | 150.0° |
| C18 | C02 | C01 | H3 | 104.9° | 30.0° |
| C02 | C18 | C19 | H14 | 0.0° | 0.1° |
| C02 | C18 | C27 | H26 | 0.2° | 0.1° |
| C20 | C21 | C22 | C23 | 12.6° | 60.0° |
| C20 | C21 | C22 | C26 | 179.4° | 180.0° |
| C20 | C21 | C22 | C25 | 133.5° | 180.0° |
| C20 | C21 | C26 | C27 | 0.5° | 0.3° |
| C20 | C21 | C22 | C24 | 106.1° | 60.0° |
| C21 | C20 | C19 | H14 | 179.8° | 180.0° |
| C20 | C21 | C26 | H25 | 179.5° | 180.0° |
| C18 | C27 | C26 | C21 | 0.3° | 0.6° |
| C18 | C27 | C26 | H26 | 180.0° | 179.7° |
| C27 | C18 | C19 | H14 | 179.6° | 179.7° |
| C18 | C27 | C26 | H25 | 179.7° | 179.7° |
| C23 | C22 | C21 | C25 | 120.9° | 120.0° |
| C23 | C22 | C21 | C24 | 118.7° | 120.0° |
| C23 | C22 | C21 | C26 | 168.0° | 120.0° |
| C23 | C22 | C25 | C24 | 117.3° | 120.0° |
| C22 | C23 | H16 | H17 | 120.0° | 120.1° |
| C22 | C23 | H16 | H18 | 120.0° | 119.9° |
| C22 | C23 | H17 | H18 | 120.0° | 119.9° |
| C23 | C22 | C24 | H19 | 180.0° | 180.0° |
| C23 | C22 | C24 | H20 | 60.0° | 60.0° |
| C23 | C22 | C24 | H21 | 60.0° | 60.0° |
| C23 | C22 | C25 | H22 | 180.0° | 60.1° |
| C23 | C22 | C25 | H23 | 60.0° | 60.0° |
| C23 | C22 | C25 | H24 | 60.0° | 180.0° |
| C21 | C22 | C25 | C24 | 119.6° | 120.0° |
| C22 | C21 | C26 | C27 | 179.9° | 179.7° |
| C22 | C21 | C20 | H15 | 0.4° | 0.0° |
| C21 | C22 | C23 | H16 | 180.0° | 60.0° |
| C21 | C22 | C23 | H17 | 60.0° | 179.9° |
| C21 | C22 | C23 | H18 | 60.0° | 60.0° |
| C21 | C22 | C24 | H19 | 58.1° | 59.9° |
| C21 | C22 | C24 | H20 | 61.9° | 179.9° |
| C21 | C22 | C24 | H21 | 178.1° | 60.0° |
| C21 | C22 | C25 | H22 | 57.0° | 60.0° |
| C21 | C22 | C25 | H23 | 176.9° | 180.0° |
| C21 | C22 | C25 | H24 | 63.1° | 60.0° |
| C22 | C21 | C26 | H25 | 0.1° | 0.0° |
| C26 | C21 | C22 | C25 | 47.1° | 0.0° |
| C21 | C26 | C27 | H25 | 180.0° | 179.7° |
| C26 | C21 | C22 | C24 | 73.3° | 120.0° |
| C26 | C21 | C20 | H15 | 179.8° | 180.0° |
| C21 | C26 | C27 | H26 | 179.7° | 179.7° |
| C25 | C22 | C23 | H16 | 58.9° | 180.0° |
| C25 | C22 | C23 | H17 | 178.9° | 59.9° |
| C25 | C22 | C23 | H18 | 61.1° | 60.0° |
| C25 | C22 | C24 | H19 | 61.7° | 60.0° |
| C25 | C22 | C24 | H20 | 178.3° | 60.0° |
| C25 | C22 | C24 | H21 | 58.3° | 180.0° |
| C22 | C25 | H22 | H23 | 120.0° | 120.0° |
| C22 | C25 | H22 | H24 | 120.0° | 120.0° |
| C22 | C25 | H23 | H24 | 120.0° | 120.0° |
| C24 | C22 | C23 | H16 | 60.3° | 60.0° |
| C24 | C22 | C23 | H17 | 59.7° | 60.1° |
| C24 | C22 | C23 | H18 | 179.7° | 180.0° |
| C22 | C24 | H19 | H20 | 120.0° | 120.0° |
| C22 | C24 | H19 | H21 | 120.0° | 120.0° |
| C22 | C24 | H20 | H21 | 120.0° | 120.0° |
| C24 | C22 | C25 | H22 | 62.6° | 180.0° |
| C24 | C22 | C25 | H23 | 57.3° | 60.0° |
| C24 | C22 | C25 | H24 | 177.3° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H4 | C05 | C06 | H5 | 0.6° | 0.1° |
| H7 | C09 | C10 | H8 | 0.3° | 0.3° |
| H9 | C12 | C13 | H10 | 1.2° | 0.1° |
| H12 | C16 | C17 | H13 | 0.5° | 0.4° |
| H14 | C19 | C20 | H15 | 0.2° | 0.0° |
| H16 | C23 | H17 | H18 | 120.0° | 120.0° |
| H19 | C24 | H20 | H21 | 120.0° | 120.0° |
| H22 | C25 | H23 | H24 | 120.0° | 119.9° |
| H25 | C26 | C27 | H26 | 0.3° | 0.0° |
