7FL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.36Å | 1.41Å | |
| C03 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| O11 | C10 | sing | 1.36Å | 1.41Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.48Å | 1.51Å | |
| C07 | C06 | sing | 1.48Å | 1.52Å | |
| C07 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C14 | doub | 1.34Å | 1.35Å | |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.49Å | 1.52Å | |
| C14 | C20 | sing | 1.52Å | 1.52Å | |
| C16 | C15 | sing | 1.55Å | 1.51Å | |
| C16 | C17 | sing | 1.47Å | 1.51Å | |
| C20 | C19 | sing | 1.55Å | 1.51Å | |
| C17 | C18 | sing | 1.52Å | 1.51Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| O11 | H7 | sing | 0.97Å | 0.95Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 120.0° | 119.9° |
| O01 | C02 | C22 | 120.0° | 119.9° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| C02 | C03 | C04 | 119.9° | 120.1° |
| C03 | C02 | C22 | 120.0° | 120.1° |
| C02 | C03 | H2 | 120.0° | 120.0° |
| C03 | C04 | C05 | 120.1° | 119.9° |
| C04 | C03 | H2 | 120.1° | 120.0° |
| C03 | C04 | H3 | 119.9° | 120.0° |
| C02 | C22 | C21 | 120.0° | 120.1° |
| C02 | C22 | H24 | 120.0° | 120.0° |
| C13 | C12 | C10 | 119.7° | 120.0° |
| C12 | C13 | C07 | 120.5° | 120.0° |
| C13 | C12 | H8 | 120.1° | 120.0° |
| C12 | C13 | H9 | 119.8° | 120.0° |
| C12 | C10 | O11 | 119.9° | 120.0° |
| C12 | C10 | C09 | 120.0° | 120.2° |
| C10 | C12 | H8 | 120.2° | 120.0° |
| C13 | C07 | C06 | 119.2° | 120.1° |
| C13 | C07 | C08 | 119.7° | 119.8° |
| C07 | C13 | H9 | 119.8° | 120.1° |
| C04 | C05 | C21 | 119.8° | 119.9° |
| C04 | C05 | C06 | 120.4° | 120.0° |
| C05 | C04 | H3 | 119.9° | 120.1° |
| O11 | C10 | C09 | 120.1° | 119.9° |
| C10 | O11 | H7 | 109.5° | 114.0° |
| C22 | C21 | C05 | 120.1° | 119.9° |
| C22 | C21 | H23 | 120.0° | 120.0° |
| C21 | C22 | H24 | 120.0° | 119.9° |
| C10 | C09 | C08 | 120.3° | 120.0° |
| C10 | C09 | H6 | 119.8° | 120.0° |
| C21 | C05 | C06 | 119.8° | 120.1° |
| C05 | C21 | H23 | 120.0° | 120.1° |
| C05 | C06 | C07 | 117.9° | 120.0° |
| C05 | C06 | C14 | 120.4° | 120.0° |
| C06 | C07 | C08 | 121.1° | 120.1° |
| C07 | C06 | C14 | 121.7° | 120.0° |
| C07 | C08 | C09 | 119.9° | 120.0° |
| C07 | C08 | H5 | 120.1° | 120.0° |
| C06 | C14 | C15 | 120.1° | 118.7° |
| C06 | C14 | C20 | 119.2° | 118.6° |
| C09 | C08 | H5 | 120.0° | 120.1° |
| C08 | C09 | H6 | 119.9° | 120.0° |
| C15 | C14 | C20 | 119.0° | 122.7° |
| C14 | C15 | C16 | 112.6° | 109.7° |
| C14 | C15 | H11 | 108.7° | 109.4° |
| C14 | C15 | H12 | 108.7° | 109.4° |
| C14 | C20 | C19 | 112.8° | 111.3° |
| C14 | C20 | H21 | 108.6° | 109.1° |
| C14 | C20 | H22 | 108.6° | 109.0° |
| C15 | C16 | C17 | 112.9° | 109.9° |
| C16 | C15 | H11 | 108.7° | 109.4° |
| C16 | C15 | H12 | 108.7° | 109.4° |
| C15 | C16 | H13 | 108.6° | 109.4° |
| C15 | C16 | H14 | 108.6° | 109.4° |
| C16 | C17 | C18 | 112.4° | 114.9° |
| C17 | C16 | H13 | 108.6° | 109.4° |
| C17 | C16 | H14 | 108.6° | 109.4° |
| C16 | C17 | H15 | 108.8° | 108.4° |
| C16 | C17 | H16 | 108.7° | 108.4° |
| C20 | C19 | C18 | 113.2° | 109.7° |
| C20 | C19 | H19 | 108.5° | 109.4° |
| C20 | C19 | H20 | 108.5° | 109.3° |
| C19 | C20 | H21 | 108.6° | 109.2° |
| C19 | C20 | H22 | 108.7° | 109.1° |
| C17 | C18 | C19 | 112.4° | 109.2° |
| C18 | C17 | H15 | 108.7° | 108.4° |
| C18 | C17 | H16 | 108.8° | 108.4° |
| C17 | C18 | H17 | 108.7° | 109.5° |
| C17 | C18 | H18 | 108.7° | 109.5° |
| C19 | C18 | H17 | 108.8° | 109.5° |
| C19 | C18 | H18 | 108.7° | 109.5° |
| C18 | C19 | H19 | 108.5° | 109.5° |
| C18 | C19 | H20 | 108.5° | 109.5° |
| H11 | C15 | H12 | 109.4° | 109.4° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H15 | C17 | H16 | 109.5° | 108.2° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C22 | 179.9° | 179.6° |
| O01 | C02 | C03 | C04 | 179.9° | 180.0° |
| O01 | C02 | C22 | C21 | 180.0° | 179.8° |
| O01 | C02 | C03 | H2 | 0.1° | 0.1° |
| O01 | C02 | C22 | H24 | 0.0° | 0.1° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.4° | 0.1° |
| C03 | C02 | C22 | C21 | 0.1° | 0.6° |
| C03 | C02 | O01 | H1 | 180.0° | 89.7° |
| C02 | C03 | C04 | H3 | 179.7° | 179.9° |
| C03 | C02 | C22 | H24 | 179.9° | 179.7° |
| C04 | C03 | C02 | C22 | 0.0° | 0.3° |
| C03 | C04 | C05 | H3 | 180.0° | 180.0° |
| C03 | C04 | C05 | C21 | 0.6° | 0.0° |
| C03 | C04 | C05 | C06 | 179.7° | 180.0° |
| C02 | C22 | C21 | H24 | 180.0° | 179.6° |
| C02 | C22 | C21 | C05 | 0.2° | 0.6° |
| C22 | C02 | O01 | H1 | 0.1° | 89.9° |
| C22 | C02 | C03 | H2 | 180.0° | 179.7° |
| C02 | C22 | C21 | H23 | 179.9° | 179.7° |
| C13 | C12 | C10 | H8 | 180.0° | 179.4° |
| C12 | C13 | C07 | H9 | 180.0° | 179.4° |
| C13 | C12 | C10 | O11 | 180.0° | 179.7° |
| C13 | C12 | C10 | C09 | 0.0° | 0.3° |
| C12 | C13 | C07 | C06 | 179.7° | 179.6° |
| C12 | C13 | C07 | C08 | 0.7° | 0.6° |
| C10 | C12 | C13 | C07 | 0.2° | 0.6° |
| C12 | C10 | O11 | C09 | 180.0° | 180.0° |
| C12 | C10 | C09 | C08 | 0.2° | 0.0° |
| C12 | C10 | C09 | H6 | 179.8° | 180.0° |
| C12 | C10 | O11 | H7 | 180.0° | 89.9° |
| C10 | C12 | C13 | H9 | 179.8° | 180.0° |
| C13 | C07 | C06 | C05 | 47.4° | 114.8° |
| C13 | C07 | C06 | C08 | 178.9° | 179.8° |
| C13 | C07 | C06 | C14 | 135.3° | 65.2° |
| C13 | C07 | C08 | C09 | 0.9° | 0.2° |
| C13 | C07 | C08 | H5 | 179.1° | 179.8° |
| C07 | C13 | C12 | H8 | 179.8° | 180.0° |
| C04 | C05 | C21 | C22 | 0.5° | 0.3° |
| C04 | C05 | C21 | C06 | 179.1° | 180.0° |
| C04 | C05 | C06 | C07 | 112.4° | 65.0° |
| C04 | C05 | C06 | C14 | 70.4° | 115.0° |
| C05 | C04 | C03 | H2 | 179.7° | 180.0° |
| C04 | C05 | C21 | H23 | 179.5° | 180.0° |
| O11 | C10 | C09 | C08 | 179.7° | 180.0° |
| O11 | C10 | C09 | H6 | 0.3° | 0.0° |
| O11 | C10 | C12 | H8 | 0.0° | 0.3° |
| C22 | C21 | C05 | H23 | 180.0° | 179.7° |
| C22 | C21 | C05 | C06 | 179.7° | 179.7° |
| C10 | C09 | C08 | C07 | 0.7° | 0.0° |
| C10 | C09 | C08 | H6 | 180.0° | 180.0° |
| C10 | C09 | C08 | H5 | 179.3° | 179.9° |
| C09 | C10 | O11 | H7 | 0.0° | 90.0° |
| C09 | C10 | C12 | H8 | 180.0° | 179.7° |
| C21 | C05 | C06 | C07 | 66.7° | 115.0° |
| C21 | C05 | C06 | C14 | 110.5° | 65.0° |
| C21 | C05 | C04 | H3 | 179.4° | 180.0° |
| C05 | C21 | C22 | H24 | 179.8° | 179.8° |
| C05 | C06 | C07 | C14 | 177.2° | 180.0° |
| C05 | C06 | C07 | C08 | 131.5° | 65.0° |
| C05 | C06 | C14 | C15 | 142.2° | 180.0° |
| C05 | C06 | C14 | C20 | 23.1° | 0.3° |
| C06 | C05 | C04 | H3 | 0.3° | 0.0° |
| C06 | C05 | C21 | H23 | 0.4° | 0.0° |
| C06 | C07 | C08 | C09 | 179.9° | 180.0° |
| C07 | C06 | C14 | C15 | 40.6° | 0.1° |
| C07 | C06 | C14 | C20 | 154.1° | 179.7° |
| C06 | C07 | C08 | H5 | 0.1° | 0.0° |
| C06 | C07 | C13 | H9 | 0.3° | 0.2° |
| C08 | C07 | C06 | C14 | 45.7° | 115.0° |
| C07 | C08 | C09 | H5 | 180.0° | 180.0° |
| C07 | C08 | C09 | H6 | 179.3° | 180.0° |
| C08 | C07 | C13 | H9 | 179.3° | 180.0° |
| C06 | C14 | C15 | C20 | 165.3° | 179.7° |
| C06 | C14 | C15 | C16 | 128.0° | 90.6° |
| C06 | C14 | C20 | C19 | 157.2° | 138.0° |
| C06 | C14 | C15 | H11 | 111.5° | 29.5° |
| C06 | C14 | C15 | H12 | 7.5° | 149.4° |
| C06 | C14 | C20 | H21 | 82.3° | 101.4° |
| C06 | C14 | C20 | H22 | 36.7° | 17.6° |
| C14 | C15 | C16 | H11 | 120.5° | 120.1° |
| C14 | C15 | C16 | H12 | 120.5° | 120.0° |
| C14 | C15 | C16 | C17 | 88.2° | 69.7° |
| C15 | C14 | C20 | C19 | 37.3° | 42.3° |
| C14 | C15 | H11 | H12 | 118.6° | 119.9° |
| C14 | C15 | C16 | H13 | 151.3° | 50.4° |
| C14 | C15 | C16 | H14 | 32.3° | 170.2° |
| C15 | C14 | C20 | H21 | 83.2° | 78.4° |
| C15 | C14 | C20 | H22 | 157.8° | 162.6° |
| C20 | C14 | C15 | C16 | 37.3° | 89.7° |
| C14 | C20 | C19 | H21 | 120.5° | 120.5° |
| C14 | C20 | C19 | H22 | 120.5° | 120.4° |
| C14 | C20 | C19 | C18 | 88.0° | 39.8° |
| C20 | C14 | C15 | H11 | 83.2° | 150.3° |
| C20 | C14 | C15 | H12 | 157.8° | 30.3° |
| C14 | C20 | C19 | H19 | 151.5° | 159.9° |
| C14 | C20 | C19 | H20 | 32.6° | 80.3° |
| C14 | C20 | H21 | H22 | 118.5° | 119.0° |
| C15 | C16 | C17 | H13 | 120.5° | 120.1° |
| C15 | C16 | C17 | H14 | 120.5° | 120.1° |
| C15 | C16 | C17 | C18 | 78.6° | 63.4° |
| C16 | C15 | H11 | H12 | 118.6° | 119.9° |
| C15 | C16 | H13 | H14 | 118.4° | 119.8° |
| C15 | C16 | C17 | H15 | 41.8° | 175.3° |
| C15 | C16 | C17 | H16 | 160.9° | 58.0° |
| C16 | C17 | C18 | H15 | 120.4° | 121.3° |
| C16 | C17 | C18 | H16 | 120.4° | 121.4° |
| C16 | C17 | C18 | C19 | 60.5° | 87.8° |
| C17 | C16 | C15 | H11 | 32.3° | 170.3° |
| C17 | C16 | C15 | H12 | 151.3° | 50.4° |
| C17 | C16 | H13 | H14 | 118.4° | 119.8° |
| C16 | C17 | H15 | H16 | 118.7° | 117.4° |
| C16 | C17 | C18 | H17 | 179.0° | 32.2° |
| C16 | C17 | C18 | H18 | 59.9° | 152.3° |
| C20 | C19 | C18 | C17 | 78.2° | 93.6° |
| C20 | C19 | C18 | H19 | 120.5° | 120.0° |
| C20 | C19 | C18 | H20 | 120.5° | 119.9° |
| C20 | C19 | C18 | H17 | 161.4° | 26.4° |
| C20 | C19 | C18 | H18 | 42.3° | 146.5° |
| C20 | C19 | H19 | H20 | 118.2° | 119.7° |
| C19 | C20 | H21 | H22 | 118.5° | 119.1° |
| C17 | C18 | C19 | H17 | 120.4° | 120.0° |
| C17 | C18 | C19 | H18 | 120.4° | 119.9° |
| C18 | C17 | C16 | H13 | 160.9° | 56.7° |
| C18 | C17 | C16 | H14 | 41.9° | 176.5° |
| C18 | C17 | H15 | H16 | 118.7° | 117.4° |
| C17 | C18 | H17 | H18 | 118.7° | 120.1° |
| C17 | C18 | C19 | H19 | 161.3° | 146.4° |
| C17 | C18 | C19 | H20 | 42.4° | 26.4° |
| C19 | C18 | C17 | H15 | 59.9° | 150.9° |
| C19 | C18 | C17 | H16 | 179.0° | 33.6° |
| C19 | C18 | H17 | H18 | 118.7° | 120.1° |
| C18 | C19 | H19 | H20 | 118.3° | 120.1° |
| C18 | C19 | C20 | H21 | 32.5° | 160.3° |
| C18 | C19 | C20 | H22 | 151.5° | 80.6° |
| H2 | C03 | C04 | H3 | 0.3° | 0.0° |
| H5 | C08 | C09 | H6 | 0.7° | 0.1° |
| H8 | C12 | C13 | H9 | 0.2° | 0.6° |
| H11 | C15 | C16 | H13 | 88.2° | 69.6° |
| H11 | C15 | C16 | H14 | 152.8° | 50.1° |
| H12 | C15 | C16 | H13 | 30.8° | 170.5° |
| H12 | C15 | C16 | H14 | 88.2° | 69.8° |
| H13 | C16 | C17 | H15 | 78.7° | 64.6° |
| H13 | C16 | C17 | H16 | 40.4° | 178.1° |
| H14 | C16 | C17 | H15 | 162.3° | 55.2° |
| H14 | C16 | C17 | H16 | 78.6° | 62.1° |
| H15 | C17 | C18 | H17 | 60.5° | 89.2° |
| H15 | C17 | C18 | H18 | 179.6° | 30.9° |
| H16 | C17 | C18 | H17 | 58.6° | 153.6° |
| H16 | C17 | C18 | H18 | 60.5° | 86.3° |
| H17 | C18 | C19 | H19 | 40.8° | 93.6° |
| H17 | C18 | C19 | H20 | 78.1° | 146.3° |
| H18 | C18 | C19 | H19 | 78.3° | 26.4° |
| H18 | C18 | C19 | H20 | 162.8° | 93.6° |
| H19 | C19 | C20 | H21 | 88.0° | 79.6° |
| H19 | C19 | C20 | H22 | 31.0° | 39.5° |
| H20 | C19 | C20 | H21 | 153.1° | 40.3° |
| H20 | C19 | C20 | H22 | 87.9° | 159.4° |
| H23 | C21 | C22 | H24 | 0.1° | 0.0° |
