2QL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C20 | doub | 1.41Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.35Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
| C9 | C17 | doub | 1.42Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.42Å | Aromatic |
| C21 | C18 | doub | 1.41Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.47Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C17 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.42Å | 1.43Å | Aromatic |
| C23 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.43Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C24 | sing | 1.48Å | 1.44Å | Aromatic |
| C19 | C15 | doub | 1.40Å | 1.44Å | Aromatic |
| C24 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C11 | sing | 1.51Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | O11 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| O13 | C13 | sing | 1.43Å | 1.43Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | O12 | sing | 1.43Å | 1.42Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.07Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C20 | 120.0° | 120.2° |
| C7 | C6 | C5 | 119.7° | 120.7° |
| C6 | C7 | H7 | 120.0° | 119.9° |
| C7 | C6 | H6 | 120.1° | 119.7° |
| C7 | C20 | C8 | 117.4° | 120.3° |
| C7 | C20 | C21 | 121.1° | 119.7° |
| C20 | C7 | H7 | 120.0° | 119.9° |
| C6 | C5 | C22 | 121.4° | 120.4° |
| C5 | C6 | H6 | 120.2° | 119.6° |
| C6 | C5 | H5 | 119.3° | 119.4° |
| C20 | C8 | C9 | 119.0° | 120.2° |
| C8 | C20 | C21 | 121.5° | 120.0° |
| C20 | C8 | H8 | 120.5° | 119.8° |
| C8 | C9 | C17 | 120.2° | 120.8° |
| C8 | C9 | H9 | 119.9° | 119.7° |
| C9 | C8 | H8 | 120.5° | 120.0° |
| C20 | C21 | C22 | 119.4° | 119.1° |
| C20 | C21 | C18 | 119.8° | 120.2° |
| C5 | C22 | C21 | 118.4° | 119.8° |
| C5 | C22 | C23 | 122.7° | 120.9° |
| C22 | C5 | H5 | 119.3° | 120.2° |
| C9 | C17 | C18 | 121.5° | 120.9° |
| C9 | C17 | C10 | 117.9° | 119.9° |
| C17 | C9 | H9 | 119.9° | 119.5° |
| C22 | C21 | C18 | 120.9° | 120.7° |
| C21 | C22 | C23 | 118.9° | 119.2° |
| C21 | C18 | C17 | 118.0° | 117.9° |
| C21 | C18 | C19 | 121.3° | 121.8° |
| C22 | C23 | C4 | 120.3° | 119.2° |
| C22 | C23 | C24 | 120.3° | 120.1° |
| C18 | C17 | C10 | 120.7° | 119.2° |
| C17 | C18 | C19 | 120.7° | 120.3° |
| C17 | C10 | C16 | 119.8° | 120.3° |
| C17 | C10 | H10 | 120.1° | 119.9° |
| C18 | C19 | C24 | 117.2° | 118.6° |
| C18 | C19 | C15 | 117.1° | 118.5° |
| C4 | C23 | C24 | 119.4° | 120.7° |
| C23 | C4 | C3 | 121.5° | 120.3° |
| C23 | C4 | H4 | 119.2° | 120.2° |
| C23 | C24 | C19 | 120.7° | 119.2° |
| C23 | C24 | C1 | 116.9° | 117.2° |
| C4 | C3 | C2 | 119.5° | 119.5° |
| C3 | C4 | H4 | 119.2° | 119.6° |
| C4 | C3 | H3 | 120.3° | 120.2° |
| C10 | C16 | C15 | 120.5° | 121.0° |
| C10 | C16 | C11 | 118.1° | 116.1° |
| C16 | C10 | H10 | 120.1° | 119.9° |
| C24 | C19 | C15 | 125.6° | 122.9° |
| C19 | C24 | C1 | 122.3° | 123.5° |
| C19 | C15 | C16 | 120.2° | 120.5° |
| C19 | C15 | C14 | 125.8° | 119.6° |
| C24 | C1 | C2 | 122.4° | 121.3° |
| C24 | C1 | H1 | 118.8° | 122.8° |
| C3 | C2 | C1 | 119.6° | 120.7° |
| C2 | C3 | H3 | 120.2° | 120.3° |
| C3 | C2 | H2 | 120.2° | 120.0° |
| C15 | C16 | C11 | 121.3° | 122.9° |
| C16 | C15 | C14 | 113.5° | 119.9° |
| C16 | C11 | O11 | 106.8° | 109.1° |
| C16 | C11 | C12 | 115.8° | 111.7° |
| C16 | C11 | H11 | 108.1° | 108.9° |
| C15 | C14 | C13 | 111.4° | 113.3° |
| C15 | C14 | H14 | 109.0° | 108.7° |
| C15 | C14 | H15 | 109.0° | 108.8° |
| C1 | C2 | H2 | 120.2° | 119.4° |
| C2 | C1 | H1 | 118.8° | 115.8° |
| O11 | C11 | C12 | 108.8° | 109.1° |
| O11 | C11 | H11 | 109.5° | 108.9° |
| C11 | O11 | HO11 | 109.5° | 114.0° |
| C11 | C12 | C13 | 113.5° | 106.7° |
| C11 | C12 | O12 | 113.0° | 109.9° |
| C11 | C12 | H12 | 106.2° | 110.0° |
| C12 | C11 | H11 | 107.8° | 109.1° |
| O13 | C13 | C14 | 111.5° | 109.5° |
| O13 | C13 | C12 | 111.3° | 109.6° |
| O13 | C13 | H13 | 109.3° | 109.6° |
| C13 | O13 | HO13 | 109.5° | 114.0° |
| C14 | C13 | C12 | 108.9° | 107.8° |
| C13 | C14 | H14 | 109.0° | 108.0° |
| C13 | C14 | H15 | 109.0° | 107.6° |
| C14 | C13 | H13 | 107.8° | 110.1° |
| C13 | C12 | O12 | 109.6° | 110.2° |
| C12 | C13 | H13 | 107.8° | 110.2° |
| C13 | C12 | H12 | 106.3° | 110.1° |
| O12 | C12 | H12 | 107.8° | 109.8° |
| C12 | O12 | HO12 | 109.5° | 114.0° |
| H14 | C14 | H15 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C20 | H7 | 180.0° | 179.8° |
| C7 | C6 | C5 | H6 | 180.0° | 179.7° |
| C6 | C7 | C20 | C8 | 177.1° | 179.6° |
| C6 | C7 | C20 | C21 | 2.6° | 0.3° |
| C7 | C6 | C5 | C22 | 0.7° | 0.3° |
| C7 | C6 | C5 | H5 | 179.3° | 180.0° |
| C20 | C7 | C6 | C5 | 1.7° | 0.1° |
| C7 | C20 | C8 | C21 | 179.7° | 179.9° |
| C7 | C20 | C8 | C9 | 178.8° | 179.9° |
| C7 | C20 | C21 | C22 | 1.1° | 0.6° |
| C7 | C20 | C21 | C18 | 179.8° | 179.4° |
| C7 | C20 | C8 | H8 | 1.2° | 0.1° |
| C20 | C7 | C6 | H6 | 178.3° | 179.6° |
| C6 | C5 | C22 | H5 | 180.0° | 179.7° |
| C6 | C5 | C22 | C21 | 2.2° | 0.0° |
| C6 | C5 | C22 | C23 | 175.1° | 179.1° |
| C5 | C6 | C7 | H7 | 178.4° | 180.0° |
| C20 | C8 | C9 | H8 | 180.0° | 179.8° |
| C20 | C8 | C9 | C17 | 1.8° | 0.2° |
| C8 | C20 | C21 | C22 | 178.6° | 179.3° |
| C8 | C20 | C21 | C18 | 0.5° | 0.7° |
| C20 | C8 | C9 | H9 | 178.2° | 179.7° |
| C8 | C20 | C7 | H7 | 2.8° | 0.6° |
| C9 | C8 | C20 | C21 | 1.5° | 0.0° |
| C8 | C9 | C17 | H9 | 180.0° | 179.9° |
| C8 | C9 | C17 | C18 | 1.1° | 0.3° |
| C8 | C9 | C17 | C10 | 177.2° | 179.7° |
| C20 | C21 | C22 | C5 | 1.3° | 0.5° |
| C20 | C21 | C22 | C18 | 179.1° | 180.0° |
| C20 | C21 | C22 | C23 | 176.1° | 179.5° |
| C20 | C21 | C18 | C17 | 0.3° | 1.2° |
| C20 | C21 | C18 | C19 | 178.3° | 179.1° |
| C21 | C20 | C8 | H8 | 178.5° | 179.8° |
| C21 | C20 | C7 | H7 | 177.5° | 179.5° |
| C5 | C22 | C21 | C23 | 177.4° | 179.1° |
| C5 | C22 | C21 | C18 | 177.8° | 179.5° |
| C5 | C22 | C23 | C4 | 1.8° | 4.8° |
| C5 | C22 | C23 | C24 | 179.8° | 175.4° |
| C22 | C5 | C6 | H6 | 179.3° | 179.5° |
| C9 | C17 | C18 | C21 | 0.0° | 1.0° |
| C9 | C17 | C18 | C10 | 178.3° | 180.0° |
| C9 | C17 | C18 | C19 | 178.7° | 179.3° |
| C9 | C17 | C10 | C16 | 172.1° | 179.5° |
| C9 | C17 | C10 | H10 | 7.9° | 0.4° |
| C17 | C9 | C8 | H8 | 178.2° | 180.0° |
| C22 | C21 | C18 | C17 | 179.4° | 178.8° |
| C22 | C21 | C18 | C19 | 0.8° | 0.9° |
| C21 | C22 | C23 | C4 | 175.5° | 176.2° |
| C21 | C22 | C23 | C24 | 2.9° | 3.6° |
| C21 | C22 | C5 | H5 | 177.8° | 179.7° |
| C18 | C21 | C22 | C23 | 4.8° | 0.5° |
| C21 | C18 | C17 | C19 | 178.6° | 179.7° |
| C21 | C18 | C17 | C10 | 178.2° | 179.0° |
| C21 | C18 | C19 | C24 | 7.9° | 2.7° |
| C21 | C18 | C19 | C15 | 169.8° | 177.2° |
| C22 | C23 | C4 | C24 | 178.4° | 179.8° |
| C22 | C23 | C4 | C3 | 178.5° | 176.9° |
| C22 | C23 | C24 | C19 | 4.5° | 7.1° |
| C22 | C23 | C24 | C1 | 172.0° | 173.5° |
| C23 | C22 | C5 | H5 | 4.9° | 0.6° |
| C22 | C23 | C4 | H4 | 1.5° | 3.1° |
| C18 | C17 | C10 | C16 | 6.2° | 0.5° |
| C17 | C18 | C19 | C24 | 173.5° | 177.7° |
| C17 | C18 | C19 | C15 | 8.8° | 2.5° |
| C18 | C17 | C10 | H10 | 173.8° | 179.6° |
| C18 | C17 | C9 | H9 | 178.9° | 179.8° |
| C10 | C17 | C18 | C19 | 0.4° | 0.7° |
| C17 | C10 | C16 | H10 | 180.0° | 179.9° |
| C17 | C10 | C16 | C15 | 4.1° | 0.3° |
| C17 | C10 | C16 | C11 | 172.7° | 180.0° |
| C10 | C17 | C9 | H9 | 2.8° | 0.2° |
| C18 | C19 | C24 | C23 | 9.7° | 6.6° |
| C18 | C19 | C24 | C15 | 177.5° | 179.8° |
| C18 | C19 | C24 | C1 | 166.5° | 174.0° |
| C18 | C19 | C15 | C16 | 10.9° | 3.3° |
| C18 | C19 | C15 | C14 | 160.8° | 175.6° |
| C23 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C23 | C24 | C19 | 177.1° | 172.7° |
| C4 | C23 | C24 | C1 | 6.4° | 6.7° |
| C23 | C4 | C3 | C2 | 3.9° | 1.6° |
| C23 | C4 | C3 | H3 | 176.0° | 178.3° |
| C24 | C23 | C4 | C3 | 0.1° | 3.3° |
| C23 | C24 | C19 | C1 | 176.3° | 179.3° |
| C23 | C24 | C19 | C15 | 167.8° | 173.2° |
| C23 | C24 | C1 | C2 | 9.6° | 5.5° |
| C24 | C23 | C4 | H4 | 179.9° | 176.7° |
| C23 | C24 | C1 | H1 | 170.4° | 172.5° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 1.0° | 2.8° |
| C4 | C3 | C2 | H2 | 179.0° | 178.5° |
| C10 | C16 | C15 | C19 | 4.6° | 2.2° |
| C10 | C16 | C15 | C11 | 176.7° | 179.7° |
| C10 | C16 | C15 | C14 | 168.0° | 176.7° |
| C10 | C16 | C11 | O11 | 96.5° | 76.1° |
| C10 | C16 | C11 | C12 | 142.2° | 163.2° |
| C10 | C16 | C11 | H11 | 21.1° | 42.7° |
| C24 | C19 | C15 | C16 | 171.6° | 176.9° |
| C24 | C19 | C15 | C14 | 16.7° | 4.2° |
| C19 | C24 | C1 | C2 | 174.0° | 173.9° |
| C19 | C24 | C1 | H1 | 6.0° | 8.1° |
| C15 | C19 | C24 | C1 | 16.0° | 6.2° |
| C19 | C15 | C16 | C14 | 172.7° | 178.9° |
| C19 | C15 | C16 | C11 | 178.7° | 178.1° |
| C19 | C15 | C14 | C13 | 130.6° | 164.6° |
| C19 | C15 | C14 | H14 | 109.1° | 75.3° |
| C19 | C15 | C14 | H15 | 10.3° | 45.0° |
| C24 | C1 | C2 | C3 | 6.0° | 0.8° |
| C24 | C1 | C2 | H1 | 180.0° | 178.2° |
| C24 | C1 | C2 | H2 | 174.0° | 177.9° |
| C3 | C2 | C1 | H2 | 180.0° | 178.7° |
| C2 | C3 | C4 | H4 | 176.0° | 178.5° |
| C3 | C2 | C1 | H1 | 174.0° | 177.3° |
| C15 | C16 | C11 | O11 | 86.7° | 103.6° |
| C15 | C16 | C11 | C12 | 34.6° | 17.1° |
| C16 | C15 | C14 | C13 | 41.6° | 14.3° |
| C16 | C15 | C14 | H14 | 78.7° | 105.8° |
| C16 | C15 | C14 | H15 | 161.9° | 133.9° |
| C15 | C16 | C11 | H11 | 155.6° | 137.6° |
| C15 | C16 | C10 | H10 | 175.9° | 179.6° |
| C11 | C16 | C15 | C14 | 8.7° | 3.0° |
| C16 | C11 | O11 | C12 | 125.6° | 122.3° |
| C16 | C11 | O11 | H11 | 116.8° | 118.8° |
| C16 | C11 | C12 | H11 | 121.2° | 120.4° |
| C16 | C11 | C12 | C13 | 7.7° | 52.5° |
| C16 | C11 | C12 | O12 | 117.9° | 67.0° |
| C16 | C11 | C12 | H12 | 124.1° | 171.9° |
| C16 | C11 | O11 | HO11 | 180.0° | 57.8° |
| C11 | C16 | C10 | H10 | 7.3° | 0.1° |
| C15 | C14 | C13 | O13 | 57.2° | 169.7° |
| C15 | C14 | C13 | H14 | 120.3° | 120.5° |
| C15 | C14 | C13 | H15 | 120.3° | 120.3° |
| C15 | C14 | C13 | C12 | 66.0° | 50.5° |
| C15 | C14 | H14 | H15 | 119.1° | 119.3° |
| C15 | C14 | C13 | H13 | 177.3° | 69.8° |
| C1 | C2 | C3 | H3 | 179.0° | 177.0° |
| O11 | C11 | C12 | H11 | 118.6° | 118.9° |
| O11 | C11 | C12 | C13 | 112.5° | 68.2° |
| O11 | C11 | C12 | O12 | 121.9° | 172.3° |
| O11 | C11 | C12 | H12 | 3.9° | 51.2° |
| C11 | C12 | C13 | O13 | 84.5° | 171.0° |
| C11 | C12 | C13 | C14 | 38.9° | 69.9° |
| C11 | C12 | C13 | O12 | 127.4° | 119.3° |
| C11 | C12 | C13 | H12 | 116.4° | 119.4° |
| C11 | C12 | O12 | H12 | 117.0° | 121.2° |
| C11 | C12 | C13 | H13 | 155.6° | 50.3° |
| C11 | C12 | O12 | HO12 | 180.0° | 62.7° |
| C12 | C11 | O11 | HO11 | 54.3° | 180.0° |
| O13 | C13 | C14 | C12 | 123.2° | 119.2° |
| O13 | C13 | C14 | H13 | 120.0° | 120.5° |
| O13 | C13 | C12 | H13 | 119.9° | 120.7° |
| O13 | C13 | C12 | O12 | 42.9° | 69.7° |
| O13 | C13 | C14 | H14 | 177.5° | 49.2° |
| O13 | C13 | C14 | H15 | 63.1° | 70.0° |
| O13 | C13 | C12 | H12 | 159.1° | 51.6° |
| C14 | C13 | C12 | H13 | 116.7° | 120.1° |
| C14 | C13 | C12 | O12 | 166.3° | 49.4° |
| C13 | C14 | H14 | H15 | 119.1° | 117.4° |
| C14 | C13 | O13 | HO13 | 180.0° | 60.0° |
| C14 | C13 | C12 | H12 | 77.5° | 170.8° |
| C13 | C12 | O12 | H12 | 115.3° | 121.5° |
| C12 | C13 | C14 | H14 | 54.3° | 70.0° |
| C12 | C13 | C14 | H15 | 173.7° | 170.8° |
| C12 | C13 | O13 | HO13 | 58.2° | 178.1° |
| C13 | C12 | O12 | HO12 | 52.3° | 180.0° |
| C13 | C12 | C11 | H11 | 128.9° | 172.9° |
| O12 | C12 | C13 | H13 | 77.0° | 169.6° |
| O12 | C12 | C11 | H11 | 3.3° | 53.4° |
| H14 | C14 | C13 | H13 | 62.5° | 169.7° |
| H15 | C14 | C13 | H13 | 57.0° | 50.5° |
| H13 | C13 | O13 | HO13 | 60.9° | 60.8° |
| H13 | C13 | C12 | H12 | 39.2° | 69.1° |
| H12 | C12 | O12 | HO12 | 63.0° | 58.5° |
| H12 | C12 | C11 | H11 | 114.7° | 67.7° |
| H11 | C11 | O11 | HO11 | 63.2° | 61.0° |
| H9 | C9 | C8 | H8 | 1.8° | 0.1° |
| H7 | C7 | C6 | H6 | 1.7° | 0.2° |
| H6 | C6 | C5 | H5 | 0.7° | 0.2° |
| H4 | C4 | C3 | H3 | 4.0° | 1.7° |
| H3 | C3 | C2 | H2 | 1.0° | 1.7° |
| H2 | C2 | C1 | H1 | 6.0° | 4.0° |
