QLN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C13 | sing | 1.39Å | 1.43Å | Aromatic |
| O03 | C12 | doub | 1.22Å | 1.24Å | |
| C04 | C07 | doub | 1.38Å | 1.41Å | Aromatic |
| C04 | C01 | sing | 1.39Å | 1.42Å | Aromatic |
| C07 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C01 | sing | 1.47Å | 1.51Å | |
| C12 | N02 | sing | 1.35Å | 1.39Å | |
| C01 | C11 | doub | 1.41Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C09 | C10 | doub | 1.37Å | 1.41Å | Aromatic |
| C13 | N02 | sing | 1.40Å | 1.47Å | |
| C13 | C19 | doub | 1.39Å | 1.43Å | Aromatic |
| N02 | C14 | sing | 1.37Å | 1.46Å | |
| C11 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | N05 | sing | 1.35Å | 1.40Å | |
| C14 | N05 | doub | 1.31Å | 1.32Å | |
| C14 | C21 | sing | 1.46Å | 1.46Å | |
| C21 | C22 | doub | 1.35Å | 1.36Å | |
| C18 | C19 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C20 | sing | 1.48Å | 1.51Å | |
| C28 | C27 | doub | 1.37Å | 1.41Å | Aromatic |
| C28 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.47Å | 1.48Å | |
| C27 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | O08 | doub | 1.22Å | 1.25Å | |
| C20 | O06 | sing | 1.35Å | 1.25Å | |
| C23 | C24 | doub | 1.40Å | 1.42Å | Aromatic |
| C26 | C29 | sing | 1.43Å | 1.46Å | |
| C26 | C25 | doub | 1.40Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.37Å | 1.42Å | Aromatic |
| C29 | C30 | trip | 1.17Å | 1.22Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| O06 | H2 | sing | 0.97Å | 0.95Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H15 | sing | 1.08Å | 1.08Å | |
| C30 | H16 | sing | 1.05Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 120.7° | 120.2° |
| C16 | C15 | C13 | 121.2° | 120.3° |
| C16 | C15 | H6 | 119.4° | 119.9° |
| C15 | C16 | H7 | 119.7° | 119.9° |
| C16 | C17 | C18 | 120.3° | 120.0° |
| C17 | C16 | H7 | 119.6° | 119.9° |
| C16 | C17 | H8 | 119.9° | 120.0° |
| C15 | C13 | N02 | 121.5° | 120.0° |
| C15 | C13 | C19 | 116.6° | 120.0° |
| C13 | C15 | H6 | 119.4° | 119.9° |
| O03 | C12 | C01 | 115.8° | 121.2° |
| O03 | C12 | N02 | 124.9° | 121.2° |
| C07 | C04 | C01 | 120.8° | 119.4° |
| C04 | C07 | C09 | 119.6° | 120.7° |
| C07 | C04 | H1 | 119.6° | 120.3° |
| C04 | C07 | H3 | 120.2° | 119.7° |
| C04 | C01 | C12 | 122.6° | 121.8° |
| C04 | C01 | C11 | 119.5° | 119.9° |
| C01 | C04 | H1 | 119.6° | 120.3° |
| C07 | C09 | C10 | 119.7° | 120.9° |
| C09 | C07 | H3 | 120.2° | 119.7° |
| C07 | C09 | H4 | 120.1° | 119.6° |
| C01 | C12 | N02 | 119.3° | 117.6° |
| C12 | C01 | C11 | 117.9° | 118.3° |
| C12 | N02 | C13 | 116.0° | 119.9° |
| C12 | N02 | C14 | 118.0° | 120.3° |
| C01 | C11 | C10 | 119.7° | 119.2° |
| C01 | C11 | N05 | 120.0° | 119.3° |
| C17 | C18 | C19 | 118.9° | 119.8° |
| C17 | C18 | C20 | 118.8° | 120.1° |
| C18 | C17 | H8 | 119.9° | 120.0° |
| C09 | C10 | C11 | 120.6° | 119.9° |
| C10 | C09 | H4 | 120.1° | 119.5° |
| C09 | C10 | H5 | 119.7° | 120.1° |
| N02 | C13 | C19 | 121.9° | 120.0° |
| C13 | N02 | C14 | 126.0° | 119.8° |
| C13 | C19 | C18 | 122.3° | 119.7° |
| C13 | C19 | H9 | 118.9° | 120.2° |
| N02 | C14 | N05 | 122.0° | 122.9° |
| N02 | C14 | C21 | 120.4° | 118.5° |
| C10 | C11 | N05 | 120.3° | 121.5° |
| C11 | C10 | H5 | 119.7° | 120.1° |
| C11 | N05 | C14 | 122.9° | 121.6° |
| N05 | C14 | C21 | 117.6° | 118.5° |
| C14 | C21 | C22 | 119.9° | 120.0° |
| C14 | C21 | H10 | 120.0° | 120.1° |
| C21 | C22 | C23 | 128.7° | 120.0° |
| C22 | C21 | H10 | 120.0° | 120.0° |
| C21 | C22 | H11 | 115.7° | 120.0° |
| C19 | C18 | C20 | 122.2° | 120.1° |
| C18 | C19 | H9 | 118.8° | 120.1° |
| C18 | C20 | O08 | 119.8° | 120.0° |
| C18 | C20 | O06 | 118.0° | 120.0° |
| C27 | C28 | C23 | 120.9° | 120.0° |
| C28 | C27 | C26 | 120.6° | 120.0° |
| C28 | C27 | H14 | 119.7° | 120.0° |
| C27 | C28 | H15 | 119.6° | 120.0° |
| C28 | C23 | C22 | 121.5° | 120.0° |
| C28 | C23 | C24 | 118.4° | 120.0° |
| C23 | C28 | H15 | 119.5° | 120.0° |
| C22 | C23 | C24 | 120.2° | 120.0° |
| C23 | C22 | H11 | 115.6° | 120.0° |
| C27 | C26 | C29 | 120.0° | 119.9° |
| C27 | C26 | C25 | 119.0° | 120.1° |
| C26 | C27 | H14 | 119.7° | 120.0° |
| O08 | C20 | O06 | 122.2° | 120.0° |
| C20 | O06 | H2 | 109.5° | 117.0° |
| C23 | C24 | C25 | 120.8° | 120.0° |
| C23 | C24 | H12 | 119.6° | 120.0° |
| C29 | C26 | C25 | 121.0° | 120.0° |
| C26 | C29 | C30 | 176.7° | 180.0° |
| C26 | C25 | C24 | 120.4° | 120.0° |
| C26 | C25 | H13 | 119.8° | 120.0° |
| C25 | C24 | H12 | 119.6° | 120.0° |
| C24 | C25 | H13 | 119.8° | 120.0° |
| C29 | C30 | H16 | 180.0° | 180.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H7 | 180.0° | 180.0° |
| C16 | C15 | C13 | H6 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C16 | C15 | C13 | N02 | 178.7° | 180.0° |
| C16 | C15 | C13 | C19 | 0.9° | 0.3° |
| C15 | C16 | C17 | H8 | 179.9° | 179.9° |
| C17 | C16 | C15 | C13 | 0.2° | 0.1° |
| C16 | C17 | C18 | H8 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.3° | 0.3° |
| C16 | C17 | C18 | C20 | 179.8° | 180.0° |
| C17 | C16 | C15 | H6 | 179.8° | 180.0° |
| C15 | C13 | N02 | C12 | 42.0° | 90.4° |
| C15 | C13 | N02 | C19 | 177.6° | 179.6° |
| C15 | C13 | N02 | C14 | 139.8° | 89.9° |
| C15 | C13 | C19 | C18 | 1.3° | 0.6° |
| C13 | C15 | C16 | H7 | 179.8° | 179.9° |
| C15 | C13 | C19 | H9 | 178.7° | 179.7° |
| O03 | C12 | C01 | C04 | 0.0° | 0.2° |
| O03 | C12 | C01 | N02 | 179.7° | 180.0° |
| O03 | C12 | C01 | C11 | 179.8° | 180.0° |
| O03 | C12 | N02 | C13 | 1.0° | 0.3° |
| O03 | C12 | N02 | C14 | 179.4° | 180.0° |
| C07 | C04 | C01 | H1 | 180.0° | 179.9° |
| C04 | C07 | C09 | H3 | 180.0° | 180.0° |
| C07 | C04 | C01 | C12 | 180.0° | 179.7° |
| C07 | C04 | C01 | C11 | 0.1° | 0.1° |
| C04 | C07 | C09 | C10 | 0.0° | 0.0° |
| C04 | C07 | C09 | H4 | 180.0° | 180.0° |
| C01 | C04 | C07 | C09 | 0.1° | 0.0° |
| C04 | C01 | C12 | C11 | 179.9° | 179.8° |
| C04 | C01 | C12 | N02 | 179.6° | 179.8° |
| C04 | C01 | C11 | C10 | 0.0° | 0.1° |
| C04 | C01 | C11 | N05 | 179.9° | 180.0° |
| C01 | C04 | C07 | H3 | 179.9° | 180.0° |
| C07 | C09 | C10 | H4 | 180.0° | 180.0° |
| C07 | C09 | C10 | C11 | 0.1° | 0.0° |
| C09 | C07 | C04 | H1 | 179.9° | 179.9° |
| C07 | C09 | C10 | H5 | 180.0° | 179.9° |
| C01 | C12 | N02 | C13 | 179.3° | 179.7° |
| C01 | C12 | N02 | C14 | 1.0° | 0.0° |
| C12 | C01 | C11 | C10 | 179.9° | 179.7° |
| C12 | C01 | C11 | N05 | 0.2° | 0.2° |
| C12 | C01 | C04 | H1 | 0.1° | 0.2° |
| N02 | C12 | C01 | C11 | 0.5° | 0.0° |
| C12 | N02 | C13 | C14 | 178.2° | 179.7° |
| C12 | N02 | C13 | C19 | 135.7° | 89.3° |
| C12 | N02 | C14 | N05 | 1.2° | 0.2° |
| C12 | N02 | C14 | C21 | 180.0° | 180.0° |
| C01 | C11 | C10 | C09 | 0.1° | 0.1° |
| C01 | C11 | C10 | N05 | 179.9° | 179.9° |
| C01 | C11 | N05 | C14 | 0.5° | 0.4° |
| C11 | C01 | C04 | H1 | 179.9° | 180.0° |
| C01 | C11 | C10 | H5 | 180.0° | 180.0° |
| C17 | C18 | C19 | C13 | 1.0° | 0.5° |
| C17 | C18 | C19 | C20 | 179.5° | 179.8° |
| C17 | C18 | C20 | O08 | 134.3° | 180.0° |
| C17 | C18 | C20 | O06 | 45.6° | 0.0° |
| C18 | C17 | C16 | H7 | 179.9° | 180.0° |
| C17 | C18 | C19 | H9 | 179.0° | 179.7° |
| C09 | C10 | C11 | H5 | 180.0° | 179.9° |
| C09 | C10 | C11 | N05 | 179.8° | 179.9° |
| C10 | C09 | C07 | H3 | 180.0° | 180.0° |
| C13 | N02 | C14 | N05 | 179.4° | 179.9° |
| C13 | N02 | C14 | C21 | 1.8° | 0.3° |
| N02 | C13 | C19 | C18 | 179.1° | 179.8° |
| N02 | C13 | C15 | H6 | 1.3° | 0.1° |
| N02 | C13 | C19 | H9 | 0.9° | 0.0° |
| C19 | C13 | N02 | C14 | 42.6° | 90.4° |
| C13 | C19 | C18 | H9 | 180.0° | 179.8° |
| C13 | C19 | C18 | C20 | 179.5° | 179.7° |
| C19 | C13 | C15 | H6 | 179.1° | 179.8° |
| N02 | C14 | N05 | C11 | 1.0° | 0.5° |
| N02 | C14 | N05 | C21 | 178.8° | 179.8° |
| N02 | C14 | C21 | C22 | 145.4° | 174.6° |
| N02 | C14 | C21 | H10 | 34.6° | 5.4° |
| C10 | C11 | N05 | C14 | 179.6° | 179.5° |
| C11 | C10 | C09 | H4 | 179.9° | 180.0° |
| C11 | N05 | C14 | C21 | 179.8° | 179.7° |
| N05 | C11 | C10 | H5 | 0.1° | 0.2° |
| N05 | C14 | C21 | C22 | 35.8° | 5.3° |
| N05 | C14 | C21 | H10 | 144.2° | 174.8° |
| C14 | C21 | C22 | H10 | 180.0° | 180.0° |
| C14 | C21 | C22 | C23 | 178.7° | 180.0° |
| C14 | C21 | C22 | H11 | 1.3° | 0.0° |
| C21 | C22 | C23 | C28 | 76.2° | 0.3° |
| C21 | C22 | C23 | H11 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 104.8° | 180.0° |
| C19 | C18 | C20 | O08 | 46.2° | 0.2° |
| C19 | C18 | C20 | O06 | 133.9° | 179.8° |
| C19 | C18 | C17 | H8 | 179.8° | 179.9° |
| C18 | C20 | O08 | O06 | 179.9° | 180.0° |
| C18 | C20 | O06 | H2 | 179.9° | 180.0° |
| C20 | C18 | C17 | H8 | 0.2° | 0.1° |
| C20 | C18 | C19 | H9 | 0.5° | 0.0° |
| C27 | C28 | C23 | H15 | 180.0° | 179.4° |
| C27 | C28 | C23 | C22 | 179.6° | 179.6° |
| C28 | C27 | C26 | H14 | 180.0° | 179.7° |
| C27 | C28 | C23 | C24 | 0.6° | 0.6° |
| C28 | C27 | C26 | C29 | 179.9° | 179.7° |
| C28 | C27 | C26 | C25 | 0.0° | 0.3° |
| C28 | C23 | C22 | C24 | 178.9° | 179.7° |
| C23 | C28 | C27 | C26 | 0.3° | 0.6° |
| C28 | C23 | C24 | C25 | 0.5° | 0.3° |
| C28 | C23 | C22 | H11 | 103.8° | 179.7° |
| C28 | C23 | C24 | H12 | 179.5° | 179.8° |
| C23 | C28 | C27 | H14 | 179.7° | 179.7° |
| C22 | C23 | C24 | C25 | 179.5° | 180.0° |
| C23 | C22 | C21 | H10 | 1.3° | 0.0° |
| C22 | C23 | C24 | H12 | 0.5° | 0.1° |
| C22 | C23 | C28 | H15 | 0.4° | 0.3° |
| C27 | C26 | C29 | C25 | 179.9° | 180.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C27 | C26 | C29 | C30 | 0.1° | 107.3° |
| C27 | C26 | C25 | H13 | 179.9° | 180.0° |
| C26 | C27 | C28 | H15 | 179.7° | 180.0° |
| O08 | C20 | O06 | H2 | 0.0° | 0.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C23 | C24 | C25 | H12 | 180.0° | 179.9° |
| C24 | C23 | C22 | H11 | 75.2° | 0.0° |
| C23 | C24 | C25 | H13 | 179.8° | 180.0° |
| C24 | C23 | C28 | H15 | 179.4° | 180.0° |
| C29 | C26 | C25 | C24 | 180.0° | 180.0° |
| C29 | C26 | C25 | H13 | 0.0° | 0.0° |
| C29 | C26 | C27 | H14 | 0.1° | 0.1° |
| C26 | C29 | C30 | H16 | 110.0° | 137.6° |
| C26 | C25 | C24 | H13 | 180.0° | 180.0° |
| C25 | C26 | C29 | C30 | 179.9° | 72.8° |
| C26 | C25 | C24 | H12 | 179.8° | 179.9° |
| C25 | C26 | C27 | H14 | 180.0° | 180.0° |
| H1 | C04 | C07 | H3 | 0.1° | 0.0° |
| H3 | C07 | C09 | H4 | 0.0° | 0.0° |
| H4 | C09 | C10 | H5 | 0.0° | 0.1° |
| H6 | C15 | C16 | H7 | 0.2° | 0.1° |
| H7 | C16 | C17 | H8 | 0.1° | 0.1° |
| H10 | C21 | C22 | H11 | 178.7° | 180.0° |
| H12 | C24 | C25 | H13 | 0.2° | 0.1° |
| H14 | C27 | C28 | H15 | 0.3° | 0.3° |
