20L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C15 | sing | 1.47Å | 1.49Å | |
| C15 | C23 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | O10 | sing | 1.36Å | 1.38Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | O10 | sing | 1.36Å | 1.38Å | |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| N13 | H19 | sing | 1.01Å | 1.00Å | |
| N13 | H29 | sing | 1.01Å | 1.00Å | |
| N13 | H39 | sing | 1.01Å | 1.00Å | |
| C15 | H51 | sing | 1.09Å | 1.10Å | |
| C15 | H52 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C15 | C23 | 114.0° | 109.5° |
| C15 | N13 | H19 | 109.5° | 109.5° |
| C15 | N13 | H29 | 109.4° | 109.5° |
| C15 | N13 | H39 | 109.5° | 109.4° |
| N13 | C15 | H51 | 108.4° | 109.5° |
| N13 | C15 | H52 | 108.3° | 109.5° |
| C15 | C23 | C24 | 120.3° | 119.9° |
| C15 | C23 | C28 | 121.2° | 120.0° |
| C23 | C15 | H51 | 108.3° | 109.5° |
| C23 | C15 | H52 | 108.3° | 109.4° |
| C18 | C17 | C22 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.3° | 119.9° |
| C18 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C17 | C22 | C21 | 120.1° | 120.2° |
| C22 | C17 | H17 | 120.0° | 120.0° |
| C17 | C22 | H22 | 120.0° | 119.9° |
| C18 | C19 | C20 | 119.5° | 119.9° |
| C18 | C19 | O10 | 119.7° | 120.0° |
| C19 | C18 | H18 | 119.9° | 120.1° |
| C20 | C19 | O10 | 120.8° | 120.0° |
| C19 | C20 | C21 | 120.0° | 119.9° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C19 | O10 | C26 | 123.5° | 118.0° |
| C20 | C21 | C22 | 120.1° | 120.0° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C20 | C21 | H21 | 120.0° | 120.0° |
| C22 | C21 | H21 | 119.9° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C24 | C23 | C28 | 118.6° | 120.1° |
| C23 | C24 | C25 | 120.8° | 120.0° |
| C23 | C24 | H24 | 119.6° | 120.0° |
| C23 | C28 | C27 | 120.6° | 120.1° |
| C23 | C28 | H28 | 119.7° | 119.9° |
| C24 | C25 | C26 | 120.3° | 119.9° |
| C24 | C25 | H25 | 119.9° | 120.1° |
| C25 | C24 | H24 | 119.6° | 120.0° |
| C25 | C26 | C27 | 119.6° | 119.9° |
| C25 | C26 | O10 | 120.7° | 120.1° |
| C26 | C25 | H25 | 119.9° | 120.0° |
| C27 | C26 | O10 | 119.7° | 120.1° |
| C26 | C27 | C28 | 120.2° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| C27 | C28 | H28 | 119.7° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| H19 | N13 | H29 | 109.5° | 109.5° |
| H19 | N13 | H39 | 109.5° | 109.5° |
| H29 | N13 | H39 | 109.5° | 109.5° |
| H51 | C15 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C15 | C23 | H51 | 120.7° | 120.0° |
| N13 | C15 | C23 | H52 | 120.7° | 120.0° |
| N13 | C15 | C23 | C24 | 175.5° | 90.0° |
| N13 | C15 | C23 | C28 | 4.5° | 90.2° |
| C15 | N13 | H19 | H29 | 120.0° | 120.0° |
| C15 | N13 | H19 | H39 | 120.0° | 120.0° |
| C15 | N13 | H29 | H39 | 120.0° | 120.0° |
| N13 | C15 | H51 | H52 | 118.0° | 120.0° |
| C15 | C23 | C24 | C28 | 179.9° | 179.8° |
| C15 | C23 | C24 | C25 | 179.4° | 180.0° |
| C15 | C23 | C28 | C27 | 179.8° | 179.8° |
| C23 | C15 | N13 | H19 | 180.0° | 60.1° |
| C23 | C15 | N13 | H29 | 60.0° | 60.0° |
| C23 | C15 | N13 | H39 | 60.0° | 180.0° |
| C23 | C15 | H51 | H52 | 117.9° | 120.0° |
| C15 | C23 | C24 | H24 | 0.6° | 0.0° |
| C15 | C23 | C28 | H28 | 0.2° | 0.0° |
| C18 | C17 | C22 | H17 | 180.0° | 179.5° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 1.8° | 0.3° |
| C17 | C18 | C19 | O10 | 179.7° | 179.8° |
| C18 | C17 | C22 | C21 | 0.1° | 0.5° |
| C18 | C17 | C22 | H22 | 179.9° | 179.8° |
| C22 | C17 | C18 | C19 | 0.7° | 0.5° |
| C17 | C22 | C21 | C20 | 0.5° | 0.2° |
| C17 | C22 | C21 | H22 | 180.0° | 179.8° |
| C17 | C22 | C21 | H21 | 179.5° | 179.8° |
| C22 | C17 | C18 | H18 | 179.3° | 179.8° |
| C18 | C19 | C20 | O10 | 177.9° | 179.9° |
| C18 | C19 | C20 | C21 | 2.2° | 0.0° |
| C18 | C19 | O10 | C26 | 145.0° | 179.5° |
| C18 | C19 | C20 | H20 | 177.8° | 179.9° |
| C19 | C18 | C17 | H17 | 179.3° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 1.6° | 0.0° |
| C20 | C19 | O10 | C26 | 32.8° | 0.5° |
| C19 | C20 | C21 | H21 | 178.4° | 180.0° |
| C20 | C19 | C18 | H18 | 178.2° | 180.0° |
| O10 | C19 | C20 | C21 | 180.0° | 179.9° |
| C19 | O10 | C26 | C25 | 26.1° | 89.9° |
| C19 | O10 | C26 | C27 | 153.3° | 90.2° |
| O10 | C19 | C20 | H20 | 0.0° | 0.0° |
| O10 | C19 | C18 | H18 | 0.3° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 179.5° | 179.9° |
| C22 | C21 | C20 | H20 | 178.4° | 180.0° |
| C21 | C22 | C17 | H17 | 179.9° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 1.3° | 0.0° |
| C24 | C23 | C28 | C27 | 0.1° | 0.4° |
| C24 | C23 | C15 | H51 | 63.9° | 30.0° |
| C24 | C23 | C15 | H52 | 54.8° | 150.0° |
| C23 | C24 | C25 | H25 | 178.7° | 180.0° |
| C24 | C23 | C28 | H28 | 179.9° | 179.7° |
| C28 | C23 | C24 | C25 | 0.6° | 0.2° |
| C23 | C28 | C27 | C26 | 0.2° | 0.4° |
| C23 | C28 | C27 | H28 | 180.0° | 179.8° |
| C28 | C23 | C15 | H51 | 116.2° | 149.7° |
| C28 | C23 | C15 | H52 | 125.1° | 29.8° |
| C28 | C23 | C24 | H24 | 179.4° | 179.8° |
| C23 | C28 | C27 | H27 | 179.8° | 179.7° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 1.2° | 0.0° |
| C24 | C25 | C26 | O10 | 179.4° | 180.0° |
| C25 | C26 | C27 | O10 | 179.4° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.2° |
| C26 | C25 | C24 | H24 | 178.7° | 180.0° |
| C25 | C26 | C27 | H27 | 179.6° | 179.9° |
| C26 | C27 | C28 | H27 | 180.0° | 179.8° |
| C27 | C26 | C25 | H25 | 178.8° | 180.0° |
| C26 | C27 | C28 | H28 | 179.8° | 179.7° |
| O10 | C26 | C27 | C28 | 179.9° | 179.8° |
| O10 | C26 | C25 | H25 | 0.6° | 0.0° |
| O10 | C26 | C27 | H27 | 0.1° | 0.0° |
| H19 | N13 | H29 | H39 | 120.0° | 120.0° |
| H19 | N13 | C15 | H51 | 59.3° | 60.0° |
| H19 | N13 | C15 | H52 | 59.3° | 180.0° |
| H29 | N13 | C15 | H51 | 60.7° | 180.0° |
| H29 | N13 | C15 | H52 | 179.3° | 60.0° |
| H39 | N13 | C15 | H51 | 179.4° | 60.0° |
| H39 | N13 | C15 | H52 | 60.7° | 60.0° |
| H25 | C25 | C24 | H24 | 1.3° | 0.0° |
| H20 | C20 | C21 | H21 | 1.6° | 0.1° |
| H21 | C21 | C22 | H22 | 0.5° | 0.0° |
| H17 | C17 | C18 | H18 | 0.7° | 0.3° |
| H17 | C17 | C22 | H22 | 0.1° | 0.3° |
| H28 | C28 | C27 | H27 | 0.2° | 0.1° |
