A1LZN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C19 | sing | 1.47Å | 1.47Å | |
| N1 | C20 | sing | 1.36Å | 1.35Å | |
| N1 | C21 | sing | 1.45Å | 1.48Å | |
| N2 | N3 | sing | 1.28Å | 1.35Å | Aromatic |
| N2 | C23 | sing | 1.46Å | 1.45Å | |
| N2 | C25 | sing | 1.37Å | 1.35Å | Aromatic |
| N3 | C26 | doub | 1.31Å | 1.32Å | Aromatic |
| C4 | C13 | sing | 1.51Å | 1.49Å | |
| C4 | F29 | sing | 1.40Å | 1.32Å | |
| C4 | F30 | sing | 1.40Å | 1.32Å | |
| C4 | F31 | sing | 1.40Å | 1.32Å | |
| C5 | C21 | sing | 1.53Å | 1.52Å | |
| C5 | O27 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | F32 | sing | 1.35Å | 1.35Å | |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | F33 | sing | 1.35Å | 1.35Å | |
| C10 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C19 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C26 | sing | 1.51Å | 1.47Å | |
| C20 | C25 | sing | 1.48Å | 1.48Å | |
| C20 | O28 | doub | 1.22Å | 1.22Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | doub | 1.37Å | 1.38Å | Aromatic |
| C24 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| O27 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | N1 | C20 | 118.7° | 120.4° |
| C19 | N1 | C21 | 122.3° | 120.4° |
| N1 | C19 | C16 | 118.9° | 109.4° |
| N1 | C19 | H16 | 107.1° | 109.5° |
| N1 | C19 | H17 | 107.1° | 109.5° |
| C20 | N1 | C21 | 119.0° | 119.1° |
| N1 | C20 | C25 | 118.4° | 115.4° |
| N1 | C20 | O28 | 121.6° | 122.3° |
| N1 | C21 | C5 | 113.6° | 108.6° |
| N1 | C21 | C22 | 113.8° | 113.6° |
| N1 | C21 | H7 | 106.8° | 108.6° |
| N3 | N2 | C23 | 118.3° | 128.0° |
| N3 | N2 | C25 | 112.4° | 108.7° |
| N2 | N3 | C26 | 105.1° | 111.0° |
| C23 | N2 | C25 | 129.3° | 123.4° |
| N2 | C23 | C22 | 112.1° | 110.0° |
| N2 | C23 | H18 | 108.8° | 109.4° |
| N2 | C23 | H19 | 108.8° | 109.3° |
| N2 | C25 | C20 | 121.9° | 122.0° |
| N2 | C25 | C24 | 106.0° | 107.6° |
| N3 | C26 | C18 | 116.5° | 126.0° |
| N3 | C26 | C24 | 110.9° | 108.1° |
| C13 | C4 | F29 | 112.5° | 109.5° |
| C13 | C4 | F30 | 114.5° | 109.5° |
| C13 | C4 | F31 | 112.0° | 109.5° |
| C4 | C13 | C12 | 120.4° | 120.0° |
| C4 | C13 | C14 | 120.9° | 120.0° |
| F29 | C4 | F30 | 105.1° | 109.5° |
| F29 | C4 | F31 | 106.0° | 109.5° |
| F30 | C4 | F31 | 106.1° | 109.4° |
| C21 | C5 | O27 | 113.5° | 109.5° |
| C5 | C21 | C22 | 109.6° | 108.7° |
| C21 | C5 | H1 | 108.4° | 109.4° |
| C21 | C5 | H2 | 108.5° | 109.5° |
| C5 | C21 | H7 | 106.4° | 108.7° |
| O27 | C5 | H1 | 108.5° | 109.5° |
| O27 | C5 | H2 | 108.4° | 109.5° |
| C5 | O27 | H20 | 109.5° | 114.0° |
| C7 | C6 | C17 | 119.0° | 120.0° |
| C6 | C7 | C8 | 123.6° | 120.0° |
| C6 | C7 | F32 | 117.8° | 120.0° |
| C7 | C6 | H3 | 120.5° | 120.0° |
| C6 | C17 | C10 | 119.2° | 120.0° |
| C6 | C17 | C18 | 119.7° | 120.0° |
| C17 | C6 | H3 | 120.5° | 120.0° |
| C8 | C7 | F32 | 118.6° | 120.0° |
| C7 | C8 | C9 | 115.7° | 119.9° |
| C7 | C8 | H4 | 122.1° | 120.0° |
| C8 | C9 | C10 | 123.9° | 120.0° |
| C8 | C9 | F33 | 117.9° | 120.0° |
| C9 | C8 | H4 | 122.1° | 120.1° |
| C10 | C9 | F33 | 118.3° | 120.0° |
| C9 | C10 | C17 | 118.5° | 120.0° |
| C9 | C10 | H5 | 120.7° | 120.0° |
| C10 | C17 | C18 | 121.1° | 120.0° |
| C17 | C10 | H5 | 120.7° | 120.0° |
| C12 | C11 | C16 | 121.3° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.0° |
| C12 | C11 | H11 | 119.4° | 120.0° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C11 | C16 | C15 | 119.0° | 120.1° |
| C11 | C16 | C19 | 118.8° | 120.0° |
| C16 | C11 | H11 | 119.3° | 120.0° |
| C12 | C13 | C14 | 118.7° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C13 | C14 | C15 | 121.1° | 120.0° |
| C13 | C14 | H13 | 119.5° | 120.0° |
| C14 | C15 | C16 | 119.9° | 120.0° |
| C14 | C15 | H6 | 120.1° | 120.0° |
| C15 | C14 | H13 | 119.4° | 120.0° |
| C15 | C16 | C19 | 122.2° | 120.0° |
| C16 | C15 | H6 | 120.1° | 120.0° |
| C16 | C19 | H16 | 107.1° | 109.5° |
| C16 | C19 | H17 | 107.1° | 109.5° |
| C17 | C18 | C26 | 111.7° | 109.5° |
| C17 | C18 | H14 | 108.9° | 109.5° |
| C17 | C18 | H15 | 108.9° | 109.4° |
| C18 | C26 | C24 | 132.6° | 125.9° |
| C26 | C18 | H14 | 108.9° | 109.4° |
| C26 | C18 | H15 | 108.9° | 109.4° |
| C25 | C20 | O28 | 120.0° | 122.2° |
| C20 | C25 | C24 | 132.1° | 130.4° |
| C21 | C22 | C23 | 115.5° | 109.8° |
| C22 | C21 | H7 | 106.0° | 108.6° |
| C21 | C22 | H8 | 108.0° | 109.4° |
| C21 | C22 | H9 | 108.0° | 109.4° |
| C23 | C22 | H8 | 107.9° | 109.5° |
| C23 | C22 | H9 | 107.9° | 109.5° |
| C22 | C23 | H18 | 108.8° | 109.4° |
| C22 | C23 | H19 | 108.8° | 109.4° |
| C25 | C24 | C26 | 105.6° | 104.6° |
| C25 | C24 | H10 | 127.2° | 127.6° |
| C26 | C24 | H10 | 127.2° | 127.8° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.4° | 109.3° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.4° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | N1 | C20 | C21 | 178.9° | 179.8° |
| C19 | N1 | C21 | C5 | 21.3° | 26.0° |
| N1 | C19 | C16 | C11 | 173.0° | 96.7° |
| N1 | C19 | C16 | C15 | 6.7° | 83.3° |
| N1 | C19 | C16 | H16 | 121.4° | 120.0° |
| N1 | C19 | C16 | H17 | 121.3° | 120.0° |
| C19 | N1 | C20 | C25 | 177.9° | 166.3° |
| C19 | N1 | C20 | O28 | 0.3° | 13.7° |
| C19 | N1 | C21 | C22 | 105.2° | 95.1° |
| C19 | N1 | C21 | H7 | 138.2° | 144.0° |
| N1 | C19 | H16 | H17 | 115.7° | 120.0° |
| N1 | C20 | C25 | N2 | 49.4° | 43.6° |
| C20 | N1 | C21 | C5 | 159.9° | 153.8° |
| C20 | N1 | C19 | C16 | 89.0° | 85.1° |
| N1 | C20 | C25 | O28 | 178.3° | 180.0° |
| C20 | N1 | C21 | C22 | 73.7° | 85.1° |
| N1 | C20 | C25 | C24 | 132.3° | 136.2° |
| C20 | N1 | C21 | H7 | 42.9° | 35.8° |
| C20 | N1 | C19 | H16 | 32.4° | 34.9° |
| C20 | N1 | C19 | H17 | 149.7° | 154.9° |
| N1 | C21 | C5 | C22 | 128.6° | 124.0° |
| N1 | C21 | C5 | H7 | 117.2° | 118.0° |
| N1 | C21 | C5 | O27 | 94.4° | 67.9° |
| C21 | N1 | C19 | C16 | 92.1° | 94.7° |
| C21 | N1 | C20 | C25 | 1.0° | 13.9° |
| C21 | N1 | C20 | O28 | 179.2° | 166.1° |
| N1 | C21 | C22 | H7 | 117.1° | 120.9° |
| N1 | C21 | C22 | C23 | 54.2° | 44.4° |
| N1 | C21 | C5 | H1 | 145.0° | 172.1° |
| N1 | C21 | C5 | H2 | 26.1° | 52.1° |
| N1 | C21 | C22 | H8 | 175.1° | 164.6° |
| N1 | C21 | C22 | H9 | 66.7° | 75.7° |
| C21 | N1 | C19 | H16 | 146.5° | 145.3° |
| C21 | N1 | C19 | H17 | 29.2° | 25.3° |
| N3 | N2 | C23 | C25 | 179.2° | 179.7° |
| N2 | N3 | C26 | C18 | 179.7° | 179.8° |
| N3 | N2 | C25 | C20 | 179.6° | 179.6° |
| N3 | N2 | C23 | C22 | 121.4° | 108.6° |
| N3 | N2 | C25 | C24 | 1.0° | 0.5° |
| N2 | N3 | C26 | C24 | 0.4° | 0.1° |
| N3 | N2 | C23 | H18 | 118.2° | 11.5° |
| N3 | N2 | C23 | H19 | 1.0° | 131.3° |
| C23 | N2 | N3 | C26 | 179.8° | 179.4° |
| C23 | N2 | C25 | C20 | 1.1° | 0.7° |
| N2 | C23 | C22 | C21 | 23.7° | 42.4° |
| N2 | C23 | C22 | H18 | 120.4° | 120.2° |
| N2 | C23 | C22 | H19 | 120.4° | 120.1° |
| C23 | N2 | C25 | C24 | 179.8° | 179.2° |
| N2 | C23 | C22 | H8 | 97.2° | 77.7° |
| N2 | C23 | C22 | H9 | 144.6° | 162.5° |
| N2 | C23 | H18 | H19 | 118.8° | 119.7° |
| C25 | N2 | N3 | C26 | 0.9° | 0.3° |
| N2 | C25 | C20 | C24 | 178.2° | 179.8° |
| N2 | C25 | C20 | O28 | 128.9° | 136.4° |
| C25 | N2 | C23 | C22 | 57.9° | 71.1° |
| N2 | C25 | C24 | C26 | 0.7° | 0.5° |
| N2 | C25 | C24 | H10 | 179.3° | 179.5° |
| C25 | N2 | C23 | H18 | 62.5° | 168.8° |
| C25 | N2 | C23 | H19 | 178.3° | 49.1° |
| N3 | C26 | C18 | C17 | 173.2° | 54.9° |
| N3 | C26 | C18 | C24 | 179.9° | 179.7° |
| N3 | C26 | C24 | C25 | 0.2° | 0.4° |
| N3 | C26 | C24 | H10 | 179.8° | 179.7° |
| N3 | C26 | C18 | H14 | 52.9° | 174.9° |
| N3 | C26 | C18 | H15 | 66.5° | 65.1° |
| C13 | C4 | F29 | F30 | 125.2° | 120.0° |
| C13 | C4 | F29 | F31 | 122.8° | 120.0° |
| C13 | C4 | F30 | F31 | 124.0° | 120.0° |
| C4 | C13 | C12 | C11 | 179.7° | 180.0° |
| C4 | C13 | C12 | C14 | 179.7° | 179.7° |
| C4 | C13 | C14 | C15 | 179.6° | 180.0° |
| C4 | C13 | C12 | H12 | 0.4° | 0.0° |
| C4 | C13 | C14 | H13 | 0.4° | 0.0° |
| F29 | C4 | F30 | F31 | 112.0° | 120.0° |
| F29 | C4 | C13 | C12 | 120.8° | 89.7° |
| F29 | C4 | C13 | C14 | 59.5° | 90.0° |
| F30 | C4 | C13 | C12 | 1.0° | 30.3° |
| F30 | C4 | C13 | C14 | 179.3° | 150.0° |
| F31 | C4 | C13 | C12 | 119.8° | 150.3° |
| F31 | C4 | C13 | C14 | 59.8° | 30.0° |
| C21 | C5 | O27 | H1 | 120.6° | 119.9° |
| C21 | C5 | O27 | H2 | 120.6° | 120.0° |
| C5 | C21 | C22 | H7 | 114.4° | 118.0° |
| C5 | C21 | C22 | C23 | 177.3° | 165.5° |
| C21 | C5 | H1 | H2 | 118.2° | 120.0° |
| C5 | C21 | C22 | H8 | 56.4° | 74.4° |
| C5 | C21 | C22 | H9 | 61.8° | 45.3° |
| C21 | C5 | O27 | H20 | 180.0° | 180.0° |
| O27 | C5 | C21 | C22 | 34.2° | 56.1° |
| O27 | C5 | H1 | H2 | 118.1° | 120.1° |
| O27 | C5 | C21 | H7 | 148.3° | 174.1° |
| C7 | C6 | C17 | H3 | 180.0° | 179.7° |
| C6 | C7 | C8 | F32 | 179.8° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C7 | C6 | C17 | C10 | 0.9° | 0.0° |
| C7 | C6 | C17 | C18 | 179.5° | 180.0° |
| C6 | C7 | C8 | H4 | 179.9° | 180.0° |
| C17 | C6 | C7 | C8 | 0.5° | 0.0° |
| C17 | C6 | C7 | F32 | 179.7° | 180.0° |
| C6 | C17 | C10 | C9 | 0.9° | 0.0° |
| C6 | C17 | C10 | C18 | 178.6° | 180.0° |
| C6 | C17 | C18 | C26 | 94.3° | 90.0° |
| C6 | C17 | C10 | H5 | 179.2° | 179.9° |
| C6 | C17 | C18 | H14 | 145.3° | 150.0° |
| C6 | C17 | C18 | H15 | 26.0° | 30.0° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C7 | C8 | C9 | F33 | 179.9° | 179.9° |
| C8 | C7 | C6 | H3 | 179.5° | 179.7° |
| F32 | C7 | C8 | C9 | 179.9° | 179.9° |
| F32 | C7 | C6 | H3 | 0.3° | 0.4° |
| F32 | C7 | C8 | H4 | 0.1° | 0.1° |
| C8 | C9 | C10 | F33 | 179.9° | 179.9° |
| C8 | C9 | C10 | C17 | 0.4° | 0.0° |
| C8 | C9 | C10 | H5 | 179.6° | 179.9° |
| C9 | C10 | C17 | H5 | 180.0° | 180.0° |
| C9 | C10 | C17 | C18 | 179.4° | 180.0° |
| C10 | C9 | C8 | H4 | 180.0° | 180.0° |
| F33 | C9 | C10 | C17 | 179.7° | 180.0° |
| F33 | C9 | C8 | H4 | 0.1° | 0.0° |
| F33 | C9 | C10 | H5 | 0.3° | 0.0° |
| C10 | C17 | C18 | C26 | 87.1° | 90.0° |
| C10 | C17 | C6 | H3 | 179.1° | 179.7° |
| C10 | C17 | C18 | H14 | 33.2° | 30.0° |
| C10 | C17 | C18 | H15 | 152.5° | 150.0° |
| C12 | C11 | C16 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.3° |
| C12 | C11 | C16 | C15 | 0.1° | 0.2° |
| C12 | C11 | C16 | C19 | 179.8° | 179.8° |
| C16 | C11 | C12 | C13 | 0.1° | 0.1° |
| C11 | C16 | C15 | C14 | 0.0° | 0.3° |
| C11 | C16 | C15 | C19 | 179.7° | 180.0° |
| C11 | C16 | C15 | H6 | 180.0° | 180.0° |
| C16 | C11 | C12 | H12 | 180.0° | 180.0° |
| C11 | C16 | C19 | H16 | 51.6° | 143.3° |
| C11 | C16 | C19 | H17 | 65.7° | 23.3° |
| C12 | C13 | C14 | C15 | 0.1° | 0.3° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C12 | C13 | C14 | H13 | 179.9° | 179.7° |
| C13 | C14 | C15 | H13 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H6 | 179.9° | 179.7° |
| C14 | C13 | C12 | H12 | 179.9° | 179.7° |
| C14 | C15 | C16 | H6 | 180.0° | 179.7° |
| C14 | C15 | C16 | C19 | 179.7° | 179.7° |
| C15 | C16 | C11 | H11 | 179.9° | 179.7° |
| C16 | C15 | C14 | H13 | 179.9° | 180.0° |
| C15 | C16 | C19 | H16 | 128.1° | 36.7° |
| C15 | C16 | C19 | H17 | 114.6° | 156.7° |
| C19 | C16 | C15 | H6 | 0.4° | 0.0° |
| C19 | C16 | C11 | H11 | 0.2° | 0.3° |
| C16 | C19 | H16 | H17 | 115.7° | 120.0° |
| C17 | C18 | C26 | H14 | 120.3° | 120.0° |
| C17 | C18 | C26 | H15 | 120.3° | 120.0° |
| C17 | C18 | C26 | C24 | 6.9° | 124.8° |
| C18 | C17 | C6 | H3 | 0.5° | 0.3° |
| C18 | C17 | C10 | H5 | 0.6° | 0.1° |
| C17 | C18 | H14 | H15 | 119.0° | 120.0° |
| C18 | C26 | C24 | C25 | 179.7° | 179.9° |
| C18 | C26 | C24 | H10 | 0.3° | 0.0° |
| C26 | C18 | H14 | H15 | 119.0° | 120.0° |
| C20 | C25 | C24 | C26 | 179.1° | 179.6° |
| C20 | C25 | C24 | H10 | 0.9° | 0.3° |
| O28 | C20 | C25 | C24 | 49.4° | 43.8° |
| C21 | C22 | C23 | H8 | 120.9° | 120.1° |
| C21 | C22 | C23 | H9 | 120.9° | 120.1° |
| C22 | C21 | C5 | H1 | 86.4° | 63.9° |
| C22 | C21 | C5 | H2 | 154.7° | 176.1° |
| C21 | C22 | H8 | H9 | 117.3° | 119.8° |
| C21 | C22 | C23 | H18 | 96.7° | 162.6° |
| C21 | C22 | C23 | H19 | 144.1° | 77.7° |
| C23 | C22 | C21 | H7 | 62.9° | 76.5° |
| C23 | C22 | H8 | H9 | 117.2° | 119.9° |
| C22 | C23 | H18 | H19 | 118.8° | 119.8° |
| C25 | C24 | C26 | H10 | 180.0° | 179.9° |
| C24 | C26 | C18 | H14 | 127.2° | 4.7° |
| C24 | C26 | C18 | H15 | 113.4° | 115.3° |
| H1 | C5 | C21 | H7 | 27.7° | 54.1° |
| H1 | C5 | O27 | H20 | 59.4° | 60.1° |
| H2 | C5 | C21 | H7 | 91.1° | 65.9° |
| H2 | C5 | O27 | H20 | 59.4° | 60.0° |
| H6 | C15 | C14 | H13 | 0.1° | 0.3° |
| H7 | C21 | C22 | H8 | 58.0° | 43.6° |
| H7 | C21 | C22 | H9 | 176.2° | 163.4° |
| H8 | C22 | C23 | H18 | 142.4° | 42.5° |
| H8 | C22 | C23 | H19 | 23.2° | 162.2° |
| H9 | C22 | C23 | H18 | 24.2° | 77.3° |
| H9 | C22 | C23 | H19 | 95.0° | 42.4° |
| H11 | C11 | C12 | H12 | 0.0° | 0.0° |
