A1LZX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | C07 | sing | 1.51Å | 1.53Å | |
| C01 | N21 | sing | 1.31Å | 1.32Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.41Å | 1.40Å | Aromatic |
| C03 | C08 | sing | 1.48Å | 1.52Å | |
| C04 | C05 | sing | 1.41Å | 1.40Å | Aromatic |
| C04 | C06 | sing | 1.41Å | 1.44Å | Aromatic |
| C05 | N21 | doub | 1.32Å | 1.34Å | Aromatic |
| C05 | N23 | sing | 1.37Å | 1.34Å | Aromatic |
| C06 | C09 | sing | 1.51Å | 1.53Å | |
| C06 | N22 | doub | 1.30Å | 1.31Å | Aromatic |
| C08 | O24 | doub | 1.21Å | 1.26Å | |
| C08 | O25 | sing | 1.35Å | 1.26Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C09 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | F20 | sing | 1.35Å | 1.36Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | N23 | sing | 1.40Å | 1.45Å | |
| N22 | N23 | sing | 1.40Å | 1.32Å | Aromatic |
| C26 | O27 | sing | 1.43Å | 1.40Å | |
| O27 | C28 | sing | 1.43Å | 1.40Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C07 | C26 | sing | 1.53Å | 1.53Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| O25 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C07 | 119.6° | 119.1° |
| C02 | C01 | N21 | 120.4° | 121.7° |
| C01 | C02 | C03 | 120.0° | 119.4° |
| C01 | C02 | H1 | 120.0° | 120.4° |
| C07 | C01 | N21 | 120.0° | 119.2° |
| C01 | C07 | C26 | 113.7° | 109.5° |
| C01 | C07 | H2 | 108.4° | 109.5° |
| C01 | C07 | H3 | 108.4° | 109.5° |
| C01 | N21 | C05 | 121.3° | 122.0° |
| C02 | C03 | C04 | 118.3° | 117.8° |
| C02 | C03 | C08 | 119.7° | 121.1° |
| C03 | C02 | H1 | 120.0° | 120.3° |
| C04 | C03 | C08 | 122.0° | 121.1° |
| C03 | C04 | C05 | 118.3° | 118.9° |
| C03 | C04 | C06 | 137.4° | 134.0° |
| C03 | C08 | O24 | 121.2° | 120.0° |
| C03 | C08 | O25 | 118.3° | 120.0° |
| C05 | C04 | C06 | 104.3° | 107.1° |
| C04 | C05 | N21 | 121.6° | 120.2° |
| C04 | C05 | N23 | 107.1° | 106.3° |
| C04 | C06 | C09 | 127.1° | 125.7° |
| C04 | C06 | N22 | 107.9° | 108.7° |
| N21 | C05 | N23 | 131.3° | 133.4° |
| C05 | N23 | C19 | 127.0° | 126.0° |
| C05 | N23 | N22 | 110.9° | 108.1° |
| C09 | C06 | N22 | 125.0° | 125.6° |
| C06 | C09 | C10 | 113.2° | 109.5° |
| C06 | C09 | C11 | 113.0° | 109.5° |
| C06 | C09 | H4 | 106.1° | 109.4° |
| C06 | N22 | N23 | 109.9° | 109.8° |
| O24 | C08 | O25 | 120.5° | 120.0° |
| C08 | O25 | H26 | 109.5° | 117.0° |
| C10 | C09 | C11 | 111.7° | 109.5° |
| C09 | C10 | C12 | 113.5° | 109.5° |
| C10 | C09 | H4 | 106.1° | 109.5° |
| C09 | C10 | H5 | 108.4° | 109.5° |
| C09 | C10 | H6 | 108.4° | 109.5° |
| C09 | C11 | C13 | 110.5° | 109.5° |
| C11 | C09 | H4 | 106.1° | 109.5° |
| C09 | C11 | H7 | 109.2° | 109.5° |
| C09 | C11 | H8 | 109.2° | 109.5° |
| C12 | C10 | H5 | 108.5° | 109.5° |
| C12 | C10 | H6 | 108.5° | 109.5° |
| C10 | C12 | H9 | 109.5° | 109.5° |
| C10 | C12 | H10 | 109.5° | 109.4° |
| C10 | C12 | H11 | 109.4° | 109.5° |
| C13 | C11 | H7 | 109.2° | 109.4° |
| C13 | C11 | H8 | 109.2° | 109.5° |
| C11 | C13 | H12 | 109.5° | 109.5° |
| C11 | C13 | H13 | 109.5° | 109.4° |
| C11 | C13 | H14 | 109.5° | 109.4° |
| C15 | C14 | C19 | 120.6° | 120.0° |
| C14 | C15 | C16 | 119.6° | 120.0° |
| C15 | C14 | H15 | 119.7° | 120.0° |
| C14 | C15 | H16 | 120.2° | 120.0° |
| C14 | C19 | C18 | 120.0° | 119.9° |
| C14 | C19 | N23 | 116.8° | 120.1° |
| C19 | C14 | H15 | 119.7° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.1° |
| C15 | C16 | F20 | 119.2° | 120.0° |
| C16 | C15 | H16 | 120.2° | 120.0° |
| C17 | C16 | F20 | 120.6° | 119.9° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C16 | C17 | H17 | 119.9° | 119.9° |
| C17 | C18 | C19 | 119.5° | 119.9° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C17 | C18 | H18 | 120.3° | 120.0° |
| C18 | C19 | N23 | 123.2° | 120.0° |
| C19 | C18 | H18 | 120.2° | 120.0° |
| C19 | N23 | N22 | 122.1° | 125.9° |
| C26 | O27 | C28 | 113.8° | 114.0° |
| O27 | C26 | C07 | 107.8° | 109.5° |
| O27 | C26 | H19 | 109.9° | 109.4° |
| O27 | C26 | H20 | 109.9° | 109.5° |
| O27 | C28 | C29 | 108.9° | 109.5° |
| O27 | C28 | H21 | 109.6° | 109.5° |
| O27 | C28 | H22 | 109.6° | 109.4° |
| C29 | C28 | H21 | 109.6° | 109.5° |
| C29 | C28 | H22 | 109.6° | 109.5° |
| C28 | C29 | H23 | 109.5° | 109.5° |
| C28 | C29 | H24 | 109.4° | 109.5° |
| C28 | C29 | H25 | 109.5° | 109.5° |
| C26 | C07 | H2 | 108.4° | 109.4° |
| C26 | C07 | H3 | 108.4° | 109.5° |
| C07 | C26 | H19 | 109.9° | 109.4° |
| C07 | C26 | H20 | 109.9° | 109.5° |
| H2 | C07 | H3 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.4° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.4° | 109.4° |
| H9 | C12 | H11 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.4° | 109.5° |
| H12 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.4° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.4° |
| H23 | C29 | H25 | 109.5° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C07 | N21 | 179.5° | 179.8° |
| C01 | C02 | C03 | H1 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.1° | 0.1° |
| C01 | C02 | C03 | C08 | 179.4° | 180.0° |
| C02 | C01 | N21 | C05 | 0.1° | 0.5° |
| C02 | C01 | C07 | C26 | 130.0° | 125.0° |
| C02 | C01 | C07 | H2 | 109.4° | 115.0° |
| C02 | C01 | C07 | H3 | 9.4° | 5.0° |
| C07 | C01 | C02 | C03 | 179.5° | 180.0° |
| C07 | C01 | N21 | C05 | 179.5° | 179.7° |
| C01 | C07 | C26 | O27 | 82.7° | 180.0° |
| C01 | C07 | C26 | H2 | 120.6° | 120.0° |
| C01 | C07 | C26 | H3 | 120.6° | 120.0° |
| C07 | C01 | C02 | H1 | 0.5° | 0.0° |
| C01 | C07 | H2 | H3 | 118.0° | 120.0° |
| C01 | C07 | C26 | H19 | 157.6° | 60.0° |
| C01 | C07 | C26 | H20 | 37.1° | 60.0° |
| N21 | C01 | C02 | C03 | 0.0° | 0.2° |
| C01 | N21 | C05 | C04 | 0.1° | 0.5° |
| C01 | N21 | C05 | N23 | 179.9° | 179.8° |
| N21 | C01 | C07 | C26 | 50.5° | 54.7° |
| N21 | C01 | C02 | H1 | 180.0° | 179.7° |
| N21 | C01 | C07 | H2 | 70.1° | 65.2° |
| N21 | C01 | C07 | H3 | 171.1° | 174.7° |
| C02 | C03 | C04 | C08 | 179.3° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.1° |
| C02 | C03 | C04 | C06 | 179.4° | 180.0° |
| C02 | C03 | C08 | O24 | 117.9° | 124.2° |
| C02 | C03 | C08 | O25 | 62.5° | 55.8° |
| C03 | C04 | C05 | C06 | 179.6° | 180.0° |
| C03 | C04 | C05 | N21 | 0.0° | 0.2° |
| C03 | C04 | C05 | N23 | 179.8° | 180.0° |
| C03 | C04 | C06 | C09 | 1.0° | 0.1° |
| C03 | C04 | C06 | N22 | 179.8° | 179.9° |
| C04 | C03 | C08 | O24 | 62.8° | 55.8° |
| C04 | C03 | C08 | O25 | 116.8° | 124.2° |
| C04 | C03 | C02 | H1 | 179.9° | 180.0° |
| C08 | C03 | C04 | C05 | 179.4° | 180.0° |
| C08 | C03 | C04 | C06 | 0.1° | 0.0° |
| C03 | C08 | O24 | O25 | 179.6° | 180.0° |
| C08 | C03 | C02 | H1 | 0.6° | 0.0° |
| C03 | C08 | O25 | H26 | 179.6° | 180.0° |
| C04 | C05 | N21 | N23 | 179.8° | 179.7° |
| C05 | C04 | C06 | C09 | 179.5° | 180.0° |
| C05 | C04 | C06 | N22 | 0.2° | 0.0° |
| C04 | C05 | N23 | C19 | 178.6° | 180.0° |
| C04 | C05 | N23 | N22 | 0.6° | 0.0° |
| C06 | C04 | C05 | N21 | 179.7° | 179.7° |
| C06 | C04 | C05 | N23 | 0.5° | 0.0° |
| C04 | C06 | C09 | N22 | 179.1° | 180.0° |
| C04 | C06 | C09 | C10 | 146.4° | 119.8° |
| C04 | C06 | C09 | C11 | 85.5° | 120.1° |
| C04 | C06 | N22 | N23 | 0.2° | 0.0° |
| C04 | C06 | C09 | H4 | 30.4° | 0.2° |
| N21 | C05 | N23 | C19 | 1.6° | 0.3° |
| N21 | C05 | N23 | N22 | 179.6° | 179.7° |
| C05 | N23 | N22 | C06 | 0.5° | 0.0° |
| C05 | N23 | C19 | C14 | 149.3° | 145.0° |
| C05 | N23 | C19 | C18 | 29.2° | 35.0° |
| C05 | N23 | C19 | N22 | 177.8° | 180.0° |
| C06 | C09 | C10 | C11 | 128.9° | 120.0° |
| C06 | C09 | C10 | H4 | 115.9° | 120.0° |
| C06 | C09 | C11 | H4 | 115.9° | 119.9° |
| C06 | C09 | C10 | C12 | 53.1° | 65.1° |
| C06 | C09 | C11 | C13 | 150.9° | 66.2° |
| C09 | C06 | N22 | N23 | 179.1° | 180.0° |
| C06 | C09 | C10 | H5 | 67.5° | 55.0° |
| C06 | C09 | C10 | H6 | 173.7° | 174.9° |
| C06 | C09 | C11 | H7 | 89.0° | 173.8° |
| C06 | C09 | C11 | H8 | 30.7° | 53.7° |
| N22 | C06 | C09 | C10 | 32.7° | 60.2° |
| N22 | C06 | C09 | C11 | 95.4° | 59.9° |
| C06 | N22 | N23 | C19 | 178.6° | 180.0° |
| N22 | C06 | C09 | H4 | 148.7° | 179.8° |
| O24 | C08 | O25 | H26 | 0.0° | 0.0° |
| C10 | C09 | C11 | H4 | 115.2° | 120.1° |
| C09 | C10 | C12 | H5 | 120.6° | 120.1° |
| C09 | C10 | C12 | H6 | 120.6° | 120.0° |
| C10 | C09 | C11 | C13 | 80.2° | 173.7° |
| C09 | C10 | H5 | H6 | 118.1° | 120.0° |
| C10 | C09 | C11 | H7 | 40.0° | 53.8° |
| C10 | C09 | C11 | H8 | 159.7° | 66.3° |
| C09 | C10 | C12 | H9 | 180.0° | 55.2° |
| C09 | C10 | C12 | H10 | 60.0° | 64.7° |
| C09 | C10 | C12 | H11 | 60.0° | 175.3° |
| C11 | C09 | C10 | C12 | 178.0° | 174.9° |
| C09 | C11 | C13 | H7 | 120.1° | 120.0° |
| C09 | C11 | C13 | H8 | 120.2° | 120.0° |
| C11 | C09 | C10 | H5 | 61.4° | 65.0° |
| C11 | C09 | C10 | H6 | 57.4° | 54.9° |
| C09 | C11 | H7 | H8 | 119.5° | 120.0° |
| C09 | C11 | C13 | H12 | 180.0° | 64.2° |
| C09 | C11 | C13 | H13 | 60.0° | 175.8° |
| C09 | C11 | C13 | H14 | 60.0° | 55.8° |
| C12 | C10 | C09 | H4 | 62.8° | 54.9° |
| C12 | C10 | H5 | H6 | 118.2° | 119.9° |
| C10 | C12 | H9 | H10 | 120.0° | 119.9° |
| C10 | C12 | H9 | H11 | 120.0° | 120.1° |
| C10 | C12 | H10 | H11 | 120.0° | 120.0° |
| C13 | C11 | C09 | H4 | 35.0° | 53.7° |
| C13 | C11 | H7 | H8 | 119.5° | 120.0° |
| C11 | C13 | H12 | H13 | 120.0° | 120.0° |
| C11 | C13 | H12 | H14 | 120.0° | 120.0° |
| C11 | C13 | H13 | H14 | 120.0° | 120.0° |
| C15 | C14 | C19 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | H16 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | F20 | 180.0° | 180.0° |
| C15 | C14 | C19 | C18 | 1.0° | 0.0° |
| C15 | C14 | C19 | N23 | 179.6° | 180.0° |
| C19 | C14 | C15 | C16 | 0.5° | 0.0° |
| C14 | C19 | C18 | C17 | 0.9° | 0.1° |
| C14 | C19 | C18 | N23 | 178.5° | 180.0° |
| C14 | C19 | N23 | N22 | 28.4° | 34.9° |
| C19 | C14 | C15 | H16 | 179.5° | 179.9° |
| C14 | C19 | C18 | H18 | 179.1° | 179.9° |
| C15 | C16 | C17 | F20 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.1° |
| C16 | C15 | C14 | H15 | 179.5° | 179.8° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.3° | 0.1° |
| C17 | C16 | C15 | H16 | 179.9° | 179.9° |
| C16 | C17 | C18 | H18 | 179.7° | 179.9° |
| F20 | C16 | C17 | C18 | 179.9° | 179.9° |
| F20 | C16 | C15 | H16 | 0.0° | 0.1° |
| F20 | C16 | C17 | H17 | 0.1° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | N23 | 179.4° | 179.9° |
| C18 | C19 | N23 | N22 | 153.0° | 145.0° |
| C18 | C19 | C14 | H15 | 179.0° | 179.7° |
| C19 | C18 | C17 | H17 | 179.7° | 180.0° |
| N23 | C19 | C14 | H15 | 0.4° | 0.2° |
| N23 | C19 | C18 | H18 | 0.6° | 0.1° |
| C26 | O27 | C28 | C29 | 63.7° | 180.0° |
| O27 | C26 | C07 | H19 | 119.8° | 120.0° |
| O27 | C26 | C07 | H20 | 119.8° | 120.0° |
| O27 | C26 | C07 | H2 | 156.7° | 60.0° |
| O27 | C26 | C07 | H3 | 38.0° | 60.0° |
| O27 | C26 | H19 | H20 | 120.8° | 120.0° |
| C26 | O27 | C28 | H21 | 176.4° | 59.9° |
| C26 | O27 | C28 | H22 | 56.2° | 60.1° |
| O27 | C28 | C29 | H21 | 119.9° | 120.1° |
| O27 | C28 | C29 | H22 | 119.9° | 119.9° |
| C28 | O27 | C26 | C07 | 171.6° | 180.0° |
| C28 | O27 | C26 | H19 | 51.8° | 60.1° |
| C28 | O27 | C26 | H20 | 68.6° | 59.9° |
| O27 | C28 | H21 | H22 | 120.3° | 120.0° |
| O27 | C28 | C29 | H23 | 180.0° | 60.0° |
| O27 | C28 | C29 | H24 | 60.0° | 59.9° |
| O27 | C28 | C29 | H25 | 60.0° | 179.9° |
| C29 | C28 | H21 | H22 | 120.3° | 120.0° |
| C28 | C29 | H23 | H24 | 120.0° | 120.0° |
| C28 | C29 | H23 | H25 | 120.0° | 120.0° |
| C28 | C29 | H24 | H25 | 120.0° | 120.0° |
| C26 | C07 | H2 | H3 | 118.1° | 120.0° |
| C07 | C26 | H19 | H20 | 120.7° | 120.0° |
| H2 | C07 | C26 | H19 | 36.9° | 180.0° |
| H2 | C07 | C26 | H20 | 83.5° | 60.0° |
| H3 | C07 | C26 | H19 | 81.8° | 60.0° |
| H3 | C07 | C26 | H20 | 157.7° | 180.0° |
| H4 | C09 | C10 | H5 | 176.6° | 174.9° |
| H4 | C09 | C10 | H6 | 57.8° | 65.1° |
| H4 | C09 | C11 | H7 | 155.2° | 66.3° |
| H4 | C09 | C11 | H8 | 85.1° | 173.7° |
| H5 | C10 | C12 | H9 | 59.4° | 175.3° |
| H5 | C10 | C12 | H10 | 179.4° | 55.3° |
| H5 | C10 | C12 | H11 | 60.6° | 64.7° |
| H6 | C10 | C12 | H9 | 59.4° | 64.8° |
| H6 | C10 | C12 | H10 | 60.6° | 175.2° |
| H6 | C10 | C12 | H11 | 179.4° | 55.2° |
| H7 | C11 | C13 | H12 | 59.9° | 55.8° |
| H7 | C11 | C13 | H13 | 179.9° | 64.2° |
| H7 | C11 | C13 | H14 | 60.1° | 175.9° |
| H8 | C11 | C13 | H12 | 59.8° | 175.8° |
| H8 | C11 | C13 | H13 | 60.2° | 55.8° |
| H8 | C11 | C13 | H14 | 179.8° | 64.1° |
| H9 | C12 | H10 | H11 | 120.0° | 120.0° |
| H12 | C13 | H13 | H14 | 120.0° | 120.0° |
| H15 | C14 | C15 | H16 | 0.5° | 0.3° |
| H17 | C17 | C18 | H18 | 0.3° | 0.2° |
| H21 | C28 | C29 | H23 | 60.1° | 60.0° |
| H21 | C28 | C29 | H24 | 179.9° | 180.0° |
| H21 | C28 | C29 | H25 | 59.9° | 60.0° |
| H22 | C28 | C29 | H23 | 60.1° | 180.0° |
| H22 | C28 | C29 | H24 | 59.9° | 60.0° |
| H22 | C28 | C29 | H25 | 179.9° | 60.0° |
| H23 | C29 | H24 | H25 | 120.0° | 120.0° |
