A1LZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| O2 | C1 | doub | 1.21Å | 1.26Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | sing | 1.34Å | 1.26Å | |
| C5 | C3 | doub | 1.36Å | 1.38Å | |
| C5 | C7 | sing | 1.46Å | 1.43Å | |
| C3 | C4 | sing | 1.41Å | 1.48Å | |
| C20 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.37Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.43Å | Aromatic |
| C4 | O3 | doub | 1.22Å | 1.40Å | |
| C4 | O4 | sing | 1.34Å | 1.35Å | |
| C19 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C8 | O4 | sing | 1.35Å | 1.40Å | |
| C8 | C9 | doub | 1.39Å | 1.36Å | Aromatic |
| BR1 | C17 | sing | 1.89Å | 1.94Å | |
| C11 | C9 | sing | 1.39Å | 1.36Å | Aromatic |
| C11 | O5 | sing | 1.36Å | 1.40Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C18 | C17 | doub | 1.38Å | 1.32Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.53Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.52Å | Aromatic |
| O5 | C12 | sing | 1.43Å | 1.40Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | doub | 1.38Å | 1.31Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.31Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.52Å | Aromatic |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C3 | 119.4° | 120.9° |
| C6 | C5 | C7 | 119.5° | 120.9° |
| C5 | C6 | H1 | 109.5° | 109.4° |
| C5 | C6 | H2 | 109.4° | 109.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| O2 | C1 | C2 | 119.7° | 120.0° |
| O2 | C1 | O1 | 119.9° | 120.0° |
| C1 | C2 | C3 | 112.4° | 109.5° |
| C2 | C1 | O1 | 120.4° | 120.0° |
| C1 | C2 | H15 | 108.7° | 109.5° |
| C1 | C2 | H16 | 108.7° | 109.5° |
| C2 | C3 | C5 | 118.8° | 120.1° |
| C2 | C3 | C4 | 122.4° | 120.1° |
| C3 | C2 | H15 | 108.7° | 109.5° |
| C3 | C2 | H16 | 108.8° | 109.5° |
| C1 | O1 | H17 | 109.5° | 117.0° |
| C3 | C5 | C7 | 121.1° | 118.2° |
| C5 | C3 | C4 | 118.8° | 119.8° |
| C5 | C7 | C20 | 125.9° | 121.0° |
| C5 | C7 | C8 | 118.8° | 119.0° |
| C3 | C4 | O3 | 120.9° | 119.2° |
| C3 | C4 | O4 | 119.2° | 121.7° |
| C7 | C20 | C19 | 120.7° | 119.8° |
| C20 | C7 | C8 | 115.3° | 120.0° |
| C7 | C20 | H8 | 119.7° | 120.1° |
| C20 | C19 | C11 | 120.2° | 120.4° |
| C19 | C20 | H8 | 119.7° | 120.1° |
| C20 | C19 | H14 | 119.9° | 119.7° |
| C7 | C8 | O4 | 119.4° | 119.9° |
| C7 | C8 | C9 | 123.1° | 119.4° |
| O3 | C4 | O4 | 119.8° | 119.1° |
| C4 | O4 | C8 | 122.6° | 121.4° |
| C19 | C11 | C9 | 121.2° | 120.6° |
| C19 | C11 | O5 | 118.4° | 119.7° |
| C11 | C19 | H14 | 119.9° | 119.8° |
| O4 | C8 | C9 | 117.5° | 120.7° |
| C8 | C9 | C11 | 119.5° | 119.8° |
| C8 | C9 | C10 | 120.5° | 120.1° |
| BR1 | C17 | C18 | 120.8° | 120.0° |
| BR1 | C17 | C16 | 118.9° | 120.0° |
| C9 | C11 | O5 | 120.4° | 119.7° |
| C11 | C9 | C10 | 120.0° | 120.1° |
| C11 | O5 | C12 | 113.2° | 117.0° |
| C9 | C10 | H4 | 109.5° | 109.5° |
| C9 | C10 | H5 | 109.4° | 109.5° |
| C9 | C10 | H6 | 109.5° | 109.5° |
| C17 | C18 | C13 | 119.7° | 120.0° |
| C18 | C17 | C16 | 120.3° | 120.0° |
| C17 | C18 | H13 | 120.1° | 120.0° |
| C18 | C13 | C12 | 121.7° | 120.0° |
| C18 | C13 | C14 | 119.8° | 120.0° |
| C13 | C18 | H13 | 120.2° | 120.0° |
| C17 | C16 | C15 | 119.9° | 120.0° |
| C17 | C16 | H12 | 120.0° | 120.0° |
| O5 | C12 | C13 | 112.1° | 109.5° |
| O5 | C12 | H9 | 108.8° | 109.5° |
| O5 | C12 | H10 | 108.8° | 109.5° |
| C12 | C13 | C14 | 118.5° | 120.0° |
| C13 | C12 | H9 | 108.8° | 109.4° |
| C13 | C12 | H10 | 108.8° | 109.4° |
| C13 | C14 | C15 | 120.3° | 120.0° |
| C13 | C14 | H11 | 119.8° | 119.9° |
| C16 | C15 | C14 | 119.9° | 120.0° |
| C16 | C15 | H7 | 120.0° | 120.0° |
| C15 | C16 | H12 | 120.0° | 120.0° |
| C14 | C15 | H7 | 120.0° | 120.0° |
| C15 | C14 | H11 | 119.8° | 120.0° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H1 | C6 | H3 | 109.4° | 109.4° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.4° | 109.4° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H15 | C2 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C3 | C2 | 0.4° | 0.0° |
| C6 | C5 | C3 | C7 | 179.9° | 180.0° |
| C6 | C5 | C3 | C4 | 180.0° | 180.0° |
| C6 | C5 | C7 | C20 | 0.4° | 0.0° |
| C6 | C5 | C7 | C8 | 179.9° | 179.7° |
| C5 | C6 | H1 | H2 | 120.0° | 120.0° |
| C5 | C6 | H1 | H3 | 120.0° | 120.0° |
| C5 | C6 | H2 | H3 | 120.0° | 120.0° |
| O2 | C1 | C2 | O1 | 179.7° | 179.9° |
| O2 | C1 | C2 | C3 | 145.8° | 0.0° |
| O2 | C1 | C2 | H15 | 93.8° | 120.1° |
| O2 | C1 | C2 | H16 | 25.3° | 120.0° |
| O2 | C1 | O1 | H17 | 0.0° | 0.1° |
| C1 | C2 | C3 | H15 | 120.4° | 120.0° |
| C1 | C2 | C3 | H16 | 120.4° | 120.1° |
| C1 | C2 | C3 | C5 | 131.3° | 94.4° |
| C1 | C2 | C3 | C4 | 49.2° | 85.6° |
| C1 | C2 | H15 | H16 | 118.6° | 120.0° |
| C2 | C1 | O1 | H17 | 179.7° | 180.0° |
| C3 | C2 | C1 | O1 | 34.6° | 180.0° |
| C2 | C3 | C5 | C4 | 179.5° | 180.0° |
| C2 | C3 | C5 | C7 | 179.7° | 179.9° |
| C2 | C3 | C4 | O3 | 0.1° | 0.0° |
| C2 | C3 | C4 | O4 | 179.4° | 179.7° |
| C3 | C2 | H15 | H16 | 118.7° | 120.0° |
| O1 | C1 | C2 | H15 | 85.9° | 60.0° |
| O1 | C1 | C2 | H16 | 155.0° | 59.9° |
| C3 | C5 | C7 | C20 | 179.5° | 180.0° |
| C3 | C5 | C7 | C8 | 0.2° | 0.2° |
| C5 | C3 | C4 | O3 | 179.5° | 180.0° |
| C5 | C3 | C4 | O4 | 0.1° | 0.3° |
| C3 | C5 | C6 | H1 | 180.0° | 86.9° |
| C3 | C5 | C6 | H2 | 60.0° | 153.1° |
| C3 | C5 | C6 | H3 | 60.0° | 33.1° |
| C5 | C3 | C2 | H15 | 10.9° | 25.6° |
| C5 | C3 | C2 | H16 | 108.2° | 145.5° |
| C7 | C5 | C3 | C4 | 0.1° | 0.0° |
| C5 | C7 | C20 | C8 | 179.7° | 179.7° |
| C5 | C7 | C20 | C19 | 179.8° | 179.9° |
| C5 | C7 | C8 | O4 | 0.0° | 0.3° |
| C5 | C7 | C8 | C9 | 180.0° | 180.0° |
| C7 | C5 | C6 | H1 | 0.1° | 93.2° |
| C7 | C5 | C6 | H2 | 119.9° | 26.9° |
| C7 | C5 | C6 | H3 | 120.1° | 146.9° |
| C5 | C7 | C20 | H8 | 0.2° | 0.0° |
| C3 | C4 | O3 | O4 | 179.4° | 179.7° |
| C3 | C4 | O4 | C8 | 0.3° | 0.2° |
| C4 | C3 | C2 | H15 | 169.6° | 154.4° |
| C4 | C3 | C2 | H16 | 71.3° | 34.5° |
| C7 | C20 | C19 | H8 | 180.0° | 179.9° |
| C7 | C20 | C19 | C11 | 0.4° | 0.1° |
| C20 | C7 | C8 | O4 | 179.8° | 180.0° |
| C20 | C7 | C8 | C9 | 0.2° | 0.3° |
| C7 | C20 | C19 | H14 | 179.6° | 180.0° |
| C19 | C20 | C7 | C8 | 0.5° | 0.4° |
| C20 | C19 | C11 | H14 | 180.0° | 179.9° |
| C20 | C19 | C11 | C9 | 0.0° | 0.2° |
| C20 | C19 | C11 | O5 | 179.6° | 179.9° |
| C7 | C8 | O4 | C4 | 0.3° | 0.1° |
| C7 | C8 | O4 | C9 | 180.0° | 179.7° |
| C7 | C8 | C9 | C11 | 0.1° | 0.0° |
| C7 | C8 | C9 | C10 | 179.8° | 180.0° |
| C8 | C7 | C20 | H8 | 179.5° | 179.7° |
| O3 | C4 | O4 | C8 | 179.7° | 180.0° |
| C4 | O4 | C8 | C9 | 179.7° | 179.7° |
| C19 | C11 | C9 | C8 | 0.2° | 0.3° |
| C19 | C11 | C9 | O5 | 179.7° | 179.7° |
| C19 | C11 | C9 | C10 | 179.9° | 179.7° |
| C19 | C11 | O5 | C12 | 78.0° | 0.3° |
| C11 | C19 | C20 | H8 | 179.6° | 180.0° |
| O4 | C8 | C9 | C11 | 179.9° | 179.7° |
| O4 | C8 | C9 | C10 | 0.2° | 0.4° |
| C8 | C9 | C11 | C10 | 179.7° | 180.0° |
| C8 | C9 | C11 | O5 | 179.9° | 179.9° |
| C8 | C9 | C10 | H4 | 90.2° | 90.0° |
| C8 | C9 | C10 | H5 | 149.8° | 150.0° |
| C8 | C9 | C10 | H6 | 29.9° | 30.1° |
| BR1 | C17 | C18 | C16 | 180.0° | 179.3° |
| BR1 | C17 | C18 | C13 | 179.9° | 179.8° |
| BR1 | C17 | C16 | C15 | 179.9° | 180.0° |
| BR1 | C17 | C16 | H12 | 0.1° | 0.7° |
| BR1 | C17 | C18 | H13 | 0.1° | 0.2° |
| C9 | C11 | O5 | C12 | 101.7° | 180.0° |
| C11 | C9 | C10 | H4 | 90.2° | 90.0° |
| C11 | C9 | C10 | H5 | 29.9° | 30.1° |
| C11 | C9 | C10 | H6 | 149.8° | 150.0° |
| C9 | C11 | C19 | H14 | 180.0° | 179.7° |
| O5 | C11 | C9 | C10 | 0.4° | 0.0° |
| C11 | O5 | C12 | C13 | 136.6° | 180.0° |
| C11 | O5 | C12 | H9 | 103.0° | 60.0° |
| C11 | O5 | C12 | H10 | 16.2° | 60.0° |
| O5 | C11 | C19 | H14 | 0.3° | 0.0° |
| C9 | C10 | H4 | H5 | 120.0° | 120.0° |
| C9 | C10 | H4 | H6 | 120.0° | 120.0° |
| C9 | C10 | H5 | H6 | 120.0° | 120.0° |
| C17 | C18 | C13 | H13 | 180.0° | 180.0° |
| C17 | C18 | C13 | C12 | 179.7° | 179.8° |
| C17 | C18 | C13 | C14 | 0.1° | 0.0° |
| C18 | C17 | C16 | C15 | 0.2° | 0.7° |
| C18 | C17 | C16 | H12 | 179.8° | 180.0° |
| C13 | C18 | C17 | C16 | 0.0° | 0.5° |
| C18 | C13 | C12 | O5 | 46.9° | 90.3° |
| C18 | C13 | C12 | C14 | 179.6° | 179.8° |
| C18 | C13 | C14 | C15 | 0.0° | 0.2° |
| C18 | C13 | C12 | H9 | 167.3° | 29.7° |
| C18 | C13 | C12 | H10 | 73.5° | 149.7° |
| C18 | C13 | C14 | H11 | 179.9° | 179.7° |
| C17 | C16 | C15 | H12 | 180.0° | 179.3° |
| C17 | C16 | C15 | C14 | 0.3° | 0.4° |
| C17 | C16 | C15 | H7 | 179.7° | 179.5° |
| C16 | C17 | C18 | H13 | 180.0° | 179.5° |
| O5 | C12 | C13 | H9 | 120.4° | 120.0° |
| O5 | C12 | C13 | H10 | 120.4° | 120.0° |
| O5 | C12 | C13 | C14 | 133.5° | 90.0° |
| O5 | C12 | H9 | H10 | 118.8° | 120.1° |
| C12 | C13 | C14 | C15 | 179.6° | 180.0° |
| C13 | C12 | H9 | H10 | 118.8° | 119.9° |
| C12 | C13 | C14 | H11 | 0.4° | 0.1° |
| C12 | C13 | C18 | H13 | 0.3° | 0.2° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C13 | C14 | C15 | H7 | 179.8° | 180.0° |
| C14 | C13 | C12 | H9 | 13.2° | 150.0° |
| C14 | C13 | C12 | H10 | 106.1° | 30.1° |
| C14 | C13 | C18 | H13 | 179.9° | 180.0° |
| C16 | C15 | C14 | H7 | 180.0° | 180.0° |
| C16 | C15 | C14 | H11 | 179.8° | 179.9° |
| C14 | C15 | C16 | H12 | 179.7° | 179.8° |
| H1 | C6 | H2 | H3 | 120.0° | 120.0° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H7 | C15 | C14 | H11 | 0.1° | 0.1° |
| H7 | C15 | C16 | H12 | 0.3° | 0.2° |
| H8 | C20 | C19 | H14 | 0.4° | 0.0° |
