A1L1Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C3 | sing | 1.36Å | 1.36Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | O2 | sing | 1.34Å | 1.37Å | |
| C7 | C8 | doub | 1.36Å | 1.36Å | |
| O2 | C11 | sing | 1.35Å | 1.37Å | |
| O5 | C12 | sing | 1.36Å | 1.36Å | |
| O6 | C8 | sing | 1.36Å | 1.36Å | |
| C8 | C9 | sing | 1.42Å | 1.44Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.46Å | |
| C9 | O1 | doub | 1.22Å | 1.26Å | |
| C10 | C15 | doub | 1.40Å | 1.43Å | Aromatic |
| C13 | O4 | sing | 1.36Å | 1.35Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | O3 | sing | 1.36Å | 1.35Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| O5 | H8 | sing | 0.97Å | 0.95Å | |
| O6 | H9 | sing | 0.97Å | 0.95Å | |
| O7 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C3 | C2 | 117.0° | 119.9° |
| O7 | C3 | C4 | 123.1° | 119.9° |
| C3 | O7 | H10 | 109.5° | 114.0° |
| C2 | C3 | C4 | 119.9° | 120.2° |
| C3 | C2 | C1 | 120.0° | 120.1° |
| C3 | C2 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.1° |
| C3 | C4 | H1 | 120.1° | 120.0° |
| C2 | C1 | C6 | 120.6° | 119.9° |
| C2 | C1 | H3 | 119.7° | 120.0° |
| C1 | C2 | H4 | 120.0° | 119.9° |
| C4 | C5 | C6 | 120.7° | 119.9° |
| C5 | C4 | H1 | 120.0° | 119.9° |
| C4 | C5 | H2 | 119.6° | 120.0° |
| C1 | C6 | C5 | 118.9° | 119.8° |
| C1 | C6 | C7 | 120.2° | 120.1° |
| C6 | C1 | H3 | 119.7° | 120.1° |
| C5 | C6 | C7 | 120.9° | 120.1° |
| C6 | C5 | H2 | 119.7° | 120.1° |
| C6 | C7 | O2 | 114.1° | 118.8° |
| C6 | C7 | C8 | 125.1° | 118.8° |
| O2 | C7 | C8 | 120.8° | 122.4° |
| C7 | O2 | C11 | 121.2° | 122.3° |
| C7 | C8 | O6 | 120.5° | 120.2° |
| C7 | C8 | C9 | 121.5° | 119.5° |
| O2 | C11 | C12 | 117.1° | 120.8° |
| O2 | C11 | C10 | 121.4° | 119.9° |
| O5 | C12 | C11 | 118.6° | 120.0° |
| O5 | C12 | C13 | 122.4° | 120.0° |
| C12 | O5 | H8 | 109.5° | 114.0° |
| O6 | C8 | C9 | 118.0° | 120.3° |
| C8 | O6 | H9 | 109.5° | 114.0° |
| C8 | C9 | C10 | 116.5° | 117.4° |
| C8 | C9 | O1 | 120.1° | 121.3° |
| C12 | C11 | C10 | 121.4° | 119.4° |
| C11 | C12 | C13 | 119.0° | 120.0° |
| C11 | C10 | C9 | 118.7° | 118.5° |
| C11 | C10 | C15 | 118.1° | 120.2° |
| C12 | C13 | O4 | 119.9° | 119.7° |
| C12 | C13 | C14 | 120.9° | 120.6° |
| C10 | C9 | O1 | 123.4° | 121.3° |
| C9 | C10 | C15 | 123.2° | 121.3° |
| C10 | C15 | C14 | 120.7° | 119.6° |
| C10 | C15 | O3 | 120.8° | 120.2° |
| O4 | C13 | C14 | 119.2° | 119.7° |
| C13 | O4 | H7 | 109.5° | 114.0° |
| C13 | C14 | C15 | 119.9° | 120.2° |
| C13 | C14 | H5 | 120.0° | 119.9° |
| C14 | C15 | O3 | 118.5° | 120.1° |
| C15 | C14 | H5 | 120.1° | 119.9° |
| C15 | O3 | H6 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C3 | C2 | C4 | 178.8° | 179.5° |
| O7 | C3 | C2 | C1 | 179.8° | 179.9° |
| O7 | C3 | C4 | C5 | 178.6° | 180.0° |
| O7 | C3 | C4 | H1 | 1.4° | 0.2° |
| O7 | C3 | C2 | H4 | 0.3° | 0.2° |
| C3 | C2 | C1 | H4 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.1° | 0.5° |
| C3 | C2 | C1 | C6 | 1.0° | 0.3° |
| C2 | C3 | C4 | H1 | 179.9° | 179.7° |
| C3 | C2 | C1 | H3 | 179.0° | 179.8° |
| C2 | C3 | O7 | H10 | 180.0° | 90.0° |
| C4 | C3 | C2 | C1 | 0.9° | 0.5° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 1.1° | 0.3° |
| C3 | C4 | C5 | H2 | 178.9° | 179.8° |
| C4 | C3 | C2 | H4 | 179.1° | 179.8° |
| C4 | C3 | O7 | H10 | 1.2° | 90.5° |
| C2 | C1 | C6 | H3 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.0° | 0.1° |
| C2 | C1 | C6 | C7 | 178.1° | 180.0° |
| C4 | C5 | C6 | C1 | 1.0° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.1° | 179.9° |
| C1 | C6 | C5 | C7 | 178.1° | 179.9° |
| C1 | C6 | C7 | O2 | 51.7° | 47.3° |
| C1 | C6 | C7 | C8 | 130.5° | 132.5° |
| C1 | C6 | C5 | H2 | 179.0° | 180.0° |
| C6 | C1 | C2 | H4 | 179.0° | 180.0° |
| C5 | C6 | C7 | O2 | 126.3° | 132.8° |
| C5 | C6 | C7 | C8 | 51.4° | 47.4° |
| C6 | C5 | C4 | H1 | 178.9° | 180.0° |
| C5 | C6 | C1 | H3 | 179.9° | 180.0° |
| C6 | C7 | O2 | C8 | 177.9° | 179.7° |
| C6 | C7 | O2 | C11 | 178.7° | 180.0° |
| C6 | C7 | C8 | O6 | 2.1° | 0.0° |
| C6 | C7 | C8 | C9 | 178.9° | 180.0° |
| C7 | C6 | C5 | H2 | 0.9° | 0.1° |
| C7 | C6 | C1 | H3 | 1.9° | 0.1° |
| O2 | C7 | C8 | O6 | 179.8° | 179.7° |
| O2 | C7 | C8 | C9 | 1.3° | 0.3° |
| C7 | O2 | C11 | C12 | 179.9° | 180.0° |
| C7 | O2 | C11 | C10 | 0.0° | 0.0° |
| C8 | C7 | O2 | C11 | 0.8° | 0.3° |
| C7 | C8 | O6 | C9 | 178.9° | 180.0° |
| C7 | C8 | C9 | C10 | 1.1° | 0.0° |
| C7 | C8 | C9 | O1 | 179.3° | 179.9° |
| C7 | C8 | O6 | H9 | 179.2° | 180.0° |
| O2 | C11 | C12 | O5 | 0.6° | 0.0° |
| O2 | C11 | C12 | C10 | 179.9° | 180.0° |
| O2 | C11 | C12 | C13 | 180.0° | 180.0° |
| O2 | C11 | C10 | C9 | 0.1° | 0.3° |
| O2 | C11 | C10 | C15 | 179.5° | 180.0° |
| O5 | C12 | C11 | C13 | 179.4° | 180.0° |
| O5 | C12 | C11 | C10 | 179.5° | 180.0° |
| O5 | C12 | C13 | O4 | 0.6° | 0.2° |
| O5 | C12 | C13 | C14 | 179.7° | 179.8° |
| O6 | C8 | C9 | C10 | 180.0° | 180.0° |
| O6 | C8 | C9 | O1 | 0.4° | 0.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.3° |
| C8 | C9 | C10 | O1 | 179.6° | 180.0° |
| C8 | C9 | C10 | C15 | 180.0° | 180.0° |
| C9 | C8 | O6 | H9 | 0.2° | 0.0° |
| C12 | C11 | C10 | C9 | 180.0° | 179.7° |
| C12 | C11 | C10 | C15 | 0.3° | 0.0° |
| C11 | C12 | C13 | O4 | 180.0° | 179.8° |
| C11 | C12 | C13 | C14 | 0.4° | 0.2° |
| C11 | C12 | O5 | H8 | 180.0° | 90.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C9 | C15 | 179.7° | 179.7° |
| C11 | C10 | C9 | O1 | 179.9° | 179.8° |
| C11 | C10 | C15 | C14 | 0.5° | 0.3° |
| C11 | C10 | C15 | O3 | 179.8° | 179.7° |
| C12 | C13 | O4 | C14 | 179.6° | 179.5° |
| C12 | C13 | C14 | C15 | 0.2° | 0.5° |
| C12 | C13 | C14 | H5 | 179.8° | 180.0° |
| C12 | C13 | O4 | H7 | 180.0° | 90.5° |
| C13 | C12 | O5 | H8 | 0.6° | 90.0° |
| C9 | C10 | C15 | C14 | 179.8° | 180.0° |
| C9 | C10 | C15 | O3 | 0.2° | 0.0° |
| O1 | C9 | C10 | C15 | 0.4° | 0.1° |
| C10 | C15 | C14 | C13 | 0.2° | 0.5° |
| C10 | C15 | C14 | O3 | 179.7° | 180.0° |
| C10 | C15 | C14 | H5 | 179.8° | 180.0° |
| C10 | C15 | O3 | H6 | 0.0° | 90.0° |
| O4 | C13 | C14 | C15 | 179.8° | 180.0° |
| O4 | C13 | C14 | H5 | 0.1° | 0.5° |
| C13 | C14 | C15 | H5 | 180.0° | 179.5° |
| C13 | C14 | C15 | O3 | 179.9° | 179.5° |
| C14 | C13 | O4 | H7 | 0.4° | 89.9° |
| C14 | C15 | O3 | H6 | 179.7° | 90.0° |
| O3 | C15 | C14 | H5 | 0.1° | 0.0° |
| H1 | C4 | C5 | H2 | 1.2° | 0.0° |
| H3 | C1 | C2 | H4 | 1.0° | 0.0° |
