A1L5R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C12 | sing | 1.36Å | 1.39Å | |
| O4 | C13 | sing | 1.36Å | 1.37Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| O3 | C11 | sing | 1.36Å | 1.37Å | |
| O3 | C16 | sing | 1.43Å | 1.46Å | |
| C11 | C10 | doub | 1.41Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C3 | sing | 1.47Å | 1.48Å | |
| C3 | C2 | doub | 1.35Å | 1.34Å | |
| C2 | C1 | sing | 1.42Å | 1.48Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C1 | C4 | sing | 1.48Å | 1.51Å | |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | O2 | sing | 1.36Å | 1.36Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| O5 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C12 | C13 | 116.2° | 120.0° |
| O5 | C12 | C11 | 125.1° | 120.0° |
| C12 | O5 | H14 | 109.5° | 114.0° |
| O4 | C13 | C12 | 118.1° | 119.8° |
| O4 | C13 | C14 | 121.2° | 119.8° |
| C13 | O4 | H13 | 109.5° | 114.0° |
| C13 | C12 | C11 | 118.6° | 120.0° |
| C12 | C13 | C14 | 120.7° | 120.3° |
| C12 | C11 | O3 | 120.8° | 120.1° |
| C12 | C11 | C10 | 121.1° | 119.7° |
| C13 | C14 | C15 | 119.2° | 120.3° |
| C13 | C14 | H8 | 120.4° | 119.9° |
| C11 | O3 | C16 | 118.3° | 117.0° |
| O3 | C11 | C10 | 118.0° | 120.2° |
| O3 | C16 | H11 | 109.5° | 109.5° |
| O3 | C16 | H12 | 109.5° | 109.5° |
| O3 | C16 | H10 | 109.5° | 109.5° |
| C11 | C10 | C15 | 116.0° | 119.7° |
| C11 | C10 | C3 | 118.4° | 120.1° |
| C14 | C15 | C10 | 123.7° | 120.0° |
| C15 | C14 | H8 | 120.4° | 119.8° |
| C14 | C15 | H9 | 118.1° | 120.0° |
| C15 | C10 | C3 | 125.0° | 120.2° |
| C10 | C15 | H9 | 118.2° | 120.0° |
| C10 | C3 | C2 | 133.3° | 120.0° |
| C10 | C3 | H2 | 113.4° | 120.0° |
| C3 | C2 | C1 | 129.5° | 120.0° |
| C3 | C2 | H1 | 115.3° | 120.1° |
| C2 | C3 | H2 | 113.3° | 119.9° |
| C2 | C1 | O1 | 120.0° | 120.0° |
| C2 | C1 | C4 | 120.2° | 120.0° |
| C1 | C2 | H1 | 115.3° | 120.0° |
| O1 | C1 | C4 | 115.1° | 120.0° |
| C1 | C4 | C5 | 127.3° | 120.1° |
| C1 | C4 | C9 | 114.8° | 120.1° |
| C5 | C4 | C9 | 117.7° | 119.8° |
| C4 | C5 | C6 | 121.3° | 119.9° |
| C4 | C5 | H3 | 119.3° | 120.0° |
| C4 | C9 | C8 | 121.3° | 119.9° |
| C4 | C9 | H6 | 119.4° | 120.0° |
| C5 | C6 | C7 | 119.4° | 120.1° |
| C6 | C5 | H3 | 119.4° | 120.1° |
| C5 | C6 | H4 | 120.3° | 120.0° |
| C9 | C8 | C7 | 120.1° | 120.1° |
| C9 | C8 | H5 | 119.9° | 119.9° |
| C8 | C9 | H6 | 119.4° | 120.1° |
| C6 | C7 | C8 | 120.1° | 120.2° |
| C6 | C7 | O2 | 126.6° | 119.9° |
| C7 | C6 | H4 | 120.3° | 119.9° |
| C8 | C7 | O2 | 113.3° | 119.9° |
| C7 | C8 | H5 | 120.0° | 119.9° |
| C7 | O2 | H7 | 109.5° | 114.0° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H10 | 109.5° | 109.5° |
| H12 | C16 | H10 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C12 | C13 | O4 | 5.4° | 0.1° |
| O5 | C12 | C13 | C11 | 179.4° | 179.9° |
| O5 | C12 | C13 | C14 | 176.9° | 179.9° |
| O5 | C12 | C11 | O3 | 2.9° | 0.1° |
| O5 | C12 | C11 | C10 | 172.0° | 180.0° |
| O4 | C13 | C12 | C14 | 177.7° | 180.0° |
| O4 | C13 | C12 | C11 | 175.2° | 180.0° |
| O4 | C13 | C14 | C15 | 176.9° | 180.0° |
| O4 | C13 | C14 | H8 | 3.1° | 0.0° |
| C13 | C12 | C11 | O3 | 177.8° | 179.9° |
| C13 | C12 | C11 | C10 | 7.3° | 0.1° |
| C12 | C13 | C14 | C15 | 0.8° | 0.0° |
| C12 | C13 | C14 | H8 | 179.2° | 180.0° |
| C12 | C13 | O4 | H13 | 180.0° | 89.9° |
| C13 | C12 | O5 | H14 | 180.0° | 90.0° |
| C11 | C12 | C13 | C14 | 2.5° | 0.0° |
| C12 | C11 | O3 | C10 | 175.1° | 180.0° |
| C12 | C11 | O3 | C16 | 125.9° | 90.0° |
| C12 | C11 | C10 | C15 | 10.0° | 0.1° |
| C12 | C11 | C10 | C3 | 178.5° | 179.7° |
| C11 | C12 | O5 | H14 | 0.6° | 89.9° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 3.9° | 0.0° |
| C13 | C14 | C15 | H9 | 176.1° | 179.7° |
| C14 | C13 | O4 | H13 | 2.3° | 90.1° |
| O3 | C11 | C10 | C15 | 175.0° | 180.0° |
| O3 | C11 | C10 | C3 | 3.5° | 0.3° |
| C11 | O3 | C16 | H11 | 180.0° | 60.0° |
| C11 | O3 | C16 | H12 | 60.0° | 60.1° |
| C11 | O3 | C16 | H10 | 60.0° | 180.0° |
| C16 | O3 | C11 | C10 | 59.0° | 90.0° |
| O3 | C16 | H11 | H12 | 120.0° | 120.0° |
| O3 | C16 | H11 | H10 | 120.0° | 120.0° |
| O3 | C16 | H12 | H10 | 120.0° | 120.0° |
| C11 | C10 | C15 | C14 | 8.4° | 0.0° |
| C11 | C10 | C15 | C3 | 170.8° | 179.8° |
| C11 | C10 | C3 | C2 | 172.9° | 130.7° |
| C11 | C10 | C3 | H2 | 7.1° | 49.3° |
| C11 | C10 | C15 | H9 | 171.6° | 179.8° |
| C14 | C15 | C10 | H9 | 180.0° | 179.7° |
| C14 | C15 | C10 | C3 | 179.3° | 179.8° |
| C15 | C10 | C3 | C2 | 16.4° | 49.1° |
| C15 | C10 | C3 | H2 | 163.6° | 131.0° |
| C10 | C15 | C14 | H8 | 176.0° | 180.0° |
| C10 | C3 | C2 | H2 | 180.0° | 180.0° |
| C10 | C3 | C2 | C1 | 57.8° | 10.5° |
| C10 | C3 | C2 | H1 | 122.2° | 169.5° |
| C3 | C10 | C15 | H9 | 0.8° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | O1 | 101.4° | 6.3° |
| C3 | C2 | C1 | C4 | 104.1° | 174.1° |
| C2 | C1 | O1 | C4 | 155.8° | 179.6° |
| C2 | C1 | C4 | C5 | 3.2° | 179.7° |
| C2 | C1 | C4 | C9 | 178.4° | 0.0° |
| C1 | C2 | C3 | H2 | 122.2° | 169.5° |
| O1 | C1 | C4 | C5 | 152.5° | 0.0° |
| O1 | C1 | C4 | C9 | 22.7° | 179.7° |
| O1 | C1 | C2 | H1 | 78.6° | 173.8° |
| C1 | C4 | C5 | C9 | 175.1° | 179.7° |
| C1 | C4 | C5 | C6 | 179.3° | 180.0° |
| C1 | C4 | C9 | C8 | 178.9° | 179.7° |
| C4 | C1 | C2 | H1 | 76.0° | 5.9° |
| C1 | C4 | C5 | H3 | 0.7° | 0.0° |
| C1 | C4 | C9 | H6 | 1.1° | 0.0° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C5 | C4 | C9 | C8 | 3.2° | 0.6° |
| C4 | C5 | C6 | C7 | 2.9° | 0.0° |
| C4 | C5 | C6 | H4 | 177.1° | 180.0° |
| C5 | C4 | C9 | H6 | 176.8° | 179.7° |
| C9 | C4 | C5 | C6 | 4.2° | 0.3° |
| C4 | C9 | C8 | H6 | 180.0° | 179.7° |
| C4 | C9 | C8 | C7 | 0.9° | 0.6° |
| C9 | C4 | C5 | H3 | 175.8° | 179.7° |
| C4 | C9 | C8 | H5 | 179.1° | 179.7° |
| C5 | C6 | C7 | H4 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.0° |
| C5 | C6 | C7 | O2 | 178.9° | 180.0° |
| C9 | C8 | C7 | C6 | 0.5° | 0.3° |
| C9 | C8 | C7 | H5 | 180.0° | 179.7° |
| C9 | C8 | C7 | O2 | 179.9° | 179.7° |
| C6 | C7 | C8 | O2 | 179.4° | 180.0° |
| C7 | C6 | C5 | H3 | 177.1° | 180.0° |
| C6 | C7 | C8 | H5 | 179.4° | 180.0° |
| C6 | C7 | O2 | H7 | 180.0° | 90.0° |
| C8 | C7 | C6 | H4 | 179.6° | 180.0° |
| C7 | C8 | C9 | H6 | 179.1° | 179.7° |
| C8 | C7 | O2 | H7 | 0.7° | 90.0° |
| O2 | C7 | C6 | H4 | 1.1° | 0.0° |
| O2 | C7 | C8 | H5 | 0.0° | 0.0° |
| H1 | C2 | C3 | H2 | 57.8° | 10.5° |
| H3 | C5 | C6 | H4 | 2.9° | 0.0° |
| H5 | C8 | C9 | H6 | 0.9° | 0.0° |
| H8 | C14 | C15 | H9 | 3.9° | 0.2° |
| H11 | C16 | H12 | H10 | 120.0° | 120.0° |
