A1L8P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C08 | sing | 1.35Å | 1.40Å | Aromatic |
| O01 | C09 | sing | 1.35Å | 1.40Å | Aromatic |
| O02 | C12 | sing | 1.45Å | 1.46Å | |
| O02 | C14 | sing | 1.35Å | 1.39Å | |
| O03 | C13 | sing | 1.45Å | 1.47Å | |
| O03 | C15 | sing | 1.35Å | 1.39Å | |
| O04 | C16 | sing | 1.43Å | 1.41Å | |
| O05 | C17 | sing | 1.43Å | 1.41Å | |
| O06 | C14 | doub | 1.21Å | 1.22Å | |
| O07 | C15 | doub | 1.22Å | 1.22Å | |
| C08 | C14 | sing | 1.47Å | 1.53Å | |
| C08 | C10 | doub | 1.37Å | 1.38Å | Aromatic |
| C09 | C15 | sing | 1.47Å | 1.51Å | |
| C09 | C11 | doub | 1.37Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.45Å | Aromatic |
| C12 | C16 | sing | 1.53Å | 1.59Å | |
| C13 | C17 | sing | 1.53Å | 1.57Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| O04 | H1 | sing | 0.97Å | 0.95Å | |
| O05 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | O01 | C09 | 108.2° | 109.4° |
| O01 | C08 | C14 | 120.5° | 125.9° |
| O01 | C08 | C10 | 108.5° | 108.3° |
| O01 | C09 | C15 | 120.0° | 125.8° |
| O01 | C09 | C11 | 108.7° | 108.4° |
| C12 | O02 | C14 | 121.0° | 117.0° |
| O02 | C12 | C16 | 109.3° | 109.5° |
| O02 | C12 | H5 | 109.5° | 109.5° |
| O02 | C12 | H6 | 109.5° | 109.5° |
| O02 | C14 | O06 | 117.6° | 120.0° |
| O02 | C14 | C08 | 121.2° | 120.0° |
| C13 | O03 | C15 | 119.3° | 117.0° |
| O03 | C13 | C17 | 110.4° | 109.5° |
| O03 | C13 | H8 | 109.3° | 109.5° |
| O03 | C13 | H7 | 109.2° | 109.4° |
| O03 | C15 | O07 | 117.6° | 120.0° |
| O03 | C15 | C09 | 120.4° | 120.0° |
| O04 | C16 | C12 | 107.5° | 109.5° |
| O04 | C16 | H9 | 110.0° | 109.5° |
| O04 | C16 | H10 | 110.0° | 109.5° |
| C16 | O04 | H1 | 109.5° | 114.0° |
| O05 | C17 | C13 | 107.5° | 109.5° |
| O05 | C17 | H12 | 110.0° | 109.5° |
| O05 | C17 | H11 | 110.0° | 109.5° |
| C17 | O05 | H2 | 109.5° | 114.0° |
| O06 | C14 | C08 | 121.3° | 120.0° |
| O07 | C15 | C09 | 122.0° | 120.0° |
| C14 | C08 | C10 | 131.0° | 125.8° |
| C08 | C10 | C11 | 107.2° | 107.0° |
| C08 | C10 | H3 | 126.4° | 126.5° |
| C15 | C09 | C11 | 131.3° | 125.8° |
| C09 | C11 | C10 | 107.5° | 106.9° |
| C09 | C11 | H4 | 126.3° | 126.5° |
| C11 | C10 | H3 | 126.4° | 126.6° |
| C10 | C11 | H4 | 126.3° | 126.5° |
| C16 | C12 | H5 | 109.5° | 109.5° |
| C16 | C12 | H6 | 109.5° | 109.5° |
| C12 | C16 | H9 | 110.0° | 109.5° |
| C12 | C16 | H10 | 110.0° | 109.4° |
| C17 | C13 | H8 | 109.2° | 109.5° |
| C17 | C13 | H7 | 109.2° | 109.5° |
| C13 | C17 | H12 | 110.0° | 109.5° |
| C13 | C17 | H11 | 110.0° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H8 | C13 | H7 | 109.5° | 109.4° |
| H9 | C16 | H10 | 109.5° | 109.4° |
| H12 | C17 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C08 | C14 | O02 | 10.5° | 0.0° |
| O01 | C08 | C14 | O06 | 169.3° | 180.0° |
| O01 | C08 | C14 | C10 | 179.4° | 180.0° |
| C08 | O01 | C09 | C15 | 179.7° | 180.0° |
| C08 | O01 | C09 | C11 | 0.0° | 0.4° |
| O01 | C08 | C10 | C11 | 0.2° | 0.0° |
| O01 | C08 | C10 | H3 | 179.8° | 179.7° |
| O01 | C09 | C15 | O03 | 59.3° | 0.5° |
| O01 | C09 | C15 | O07 | 121.4° | 179.6° |
| C09 | O01 | C08 | C14 | 179.4° | 179.8° |
| C09 | O01 | C08 | C10 | 0.2° | 0.2° |
| O01 | C09 | C15 | C11 | 179.6° | 179.5° |
| O01 | C09 | C11 | C10 | 0.1° | 0.4° |
| O01 | C09 | C11 | H4 | 179.9° | 179.7° |
| O02 | C12 | C16 | O04 | 168.8° | 65.0° |
| C12 | O02 | C14 | O06 | 33.4° | 0.0° |
| C12 | O02 | C14 | C08 | 146.4° | 180.0° |
| O02 | C12 | C16 | H5 | 120.0° | 120.0° |
| O02 | C12 | C16 | H6 | 120.0° | 120.0° |
| O02 | C12 | H5 | H6 | 120.1° | 120.0° |
| O02 | C12 | C16 | H9 | 71.5° | 174.9° |
| O02 | C12 | C16 | H10 | 49.1° | 55.0° |
| O02 | C14 | O06 | C08 | 179.8° | 180.0° |
| O02 | C14 | C08 | C10 | 170.1° | 180.0° |
| C14 | O02 | C12 | C16 | 178.4° | 180.0° |
| C14 | O02 | C12 | H5 | 61.6° | 60.0° |
| C14 | O02 | C12 | H6 | 58.5° | 60.0° |
| O03 | C13 | C17 | O05 | 160.9° | 64.9° |
| C13 | O03 | C15 | O07 | 123.0° | 0.0° |
| C13 | O03 | C15 | C09 | 56.2° | 180.0° |
| O03 | C13 | C17 | H8 | 120.2° | 120.1° |
| O03 | C13 | C17 | H7 | 120.1° | 120.0° |
| O03 | C13 | H8 | H7 | 119.6° | 120.0° |
| O03 | C13 | C17 | H12 | 79.4° | 175.0° |
| O03 | C13 | C17 | H11 | 41.2° | 55.0° |
| O03 | C15 | O07 | C09 | 179.3° | 180.0° |
| O03 | C15 | C09 | C11 | 120.3° | 180.0° |
| C15 | O03 | C13 | C17 | 77.8° | 180.0° |
| C15 | O03 | C13 | H8 | 42.4° | 60.0° |
| C15 | O03 | C13 | H7 | 162.1° | 60.0° |
| O04 | C16 | C12 | H9 | 119.7° | 120.1° |
| O04 | C16 | C12 | H10 | 119.7° | 120.0° |
| O04 | C16 | C12 | H5 | 71.3° | 175.0° |
| O04 | C16 | C12 | H6 | 48.8° | 55.0° |
| O04 | C16 | H9 | H10 | 120.9° | 120.0° |
| O05 | C17 | C13 | H12 | 119.7° | 120.0° |
| O05 | C17 | C13 | H11 | 119.7° | 120.0° |
| O05 | C17 | C13 | H8 | 78.9° | 175.0° |
| O05 | C17 | C13 | H7 | 40.8° | 55.0° |
| O05 | C17 | H12 | H11 | 120.9° | 120.0° |
| O06 | C14 | C08 | C10 | 10.1° | 0.0° |
| O07 | C15 | C09 | C11 | 58.9° | 0.0° |
| C14 | C08 | C10 | C11 | 179.2° | 180.0° |
| C14 | C08 | C10 | H3 | 0.8° | 0.3° |
| C08 | C10 | C11 | C09 | 0.2° | 0.3° |
| C08 | C10 | C11 | H3 | 180.0° | 179.7° |
| C08 | C10 | C11 | H4 | 179.8° | 179.8° |
| C15 | C09 | C11 | C10 | 179.8° | 180.0° |
| C15 | C09 | C11 | H4 | 0.2° | 0.1° |
| C09 | C11 | C10 | H4 | 180.0° | 179.9° |
| C09 | C11 | C10 | H3 | 179.8° | 180.0° |
| C16 | C12 | H5 | H6 | 120.1° | 120.0° |
| C12 | C16 | H9 | H10 | 120.9° | 120.0° |
| C12 | C16 | O04 | H1 | 180.0° | 180.0° |
| C17 | C13 | H8 | H7 | 119.6° | 120.0° |
| C13 | C17 | H12 | H11 | 120.9° | 120.0° |
| C13 | C17 | O05 | H2 | 180.0° | 180.0° |
| H3 | C10 | C11 | H4 | 0.2° | 0.1° |
| H5 | C12 | C16 | H9 | 48.4° | 54.9° |
| H5 | C12 | C16 | H10 | 169.1° | 65.0° |
| H6 | C12 | C16 | H9 | 168.5° | 65.0° |
| H6 | C12 | C16 | H10 | 70.9° | 175.0° |
| H8 | C13 | C17 | H12 | 40.8° | 55.0° |
| H8 | C13 | C17 | H11 | 161.4° | 65.0° |
| H7 | C13 | C17 | H12 | 160.5° | 65.0° |
| H7 | C13 | C17 | H11 | 78.9° | 175.0° |
| H9 | C16 | O04 | H1 | 60.3° | 60.0° |
| H10 | C16 | O04 | H1 | 60.3° | 60.0° |
| H12 | C17 | O05 | H2 | 60.3° | 60.0° |
| H11 | C17 | O05 | H2 | 60.3° | 60.0° |
