A1BL0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| O9 | C7 | doub | 1.21Å | 1.35Å | |
| C5 | O4 | sing | 1.34Å | 1.34Å | Aromatic |
| C5 | C1 | doub | 1.36Å | 1.37Å | Aromatic |
| C7 | O8 | sing | 1.34Å | 1.22Å | |
| O4 | C3 | sing | 1.34Å | 1.34Å | Aromatic |
| O11 | C10 | doub | 1.22Å | 1.21Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C10 | sing | 1.47Å | 1.48Å | |
| C1 | C2 | sing | 1.47Å | 1.46Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.34Å | 1.34Å | Aromatic |
| C10 | N12 | sing | 1.35Å | 1.36Å | |
| F20 | C19 | sing | 1.40Å | 1.37Å | |
| N12 | C13 | sing | 1.40Å | 1.40Å | |
| C13 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C19 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | F22 | sing | 1.40Å | 1.38Å | |
| C19 | F21 | sing | 1.40Å | 1.37Å | |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| O8 | H8 | sing | 0.97Å | 0.95Å | |
| N12 | H9 | sing | 0.97Å | 1.00Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 112.2° | 109.5° |
| C6 | C5 | O4 | 123.3° | 125.8° |
| C6 | C5 | C1 | 128.3° | 125.8° |
| C5 | C6 | H3 | 108.8° | 109.4° |
| C5 | C6 | H4 | 108.8° | 109.5° |
| C6 | C7 | O9 | 117.8° | 120.0° |
| C6 | C7 | O8 | 122.0° | 120.0° |
| C7 | C6 | H3 | 108.8° | 109.4° |
| C7 | C6 | H4 | 108.8° | 109.5° |
| O9 | C7 | O8 | 120.2° | 120.0° |
| O4 | C5 | C1 | 108.4° | 108.3° |
| C5 | O4 | C3 | 111.3° | 110.9° |
| C5 | C1 | C10 | 129.6° | 127.2° |
| C5 | C1 | C2 | 104.8° | 105.6° |
| C7 | O8 | H8 | 109.5° | 117.1° |
| O4 | C3 | C2 | 108.1° | 109.1° |
| O4 | C3 | H2 | 125.9° | 125.4° |
| O11 | C10 | C1 | 119.0° | 120.0° |
| O11 | C10 | N12 | 121.5° | 120.0° |
| C15 | C14 | C13 | 120.6° | 119.9° |
| C14 | C15 | C16 | 120.1° | 120.1° |
| C14 | C15 | H5 | 120.0° | 119.9° |
| C15 | C14 | H10 | 119.7° | 120.0° |
| C14 | C13 | N12 | 121.2° | 120.0° |
| C14 | C13 | C18 | 119.3° | 119.9° |
| C13 | C14 | H10 | 119.7° | 120.1° |
| C10 | C1 | C2 | 125.6° | 127.2° |
| C1 | C10 | N12 | 119.5° | 120.0° |
| C1 | C2 | C3 | 107.4° | 106.0° |
| C1 | C2 | H1 | 126.3° | 127.0° |
| C15 | C16 | C19 | 120.8° | 119.9° |
| C15 | C16 | C17 | 119.8° | 120.2° |
| C16 | C15 | H5 | 120.0° | 120.0° |
| C3 | C2 | H1 | 126.3° | 127.0° |
| C2 | C3 | H2 | 125.9° | 125.4° |
| C10 | N12 | C13 | 125.0° | 120.0° |
| C10 | N12 | H9 | 117.5° | 120.0° |
| F20 | C19 | C16 | 113.0° | 109.5° |
| F20 | C19 | F22 | 109.8° | 109.5° |
| F20 | C19 | F21 | 107.7° | 109.5° |
| N12 | C13 | C18 | 119.3° | 120.1° |
| C13 | N12 | H9 | 117.5° | 120.0° |
| C13 | C18 | C17 | 120.2° | 119.9° |
| C13 | C18 | H7 | 119.9° | 120.0° |
| C19 | C16 | C17 | 119.4° | 119.9° |
| C16 | C19 | F22 | 112.1° | 109.4° |
| C16 | C19 | F21 | 109.9° | 109.5° |
| C16 | C17 | C18 | 119.9° | 120.1° |
| C16 | C17 | H6 | 120.0° | 120.0° |
| F22 | C19 | F21 | 103.8° | 109.4° |
| C18 | C17 | H6 | 120.0° | 119.9° |
| C17 | C18 | H7 | 119.9° | 120.1° |
| H3 | C6 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | H3 | 120.4° | 119.9° |
| C5 | C6 | C7 | H4 | 120.4° | 120.0° |
| C5 | C6 | C7 | O9 | 158.9° | 0.0° |
| C6 | C5 | O4 | C1 | 179.0° | 179.6° |
| C5 | C6 | C7 | O8 | 22.9° | 180.0° |
| C6 | C5 | O4 | C3 | 178.6° | 180.0° |
| C6 | C5 | C1 | C10 | 0.2° | 0.3° |
| C6 | C5 | C1 | C2 | 178.7° | 180.0° |
| C5 | C6 | H3 | H4 | 118.8° | 120.0° |
| C6 | C7 | O9 | O8 | 178.2° | 180.0° |
| C7 | C6 | C5 | O4 | 89.6° | 90.0° |
| C7 | C6 | C5 | C1 | 91.6° | 89.5° |
| C7 | C6 | H3 | H4 | 118.7° | 120.0° |
| C6 | C7 | O8 | H8 | 178.1° | 180.0° |
| O9 | C7 | C6 | H3 | 38.5° | 119.9° |
| O9 | C7 | C6 | H4 | 80.6° | 120.0° |
| O9 | C7 | O8 | H8 | 0.0° | 0.0° |
| O4 | C5 | C1 | C10 | 179.2° | 179.9° |
| O4 | C5 | C1 | C2 | 0.3° | 0.4° |
| C5 | O4 | C3 | C2 | 0.3° | 0.2° |
| C5 | O4 | C3 | H2 | 179.7° | 179.8° |
| O4 | C5 | C6 | H3 | 150.0° | 29.9° |
| O4 | C5 | C6 | H4 | 30.8° | 150.0° |
| C1 | C5 | O4 | C3 | 0.4° | 0.4° |
| C5 | C1 | C10 | O11 | 8.4° | 0.3° |
| C5 | C1 | C10 | C2 | 178.7° | 179.6° |
| C5 | C1 | C2 | C3 | 0.1° | 0.3° |
| C5 | C1 | C10 | N12 | 171.5° | 179.7° |
| C5 | C1 | C2 | H1 | 179.9° | 179.8° |
| C1 | C5 | C6 | H3 | 28.8° | 150.5° |
| C1 | C5 | C6 | H4 | 148.0° | 30.5° |
| O8 | C7 | C6 | H3 | 143.3° | 60.0° |
| O8 | C7 | C6 | H4 | 97.5° | 60.0° |
| O4 | C3 | C2 | C1 | 0.1° | 0.1° |
| O4 | C3 | C2 | H2 | 180.0° | 180.0° |
| O4 | C3 | C2 | H1 | 179.9° | 180.0° |
| O11 | C10 | C1 | N12 | 179.8° | 180.0° |
| O11 | C10 | C1 | C2 | 172.9° | 179.9° |
| O11 | C10 | N12 | C13 | 1.9° | 5.3° |
| O11 | C10 | N12 | H9 | 178.1° | 174.8° |
| C15 | C14 | C13 | H10 | 180.0° | 179.5° |
| C14 | C15 | C16 | H5 | 180.0° | 179.7° |
| C15 | C14 | C13 | N12 | 178.2° | 179.8° |
| C15 | C14 | C13 | C18 | 3.1° | 0.6° |
| C14 | C15 | C16 | C19 | 178.8° | 179.8° |
| C14 | C15 | C16 | C17 | 0.9° | 0.3° |
| C13 | C14 | C15 | C16 | 2.1° | 0.5° |
| C14 | C13 | N12 | C10 | 45.5° | 147.0° |
| C14 | C13 | N12 | C18 | 175.0° | 179.7° |
| C14 | C13 | C18 | C17 | 2.9° | 0.3° |
| C13 | C14 | C15 | H5 | 177.9° | 179.7° |
| C14 | C13 | C18 | H7 | 177.1° | 179.8° |
| C14 | C13 | N12 | H9 | 134.5° | 33.1° |
| C10 | C1 | C2 | C3 | 179.1° | 180.0° |
| C1 | C10 | N12 | C13 | 177.9° | 174.7° |
| C10 | C1 | C2 | H1 | 0.9° | 0.1° |
| C1 | C10 | N12 | H9 | 2.1° | 5.2° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C2 | C1 | C10 | N12 | 7.2° | 0.1° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C15 | C16 | C19 | F20 | 3.3° | 150.0° |
| C15 | C16 | C19 | C17 | 177.9° | 179.9° |
| C15 | C16 | C19 | F22 | 128.0° | 90.0° |
| C15 | C16 | C19 | F21 | 117.1° | 29.9° |
| C15 | C16 | C17 | C18 | 0.7° | 0.0° |
| C15 | C16 | C17 | H6 | 179.3° | 180.0° |
| C16 | C15 | C14 | H10 | 177.9° | 180.0° |
| C10 | N12 | C13 | H9 | 180.0° | 179.9° |
| C10 | N12 | C13 | C18 | 139.5° | 33.3° |
| F20 | C19 | C16 | F22 | 124.8° | 120.1° |
| F20 | C19 | C16 | F21 | 120.4° | 120.0° |
| F20 | C19 | C16 | C17 | 178.9° | 30.0° |
| F20 | C19 | F22 | F21 | 115.0° | 120.0° |
| N12 | C13 | C18 | C17 | 178.1° | 180.0° |
| N12 | C13 | C18 | H7 | 1.9° | 0.1° |
| N12 | C13 | C14 | H10 | 1.8° | 0.3° |
| C13 | C18 | C17 | C16 | 1.8° | 0.1° |
| C13 | C18 | C17 | H7 | 180.0° | 179.9° |
| C13 | C18 | C17 | H6 | 178.2° | 179.9° |
| C18 | C13 | N12 | H9 | 40.5° | 146.6° |
| C18 | C13 | C14 | H10 | 176.9° | 180.0° |
| C16 | C19 | F22 | F21 | 118.5° | 120.0° |
| C19 | C16 | C17 | C18 | 178.6° | 180.0° |
| C19 | C16 | C15 | H5 | 1.3° | 0.0° |
| C19 | C16 | C17 | H6 | 1.4° | 0.0° |
| C17 | C16 | C19 | F22 | 54.1° | 90.1° |
| C17 | C16 | C19 | F21 | 60.8° | 150.0° |
| C16 | C17 | C18 | H6 | 180.0° | 180.0° |
| C17 | C16 | C15 | H5 | 179.1° | 180.0° |
| C16 | C17 | C18 | H7 | 178.2° | 180.0° |
| H1 | C2 | C3 | H2 | 0.1° | 0.1° |
| H5 | C15 | C14 | H10 | 2.1° | 0.2° |
| H6 | C17 | C18 | H7 | 1.8° | 0.1° |
