A1BL2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.36Å | |
| C2 | C4 | sing | 1.48Å | 1.48Å | |
| C2 | O3 | sing | 1.35Å | 1.22Å | |
| C4 | N8 | doub | 1.32Å | 1.31Å | Aromatic |
| C4 | N5 | sing | 1.34Å | 1.35Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| N8 | N7 | sing | 1.29Å | 1.28Å | Aromatic |
| N5 | N6 | doub | 1.29Å | 1.30Å | Aromatic |
| C18 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| N7 | N6 | sing | 1.29Å | 1.29Å | Aromatic |
| N7 | C9 | sing | 1.40Å | 1.39Å | |
| F15 | C14 | sing | 1.40Å | 1.39Å | |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.37Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| O13 | C14 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | F17 | sing | 1.40Å | 1.39Å | |
| C14 | F16 | sing | 1.40Å | 1.38Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C4 | 119.5° | 120.1° |
| O1 | C2 | O3 | 120.5° | 120.0° |
| C4 | C2 | O3 | 119.9° | 120.0° |
| C2 | C4 | N8 | 122.9° | 126.6° |
| C2 | C4 | N5 | 130.9° | 126.8° |
| C2 | O3 | H4 | 109.5° | 117.0° |
| N8 | C4 | N5 | 106.2° | 106.6° |
| C4 | N8 | N7 | 108.9° | 107.7° |
| C4 | N5 | N6 | 107.1° | 107.3° |
| C18 | C19 | C9 | 121.0° | 120.0° |
| C19 | C18 | C12 | 120.1° | 120.0° |
| C19 | C18 | H2 | 119.9° | 120.0° |
| C18 | C19 | H3 | 119.5° | 120.0° |
| C19 | C9 | N7 | 120.5° | 120.0° |
| C19 | C9 | C10 | 119.2° | 119.9° |
| C9 | C19 | H3 | 119.5° | 120.0° |
| N8 | N7 | N6 | 109.4° | 109.4° |
| N8 | N7 | C9 | 121.4° | 125.3° |
| N5 | N6 | N7 | 108.5° | 109.0° |
| C18 | C12 | O13 | 123.5° | 120.0° |
| C18 | C12 | C11 | 118.6° | 120.0° |
| C12 | C18 | H2 | 120.0° | 120.0° |
| N6 | N7 | C9 | 129.2° | 125.3° |
| N7 | C9 | C10 | 120.2° | 120.0° |
| F15 | C14 | O13 | 110.8° | 109.5° |
| F15 | C14 | F17 | 109.3° | 109.5° |
| F15 | C14 | F16 | 109.8° | 109.4° |
| C9 | C10 | C11 | 120.4° | 120.0° |
| C9 | C10 | H5 | 119.8° | 120.0° |
| O13 | C12 | C11 | 117.8° | 120.0° |
| C12 | O13 | C14 | 121.3° | 117.0° |
| C12 | C11 | C10 | 120.6° | 120.0° |
| C12 | C11 | H1 | 119.7° | 119.9° |
| O13 | C14 | F17 | 109.7° | 109.5° |
| O13 | C14 | F16 | 108.3° | 109.5° |
| C10 | C11 | H1 | 119.7° | 120.1° |
| C11 | C10 | H5 | 119.8° | 120.0° |
| F17 | C14 | F16 | 108.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C4 | O3 | 176.0° | 179.7° |
| O1 | C2 | C4 | N8 | 53.8° | 0.3° |
| O1 | C2 | C4 | N5 | 125.4° | 179.4° |
| O1 | C2 | O3 | H4 | 0.0° | 0.3° |
| C2 | C4 | N8 | N5 | 179.4° | 179.7° |
| C2 | C4 | N8 | N7 | 179.4° | 179.9° |
| C2 | C4 | N5 | N6 | 179.9° | 179.9° |
| C4 | C2 | O3 | H4 | 176.0° | 180.0° |
| O3 | C2 | C4 | N8 | 122.2° | 180.0° |
| O3 | C2 | C4 | N5 | 58.6° | 0.3° |
| N8 | C4 | N5 | N6 | 0.5° | 0.2° |
| C4 | N8 | N7 | N6 | 0.5° | 0.4° |
| C4 | N8 | N7 | C9 | 178.0° | 179.8° |
| N5 | C4 | N8 | N7 | 0.0° | 0.4° |
| C4 | N5 | N6 | N7 | 0.8° | 0.0° |
| C18 | C19 | C9 | H3 | 180.0° | 179.9° |
| C19 | C18 | C12 | H2 | 180.0° | 180.0° |
| C18 | C19 | C9 | N7 | 177.9° | 180.0° |
| C18 | C19 | C9 | C10 | 1.4° | 0.3° |
| C19 | C18 | C12 | O13 | 178.5° | 180.0° |
| C19 | C18 | C12 | C11 | 1.4° | 0.0° |
| C19 | C9 | N7 | N8 | 32.8° | 179.7° |
| C9 | C19 | C18 | C12 | 1.1° | 0.0° |
| C19 | C9 | N7 | N6 | 150.3° | 0.0° |
| C19 | C9 | N7 | C10 | 176.5° | 179.7° |
| C19 | C9 | C10 | C11 | 2.0° | 0.6° |
| C9 | C19 | C18 | H2 | 178.9° | 180.0° |
| C19 | C9 | C10 | H5 | 178.0° | 179.9° |
| N8 | N7 | N6 | N5 | 0.9° | 0.3° |
| N8 | N7 | N6 | C9 | 177.2° | 179.8° |
| N8 | N7 | C9 | C10 | 143.7° | 0.6° |
| N5 | N6 | N7 | C9 | 178.0° | 180.0° |
| C18 | C12 | O13 | C11 | 177.1° | 180.0° |
| C18 | C12 | O13 | C14 | 45.9° | 0.0° |
| C18 | C12 | C11 | C10 | 2.1° | 0.2° |
| C18 | C12 | C11 | H1 | 177.9° | 180.0° |
| C12 | C18 | C19 | H3 | 178.9° | 180.0° |
| N6 | N7 | C9 | C10 | 33.2° | 179.7° |
| N7 | C9 | C10 | C11 | 178.6° | 179.8° |
| N7 | C9 | C19 | H3 | 2.1° | 0.1° |
| N7 | C9 | C10 | H5 | 1.4° | 0.3° |
| F15 | C14 | O13 | C12 | 68.7° | 180.0° |
| F15 | C14 | O13 | F17 | 120.7° | 120.0° |
| F15 | C14 | O13 | F16 | 120.5° | 119.9° |
| F15 | C14 | F17 | F16 | 120.0° | 120.0° |
| C9 | C10 | C11 | C12 | 2.4° | 0.5° |
| C9 | C10 | C11 | H5 | 180.0° | 179.5° |
| C9 | C10 | C11 | H1 | 177.6° | 179.7° |
| C10 | C9 | C19 | H3 | 178.6° | 179.7° |
| O13 | C12 | C11 | C10 | 179.4° | 179.8° |
| C12 | O13 | C14 | F17 | 170.6° | 60.0° |
| C12 | O13 | C14 | F16 | 51.9° | 60.1° |
| O13 | C12 | C11 | H1 | 0.6° | 0.0° |
| O13 | C12 | C18 | H2 | 1.5° | 0.0° |
| C11 | C12 | O13 | C14 | 137.0° | 180.0° |
| C12 | C11 | C10 | H1 | 180.0° | 179.8° |
| C11 | C12 | C18 | H2 | 178.6° | 180.0° |
| C12 | C11 | C10 | H5 | 177.6° | 180.0° |
| O13 | C14 | F17 | F16 | 118.3° | 120.0° |
| H1 | C11 | C10 | H5 | 2.5° | 0.2° |
| H2 | C18 | C19 | H3 | 1.1° | 0.1° |
