A1BLA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | doub | 1.39Å | 1.48Å | Aromatic |
| C23 | C22 | sing | 1.36Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.36Å | 1.38Å | Aromatic |
| C22 | C20 | doub | 1.41Å | 1.47Å | Aromatic |
| C25 | C21 | doub | 1.40Å | 1.46Å | Aromatic |
| C20 | C21 | sing | 1.42Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.41Å | 1.45Å | Aromatic |
| C21 | C16 | sing | 1.42Å | 1.43Å | Aromatic |
| C19 | C18 | doub | 1.36Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C5 | sing | 1.48Å | 1.46Å | |
| C18 | C17 | sing | 1.39Å | 1.47Å | Aromatic |
| N4 | C5 | doub | 1.33Å | 1.35Å | Aromatic |
| N4 | C3 | sing | 1.32Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.46Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.46Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | N10 | sing | 1.32Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.48Å | |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C7 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.40Å | Aromatic |
| C2 | N13 | sing | 1.39Å | 1.42Å | |
| N10 | C11 | doub | 1.32Å | 1.35Å | Aromatic |
| C14 | N13 | sing | 1.47Å | 1.46Å | |
| N13 | C15 | sing | 1.46Å | 1.46Å | |
| C12 | C11 | sing | 1.38Å | 1.48Å | Aromatic |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 123.1° | 120.9° |
| C23 | C24 | C25 | 120.9° | 120.9° |
| C23 | C24 | H13 | 119.6° | 119.5° |
| C24 | C23 | H14 | 118.4° | 119.6° |
| C23 | C22 | C20 | 115.9° | 119.7° |
| C22 | C23 | H14 | 118.5° | 119.5° |
| C23 | C22 | H15 | 122.1° | 120.1° |
| C24 | C25 | C21 | 117.0° | 119.7° |
| C24 | C25 | H12 | 121.5° | 120.2° |
| C25 | C24 | H13 | 119.6° | 119.5° |
| C22 | C20 | C21 | 120.9° | 119.3° |
| C22 | C20 | C19 | 117.7° | 121.2° |
| C20 | C22 | H15 | 122.1° | 120.2° |
| C25 | C21 | C20 | 122.3° | 119.4° |
| C25 | C21 | C16 | 118.8° | 121.2° |
| C21 | C25 | H12 | 121.5° | 120.1° |
| C21 | C20 | C19 | 121.3° | 119.5° |
| C20 | C21 | C16 | 118.9° | 119.3° |
| C20 | C19 | C18 | 119.5° | 120.1° |
| C20 | C19 | H16 | 120.3° | 119.9° |
| C21 | C16 | C17 | 119.8° | 119.3° |
| C21 | C16 | C5 | 124.7° | 120.4° |
| C19 | C18 | C17 | 119.0° | 121.2° |
| C18 | C19 | H16 | 120.2° | 120.0° |
| C19 | C18 | H17 | 120.5° | 119.4° |
| C17 | C16 | C5 | 115.4° | 120.4° |
| C16 | C17 | C18 | 121.5° | 120.6° |
| C16 | C17 | H18 | 119.3° | 119.7° |
| C16 | C5 | N4 | 120.0° | 120.1° |
| C16 | C5 | C6 | 122.2° | 120.1° |
| C17 | C18 | H17 | 120.5° | 119.4° |
| C18 | C17 | H18 | 119.3° | 119.7° |
| C5 | N4 | C3 | 120.8° | 120.1° |
| N4 | C5 | C6 | 117.5° | 119.8° |
| N4 | C3 | C2 | 122.2° | 120.2° |
| N4 | C3 | H3 | 118.9° | 119.9° |
| C5 | C6 | C7 | 123.8° | 120.1° |
| C5 | C6 | N1 | 120.5° | 119.7° |
| C9 | C8 | C7 | 119.6° | 119.0° |
| C8 | C9 | N10 | 119.8° | 120.9° |
| C9 | C8 | H1 | 120.2° | 120.5° |
| C8 | C9 | H2 | 120.1° | 119.6° |
| C8 | C7 | C6 | 118.1° | 120.9° |
| C8 | C7 | C12 | 120.4° | 118.1° |
| C7 | C8 | H1 | 120.2° | 120.5° |
| C3 | C2 | N1 | 117.5° | 120.2° |
| C3 | C2 | N13 | 122.9° | 119.9° |
| C2 | C3 | H3 | 118.9° | 119.9° |
| C9 | N10 | C11 | 122.4° | 122.1° |
| N10 | C9 | H2 | 120.1° | 119.6° |
| C7 | C6 | N1 | 115.4° | 120.2° |
| C6 | C7 | C12 | 121.1° | 120.9° |
| C6 | N1 | C2 | 121.3° | 120.0° |
| C7 | C12 | C11 | 117.2° | 119.0° |
| C7 | C12 | H10 | 121.4° | 120.4° |
| N1 | C2 | N13 | 119.6° | 119.9° |
| C2 | N13 | C14 | 122.9° | 120.0° |
| C2 | N13 | C15 | 119.5° | 120.0° |
| N10 | C11 | C12 | 120.5° | 120.8° |
| N10 | C11 | H11 | 119.8° | 119.6° |
| C14 | N13 | C15 | 117.5° | 120.0° |
| N13 | C14 | H7 | 109.5° | 109.4° |
| N13 | C14 | H8 | 109.5° | 109.4° |
| N13 | C14 | H9 | 109.5° | 109.5° |
| N13 | C15 | H4 | 109.5° | 109.5° |
| N13 | C15 | H5 | 109.5° | 109.5° |
| N13 | C15 | H6 | 109.5° | 109.5° |
| C11 | C12 | H10 | 121.4° | 120.5° |
| C12 | C11 | H11 | 119.8° | 119.5° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H4 | C15 | H6 | 109.4° | 109.4° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.4° | 109.5° |
| H7 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H14 | 180.0° | 180.0° |
| C23 | C24 | C25 | H13 | 180.0° | 180.0° |
| C24 | C23 | C22 | C20 | 0.1° | 0.0° |
| C23 | C24 | C25 | C21 | 0.8° | 0.0° |
| C23 | C24 | C25 | H12 | 179.2° | 180.0° |
| C24 | C23 | C22 | H15 | 179.9° | 180.0° |
| C22 | C23 | C24 | C25 | 0.5° | 0.0° |
| C23 | C22 | C20 | H15 | 180.0° | 180.0° |
| C23 | C22 | C20 | C21 | 0.4° | 0.1° |
| C23 | C22 | C20 | C19 | 179.7° | 180.0° |
| C22 | C23 | C24 | H13 | 179.5° | 180.0° |
| C24 | C25 | C21 | H12 | 180.0° | 180.0° |
| C24 | C25 | C21 | C20 | 0.5° | 0.0° |
| C24 | C25 | C21 | C16 | 178.1° | 180.0° |
| C25 | C24 | C23 | H14 | 179.4° | 180.0° |
| C22 | C20 | C21 | C25 | 0.1° | 0.0° |
| C22 | C20 | C21 | C19 | 179.3° | 180.0° |
| C22 | C20 | C21 | C16 | 178.8° | 180.0° |
| C22 | C20 | C19 | C18 | 179.1° | 180.0° |
| C20 | C22 | C23 | H14 | 179.9° | 179.9° |
| C22 | C20 | C19 | H16 | 0.9° | 0.1° |
| C25 | C21 | C20 | C16 | 178.7° | 180.0° |
| C25 | C21 | C20 | C19 | 179.4° | 180.0° |
| C25 | C21 | C16 | C17 | 178.2° | 180.0° |
| C25 | C21 | C16 | C5 | 2.7° | 0.3° |
| C21 | C25 | C24 | H13 | 179.2° | 180.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.0° |
| C20 | C21 | C16 | C17 | 3.1° | 0.0° |
| C20 | C21 | C16 | C5 | 178.5° | 179.7° |
| C20 | C21 | C25 | H12 | 179.5° | 180.0° |
| C21 | C20 | C22 | H15 | 179.6° | 180.0° |
| C21 | C20 | C19 | H16 | 179.8° | 179.9° |
| C19 | C20 | C21 | C16 | 2.0° | 0.0° |
| C20 | C19 | C18 | H16 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 1.2° | 0.1° |
| C19 | C20 | C22 | H15 | 0.3° | 0.0° |
| C20 | C19 | C18 | H17 | 178.8° | 180.0° |
| C21 | C16 | C17 | C5 | 175.8° | 179.7° |
| C21 | C16 | C17 | C18 | 2.2° | 0.0° |
| C21 | C16 | C5 | N4 | 61.6° | 55.8° |
| C21 | C16 | C5 | C6 | 124.9° | 124.5° |
| C16 | C21 | C25 | H12 | 1.9° | 0.0° |
| C21 | C16 | C17 | H18 | 177.8° | 179.8° |
| C19 | C18 | C17 | C16 | 0.0° | 0.1° |
| C19 | C18 | C17 | H17 | 180.0° | 179.9° |
| C19 | C18 | C17 | H18 | 180.0° | 179.8° |
| C16 | C17 | C18 | H18 | 180.0° | 179.7° |
| C17 | C16 | C5 | N4 | 114.1° | 123.9° |
| C17 | C16 | C5 | C6 | 59.5° | 55.8° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C5 | C16 | C17 | C18 | 178.0° | 179.7° |
| C16 | C5 | N4 | C6 | 173.9° | 179.7° |
| C16 | C5 | N4 | C3 | 177.1° | 179.7° |
| C16 | C5 | C6 | C7 | 8.1° | 0.3° |
| C16 | C5 | C6 | N1 | 178.1° | 179.8° |
| C5 | C16 | C17 | H18 | 2.0° | 0.1° |
| C17 | C18 | C19 | H16 | 178.8° | 179.9° |
| C5 | N4 | C3 | C2 | 0.5° | 0.1° |
| N4 | C5 | C6 | C7 | 178.1° | 180.0° |
| N4 | C5 | C6 | N1 | 4.3° | 0.0° |
| C5 | N4 | C3 | H3 | 179.5° | 180.0° |
| C3 | N4 | C5 | C6 | 3.3° | 0.0° |
| N4 | C3 | C2 | H3 | 180.0° | 179.9° |
| N4 | C3 | C2 | N1 | 1.4° | 0.1° |
| N4 | C3 | C2 | N13 | 179.4° | 180.0° |
| C5 | C6 | C7 | C8 | 52.2° | 43.5° |
| C5 | C6 | C7 | N1 | 174.1° | 179.9° |
| C5 | C6 | C7 | C12 | 135.7° | 136.1° |
| C5 | C6 | N1 | C2 | 2.6° | 0.0° |
| C9 | C8 | C7 | H1 | 180.0° | 180.0° |
| C8 | C9 | N10 | H2 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 176.3° | 180.0° |
| C9 | C8 | C7 | C12 | 4.2° | 0.3° |
| C8 | C9 | N10 | C11 | 1.6° | 0.2° |
| C7 | C8 | C9 | N10 | 2.6° | 0.0° |
| C8 | C7 | C6 | C12 | 172.1° | 179.7° |
| C8 | C7 | C6 | N1 | 121.9° | 136.4° |
| C8 | C7 | C12 | C11 | 4.4° | 0.3° |
| C7 | C8 | C9 | H2 | 177.4° | 180.0° |
| C8 | C7 | C12 | H10 | 175.7° | 179.7° |
| C3 | C2 | N1 | C6 | 0.3° | 0.0° |
| C3 | C2 | N1 | N13 | 178.1° | 180.0° |
| C3 | C2 | N13 | C14 | 4.8° | 175.0° |
| C3 | C2 | N13 | C15 | 176.3° | 5.0° |
| C9 | N10 | C11 | C12 | 1.9° | 0.2° |
| N10 | C9 | C8 | H1 | 177.4° | 180.0° |
| C9 | N10 | C11 | H11 | 178.1° | 179.7° |
| C7 | C6 | N1 | C2 | 176.9° | 180.0° |
| C6 | C7 | C12 | C11 | 176.3° | 180.0° |
| C6 | C7 | C8 | H1 | 3.7° | 0.0° |
| C6 | C7 | C12 | H10 | 3.7° | 0.1° |
| N1 | C6 | C7 | C12 | 50.2° | 43.9° |
| C6 | N1 | C2 | N13 | 178.3° | 180.0° |
| C7 | C12 | C11 | N10 | 3.3° | 0.1° |
| C7 | C12 | C11 | H10 | 180.0° | 180.0° |
| C12 | C7 | C8 | H1 | 175.8° | 179.7° |
| C7 | C12 | C11 | H11 | 176.7° | 180.0° |
| N1 | C2 | N13 | C14 | 173.2° | 5.0° |
| N1 | C2 | N13 | C15 | 5.7° | 175.1° |
| N1 | C2 | C3 | H3 | 178.6° | 180.0° |
| C2 | N13 | C14 | C15 | 178.9° | 180.0° |
| N13 | C2 | C3 | H3 | 0.6° | 0.0° |
| C2 | N13 | C15 | H4 | 180.0° | 90.0° |
| C2 | N13 | C15 | H5 | 60.0° | 150.0° |
| C2 | N13 | C15 | H6 | 60.0° | 29.9° |
| C2 | N13 | C14 | H7 | 180.0° | 60.0° |
| C2 | N13 | C14 | H8 | 60.0° | 180.0° |
| C2 | N13 | C14 | H9 | 60.0° | 60.0° |
| N10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C11 | N10 | C9 | H2 | 178.4° | 179.8° |
| N10 | C11 | C12 | H10 | 176.7° | 180.0° |
| C14 | N13 | C15 | H4 | 1.1° | 90.0° |
| C14 | N13 | C15 | H5 | 119.0° | 30.0° |
| C14 | N13 | C15 | H6 | 121.1° | 150.0° |
| N13 | C14 | H7 | H8 | 120.0° | 119.9° |
| N13 | C14 | H7 | H9 | 120.0° | 120.0° |
| N13 | C14 | H8 | H9 | 120.0° | 120.0° |
| N13 | C15 | H4 | H5 | 120.0° | 120.0° |
| N13 | C15 | H4 | H6 | 120.0° | 120.0° |
| N13 | C15 | H5 | H6 | 120.0° | 120.1° |
| C15 | N13 | C14 | H7 | 1.1° | 120.0° |
| C15 | N13 | C14 | H8 | 121.1° | 0.0° |
| C15 | N13 | C14 | H9 | 118.9° | 120.0° |
| H1 | C8 | C9 | H2 | 2.6° | 0.0° |
| H4 | C15 | H5 | H6 | 120.0° | 119.9° |
| H7 | C14 | H8 | H9 | 120.0° | 120.1° |
| H10 | C12 | C11 | H11 | 3.3° | 0.0° |
| H12 | C25 | C24 | H13 | 0.8° | 0.0° |
| H13 | C24 | C23 | H14 | 0.5° | 0.1° |
| H14 | C23 | C22 | H15 | 0.1° | 0.0° |
| H16 | C19 | C18 | H17 | 1.2° | 0.0° |
| H17 | C18 | C17 | H18 | 0.0° | 0.3° |
