A1BL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F33 | C30 | sing | 1.40Å | 1.38Å | |
| F32 | C30 | sing | 1.40Å | 1.39Å | |
| C30 | F31 | sing | 1.40Å | 1.38Å | |
| C30 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | N23 | sing | 1.40Å | 1.41Å | |
| N23 | C21 | sing | 1.35Å | 1.36Å | |
| O22 | C21 | doub | 1.21Å | 1.22Å | |
| C21 | C4 | sing | 1.48Å | 1.50Å | |
| O37 | C35 | doub | 1.21Å | 1.33Å | |
| O36 | C35 | sing | 1.34Å | 1.21Å | |
| C35 | C34 | sing | 1.51Å | 1.50Å | |
| C4 | N5 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| N5 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C34 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | N7 | sing | 1.47Å | 1.48Å | |
| C6 | N7 | sing | 1.38Å | 1.41Å | |
| C6 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| C11 | N10 | sing | 1.47Å | 1.49Å | |
| N7 | C8 | sing | 1.47Å | 1.49Å | |
| C2 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| O14 | C13 | doub | 1.21Å | 1.22Å | |
| N10 | C13 | sing | 1.35Å | 1.37Å | |
| N10 | C9 | sing | 1.47Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.48Å | 1.49Å | |
| C15 | N20 | doub | 1.33Å | 1.33Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| N20 | C19 | sing | 1.32Å | 1.32Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | N18 | doub | 1.32Å | 1.32Å | Aromatic |
| C17 | N18 | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C34 | H11 | sing | 1.09Å | 1.10Å | |
| C34 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| N23 | H15 | sing | 0.97Å | 1.00Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| O36 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F33 | C30 | F32 | 111.5° | 109.5° |
| F33 | C30 | F31 | 107.7° | 109.5° |
| F33 | C30 | C27 | 111.2° | 109.5° |
| F32 | C30 | F31 | 106.0° | 109.4° |
| F32 | C30 | C27 | 112.5° | 109.5° |
| F31 | C30 | C27 | 107.7° | 109.5° |
| C30 | C27 | C26 | 121.7° | 119.9° |
| C30 | C27 | C28 | 118.9° | 120.0° |
| C26 | C27 | C28 | 119.4° | 120.2° |
| C27 | C26 | C25 | 120.7° | 120.0° |
| C27 | C26 | H17 | 119.6° | 120.0° |
| C27 | C28 | C29 | 120.2° | 120.1° |
| C27 | C28 | H18 | 119.9° | 120.0° |
| C26 | C25 | C24 | 120.4° | 120.0° |
| C26 | C25 | H16 | 119.8° | 120.0° |
| C25 | C26 | H17 | 119.6° | 120.0° |
| C28 | C29 | C24 | 121.1° | 119.9° |
| C29 | C28 | H18 | 119.9° | 119.9° |
| C28 | C29 | H19 | 119.4° | 120.0° |
| C25 | C24 | C29 | 118.3° | 119.8° |
| C25 | C24 | N23 | 125.6° | 120.1° |
| C24 | C25 | H16 | 119.8° | 120.0° |
| C29 | C24 | N23 | 116.1° | 120.1° |
| C24 | C29 | H19 | 119.4° | 120.1° |
| C24 | N23 | C21 | 126.2° | 120.0° |
| C24 | N23 | H15 | 116.9° | 120.0° |
| N23 | C21 | O22 | 122.2° | 120.0° |
| N23 | C21 | C4 | 117.2° | 120.0° |
| C21 | N23 | H15 | 116.9° | 120.0° |
| O22 | C21 | C4 | 120.7° | 120.0° |
| C21 | C4 | N5 | 115.6° | 120.5° |
| C21 | C4 | C3 | 126.5° | 120.5° |
| O37 | C35 | O36 | 119.1° | 120.0° |
| O37 | C35 | C34 | 117.9° | 120.0° |
| O36 | C35 | C34 | 123.0° | 120.0° |
| C35 | O36 | H20 | 109.5° | 117.0° |
| C35 | C34 | C3 | 113.0° | 109.5° |
| C35 | C34 | H11 | 108.6° | 109.4° |
| C35 | C34 | H12 | 108.6° | 109.5° |
| N5 | C4 | C3 | 117.9° | 118.9° |
| C4 | N5 | C6 | 123.5° | 120.7° |
| C4 | C3 | C34 | 125.2° | 120.8° |
| C4 | C3 | C2 | 117.2° | 118.5° |
| N5 | C6 | N7 | 120.7° | 119.1° |
| N5 | C6 | N1 | 118.8° | 121.7° |
| C34 | C3 | C2 | 117.7° | 120.8° |
| C3 | C34 | H11 | 108.6° | 109.5° |
| C3 | C34 | H12 | 108.6° | 109.5° |
| C3 | C2 | N1 | 120.3° | 119.2° |
| C3 | C2 | H1 | 119.8° | 120.4° |
| C11 | C12 | N7 | 110.3° | 109.4° |
| C12 | C11 | N10 | 107.8° | 108.5° |
| C12 | C11 | H4 | 109.9° | 109.6° |
| C12 | C11 | H5 | 109.9° | 109.8° |
| C11 | C12 | H6 | 109.3° | 109.5° |
| C11 | C12 | H7 | 109.3° | 109.5° |
| C12 | N7 | C6 | 116.6° | 111.0° |
| C12 | N7 | C8 | 110.6° | 111.3° |
| N7 | C12 | H6 | 109.3° | 109.5° |
| N7 | C12 | H7 | 109.3° | 109.5° |
| N7 | C6 | N1 | 120.4° | 119.2° |
| C6 | N7 | C8 | 118.5° | 111.0° |
| C6 | N1 | C2 | 122.3° | 121.0° |
| C11 | N10 | C13 | 121.9° | 120.9° |
| C11 | N10 | C9 | 111.4° | 118.3° |
| N10 | C11 | H4 | 109.9° | 109.6° |
| N10 | C11 | H5 | 109.9° | 109.6° |
| N7 | C8 | C9 | 110.2° | 109.3° |
| N7 | C8 | H2 | 109.3° | 109.5° |
| N7 | C8 | H3 | 109.3° | 109.5° |
| N1 | C2 | H1 | 119.9° | 120.4° |
| O14 | C13 | N10 | 119.7° | 120.0° |
| O14 | C13 | C15 | 115.2° | 120.0° |
| C13 | N10 | C9 | 126.7° | 120.9° |
| N10 | C13 | C15 | 125.2° | 120.0° |
| N10 | C9 | C8 | 107.0° | 108.5° |
| N10 | C9 | H13 | 110.1° | 109.7° |
| N10 | C9 | H14 | 110.1° | 109.7° |
| C9 | C8 | H2 | 109.3° | 109.5° |
| C9 | C8 | H3 | 109.3° | 109.5° |
| C8 | C9 | H13 | 110.1° | 109.6° |
| C8 | C9 | H14 | 110.1° | 109.6° |
| C13 | C15 | N20 | 119.4° | 120.5° |
| C13 | C15 | C16 | 122.1° | 120.6° |
| N20 | C15 | C16 | 118.5° | 118.9° |
| C15 | N20 | C19 | 121.1° | 120.7° |
| C15 | C16 | C17 | 118.4° | 118.3° |
| C15 | C16 | H8 | 120.8° | 120.9° |
| N20 | C19 | N18 | 121.8° | 121.9° |
| N20 | C19 | H10 | 119.1° | 119.0° |
| C16 | C17 | N18 | 119.2° | 119.1° |
| C17 | C16 | H8 | 120.8° | 120.8° |
| C16 | C17 | H9 | 120.4° | 120.4° |
| C19 | N18 | C17 | 121.0° | 121.1° |
| N18 | C19 | H10 | 119.1° | 119.1° |
| N18 | C17 | H9 | 120.4° | 120.4° |
| H2 | C8 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.4° | 109.6° |
| H6 | C12 | H7 | 109.4° | 109.5° |
| H11 | C34 | H12 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F33 | C30 | F32 | F31 | 116.9° | 120.0° |
| F33 | C30 | F32 | C27 | 125.7° | 120.0° |
| F33 | C30 | F31 | C27 | 120.0° | 120.1° |
| F33 | C30 | C27 | C26 | 132.4° | 30.0° |
| F33 | C30 | C27 | C28 | 49.1° | 150.3° |
| F32 | C30 | F31 | C27 | 120.5° | 120.0° |
| F32 | C30 | C27 | C26 | 6.5° | 150.0° |
| F32 | C30 | C27 | C28 | 175.0° | 30.3° |
| F31 | C30 | C27 | C26 | 109.8° | 90.0° |
| F31 | C30 | C27 | C28 | 68.7° | 89.7° |
| C30 | C27 | C26 | C28 | 178.5° | 179.7° |
| C30 | C27 | C26 | C25 | 179.1° | 179.9° |
| C30 | C27 | C28 | C29 | 179.4° | 180.0° |
| C30 | C27 | C26 | H17 | 0.9° | 0.1° |
| C30 | C27 | C28 | H18 | 0.6° | 0.4° |
| C27 | C26 | C25 | H17 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.9° | 0.3° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C27 | C26 | C25 | H16 | 180.0° | 180.0° |
| C26 | C27 | C28 | H18 | 179.1° | 180.0° |
| C28 | C27 | C26 | C25 | 0.6° | 0.3° |
| C27 | C28 | C29 | H18 | 180.0° | 179.7° |
| C27 | C28 | C29 | C24 | 0.5° | 0.1° |
| C28 | C27 | C26 | H17 | 179.3° | 179.7° |
| C27 | C28 | C29 | H19 | 179.5° | 180.0° |
| C26 | C25 | C24 | H16 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 0.4° | 0.2° |
| C26 | C25 | C24 | N23 | 178.0° | 180.0° |
| C28 | C29 | C24 | C25 | 0.1° | 0.2° |
| C28 | C29 | C24 | H19 | 180.0° | 179.9° |
| C28 | C29 | C24 | N23 | 178.0° | 180.0° |
| C25 | C24 | C29 | N23 | 177.9° | 179.8° |
| C25 | C24 | N23 | C21 | 23.2° | 144.8° |
| C25 | C24 | N23 | H15 | 156.8° | 35.3° |
| C24 | C25 | C26 | H17 | 180.0° | 180.0° |
| C25 | C24 | C29 | H19 | 179.8° | 179.7° |
| C29 | C24 | N23 | C21 | 154.5° | 35.4° |
| C29 | C24 | N23 | H15 | 25.5° | 144.5° |
| C29 | C24 | C25 | H16 | 179.7° | 179.8° |
| C24 | C29 | C28 | H18 | 179.5° | 179.8° |
| C24 | N23 | C21 | H15 | 180.0° | 179.9° |
| C24 | N23 | C21 | O22 | 3.6° | 4.5° |
| C24 | N23 | C21 | C4 | 176.0° | 175.5° |
| N23 | C24 | C25 | H16 | 2.0° | 0.0° |
| N23 | C24 | C29 | H19 | 2.0° | 0.1° |
| N23 | C21 | O22 | C4 | 179.5° | 180.0° |
| N23 | C21 | C4 | N5 | 20.3° | 0.0° |
| N23 | C21 | C4 | C3 | 161.3° | 180.0° |
| O22 | C21 | C4 | N5 | 159.3° | 180.0° |
| O22 | C21 | C4 | C3 | 19.1° | 0.0° |
| O22 | C21 | N23 | H15 | 176.4° | 175.4° |
| C21 | C4 | N5 | C3 | 178.5° | 180.0° |
| C21 | C4 | N5 | C6 | 179.2° | 179.8° |
| C21 | C4 | C3 | C34 | 0.4° | 0.0° |
| C21 | C4 | C3 | C2 | 179.3° | 180.0° |
| C4 | C21 | N23 | H15 | 4.0° | 4.5° |
| O37 | C35 | O36 | C34 | 179.1° | 180.0° |
| O37 | C35 | C34 | C3 | 156.6° | 0.0° |
| O37 | C35 | C34 | H11 | 82.9° | 120.0° |
| O37 | C35 | C34 | H12 | 36.1° | 120.0° |
| O37 | C35 | O36 | H20 | 0.0° | 0.0° |
| O36 | C35 | C34 | C3 | 22.6° | 180.0° |
| O36 | C35 | C34 | H11 | 97.9° | 60.0° |
| O36 | C35 | C34 | H12 | 143.1° | 60.0° |
| C35 | C34 | C3 | C4 | 62.3° | 85.0° |
| C35 | C34 | C3 | H11 | 120.5° | 120.0° |
| C35 | C34 | C3 | H12 | 120.5° | 120.0° |
| C35 | C34 | C3 | C2 | 118.0° | 95.0° |
| C35 | C34 | H11 | H12 | 118.4° | 120.0° |
| C34 | C35 | O36 | H20 | 179.1° | 180.0° |
| N5 | C4 | C3 | C34 | 178.8° | 180.0° |
| N5 | C4 | C3 | C2 | 1.0° | 0.0° |
| C4 | N5 | C6 | N7 | 178.6° | 180.0° |
| C4 | N5 | C6 | N1 | 0.4° | 0.5° |
| C3 | C4 | N5 | C6 | 0.6° | 0.2° |
| C4 | C3 | C34 | C2 | 179.7° | 180.0° |
| C4 | C3 | C2 | N1 | 0.3° | 0.0° |
| C4 | C3 | C2 | H1 | 179.7° | 179.7° |
| C4 | C3 | C34 | H11 | 177.2° | 155.0° |
| C4 | C3 | C34 | H12 | 58.2° | 35.0° |
| N5 | C6 | N7 | C12 | 27.3° | 179.5° |
| N5 | C6 | N7 | N1 | 178.2° | 179.5° |
| N5 | C6 | N7 | C8 | 163.4° | 55.2° |
| N5 | C6 | N1 | C2 | 1.1° | 0.6° |
| C34 | C3 | C2 | N1 | 179.4° | 180.0° |
| C34 | C3 | C2 | H1 | 0.6° | 0.3° |
| C3 | C34 | H11 | H12 | 118.4° | 120.0° |
| C3 | C2 | N1 | C6 | 0.7° | 0.3° |
| C3 | C2 | N1 | H1 | 180.0° | 179.6° |
| C2 | C3 | C34 | H11 | 2.5° | 25.0° |
| C2 | C3 | C34 | H12 | 121.5° | 145.0° |
| C11 | C12 | N7 | H6 | 120.2° | 120.0° |
| C11 | C12 | N7 | H7 | 120.2° | 120.0° |
| C11 | C12 | N7 | C6 | 80.9° | 172.8° |
| C12 | C11 | N10 | H4 | 119.8° | 119.7° |
| C12 | C11 | N10 | H5 | 119.8° | 120.0° |
| C11 | C12 | N7 | C8 | 58.5° | 63.1° |
| C12 | C11 | N10 | C13 | 119.3° | 128.8° |
| C12 | C11 | N10 | C9 | 61.5° | 51.2° |
| C12 | C11 | H4 | H5 | 120.8° | 120.6° |
| C11 | C12 | H6 | H7 | 119.6° | 120.0° |
| C12 | N7 | C6 | C8 | 136.1° | 124.3° |
| C12 | N7 | C6 | N1 | 154.5° | 0.0° |
| N7 | C12 | C11 | N10 | 58.4° | 53.8° |
| C12 | N7 | C8 | C9 | 59.1° | 63.1° |
| C12 | N7 | C8 | H2 | 61.0° | 177.0° |
| C12 | N7 | C8 | H3 | 179.3° | 56.9° |
| N7 | C12 | C11 | H4 | 61.4° | 65.9° |
| N7 | C12 | C11 | H5 | 178.2° | 173.7° |
| N7 | C12 | H6 | H7 | 119.6° | 120.1° |
| N7 | C6 | N1 | C2 | 179.3° | 179.9° |
| C6 | N7 | C8 | C9 | 79.3° | 172.8° |
| C6 | N7 | C8 | H2 | 160.6° | 52.8° |
| C6 | N7 | C8 | H3 | 40.8° | 67.2° |
| C6 | N7 | C12 | H6 | 158.9° | 52.8° |
| C6 | N7 | C12 | H7 | 39.2° | 67.3° |
| N1 | C6 | N7 | C8 | 18.4° | 124.3° |
| C6 | N1 | C2 | H1 | 179.3° | 180.0° |
| C11 | N10 | C13 | O14 | 0.6° | 179.2° |
| C11 | N10 | C13 | C9 | 179.0° | 180.0° |
| C11 | N10 | C9 | C8 | 61.7° | 51.2° |
| C11 | N10 | C13 | C15 | 179.1° | 0.8° |
| N10 | C11 | H4 | H5 | 120.7° | 120.4° |
| N10 | C11 | C12 | H6 | 61.7° | 173.8° |
| N10 | C11 | C12 | H7 | 178.5° | 66.2° |
| C11 | N10 | C9 | H13 | 57.9° | 68.5° |
| C11 | N10 | C9 | H14 | 178.6° | 170.9° |
| N7 | C8 | C9 | N10 | 59.3° | 53.9° |
| N7 | C8 | C9 | H2 | 120.1° | 119.9° |
| N7 | C8 | C9 | H3 | 120.1° | 120.0° |
| N7 | C8 | H2 | H3 | 119.7° | 120.1° |
| C8 | N7 | C12 | H6 | 61.7° | 176.9° |
| C8 | N7 | C12 | H7 | 178.6° | 56.9° |
| N7 | C8 | C9 | H13 | 60.3° | 65.9° |
| N7 | C8 | C9 | H14 | 178.9° | 173.6° |
| O14 | C13 | N10 | C15 | 179.7° | 180.0° |
| O14 | C13 | N10 | C9 | 179.6° | 0.8° |
| O14 | C13 | C15 | N20 | 53.0° | 168.6° |
| O14 | C13 | C15 | C16 | 124.0° | 11.1° |
| C13 | N10 | C9 | C8 | 119.1° | 128.8° |
| N10 | C13 | C15 | N20 | 127.2° | 11.4° |
| N10 | C13 | C15 | C16 | 55.8° | 168.9° |
| C13 | N10 | C11 | H4 | 120.9° | 111.5° |
| C13 | N10 | C11 | H5 | 0.5° | 8.9° |
| C13 | N10 | C9 | H13 | 121.3° | 111.5° |
| C13 | N10 | C9 | H14 | 0.5° | 9.1° |
| N10 | C9 | C8 | H13 | 119.6° | 119.8° |
| N10 | C9 | C8 | H14 | 119.6° | 119.7° |
| C9 | N10 | C13 | C15 | 0.1° | 179.2° |
| N10 | C9 | C8 | H2 | 60.8° | 173.8° |
| N10 | C9 | C8 | H3 | 179.4° | 66.2° |
| C9 | N10 | C11 | H4 | 58.2° | 68.5° |
| C9 | N10 | C11 | H5 | 178.7° | 171.1° |
| N10 | C9 | H13 | H14 | 121.1° | 120.5° |
| C9 | C8 | H2 | H3 | 119.7° | 120.0° |
| C8 | C9 | H13 | H14 | 121.2° | 120.4° |
| C13 | C15 | N20 | C16 | 177.1° | 179.7° |
| C13 | C15 | N20 | C19 | 179.1° | 179.7° |
| C13 | C15 | C16 | C17 | 179.1° | 179.7° |
| C13 | C15 | C16 | H8 | 0.9° | 0.2° |
| N20 | C15 | C16 | C17 | 2.1° | 0.0° |
| C15 | N20 | C19 | N18 | 1.1° | 0.1° |
| N20 | C15 | C16 | H8 | 177.9° | 179.9° |
| C15 | N20 | C19 | H10 | 178.9° | 180.0° |
| C16 | C15 | N20 | C19 | 2.0° | 0.1° |
| C15 | C16 | C17 | H8 | 180.0° | 180.0° |
| C15 | C16 | C17 | N18 | 1.2° | 0.0° |
| C15 | C16 | C17 | H9 | 178.8° | 180.0° |
| N20 | C19 | N18 | H10 | 180.0° | 179.9° |
| N20 | C19 | N18 | C17 | 0.1° | 0.1° |
| C16 | C17 | N18 | C19 | 0.2° | 0.1° |
| C16 | C17 | N18 | H9 | 180.0° | 179.9° |
| C19 | N18 | C17 | H9 | 179.8° | 180.0° |
| N18 | C17 | C16 | H8 | 178.8° | 179.9° |
| C17 | N18 | C19 | H10 | 179.9° | 180.0° |
| H2 | C8 | C9 | H13 | 179.6° | 54.1° |
| H2 | C8 | C9 | H14 | 58.8° | 66.5° |
| H3 | C8 | C9 | H13 | 59.8° | 174.1° |
| H3 | C8 | C9 | H14 | 61.0° | 53.5° |
| H4 | C11 | C12 | H6 | 178.5° | 54.1° |
| H4 | C11 | C12 | H7 | 58.8° | 174.1° |
| H5 | C11 | C12 | H6 | 58.0° | 66.4° |
| H5 | C11 | C12 | H7 | 61.7° | 53.6° |
| H8 | C16 | C17 | H9 | 1.2° | 0.0° |
| H16 | C25 | C26 | H17 | 0.1° | 0.0° |
| H18 | C28 | C29 | H19 | 0.4° | 0.4° |
