A1B7T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL25 | C24 | sing | 1.74Å | 1.74Å | |
| O9 | C8 | doub | 1.22Å | 1.22Å | |
| CL26 | C23 | sing | 1.74Å | 1.71Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | N10 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | N10 | sing | 1.35Å | 1.34Å | |
| C8 | C6 | sing | 1.48Å | 1.49Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| N10 | C11 | sing | 1.46Å | 1.47Å | |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | F27 | sing | 1.35Å | 1.36Å | |
| C4 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | F1 | sing | 1.35Å | 1.36Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C17 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | N16 | sing | 1.32Å | 1.34Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| N16 | C15 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL25 | C24 | C23 | 120.3° | 120.0° |
| CL25 | C24 | C19 | 119.5° | 120.0° |
| O9 | C8 | N10 | 121.7° | 120.0° |
| O9 | C8 | C6 | 119.2° | 120.0° |
| CL26 | C23 | C24 | 120.8° | 120.0° |
| CL26 | C23 | C22 | 118.3° | 120.0° |
| C23 | C24 | C19 | 120.2° | 120.0° |
| C24 | C23 | C22 | 120.9° | 120.0° |
| C24 | C19 | C18 | 122.9° | 120.0° |
| C24 | C19 | C20 | 118.3° | 120.0° |
| C23 | C22 | C21 | 119.3° | 120.0° |
| C23 | C22 | H8 | 120.3° | 120.0° |
| C19 | C18 | N10 | 114.7° | 109.5° |
| C18 | C19 | C20 | 118.8° | 120.0° |
| C19 | C18 | H13 | 108.2° | 109.5° |
| C19 | C18 | H14 | 108.2° | 109.5° |
| C18 | N10 | C8 | 119.4° | 120.0° |
| C18 | N10 | C11 | 116.3° | 120.0° |
| N10 | C18 | H13 | 108.1° | 109.5° |
| N10 | C18 | H14 | 108.1° | 109.4° |
| C19 | C20 | C21 | 121.1° | 120.1° |
| C19 | C20 | H6 | 119.4° | 120.0° |
| N10 | C8 | C6 | 119.0° | 120.0° |
| C8 | N10 | C11 | 124.0° | 120.0° |
| C8 | C6 | C5 | 118.7° | 120.2° |
| C8 | C6 | C7 | 121.3° | 120.1° |
| C22 | C21 | C20 | 120.3° | 120.0° |
| C22 | C21 | H7 | 119.9° | 119.9° |
| C21 | C22 | H8 | 120.4° | 120.0° |
| N10 | C11 | C12 | 112.5° | 109.5° |
| N10 | C11 | H10 | 108.7° | 109.5° |
| N10 | C11 | H11 | 108.7° | 109.5° |
| C21 | C20 | H6 | 119.5° | 119.9° |
| C20 | C21 | H7 | 119.9° | 120.0° |
| C5 | C6 | C7 | 119.9° | 119.7° |
| C6 | C5 | C4 | 118.4° | 119.9° |
| C6 | C5 | H1 | 120.8° | 120.1° |
| C6 | C7 | C2 | 118.4° | 119.9° |
| C6 | C7 | H2 | 120.8° | 120.1° |
| C5 | C4 | F27 | 118.1° | 120.0° |
| C5 | C4 | C3 | 123.7° | 120.1° |
| C4 | C5 | H1 | 120.8° | 120.0° |
| C7 | C2 | C3 | 123.7° | 120.1° |
| C7 | C2 | F1 | 118.1° | 120.0° |
| C2 | C7 | H2 | 120.8° | 120.0° |
| F27 | C4 | C3 | 118.2° | 119.9° |
| C4 | C3 | C2 | 116.0° | 120.3° |
| C4 | C3 | H9 | 122.0° | 119.9° |
| C3 | C2 | F1 | 118.2° | 119.9° |
| C2 | C3 | H9 | 122.0° | 119.9° |
| C11 | C12 | C17 | 120.7° | 120.5° |
| C11 | C12 | C13 | 122.5° | 120.4° |
| C12 | C11 | H10 | 108.7° | 109.4° |
| C12 | C11 | H11 | 108.7° | 109.5° |
| C12 | C17 | N16 | 124.4° | 120.8° |
| C17 | C12 | C13 | 116.8° | 119.1° |
| C12 | C17 | H5 | 117.8° | 119.6° |
| C17 | N16 | C15 | 117.1° | 121.7° |
| N16 | C17 | H5 | 117.8° | 119.6° |
| C12 | C13 | C14 | 120.1° | 118.4° |
| C12 | C13 | H3 | 120.0° | 120.8° |
| N16 | C15 | C14 | 123.3° | 120.8° |
| N16 | C15 | H4 | 118.4° | 119.6° |
| C13 | C14 | C15 | 118.3° | 119.2° |
| C14 | C13 | H3 | 120.0° | 120.8° |
| C13 | C14 | H12 | 120.9° | 120.4° |
| C14 | C15 | H4 | 118.3° | 119.6° |
| C15 | C14 | H12 | 120.8° | 120.4° |
| H10 | C11 | H11 | 109.4° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL25 | C24 | C23 | CL26 | 3.0° | 0.7° |
| CL25 | C24 | C23 | C19 | 179.2° | 179.3° |
| CL25 | C24 | C23 | C22 | 179.3° | 180.0° |
| CL25 | C24 | C19 | C18 | 0.9° | 0.8° |
| CL25 | C24 | C19 | C20 | 179.3° | 179.7° |
| O9 | C8 | N10 | C18 | 8.9° | 173.5° |
| O9 | C8 | N10 | C6 | 178.6° | 180.0° |
| O9 | C8 | N10 | C11 | 165.2° | 6.5° |
| O9 | C8 | C6 | C5 | 56.6° | 45.2° |
| O9 | C8 | C6 | C7 | 119.8° | 134.7° |
| CL26 | C23 | C24 | C22 | 177.7° | 179.2° |
| CL26 | C23 | C24 | C19 | 177.8° | 180.0° |
| CL26 | C23 | C22 | C21 | 177.9° | 179.8° |
| CL26 | C23 | C22 | H8 | 2.1° | 0.3° |
| C23 | C24 | C19 | C18 | 178.3° | 180.0° |
| C23 | C24 | C19 | C20 | 0.1° | 0.5° |
| C24 | C23 | C22 | C21 | 0.2° | 0.6° |
| C24 | C23 | C22 | H8 | 179.9° | 179.6° |
| C19 | C24 | C23 | C22 | 0.1° | 0.8° |
| C24 | C19 | C18 | C20 | 178.4° | 179.5° |
| C24 | C19 | C18 | N10 | 73.0° | 124.0° |
| C24 | C19 | C20 | C21 | 0.2° | 0.0° |
| C24 | C19 | C20 | H6 | 179.8° | 179.7° |
| C24 | C19 | C18 | H13 | 47.7° | 3.9° |
| C24 | C19 | C18 | H14 | 166.2° | 116.1° |
| C23 | C22 | C21 | H8 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C23 | C22 | C21 | H7 | 179.8° | 180.0° |
| C19 | C18 | N10 | H13 | 120.8° | 120.0° |
| C19 | C18 | N10 | H14 | 120.8° | 120.0° |
| C19 | C18 | N10 | C8 | 120.9° | 129.3° |
| C19 | C18 | N10 | C11 | 64.6° | 50.7° |
| C18 | C19 | C20 | C21 | 178.3° | 179.5° |
| C18 | C19 | C20 | H6 | 1.7° | 0.2° |
| C19 | C18 | H13 | H14 | 117.6° | 120.0° |
| N10 | C18 | C19 | C20 | 108.6° | 55.5° |
| C18 | N10 | C8 | C11 | 174.1° | 180.0° |
| C18 | N10 | C8 | C6 | 172.5° | 6.5° |
| C18 | N10 | C11 | C12 | 70.5° | 89.0° |
| C18 | N10 | C11 | H10 | 49.9° | 31.0° |
| C18 | N10 | C11 | H11 | 169.0° | 151.0° |
| N10 | C18 | H13 | H14 | 117.6° | 120.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C19 | C20 | C21 | H6 | 180.0° | 179.7° |
| C19 | C20 | C21 | H7 | 179.8° | 179.7° |
| C20 | C19 | C18 | H13 | 130.7° | 175.6° |
| C20 | C19 | C18 | H14 | 12.2° | 64.4° |
| N10 | C8 | C6 | C5 | 122.0° | 134.7° |
| N10 | C8 | C6 | C7 | 61.5° | 45.3° |
| C8 | N10 | C11 | C12 | 103.7° | 91.1° |
| C8 | N10 | C11 | H10 | 135.8° | 149.0° |
| C8 | N10 | C11 | H11 | 16.8° | 29.0° |
| C8 | N10 | C18 | H13 | 0.1° | 110.7° |
| C8 | N10 | C18 | H14 | 118.3° | 9.3° |
| C6 | C8 | N10 | C11 | 13.4° | 173.5° |
| C8 | C6 | C5 | C7 | 176.5° | 180.0° |
| C8 | C6 | C5 | C4 | 176.2° | 180.0° |
| C8 | C6 | C7 | C2 | 176.1° | 180.0° |
| C8 | C6 | C5 | H1 | 3.8° | 0.0° |
| C8 | C6 | C7 | H2 | 3.9° | 0.1° |
| C22 | C21 | C20 | H7 | 180.0° | 180.0° |
| C22 | C21 | C20 | H6 | 179.7° | 180.0° |
| N10 | C11 | C12 | H10 | 120.5° | 120.0° |
| N10 | C11 | C12 | H11 | 120.5° | 120.0° |
| N10 | C11 | C12 | C17 | 60.2° | 90.0° |
| N10 | C11 | C12 | C13 | 121.3° | 90.0° |
| N10 | C11 | H10 | H11 | 118.6° | 120.0° |
| C11 | N10 | C18 | H13 | 174.7° | 69.3° |
| C11 | N10 | C18 | H14 | 56.2° | 170.7° |
| C20 | C21 | C22 | H8 | 179.8° | 179.9° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.4° | 0.0° |
| C6 | C5 | C4 | F27 | 179.6° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C5 | C6 | C7 | H2 | 179.6° | 179.9° |
| C7 | C6 | C5 | C4 | 0.3° | 0.0° |
| C6 | C7 | C2 | H2 | 180.0° | 179.9° |
| C6 | C7 | C2 | C3 | 0.3° | 0.2° |
| C6 | C7 | C2 | F1 | 178.2° | 180.0° |
| C7 | C6 | C5 | H1 | 179.7° | 180.0° |
| C5 | C4 | F27 | C3 | 179.7° | 179.7° |
| C5 | C4 | C3 | C2 | 0.0° | 0.5° |
| C5 | C4 | C3 | H9 | 180.0° | 179.7° |
| C7 | C2 | C3 | C4 | 0.1° | 0.5° |
| C7 | C2 | C3 | F1 | 178.5° | 179.8° |
| C7 | C2 | C3 | H9 | 179.9° | 179.7° |
| F27 | C4 | C3 | C2 | 179.7° | 179.8° |
| F27 | C4 | C5 | H1 | 0.4° | 0.1° |
| F27 | C4 | C3 | H9 | 0.3° | 0.0° |
| C4 | C3 | C2 | H9 | 180.0° | 179.8° |
| C4 | C3 | C2 | F1 | 178.4° | 179.7° |
| C3 | C4 | C5 | H1 | 179.9° | 179.7° |
| C3 | C2 | C7 | H2 | 179.8° | 179.8° |
| F1 | C2 | C7 | H2 | 1.8° | 0.1° |
| F1 | C2 | C3 | H9 | 1.6° | 0.1° |
| C11 | C12 | C17 | C13 | 178.6° | 179.9° |
| C11 | C12 | C17 | N16 | 178.6° | 179.4° |
| C11 | C12 | C13 | C14 | 178.6° | 180.0° |
| C11 | C12 | C13 | H3 | 1.4° | 0.3° |
| C11 | C12 | C17 | H5 | 1.3° | 0.0° |
| C12 | C11 | H10 | H11 | 118.6° | 120.0° |
| C12 | C17 | N16 | H5 | 180.0° | 179.5° |
| C12 | C17 | N16 | C15 | 0.0° | 0.8° |
| C17 | C12 | C13 | C14 | 0.0° | 0.0° |
| C17 | C12 | C13 | H3 | 179.9° | 179.7° |
| C17 | C12 | C11 | H10 | 179.3° | 30.0° |
| C17 | C12 | C11 | H11 | 60.3° | 150.0° |
| N16 | C17 | C12 | C13 | 0.0° | 0.5° |
| C17 | N16 | C15 | C14 | 0.1° | 0.6° |
| C17 | N16 | C15 | H4 | 179.9° | 179.5° |
| C12 | C13 | C14 | H3 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.1° | 0.3° |
| C13 | C12 | C17 | H5 | 179.9° | 180.0° |
| C13 | C12 | C11 | H10 | 0.8° | 150.1° |
| C13 | C12 | C11 | H11 | 118.3° | 30.1° |
| C12 | C13 | C14 | H12 | 179.9° | 179.7° |
| N16 | C15 | C14 | C13 | 0.1° | 0.0° |
| N16 | C15 | C14 | H4 | 180.0° | 179.9° |
| C15 | N16 | C17 | H5 | 179.9° | 179.7° |
| N16 | C15 | C14 | H12 | 179.9° | 180.0° |
| C13 | C14 | C15 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | H4 | 179.9° | 180.0° |
| C15 | C14 | C13 | H3 | 179.9° | 179.9° |
| H3 | C13 | C14 | H12 | 0.1° | 0.0° |
| H4 | C15 | C14 | H12 | 0.1° | 0.1° |
| H6 | C20 | C21 | H7 | 0.3° | 0.0° |
| H7 | C21 | C22 | H8 | 0.2° | 0.1° |
