A1C8L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | C12 | sing | 1.48Å | 1.50Å | |
| C12 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| O1 | S1 | doub | 1.42Å | 1.46Å | |
| C1 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | CL1 | sing | 1.74Å | 1.76Å | |
| C2 | N1 | sing | 1.40Å | 1.39Å | |
| O3 | S1 | doub | 1.42Å | 1.45Å | |
| S1 | O2 | sing | 1.52Å | 1.46Å | |
| S1 | C3 | sing | 1.76Å | 1.85Å | |
| N1 | C3 | sing | 1.36Å | 1.41Å | Aromatic |
| N1 | C9 | sing | 1.38Å | 1.36Å | Aromatic |
| C3 | N2 | doub | 1.30Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C4 | sing | 1.41Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| N2 | C4 | sing | 1.36Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | CL2 | sing | 1.74Å | 1.74Å | |
| C7 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 119.8° | 120.2° |
| C17 | C18 | C19 | 120.2° | 120.2° |
| C18 | C17 | H17 | 120.1° | 119.9° |
| C17 | C18 | H18 | 119.9° | 119.9° |
| C17 | C16 | C15 | 120.0° | 120.2° |
| C17 | C16 | H16 | 120.0° | 119.9° |
| C16 | C17 | H17 | 120.1° | 119.9° |
| C18 | C19 | C14 | 121.3° | 119.9° |
| C18 | C19 | H19 | 119.4° | 120.0° |
| C19 | C18 | H18 | 119.9° | 119.9° |
| C16 | C15 | C14 | 121.6° | 119.9° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C16 | C15 | H15 | 119.2° | 120.1° |
| C19 | C14 | C15 | 117.2° | 119.8° |
| C19 | C14 | C12 | 121.6° | 120.1° |
| C14 | C19 | H19 | 119.4° | 120.1° |
| C15 | C14 | C12 | 121.2° | 120.1° |
| C14 | C15 | H15 | 119.2° | 120.1° |
| C14 | C12 | C11 | 121.1° | 120.1° |
| C14 | C12 | C13 | 121.4° | 120.1° |
| C11 | C12 | C13 | 117.3° | 119.8° |
| C12 | C11 | C10 | 121.3° | 120.0° |
| C12 | C11 | H11 | 119.3° | 120.0° |
| C12 | C13 | C1 | 121.6° | 120.0° |
| C12 | C13 | H13 | 119.2° | 119.9° |
| C11 | C10 | C2 | 120.4° | 120.1° |
| C11 | C10 | H10 | 119.8° | 120.0° |
| C10 | C11 | H11 | 119.4° | 120.0° |
| C13 | C1 | C2 | 119.6° | 120.1° |
| C13 | C1 | CL1 | 119.0° | 120.0° |
| C1 | C13 | H13 | 119.2° | 120.1° |
| C10 | C2 | C1 | 119.7° | 120.0° |
| C10 | C2 | N1 | 118.3° | 120.0° |
| C2 | C10 | H10 | 119.8° | 119.9° |
| O1 | S1 | O3 | 112.4° | 123.1° |
| O1 | S1 | O2 | 118.3° | 106.4° |
| O1 | S1 | C3 | 105.1° | 106.5° |
| C2 | C1 | CL1 | 121.3° | 119.9° |
| C1 | C2 | N1 | 121.2° | 120.0° |
| C2 | N1 | C3 | 125.6° | 126.4° |
| C2 | N1 | C9 | 125.0° | 126.3° |
| O3 | S1 | O2 | 114.0° | 106.4° |
| O3 | S1 | C3 | 100.5° | 106.4° |
| O2 | S1 | C3 | 104.1° | 107.2° |
| S1 | O2 | H1 | 109.5° | 114.0° |
| S1 | C3 | N1 | 123.6° | 125.0° |
| S1 | C3 | N2 | 121.2° | 125.0° |
| C3 | N1 | C9 | 101.8° | 107.3° |
| N1 | C3 | N2 | 115.0° | 110.0° |
| N1 | C9 | C8 | 127.2° | 134.1° |
| N1 | C9 | C4 | 109.6° | 106.0° |
| C3 | N2 | C4 | 99.8° | 109.7° |
| C8 | C9 | C4 | 123.2° | 120.0° |
| C9 | C8 | C7 | 117.1° | 119.8° |
| C9 | C8 | H8 | 121.4° | 120.1° |
| C9 | C4 | N2 | 113.7° | 107.0° |
| C9 | C4 | C5 | 120.4° | 119.5° |
| C8 | C7 | CL2 | 119.4° | 119.8° |
| C8 | C7 | C6 | 120.5° | 120.4° |
| C7 | C8 | H8 | 121.5° | 120.1° |
| N2 | C4 | C5 | 125.9° | 133.5° |
| C4 | C5 | C6 | 118.2° | 119.7° |
| C4 | C5 | H5 | 120.9° | 120.2° |
| CL2 | C7 | C6 | 120.1° | 119.8° |
| C7 | C6 | C5 | 120.6° | 120.5° |
| C7 | C6 | H6 | 119.7° | 119.7° |
| C6 | C5 | H5 | 120.9° | 120.1° |
| C5 | C6 | H6 | 119.7° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.3° | 0.1° |
| C17 | C18 | C19 | C14 | 0.2° | 0.3° |
| C18 | C17 | C16 | H16 | 179.7° | 179.8° |
| C17 | C18 | C19 | H19 | 179.8° | 179.7° |
| C16 | C17 | C18 | C19 | 0.4° | 0.1° |
| C17 | C16 | C15 | H16 | 180.0° | 179.7° |
| C17 | C16 | C15 | C14 | 0.0° | 0.3° |
| C17 | C16 | C15 | H15 | 180.0° | 179.7° |
| C16 | C17 | C18 | H18 | 179.6° | 180.0° |
| C18 | C19 | C14 | H19 | 180.0° | 180.0° |
| C18 | C19 | C14 | C15 | 0.1° | 0.5° |
| C18 | C19 | C14 | C12 | 176.1° | 180.0° |
| C19 | C18 | C17 | H17 | 179.6° | 180.0° |
| C16 | C15 | C14 | C19 | 0.2° | 0.5° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | C12 | 176.0° | 180.0° |
| C15 | C16 | C17 | H17 | 179.7° | 180.0° |
| C19 | C14 | C15 | C12 | 176.3° | 179.5° |
| C19 | C14 | C12 | C11 | 155.4° | 0.5° |
| C19 | C14 | C12 | C13 | 30.1° | 179.3° |
| C19 | C14 | C15 | H15 | 179.8° | 179.5° |
| C14 | C19 | C18 | H18 | 179.8° | 179.8° |
| C15 | C14 | C12 | C11 | 28.5° | 180.0° |
| C15 | C14 | C12 | C13 | 146.0° | 0.2° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C14 | C19 | H19 | 179.9° | 179.5° |
| C14 | C12 | C11 | C13 | 174.7° | 179.8° |
| C14 | C12 | C11 | C10 | 170.5° | 180.0° |
| C14 | C12 | C13 | C1 | 170.1° | 179.7° |
| C14 | C12 | C11 | H11 | 9.5° | 0.1° |
| C14 | C12 | C13 | H13 | 9.9° | 0.2° |
| C12 | C14 | C15 | H15 | 4.0° | 0.0° |
| C12 | C14 | C19 | H19 | 3.9° | 0.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | C1 | 4.6° | 0.4° |
| C12 | C11 | C10 | C2 | 1.2° | 0.1° |
| C12 | C11 | C10 | H10 | 178.8° | 180.0° |
| C11 | C12 | C13 | H13 | 175.4° | 180.0° |
| C13 | C12 | C11 | C10 | 4.2° | 0.1° |
| C12 | C13 | C1 | H13 | 180.0° | 179.5° |
| C12 | C13 | C1 | C2 | 2.0° | 0.5° |
| C12 | C13 | C1 | CL1 | 173.8° | 179.8° |
| C13 | C12 | C11 | H11 | 175.8° | 179.8° |
| C11 | C10 | C2 | H10 | 180.0° | 180.0° |
| C11 | C10 | C2 | C1 | 1.5° | 0.0° |
| C11 | C10 | C2 | N1 | 167.5° | 179.9° |
| C13 | C1 | C2 | C10 | 1.2° | 0.3° |
| C13 | C1 | C2 | CL1 | 175.7° | 179.7° |
| C13 | C1 | C2 | N1 | 167.6° | 179.8° |
| C10 | C2 | C1 | N1 | 168.7° | 180.0° |
| C10 | C2 | C1 | CL1 | 176.8° | 180.0° |
| C10 | C2 | N1 | C3 | 116.5° | 90.0° |
| C10 | C2 | N1 | C9 | 99.6° | 90.1° |
| C2 | C10 | C11 | H11 | 178.8° | 180.0° |
| O1 | S1 | O3 | O2 | 138.0° | 122.9° |
| O1 | S1 | O3 | C3 | 111.3° | 123.0° |
| O1 | S1 | O2 | C3 | 116.1° | 113.6° |
| O1 | S1 | C3 | N1 | 41.4° | 96.7° |
| O1 | S1 | C3 | N2 | 144.4° | 83.6° |
| O1 | S1 | O2 | H1 | 135.4° | 66.3° |
| C1 | C2 | N1 | C3 | 74.6° | 90.0° |
| C1 | C2 | N1 | C9 | 69.3° | 90.0° |
| C1 | C2 | C10 | H10 | 178.5° | 180.0° |
| C2 | C1 | C13 | H13 | 178.0° | 180.0° |
| CL1 | C1 | C2 | N1 | 8.1° | 0.0° |
| CL1 | C1 | C13 | H13 | 6.2° | 0.2° |
| C2 | N1 | C3 | S1 | 30.7° | 0.3° |
| C2 | N1 | C3 | C9 | 150.5° | 179.9° |
| C2 | N1 | C3 | N2 | 154.7° | 180.0° |
| C2 | N1 | C9 | C8 | 27.6° | 0.0° |
| C2 | N1 | C9 | C4 | 154.3° | 180.0° |
| N1 | C2 | C10 | H10 | 12.5° | 0.0° |
| O3 | S1 | O2 | C3 | 108.5° | 113.5° |
| O3 | S1 | C3 | N1 | 75.4° | 36.2° |
| O3 | S1 | C3 | N2 | 98.8° | 143.5° |
| O3 | S1 | O2 | H1 | 0.0° | 66.5° |
| O2 | S1 | C3 | N1 | 166.4° | 149.7° |
| O2 | S1 | C3 | N2 | 19.4° | 30.0° |
| S1 | C3 | N1 | N2 | 174.5° | 179.8° |
| S1 | C3 | N1 | C9 | 178.8° | 179.8° |
| S1 | C3 | N2 | C4 | 177.8° | 179.7° |
| C3 | S1 | O2 | H1 | 108.5° | 180.0° |
| C3 | N1 | C9 | C8 | 178.3° | 180.0° |
| C3 | N1 | C9 | C4 | 3.6° | 0.0° |
| N1 | C3 | N2 | C4 | 3.1° | 0.0° |
| C9 | N1 | C3 | N2 | 4.3° | 0.0° |
| N1 | C9 | C8 | C4 | 177.8° | 180.0° |
| N1 | C9 | C8 | C7 | 177.3° | 179.9° |
| N1 | C9 | C4 | N2 | 2.1° | 0.0° |
| N1 | C9 | C4 | C5 | 177.5° | 180.0° |
| N1 | C9 | C8 | H8 | 2.7° | 0.0° |
| C3 | N2 | C4 | C9 | 0.6° | 0.0° |
| C3 | N2 | C4 | C5 | 179.8° | 180.0° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C8 | C9 | C4 | N2 | 179.8° | 180.0° |
| C8 | C9 | C4 | C5 | 0.6° | 0.0° |
| C9 | C8 | C7 | CL2 | 178.6° | 179.9° |
| C9 | C8 | C7 | C6 | 0.1° | 0.1° |
| C4 | C9 | C8 | C7 | 0.5° | 0.1° |
| C9 | C4 | N2 | C5 | 179.6° | 180.0° |
| C9 | C4 | C5 | C6 | 0.3° | 0.0° |
| C9 | C4 | C5 | H5 | 179.7° | 180.0° |
| C4 | C9 | C8 | H8 | 179.5° | 180.0° |
| C8 | C7 | CL2 | C6 | 178.7° | 179.9° |
| C8 | C7 | C6 | C5 | 0.2° | 0.1° |
| C8 | C7 | C6 | H6 | 179.8° | 179.9° |
| N2 | C4 | C5 | C6 | 179.8° | 180.0° |
| N2 | C4 | C5 | H5 | 0.2° | 0.1° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| CL2 | C7 | C6 | C5 | 178.9° | 180.0° |
| CL2 | C7 | C6 | H6 | 1.1° | 0.0° |
| CL2 | C7 | C8 | H8 | 1.4° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 179.9° | 179.9° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H16 | C16 | C15 | H15 | 0.0° | 0.0° |
| H16 | C16 | C17 | H17 | 0.3° | 0.3° |
| H10 | C10 | C11 | H11 | 1.2° | 0.0° |
| H17 | C17 | C18 | H18 | 0.4° | 0.0° |
| H19 | C19 | C18 | H18 | 0.2° | 0.2° |
