A1CF9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.46Å | |
| O1 | C2 | sing | 1.36Å | 1.39Å | |
| O2 | C17 | doub | 1.21Å | 1.31Å | |
| C2 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| O3 | C17 | sing | 1.34Å | 1.29Å | |
| C17 | C16 | sing | 1.51Å | 1.47Å | |
| C19 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C16 | sing | 1.53Å | 1.49Å | |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C9 | C16 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C16 | C18 | sing | 1.51Å | 1.46Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| O4 | C18 | doub | 1.21Å | 1.27Å | |
| C18 | O5 | sing | 1.34Å | 1.25Å | |
| C10 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å | |
| O5 | H17 | sing | 0.97Å | 0.95Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 116.5° | 117.0° |
| O1 | C1 | H8 | 109.5° | 109.5° |
| O1 | C1 | H9 | 109.4° | 109.5° |
| O1 | C1 | H10 | 109.5° | 109.5° |
| O1 | C2 | C19 | 123.4° | 120.0° |
| O1 | C2 | C3 | 116.7° | 120.1° |
| O2 | C17 | O3 | 127.8° | 120.0° |
| O2 | C17 | C16 | 117.5° | 120.0° |
| C19 | C2 | C3 | 119.7° | 119.9° |
| C2 | C19 | C6 | 120.6° | 119.9° |
| C2 | C19 | H18 | 119.7° | 120.1° |
| C2 | C3 | C4 | 119.8° | 119.9° |
| C2 | C3 | H11 | 120.1° | 120.0° |
| O3 | C17 | C16 | 114.7° | 120.0° |
| C17 | O3 | H16 | 109.5° | 117.0° |
| C17 | C16 | C8 | 118.0° | 117.5° |
| C17 | C16 | C9 | 114.6° | 117.5° |
| C17 | C16 | C18 | 111.5° | 115.6° |
| C19 | C6 | C7 | 122.1° | 120.0° |
| C19 | C6 | C5 | 118.5° | 120.0° |
| C6 | C19 | H18 | 119.7° | 120.0° |
| C3 | C4 | C5 | 120.3° | 120.1° |
| C3 | C4 | H1 | 119.8° | 120.0° |
| C4 | C3 | H11 | 120.1° | 120.1° |
| C9 | C8 | C16 | 61.1° | 60.0° |
| C9 | C8 | C7 | 117.8° | 117.5° |
| C8 | C9 | C16 | 58.3° | 60.0° |
| C8 | C9 | C10 | 129.8° | 117.5° |
| C9 | C8 | H5 | 114.4° | 117.5° |
| C8 | C9 | H12 | 112.5° | 117.5° |
| C16 | C8 | C7 | 123.0° | 117.5° |
| C8 | C16 | C9 | 60.6° | 60.0° |
| C8 | C16 | C18 | 110.6° | 117.5° |
| C16 | C8 | H5 | 115.0° | 117.5° |
| C8 | C7 | C6 | 109.6° | 109.5° |
| C8 | C7 | H3 | 109.4° | 109.4° |
| C8 | C7 | H4 | 109.4° | 109.5° |
| C7 | C8 | H5 | 114.8° | 115.5° |
| C16 | C9 | C10 | 119.3° | 117.5° |
| C9 | C16 | C18 | 130.7° | 117.5° |
| C16 | C9 | H12 | 112.4° | 117.5° |
| C9 | C10 | C11 | 115.9° | 120.0° |
| C9 | C10 | C15 | 126.6° | 120.0° |
| C10 | C9 | H12 | 112.9° | 115.5° |
| C16 | C18 | O4 | 119.6° | 120.0° |
| C16 | C18 | O5 | 117.3° | 120.0° |
| C7 | C6 | C5 | 119.4° | 120.0° |
| C6 | C7 | H3 | 109.4° | 109.4° |
| C6 | C7 | H4 | 109.4° | 109.5° |
| C6 | C5 | C4 | 121.0° | 120.1° |
| C6 | C5 | H2 | 119.5° | 119.9° |
| C5 | C4 | H1 | 119.8° | 119.9° |
| C4 | C5 | H2 | 119.5° | 119.9° |
| C10 | C11 | C12 | 121.2° | 120.0° |
| C11 | C10 | C15 | 117.4° | 120.0° |
| C10 | C11 | H13 | 119.4° | 120.0° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C12 | C11 | H13 | 119.4° | 120.0° |
| C11 | C12 | H14 | 119.9° | 120.0° |
| O4 | C18 | O5 | 122.7° | 120.0° |
| C18 | O5 | H17 | 109.5° | 117.0° |
| C10 | C15 | C14 | 120.2° | 120.0° |
| C10 | C15 | H7 | 119.9° | 120.0° |
| C12 | C13 | C14 | 119.7° | 120.0° |
| C12 | C13 | H6 | 120.1° | 120.0° |
| C13 | C12 | H14 | 119.9° | 120.0° |
| C15 | C14 | C13 | 121.2° | 120.0° |
| C14 | C15 | H7 | 119.9° | 120.1° |
| C15 | C14 | H15 | 119.4° | 120.0° |
| C14 | C13 | H6 | 120.2° | 120.0° |
| C13 | C14 | H15 | 119.4° | 120.0° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.4° |
| H9 | C1 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C19 | 69.7° | 180.0° |
| C1 | O1 | C2 | C3 | 105.5° | 0.8° |
| O1 | C1 | H8 | H9 | 120.0° | 120.0° |
| O1 | C1 | H8 | H10 | 120.0° | 120.0° |
| O1 | C1 | H9 | H10 | 120.0° | 120.0° |
| O1 | C2 | C19 | C3 | 175.0° | 179.3° |
| O1 | C2 | C19 | C6 | 175.7° | 180.0° |
| O1 | C2 | C3 | C4 | 175.9° | 179.8° |
| C2 | O1 | C1 | H8 | 180.0° | 60.0° |
| C2 | O1 | C1 | H9 | 60.0° | 60.0° |
| C2 | O1 | C1 | H10 | 60.0° | 180.0° |
| O1 | C2 | C3 | H11 | 4.1° | 0.7° |
| O1 | C2 | C19 | H18 | 4.4° | 0.7° |
| O2 | C17 | O3 | C16 | 178.5° | 180.0° |
| O2 | C17 | C16 | C8 | 45.0° | 0.0° |
| O2 | C17 | C16 | C9 | 113.4° | 68.6° |
| O2 | C17 | C16 | C18 | 84.7° | 145.6° |
| O2 | C17 | O3 | H16 | 0.0° | 0.1° |
| C2 | C19 | C6 | H18 | 180.0° | 179.3° |
| C19 | C2 | C3 | C4 | 0.5° | 0.5° |
| C2 | C19 | C6 | C7 | 177.8° | 179.5° |
| C2 | C19 | C6 | C5 | 0.1° | 0.5° |
| C19 | C2 | C3 | H11 | 179.5° | 180.0° |
| C3 | C2 | C19 | C6 | 0.7° | 0.7° |
| C2 | C3 | C4 | H11 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | H1 | 179.6° | 179.7° |
| C3 | C2 | C19 | H18 | 179.4° | 180.0° |
| O3 | C17 | C16 | C8 | 136.4° | 180.0° |
| O3 | C17 | C16 | C9 | 68.0° | 111.4° |
| O3 | C17 | C16 | C18 | 93.9° | 34.3° |
| C17 | C16 | C9 | C8 | 109.6° | 107.5° |
| C17 | C16 | C8 | C18 | 130.1° | 145.0° |
| C17 | C16 | C8 | C7 | 150.0° | 145.0° |
| C17 | C16 | C9 | C18 | 157.6° | 145.1° |
| C17 | C16 | C9 | C10 | 129.4° | 145.0° |
| C17 | C16 | C18 | O4 | 6.6° | 87.6° |
| C17 | C16 | C18 | O5 | 180.0° | 92.3° |
| C17 | C16 | C8 | H5 | 1.3° | 0.0° |
| C17 | C16 | C9 | H12 | 6.1° | 0.0° |
| C16 | C17 | O3 | H16 | 178.4° | 180.0° |
| C19 | C6 | C7 | C8 | 13.7° | 90.0° |
| C19 | C6 | C7 | C5 | 177.7° | 180.0° |
| C19 | C6 | C5 | C4 | 1.0° | 0.0° |
| C19 | C6 | C5 | H2 | 179.0° | 179.9° |
| C19 | C6 | C7 | H3 | 133.7° | 30.0° |
| C19 | C6 | C7 | H4 | 106.4° | 150.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.3° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | H2 | 178.8° | 179.8° |
| C9 | C8 | C16 | C7 | 106.0° | 107.5° |
| C9 | C8 | C16 | H5 | 105.3° | 107.5° |
| C9 | C8 | C7 | H5 | 139.2° | 145.7° |
| C8 | C9 | C16 | C10 | 121.0° | 107.5° |
| C8 | C9 | C16 | H12 | 103.4° | 107.5° |
| C8 | C9 | C10 | H12 | 153.1° | 145.6° |
| C9 | C8 | C16 | C18 | 125.9° | 107.5° |
| C9 | C8 | C7 | C6 | 100.1° | 176.3° |
| C8 | C9 | C10 | C11 | 156.2° | 49.0° |
| C8 | C9 | C10 | C15 | 27.5° | 131.2° |
| C9 | C8 | C7 | H3 | 19.9° | 63.8° |
| C9 | C8 | C7 | H4 | 139.9° | 56.2° |
| C16 | C8 | C7 | H5 | 148.8° | 145.7° |
| C16 | C8 | C7 | C6 | 172.1° | 115.1° |
| C8 | C16 | C18 | O4 | 126.9° | 126.7° |
| C8 | C16 | C18 | O5 | 46.6° | 53.4° |
| C16 | C8 | C7 | H3 | 52.0° | 4.9° |
| C16 | C8 | C7 | H4 | 67.9° | 124.9° |
| C7 | C8 | C9 | C10 | 10.8° | 0.0° |
| C7 | C8 | C16 | C18 | 19.9° | 0.0° |
| C8 | C7 | C6 | H3 | 120.0° | 119.9° |
| C8 | C7 | C6 | H4 | 120.0° | 120.0° |
| C8 | C7 | C6 | C5 | 164.1° | 90.0° |
| C8 | C7 | H3 | H4 | 119.9° | 120.0° |
| C7 | C8 | C9 | H12 | 142.4° | 145.0° |
| C16 | C9 | C10 | H12 | 135.3° | 145.7° |
| C16 | C9 | C10 | C11 | 132.2° | 117.6° |
| C9 | C16 | C18 | O4 | 164.7° | 58.1° |
| C9 | C16 | C18 | O5 | 21.8° | 122.0° |
| C16 | C9 | C10 | C15 | 44.1° | 62.6° |
| C10 | C9 | C16 | C18 | 28.2° | 0.1° |
| C9 | C10 | C11 | C15 | 176.7° | 179.8° |
| C9 | C10 | C11 | C12 | 178.9° | 179.7° |
| C9 | C10 | C15 | C14 | 176.5° | 180.0° |
| C10 | C9 | C8 | H5 | 150.1° | 145.0° |
| C9 | C10 | C15 | H7 | 3.5° | 0.0° |
| C9 | C10 | C11 | H13 | 1.1° | 0.2° |
| C16 | C18 | O4 | O5 | 173.1° | 179.9° |
| C18 | C16 | C8 | H5 | 128.8° | 145.0° |
| C18 | C16 | C9 | H12 | 163.7° | 145.1° |
| C16 | C18 | O5 | H17 | 173.3° | 180.0° |
| C7 | C6 | C5 | C4 | 178.8° | 180.0° |
| C7 | C6 | C5 | H2 | 1.2° | 0.1° |
| C6 | C7 | H3 | H4 | 119.9° | 120.0° |
| C6 | C7 | C8 | H5 | 39.1° | 30.6° |
| C7 | C6 | C19 | H18 | 2.1° | 0.2° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 178.8° | 180.0° |
| C5 | C6 | C7 | H3 | 44.0° | 150.0° |
| C5 | C6 | C7 | H4 | 75.9° | 30.0° |
| C5 | C6 | C19 | H18 | 179.9° | 179.8° |
| C5 | C4 | C3 | H11 | 179.6° | 179.5° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.9° | 0.0° |
| C11 | C10 | C15 | C14 | 0.2° | 0.2° |
| C11 | C10 | C15 | H7 | 179.8° | 179.8° |
| C11 | C10 | C9 | H12 | 3.1° | 96.7° |
| C10 | C11 | C12 | H14 | 178.1° | 180.0° |
| C12 | C11 | C10 | C15 | 2.2° | 0.1° |
| C11 | C12 | C13 | H14 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.3° |
| C11 | C12 | C13 | H6 | 179.6° | 179.7° |
| O4 | C18 | O5 | H17 | 0.0° | 0.1° |
| C10 | C15 | C14 | H7 | 180.0° | 180.0° |
| C10 | C15 | C14 | C13 | 2.1° | 0.5° |
| C15 | C10 | C9 | H12 | 179.5° | 83.1° |
| C15 | C10 | C11 | H13 | 177.8° | 180.0° |
| C10 | C15 | C14 | H15 | 177.9° | 180.0° |
| C12 | C13 | C14 | C15 | 2.4° | 0.5° |
| C12 | C13 | C14 | H6 | 180.0° | 179.5° |
| C13 | C12 | C11 | H13 | 178.1° | 180.0° |
| C12 | C13 | C14 | H15 | 177.5° | 180.0° |
| C15 | C14 | C13 | H15 | 180.0° | 179.5° |
| C15 | C14 | C13 | H6 | 177.6° | 180.0° |
| C13 | C14 | C15 | H7 | 177.9° | 179.5° |
| C14 | C13 | C12 | H14 | 179.6° | 179.7° |
| H1 | C4 | C5 | H2 | 1.2° | 0.1° |
| H1 | C4 | C3 | H11 | 0.4° | 0.2° |
| H3 | C7 | C8 | H5 | 159.1° | 150.6° |
| H4 | C7 | C8 | H5 | 80.9° | 89.4° |
| H5 | C8 | C9 | H12 | 3.0° | 0.0° |
| H6 | C13 | C12 | H14 | 0.4° | 0.3° |
| H6 | C13 | C14 | H15 | 2.5° | 0.5° |
| H7 | C15 | C14 | H15 | 2.1° | 0.0° |
| H8 | C1 | H9 | H10 | 120.0° | 119.9° |
| H13 | C11 | C12 | H14 | 1.9° | 0.0° |
