A8F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | N14 | sing | 1.47Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C13 | N14 | sing | 1.47Å | 1.49Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| N14 | C19 | sing | 1.47Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C12 | O21 | doub | 1.21Å | 1.22Å | |
| C12 | C9 | sing | 1.46Å | 1.50Å | |
| C10 | C9 | sing | 1.47Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.34Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.50Å | Aromatic |
| C11 | C23 | sing | 1.51Å | 1.51Å | |
| C11 | N7 | sing | 1.37Å | 1.32Å | Aromatic |
| C8 | N7 | sing | 1.35Å | 1.32Å | Aromatic |
| C8 | C22 | sing | 1.51Å | 1.50Å | |
| N7 | C5 | sing | 1.40Å | 1.33Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.78Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H22 | sing | 1.08Å | 1.08Å | |
| C6 | H23 | sing | 1.08Å | 1.08Å | |
| C1 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 112.0° | 109.3° |
| C16 | C15 | N14 | 115.2° | 109.5° |
| C16 | C15 | H4 | 108.0° | 109.5° |
| C16 | C15 | H5 | 108.0° | 109.5° |
| C15 | C16 | H6 | 108.8° | 109.5° |
| C15 | C16 | H7 | 108.8° | 109.5° |
| C16 | C17 | C18 | 109.4° | 109.1° |
| C17 | C16 | H6 | 108.8° | 109.5° |
| C17 | C16 | H7 | 108.8° | 109.5° |
| C16 | C17 | H8 | 109.5° | 109.6° |
| C16 | C17 | H9 | 109.5° | 109.5° |
| C15 | N14 | C13 | 109.3° | 111.0° |
| C15 | N14 | C19 | 113.4° | 111.2° |
| N14 | C15 | H4 | 108.0° | 109.4° |
| N14 | C15 | H5 | 108.0° | 109.5° |
| C17 | C18 | C19 | 110.1° | 109.3° |
| C18 | C17 | H8 | 109.5° | 109.5° |
| C18 | C17 | H9 | 109.5° | 109.5° |
| C17 | C18 | H10 | 109.3° | 109.5° |
| C17 | C18 | H11 | 109.3° | 109.5° |
| N14 | C13 | C12 | 119.6° | 109.5° |
| C13 | N14 | C19 | 113.5° | 111.0° |
| N14 | C13 | H1 | 106.9° | 109.5° |
| N14 | C13 | H2 | 106.8° | 109.5° |
| C13 | C12 | O21 | 123.6° | 120.0° |
| C13 | C12 | C9 | 115.1° | 120.1° |
| C12 | C13 | H1 | 106.9° | 109.5° |
| C12 | C13 | H2 | 106.9° | 109.4° |
| N14 | C19 | C18 | 112.7° | 109.5° |
| N14 | C19 | H12 | 108.6° | 109.4° |
| N14 | C19 | H13 | 108.7° | 109.4° |
| C19 | C18 | H10 | 109.4° | 109.5° |
| C19 | C18 | H11 | 109.3° | 109.5° |
| C18 | C19 | H12 | 108.7° | 109.5° |
| C18 | C19 | H13 | 108.7° | 109.5° |
| O21 | C12 | C9 | 121.2° | 119.9° |
| C12 | C9 | C10 | 128.4° | 127.0° |
| C12 | C9 | C8 | 123.9° | 127.1° |
| C9 | C10 | C11 | 105.8° | 106.4° |
| C10 | C9 | C8 | 107.7° | 105.9° |
| C9 | C10 | H14 | 127.1° | 126.8° |
| C10 | C11 | C23 | 118.0° | 125.4° |
| C10 | C11 | N7 | 108.8° | 109.2° |
| C11 | C10 | H14 | 127.1° | 126.9° |
| C9 | C8 | N7 | 102.4° | 108.2° |
| C9 | C8 | C22 | 131.5° | 125.9° |
| C23 | C11 | N7 | 133.2° | 125.4° |
| C11 | C23 | H15 | 109.5° | 109.5° |
| C11 | C23 | H16 | 109.5° | 109.5° |
| C11 | C23 | H17 | 109.5° | 109.5° |
| C11 | N7 | C8 | 115.2° | 110.4° |
| C11 | N7 | C5 | 122.5° | 124.8° |
| N7 | C8 | C22 | 126.2° | 125.9° |
| C8 | N7 | C5 | 122.2° | 124.8° |
| C8 | C22 | H18 | 109.5° | 109.5° |
| C8 | C22 | H19 | 109.5° | 109.5° |
| C8 | C22 | H20 | 109.5° | 109.5° |
| N7 | C5 | C6 | 123.3° | 120.1° |
| N7 | C5 | C4 | 120.7° | 120.0° |
| C5 | C6 | C1 | 122.9° | 120.0° |
| C6 | C5 | C4 | 116.0° | 119.9° |
| C5 | C6 | H23 | 118.5° | 120.0° |
| C6 | C1 | C2 | 118.7° | 120.1° |
| C1 | C6 | H23 | 118.6° | 120.0° |
| C6 | C1 | H24 | 120.6° | 120.0° |
| C5 | C4 | C3 | 122.7° | 119.9° |
| C5 | C4 | H21 | 118.6° | 120.1° |
| C1 | C2 | C3 | 120.5° | 120.1° |
| C1 | C2 | CL1 | 120.7° | 120.0° |
| C2 | C1 | H24 | 120.6° | 120.0° |
| C4 | C3 | C2 | 119.3° | 120.0° |
| C3 | C4 | H21 | 118.7° | 120.0° |
| C4 | C3 | H22 | 120.4° | 120.0° |
| C3 | C2 | CL1 | 118.9° | 119.9° |
| C2 | C3 | H22 | 120.4° | 120.0° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.6° |
| H10 | C18 | H11 | 109.4° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.4° |
| H15 | C23 | H16 | 109.5° | 109.4° |
| H15 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.4° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H18 | C22 | H20 | 109.5° | 109.4° |
| H19 | C22 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H6 | 120.4° | 119.9° |
| C15 | C16 | C17 | H7 | 120.4° | 120.0° |
| C16 | C15 | N14 | H4 | 120.9° | 120.0° |
| C16 | C15 | N14 | H5 | 120.8° | 120.0° |
| C15 | C16 | C17 | C18 | 25.9° | 57.7° |
| C16 | C15 | N14 | C13 | 178.6° | 174.1° |
| C16 | C15 | N14 | C19 | 53.6° | 61.7° |
| C16 | C15 | H4 | H5 | 117.4° | 120.0° |
| C15 | C16 | H6 | H7 | 118.8° | 120.1° |
| C15 | C16 | C17 | H8 | 145.9° | 62.2° |
| C15 | C16 | C17 | H9 | 94.1° | 177.6° |
| C17 | C16 | C15 | N14 | 32.1° | 59.2° |
| C16 | C17 | C18 | H8 | 120.0° | 119.9° |
| C16 | C17 | C18 | H9 | 120.0° | 119.9° |
| C16 | C17 | C18 | C19 | 66.0° | 57.6° |
| C17 | C16 | C15 | H4 | 153.0° | 60.8° |
| C17 | C16 | C15 | H5 | 88.7° | 179.2° |
| C17 | C16 | H6 | H7 | 118.8° | 120.1° |
| C16 | C17 | H8 | H9 | 120.1° | 120.2° |
| C16 | C17 | C18 | H10 | 54.1° | 177.6° |
| C16 | C17 | C18 | H11 | 173.9° | 62.3° |
| C15 | N14 | C13 | C19 | 127.7° | 124.2° |
| C15 | N14 | C13 | C12 | 117.5° | 65.8° |
| C15 | N14 | C19 | C18 | 12.6° | 61.7° |
| C15 | N14 | C13 | H1 | 121.1° | 174.2° |
| C15 | N14 | C13 | H2 | 3.9° | 54.2° |
| N14 | C15 | H4 | H5 | 117.4° | 120.0° |
| N14 | C15 | C16 | H6 | 152.5° | 179.1° |
| N14 | C15 | C16 | H7 | 88.3° | 60.8° |
| C15 | N14 | C19 | H12 | 133.1° | 178.2° |
| C15 | N14 | C19 | H13 | 107.9° | 58.3° |
| C17 | C18 | C19 | N14 | 45.6° | 59.2° |
| C17 | C18 | C19 | H10 | 120.1° | 119.9° |
| C17 | C18 | C19 | H11 | 120.1° | 120.0° |
| C18 | C17 | C16 | H6 | 94.5° | 177.6° |
| C18 | C17 | C16 | H7 | 146.3° | 62.3° |
| C18 | C17 | H8 | H9 | 120.0° | 120.2° |
| C17 | C18 | H10 | H11 | 119.7° | 120.1° |
| C17 | C18 | C19 | H12 | 74.8° | 179.2° |
| C17 | C18 | C19 | H13 | 166.1° | 60.8° |
| N14 | C13 | C12 | H1 | 121.5° | 120.0° |
| N14 | C13 | C12 | H2 | 121.4° | 120.0° |
| C13 | N14 | C19 | C18 | 138.1° | 174.2° |
| N14 | C13 | C12 | O21 | 47.6° | 0.1° |
| N14 | C13 | C12 | C9 | 135.6° | 179.7° |
| N14 | C13 | H1 | H2 | 115.4° | 120.0° |
| C13 | N14 | C15 | H4 | 57.8° | 65.8° |
| C13 | N14 | C15 | H5 | 60.5° | 54.1° |
| C13 | N14 | C19 | H12 | 101.4° | 54.1° |
| C13 | N14 | C19 | H13 | 17.6° | 65.8° |
| C12 | C13 | N14 | C19 | 10.2° | 170.0° |
| C13 | C12 | O21 | C9 | 176.6° | 179.6° |
| C13 | C12 | C9 | C10 | 0.0° | 0.0° |
| C13 | C12 | C9 | C8 | 179.0° | 179.7° |
| C12 | C13 | H1 | H2 | 115.4° | 119.9° |
| N14 | C19 | C18 | H12 | 120.5° | 120.0° |
| N14 | C19 | C18 | H13 | 120.5° | 120.0° |
| C19 | N14 | C13 | H1 | 111.3° | 50.0° |
| C19 | N14 | C13 | H2 | 131.6° | 70.0° |
| C19 | N14 | C15 | H4 | 174.5° | 58.3° |
| C19 | N14 | C15 | H5 | 67.2° | 178.3° |
| N14 | C19 | C18 | H10 | 74.5° | 179.1° |
| N14 | C19 | C18 | H11 | 165.8° | 60.8° |
| N14 | C19 | H12 | H13 | 118.5° | 119.9° |
| C19 | C18 | C17 | H8 | 174.0° | 62.3° |
| C19 | C18 | C17 | H9 | 54.0° | 177.5° |
| C19 | C18 | H10 | H11 | 119.7° | 120.1° |
| C18 | C19 | H12 | H13 | 118.6° | 120.0° |
| O21 | C12 | C9 | C10 | 176.8° | 179.7° |
| O21 | C12 | C9 | C8 | 2.1° | 0.1° |
| O21 | C12 | C13 | H1 | 169.1° | 120.0° |
| O21 | C12 | C13 | H2 | 73.8° | 120.1° |
| C12 | C9 | C10 | C8 | 179.1° | 179.8° |
| C12 | C9 | C10 | C11 | 179.5° | 180.0° |
| C12 | C9 | C8 | N7 | 179.3° | 179.8° |
| C12 | C9 | C8 | C22 | 1.4° | 0.1° |
| C9 | C12 | C13 | H1 | 14.2° | 59.6° |
| C9 | C12 | C13 | H2 | 103.0° | 60.3° |
| C12 | C9 | C10 | H14 | 0.5° | 0.0° |
| C9 | C10 | C11 | H14 | 180.0° | 180.0° |
| C9 | C10 | C11 | C23 | 180.0° | 180.0° |
| C9 | C10 | C11 | N7 | 0.5° | 0.0° |
| C10 | C9 | C8 | N7 | 0.1° | 0.4° |
| C10 | C9 | C8 | C22 | 179.5° | 179.7° |
| C11 | C10 | C9 | C8 | 0.4° | 0.2° |
| C10 | C11 | C23 | N7 | 179.3° | 180.0° |
| C10 | C11 | N7 | C8 | 0.5° | 0.3° |
| C10 | C11 | N7 | C5 | 179.3° | 179.9° |
| C10 | C11 | C23 | H15 | 89.7° | 90.0° |
| C10 | C11 | C23 | H16 | 150.2° | 150.0° |
| C10 | C11 | C23 | H17 | 30.3° | 30.0° |
| C9 | C8 | N7 | C11 | 0.2° | 0.4° |
| C9 | C8 | N7 | C22 | 179.4° | 179.9° |
| C9 | C8 | N7 | C5 | 179.0° | 179.8° |
| C8 | C9 | C10 | H14 | 179.6° | 179.8° |
| C9 | C8 | C22 | H18 | 89.6° | 90.0° |
| C9 | C8 | C22 | H19 | 150.5° | 150.0° |
| C9 | C8 | C22 | H20 | 30.5° | 30.0° |
| C23 | C11 | N7 | C8 | 179.9° | 179.7° |
| C23 | C11 | N7 | C5 | 1.3° | 0.1° |
| C23 | C11 | C10 | H14 | 0.0° | 0.0° |
| C11 | C23 | H15 | H16 | 120.0° | 120.0° |
| C11 | C23 | H15 | H17 | 120.0° | 120.0° |
| C11 | C23 | H16 | H17 | 120.0° | 120.0° |
| C11 | N7 | C8 | C5 | 178.8° | 179.8° |
| C11 | N7 | C8 | C22 | 179.1° | 179.7° |
| C11 | N7 | C5 | C6 | 96.6° | 115.2° |
| C11 | N7 | C5 | C4 | 84.5° | 65.1° |
| N7 | C11 | C10 | H14 | 179.4° | 180.0° |
| N7 | C11 | C23 | H15 | 89.6° | 90.0° |
| N7 | C11 | C23 | H16 | 30.4° | 30.0° |
| N7 | C11 | C23 | H17 | 150.4° | 150.0° |
| C8 | N7 | C5 | C6 | 84.7° | 65.0° |
| C8 | N7 | C5 | C4 | 94.3° | 114.7° |
| N7 | C8 | C22 | H18 | 89.6° | 89.9° |
| N7 | C8 | C22 | H19 | 30.4° | 30.1° |
| N7 | C8 | C22 | H20 | 150.4° | 150.2° |
| C22 | C8 | N7 | C5 | 0.3° | 0.1° |
| C8 | C22 | H18 | H19 | 120.0° | 120.0° |
| C8 | C22 | H18 | H20 | 120.0° | 120.0° |
| C8 | C22 | H19 | H20 | 120.0° | 120.1° |
| N7 | C5 | C6 | C4 | 179.0° | 179.7° |
| N7 | C5 | C6 | C1 | 179.3° | 180.0° |
| N7 | C5 | C4 | C3 | 179.5° | 180.0° |
| N7 | C5 | C4 | H21 | 0.5° | 0.1° |
| N7 | C5 | C6 | H23 | 0.7° | 0.0° |
| C5 | C6 | C1 | H23 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.3° |
| C6 | C5 | C4 | H21 | 179.5° | 179.8° |
| C5 | C6 | C1 | H24 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.3° | 0.3° |
| C6 | C1 | C2 | H24 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.3° |
| C6 | C1 | C2 | CL1 | 179.8° | 180.0° |
| C5 | C4 | C3 | H21 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C5 | C4 | C3 | H22 | 179.7° | 179.9° |
| C4 | C5 | C6 | H23 | 179.7° | 179.7° |
| C1 | C2 | C3 | C4 | 0.2° | 0.3° |
| C1 | C2 | C3 | CL1 | 179.9° | 179.7° |
| C1 | C2 | C3 | H22 | 179.9° | 179.7° |
| C2 | C1 | C6 | H23 | 179.9° | 180.0° |
| C4 | C3 | C2 | H22 | 180.0° | 179.9° |
| C4 | C3 | C2 | CL1 | 179.9° | 180.0° |
| C2 | C3 | C4 | H21 | 179.7° | 179.9° |
| C3 | C2 | C1 | H24 | 179.7° | 179.7° |
| CL1 | C2 | C3 | H22 | 0.1° | 0.1° |
| CL1 | C2 | C1 | H24 | 0.2° | 0.0° |
| H4 | C15 | C16 | H6 | 86.7° | 59.2° |
| H4 | C15 | C16 | H7 | 32.6° | 179.2° |
| H5 | C15 | C16 | H6 | 31.6° | 60.9° |
| H5 | C15 | C16 | H7 | 150.9° | 59.2° |
| H6 | C16 | C17 | H8 | 25.5° | 57.7° |
| H6 | C16 | C17 | H9 | 145.5° | 62.5° |
| H7 | C16 | C17 | H8 | 93.8° | 177.8° |
| H7 | C16 | C17 | H9 | 26.3° | 57.6° |
| H8 | C17 | C18 | H10 | 65.9° | 57.7° |
| H8 | C17 | C18 | H11 | 53.9° | 177.8° |
| H9 | C17 | C18 | H10 | 174.1° | 62.5° |
| H9 | C17 | C18 | H11 | 66.2° | 57.6° |
| H10 | C18 | C19 | H12 | 165.1° | 60.8° |
| H10 | C18 | C19 | H13 | 46.0° | 59.1° |
| H11 | C18 | C19 | H12 | 45.3° | 59.2° |
| H11 | C18 | C19 | H13 | 73.8° | 179.2° |
| H15 | C23 | H16 | H17 | 120.0° | 120.0° |
| H18 | C22 | H19 | H20 | 120.0° | 119.9° |
| H21 | C4 | C3 | H22 | 0.3° | 0.1° |
| H23 | C6 | C1 | H24 | 0.1° | 0.0° |
