AFW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.36Å | 1.37Å | |
| N | C11 | sing | 1.47Å | 1.44Å | |
| CL | C13 | sing | 1.74Å | 1.74Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.49Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C14 | sing | 1.51Å | 1.49Å | |
| C14 | F1 | sing | 1.40Å | 1.33Å | |
| C14 | F | sing | 1.40Å | 1.35Å | |
| C14 | F2 | sing | 1.40Å | 1.33Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 1.01Å | 1.00Å | |
| N | H11 | sing | 1.01Å | 1.00Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 118.4° | 117.0° |
| O | C | H4 | 109.5° | 109.5° |
| O | C | H5 | 109.5° | 109.5° |
| O | C | H6 | 109.5° | 109.4° |
| O | C1 | C2 | 123.9° | 120.1° |
| O | C1 | C6 | 115.6° | 120.1° |
| N | C11 | C10 | 118.0° | 109.4° |
| N | C11 | H8 | 107.3° | 109.5° |
| N | C11 | H9 | 107.3° | 109.5° |
| C11 | N | H10 | 109.5° | 111.0° |
| C11 | N | H11 | 109.5° | 111.0° |
| CL | C13 | C12 | 118.8° | 120.1° |
| CL | C13 | C7 | 119.5° | 120.1° |
| C11 | C10 | C12 | 117.1° | 119.9° |
| C11 | C10 | C9 | 124.8° | 119.9° |
| C10 | C11 | H8 | 107.3° | 109.5° |
| C10 | C11 | H9 | 107.3° | 109.5° |
| C2 | C1 | C6 | 120.4° | 119.8° |
| C1 | C2 | C3 | 119.8° | 120.1° |
| C1 | C2 | H1 | 120.1° | 119.9° |
| C1 | C6 | C7 | 123.9° | 120.2° |
| C1 | C6 | C5 | 118.7° | 119.7° |
| C13 | C12 | C10 | 120.4° | 120.1° |
| C12 | C13 | C7 | 121.7° | 119.9° |
| C13 | C12 | H7 | 119.8° | 119.9° |
| C12 | C10 | C9 | 118.1° | 120.2° |
| C10 | C12 | H7 | 119.8° | 120.0° |
| C2 | C3 | C4 | 121.0° | 120.3° |
| C3 | C2 | H1 | 120.1° | 120.0° |
| C2 | C3 | H3 | 119.5° | 119.8° |
| C13 | C7 | C6 | 123.4° | 120.1° |
| C13 | C7 | C8 | 117.7° | 119.7° |
| C10 | C9 | C8 | 121.3° | 120.2° |
| C10 | C9 | H13 | 119.3° | 119.9° |
| C6 | C7 | C8 | 118.9° | 120.1° |
| C7 | C6 | C5 | 117.4° | 120.1° |
| C7 | C8 | C9 | 120.6° | 119.9° |
| C7 | C8 | H14 | 119.7° | 120.1° |
| C8 | C9 | H13 | 119.4° | 119.9° |
| C9 | C8 | H14 | 119.7° | 120.1° |
| C6 | C5 | C4 | 121.3° | 119.9° |
| C6 | C5 | H2 | 119.4° | 120.1° |
| C3 | C4 | C5 | 118.9° | 120.3° |
| C3 | C4 | C14 | 121.2° | 119.8° |
| C4 | C3 | H3 | 119.5° | 119.9° |
| C5 | C4 | C14 | 119.8° | 119.9° |
| C4 | C5 | H2 | 119.4° | 120.0° |
| C4 | C14 | F1 | 113.0° | 109.5° |
| C4 | C14 | F | 112.3° | 109.5° |
| C4 | C14 | F2 | 112.8° | 109.5° |
| F1 | C14 | F | 107.9° | 109.4° |
| F1 | C14 | F2 | 103.7° | 109.5° |
| F | C14 | F2 | 106.6° | 109.5° |
| H4 | C | H5 | 109.5° | 109.5° |
| H4 | C | H6 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.4° |
| H8 | C11 | H9 | 109.4° | 109.5° |
| H10 | N | H11 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 7.9° | 0.0° |
| C | O | C1 | C6 | 168.4° | 180.0° |
| O | C | H4 | H5 | 120.0° | 120.0° |
| O | C | H4 | H6 | 120.0° | 120.0° |
| O | C | H5 | H6 | 120.0° | 120.0° |
| O | C1 | C2 | C6 | 176.1° | 180.0° |
| O | C1 | C2 | C3 | 174.6° | 180.0° |
| O | C1 | C6 | C7 | 8.0° | 0.3° |
| O | C1 | C6 | C5 | 174.8° | 179.4° |
| O | C1 | C2 | H1 | 5.4° | 0.2° |
| C1 | O | C | H4 | 180.0° | 180.0° |
| C1 | O | C | H5 | 60.0° | 60.0° |
| C1 | O | C | H6 | 60.0° | 60.0° |
| N | C11 | C10 | H8 | 121.2° | 120.0° |
| N | C11 | C10 | H9 | 121.2° | 120.0° |
| N | C11 | C10 | C12 | 158.1° | 90.0° |
| N | C11 | C10 | C9 | 21.0° | 90.0° |
| N | C11 | H8 | H9 | 116.1° | 120.0° |
| C11 | N | H10 | H11 | 120.0° | 123.9° |
| CL | C13 | C12 | C7 | 179.3° | 180.0° |
| CL | C13 | C12 | C10 | 178.1° | 180.0° |
| CL | C13 | C7 | C6 | 2.1° | 0.1° |
| CL | C13 | C7 | C8 | 179.1° | 179.7° |
| CL | C13 | C12 | H7 | 1.9° | 0.0° |
| C11 | C10 | C12 | C13 | 176.6° | 179.9° |
| C11 | C10 | C12 | C9 | 179.1° | 180.0° |
| C11 | C10 | C9 | C8 | 178.0° | 179.8° |
| C11 | C10 | C12 | H7 | 3.4° | 0.0° |
| C10 | C11 | H8 | H9 | 116.1° | 120.0° |
| C10 | C11 | N | H10 | 180.0° | 56.0° |
| C10 | C11 | N | H11 | 60.0° | 180.0° |
| C11 | C10 | C9 | H13 | 2.0° | 0.1° |
| C1 | C2 | C3 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | C7 | 175.5° | 179.7° |
| C2 | C1 | C6 | C5 | 1.6° | 0.6° |
| C1 | C2 | C3 | C4 | 0.9° | 0.3° |
| C1 | C2 | C3 | H3 | 179.1° | 179.7° |
| C6 | C1 | C2 | C3 | 1.6° | 0.0° |
| C1 | C6 | C7 | C13 | 67.0° | 64.4° |
| C1 | C6 | C7 | C5 | 177.2° | 179.1° |
| C1 | C6 | C7 | C8 | 111.8° | 115.8° |
| C1 | C6 | C5 | C4 | 1.1° | 0.9° |
| C6 | C1 | C2 | H1 | 178.5° | 179.7° |
| C1 | C6 | C5 | H2 | 178.9° | 179.7° |
| C13 | C12 | C10 | H7 | 180.0° | 180.0° |
| C13 | C12 | C10 | C9 | 2.5° | 0.0° |
| C12 | C13 | C7 | C6 | 177.2° | 180.0° |
| C12 | C13 | C7 | C8 | 1.6° | 0.2° |
| C10 | C12 | C13 | C7 | 1.2° | 0.0° |
| C12 | C10 | C9 | C8 | 1.0° | 0.3° |
| C12 | C10 | C11 | H8 | 36.8° | 150.0° |
| C12 | C10 | C11 | H9 | 80.7° | 29.9° |
| C12 | C10 | C9 | H13 | 178.9° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | C14 | 179.9° | 180.0° |
| C13 | C7 | C6 | C8 | 178.8° | 179.8° |
| C13 | C7 | C8 | C9 | 3.1° | 0.5° |
| C13 | C7 | C6 | C5 | 115.8° | 114.7° |
| C7 | C13 | C12 | H7 | 178.8° | 180.0° |
| C13 | C7 | C8 | H14 | 176.9° | 179.7° |
| C10 | C9 | C8 | C7 | 1.8° | 0.5° |
| C10 | C9 | C8 | H13 | 180.0° | 179.7° |
| C9 | C10 | C12 | H7 | 177.5° | 180.0° |
| C9 | C10 | C11 | H8 | 142.2° | 30.0° |
| C9 | C10 | C11 | H9 | 100.3° | 150.0° |
| C10 | C9 | C8 | H14 | 178.2° | 179.7° |
| C6 | C7 | C8 | C9 | 175.8° | 179.7° |
| C7 | C6 | C5 | C4 | 176.3° | 180.0° |
| C7 | C6 | C5 | H2 | 3.7° | 0.6° |
| C6 | C7 | C8 | H14 | 4.2° | 0.1° |
| C7 | C8 | C9 | H14 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 65.4° | 65.1° |
| C7 | C8 | C9 | H13 | 178.2° | 179.7° |
| C6 | C5 | C4 | C3 | 0.4° | 0.6° |
| C6 | C5 | C4 | H2 | 180.0° | 179.4° |
| C6 | C5 | C4 | C14 | 179.8° | 179.4° |
| C3 | C4 | C5 | C14 | 179.8° | 180.0° |
| C3 | C4 | C14 | F1 | 7.6° | 90.0° |
| C3 | C4 | C14 | F | 114.6° | 150.0° |
| C3 | C4 | C14 | F2 | 124.9° | 30.0° |
| C4 | C3 | C2 | H1 | 179.1° | 180.0° |
| C3 | C4 | C5 | H2 | 179.6° | 180.0° |
| C5 | C4 | C14 | F1 | 172.2° | 90.0° |
| C5 | C4 | C14 | F | 65.6° | 30.0° |
| C5 | C4 | C14 | F2 | 54.9° | 150.0° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| C4 | C14 | F1 | F | 124.7° | 120.0° |
| C4 | C14 | F1 | F2 | 122.5° | 120.0° |
| C4 | C14 | F | F2 | 124.0° | 120.1° |
| C14 | C4 | C5 | H2 | 0.2° | 0.0° |
| C14 | C4 | C3 | H3 | 0.1° | 0.0° |
| F1 | C14 | F | F2 | 110.9° | 120.0° |
| H1 | C2 | C3 | H3 | 0.9° | 0.0° |
| H4 | C | H5 | H6 | 120.0° | 120.0° |
| H8 | C11 | N | H10 | 58.8° | 64.0° |
| H8 | C11 | N | H11 | 61.3° | 60.0° |
| H9 | C11 | N | H10 | 58.8° | 176.0° |
| H9 | C11 | N | H11 | 178.8° | 60.1° |
| H13 | C9 | C8 | H14 | 1.8° | 0.1° |
