A1AXF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.40Å | 1.36Å | |
| C1 | F2 | sing | 1.40Å | 1.36Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N1 | sing | 1.39Å | 1.37Å | |
| C4 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C5 | sing | 1.47Å | 1.46Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | N2 | sing | 1.47Å | 1.49Å | |
| N2 | C7 | sing | 1.47Å | 1.49Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| N3 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | CL1 | sing | 1.74Å | 1.74Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| N2 | H23 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | F2 | 106.1° | 109.4° |
| F1 | C1 | C2 | 110.4° | 109.5° |
| F1 | C1 | H1 | 110.3° | 109.5° |
| F2 | C1 | C2 | 111.5° | 109.5° |
| F2 | C1 | H1 | 110.3° | 109.5° |
| C1 | C2 | C3 | 121.7° | 120.8° |
| C1 | C2 | C10 | 120.5° | 120.7° |
| C2 | C1 | H1 | 108.3° | 109.5° |
| C3 | C2 | C10 | 117.8° | 118.5° |
| C2 | C3 | C4 | 119.4° | 119.1° |
| C2 | C3 | H3 | 120.3° | 120.4° |
| C2 | C10 | C9 | 119.9° | 119.3° |
| C2 | C10 | CL1 | 120.6° | 120.4° |
| C3 | C4 | N1 | 121.8° | 119.7° |
| C3 | C4 | N3 | 121.8° | 120.6° |
| C4 | C3 | H3 | 120.3° | 120.5° |
| N1 | C4 | N3 | 116.5° | 119.7° |
| C4 | N1 | C5 | 122.2° | 111.0° |
| C4 | N1 | C8 | 122.6° | 111.0° |
| C4 | N3 | C9 | 118.7° | 121.6° |
| C5 | N1 | C8 | 115.2° | 110.9° |
| N1 | C5 | C6 | 110.0° | 109.4° |
| N1 | C5 | H53 | 109.3° | 109.5° |
| N1 | C5 | H52 | 109.4° | 109.5° |
| N1 | C8 | C7 | 110.3° | 109.4° |
| N1 | C8 | H82 | 109.2° | 109.5° |
| N1 | C8 | H83 | 109.2° | 109.6° |
| C5 | C6 | N2 | 111.1° | 109.3° |
| C6 | C5 | H53 | 109.4° | 109.5° |
| C6 | C5 | H52 | 109.3° | 109.5° |
| C5 | C6 | H63 | 109.1° | 109.5° |
| C5 | C6 | H62 | 109.1° | 109.5° |
| C6 | N2 | C7 | 112.4° | 110.9° |
| N2 | C6 | H63 | 109.0° | 109.5° |
| N2 | C6 | H62 | 109.1° | 109.5° |
| C6 | N2 | H23 | 108.7° | 111.0° |
| N2 | C7 | C8 | 111.2° | 109.4° |
| N2 | C7 | H73 | 109.0° | 109.5° |
| N2 | C7 | H72 | 109.0° | 109.5° |
| C7 | N2 | H23 | 108.8° | 111.0° |
| C8 | C7 | H73 | 109.0° | 109.5° |
| C8 | C7 | H72 | 109.0° | 109.5° |
| C7 | C8 | H82 | 109.3° | 109.4° |
| C7 | C8 | H83 | 109.3° | 109.5° |
| N3 | C9 | C10 | 122.3° | 120.8° |
| N3 | C9 | H9 | 118.9° | 119.5° |
| C9 | C10 | CL1 | 119.4° | 120.3° |
| C10 | C9 | H9 | 118.8° | 119.6° |
| H73 | C7 | H72 | 109.5° | 109.5° |
| H82 | C8 | H83 | 109.5° | 109.4° |
| H53 | C5 | H52 | 109.4° | 109.4° |
| H63 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | F2 | C2 | 120.2° | 120.0° |
| F1 | C1 | F2 | H1 | 119.4° | 120.0° |
| F1 | C1 | C2 | H1 | 120.9° | 120.0° |
| F1 | C1 | C2 | C3 | 81.5° | 30.0° |
| F1 | C1 | C2 | C10 | 98.1° | 150.0° |
| F2 | C1 | C2 | H1 | 121.5° | 120.0° |
| F2 | C1 | C2 | C3 | 36.2° | 150.0° |
| F2 | C1 | C2 | C10 | 144.2° | 30.0° |
| C1 | C2 | C3 | C10 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 179.5° | 180.0° |
| C1 | C2 | C10 | C9 | 179.8° | 179.8° |
| C1 | C2 | C10 | CL1 | 0.7° | 0.0° |
| C1 | C2 | C3 | H3 | 0.5° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | N1 | 179.9° | 180.0° |
| C2 | C3 | C4 | N3 | 0.2° | 0.3° |
| C3 | C2 | C10 | C9 | 0.2° | 0.3° |
| C3 | C2 | C10 | CL1 | 179.7° | 180.0° |
| C3 | C2 | C1 | H1 | 157.7° | 90.0° |
| C10 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C10 | C9 | N3 | 0.4° | 0.2° |
| C2 | C10 | C9 | CL1 | 179.5° | 179.8° |
| C2 | C10 | C9 | H9 | 179.6° | 179.7° |
| C10 | C2 | C1 | H1 | 22.7° | 90.0° |
| C10 | C2 | C3 | H3 | 179.9° | 180.0° |
| C3 | C4 | N1 | N3 | 179.9° | 179.7° |
| C3 | C4 | N1 | C5 | 25.7° | 180.0° |
| C3 | C4 | N1 | C8 | 153.3° | 56.2° |
| C3 | C4 | N3 | C9 | 0.0° | 0.3° |
| C4 | N1 | C5 | C8 | 179.1° | 123.9° |
| C4 | N1 | C5 | C6 | 155.3° | 176.8° |
| C4 | N1 | C8 | C7 | 145.1° | 176.8° |
| N1 | C4 | N3 | C9 | 179.9° | 180.0° |
| C4 | N1 | C8 | H82 | 94.8° | 63.3° |
| C4 | N1 | C8 | H83 | 25.0° | 56.8° |
| N1 | C4 | C3 | H3 | 0.1° | 0.1° |
| C4 | N1 | C5 | H53 | 84.6° | 56.8° |
| C4 | N1 | C5 | H52 | 35.3° | 63.2° |
| N3 | C4 | N1 | C5 | 154.1° | 0.2° |
| N3 | C4 | N1 | C8 | 26.8° | 124.1° |
| C4 | N3 | C9 | C10 | 0.3° | 0.0° |
| C4 | N3 | C9 | H9 | 179.7° | 180.0° |
| N3 | C4 | C3 | H3 | 179.8° | 179.7° |
| N1 | C5 | C6 | H53 | 120.1° | 120.0° |
| N1 | C5 | C6 | H52 | 120.1° | 120.0° |
| N1 | C5 | C6 | N2 | 62.5° | 58.4° |
| C5 | N1 | C8 | C7 | 35.8° | 59.3° |
| C5 | N1 | C8 | H82 | 84.3° | 60.7° |
| C5 | N1 | C8 | H83 | 155.9° | 179.3° |
| N1 | C5 | H53 | H52 | 119.8° | 120.1° |
| N1 | C5 | C6 | H63 | 177.2° | 178.3° |
| N1 | C5 | C6 | H62 | 57.7° | 61.6° |
| C8 | N1 | C5 | C6 | 23.8° | 59.3° |
| N1 | C8 | C7 | N2 | 62.0° | 58.4° |
| N1 | C8 | C7 | H82 | 120.1° | 120.0° |
| N1 | C8 | C7 | H83 | 120.1° | 120.1° |
| N1 | C8 | C7 | H73 | 58.3° | 61.6° |
| N1 | C8 | C7 | H72 | 177.8° | 178.4° |
| N1 | C8 | H82 | H83 | 119.6° | 120.1° |
| C8 | N1 | C5 | H53 | 96.3° | 179.3° |
| C8 | N1 | C5 | H52 | 143.9° | 60.7° |
| C5 | C6 | N2 | H63 | 120.3° | 119.9° |
| C5 | C6 | N2 | H62 | 120.3° | 120.0° |
| C5 | C6 | N2 | C7 | 36.3° | 59.3° |
| C6 | C5 | H53 | H52 | 119.7° | 120.0° |
| C5 | C6 | H63 | H62 | 119.3° | 120.1° |
| C5 | C6 | N2 | H23 | 84.1° | 64.5° |
| C6 | N2 | C7 | H23 | 120.4° | 123.9° |
| C6 | N2 | C7 | C8 | 23.5° | 59.3° |
| C6 | N2 | C7 | H73 | 96.8° | 60.6° |
| C6 | N2 | C7 | H72 | 143.8° | 179.3° |
| N2 | C6 | C5 | H53 | 57.6° | 178.4° |
| N2 | C6 | C5 | H52 | 177.3° | 61.6° |
| N2 | C6 | H63 | H62 | 119.2° | 120.1° |
| N2 | C7 | C8 | H73 | 120.2° | 119.9° |
| N2 | C7 | C8 | H72 | 120.3° | 120.0° |
| N2 | C7 | H73 | H72 | 119.2° | 120.1° |
| N2 | C7 | C8 | H82 | 58.1° | 61.6° |
| N2 | C7 | C8 | H83 | 177.9° | 178.4° |
| C7 | N2 | C6 | H63 | 156.6° | 179.2° |
| C7 | N2 | C6 | H62 | 83.9° | 60.6° |
| C8 | C7 | H73 | H72 | 119.2° | 120.0° |
| C7 | C8 | H82 | H83 | 119.6° | 120.0° |
| C8 | C7 | N2 | H23 | 143.9° | 64.6° |
| N3 | C9 | C10 | H9 | 180.0° | 180.0° |
| N3 | C9 | C10 | CL1 | 179.9° | 180.0° |
| CL1 | C10 | C9 | H9 | 0.1° | 0.0° |
| H73 | C7 | C8 | H82 | 178.4° | 178.4° |
| H73 | C7 | C8 | H83 | 61.8° | 58.5° |
| H73 | C7 | N2 | H23 | 23.7° | 175.5° |
| H72 | C7 | C8 | H82 | 62.1° | 58.4° |
| H72 | C7 | C8 | H83 | 57.7° | 61.5° |
| H72 | C7 | N2 | H23 | 95.8° | 55.4° |
| H53 | C5 | C6 | H63 | 62.7° | 61.7° |
| H53 | C5 | C6 | H62 | 177.8° | 58.4° |
| H52 | C5 | C6 | H63 | 57.1° | 58.3° |
| H52 | C5 | C6 | H62 | 62.4° | 178.4° |
| H63 | C6 | N2 | H23 | 36.1° | 55.4° |
| H62 | C6 | N2 | H23 | 155.6° | 175.5° |
