A1EIY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL14 | C03 | sing | 1.74Å | 1.72Å | |
| C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| F10 | C09 | sing | 1.40Å | 1.34Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| F11 | C09 | sing | 1.40Å | 1.34Å | |
| C09 | F12 | sing | 1.40Å | 1.34Å | |
| C09 | C07 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.51Å | 1.51Å | |
| C06 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | CL13 | sing | 1.74Å | 1.71Å | |
| C07 | O08 | sing | 1.43Å | 1.41Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| O08 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL14 | C03 | C04 | 119.2° | 120.0° |
| CL14 | C03 | C02 | 120.7° | 120.0° |
| C05 | C04 | C03 | 119.2° | 120.0° |
| C04 | C05 | C06 | 121.1° | 120.0° |
| C05 | C04 | H2 | 120.4° | 120.0° |
| C04 | C05 | H3 | 119.4° | 120.0° |
| C04 | C03 | C02 | 120.1° | 120.0° |
| C03 | C04 | H2 | 120.4° | 120.0° |
| C05 | C06 | C07 | 121.5° | 119.9° |
| C05 | C06 | C01 | 119.1° | 120.1° |
| C06 | C05 | H3 | 119.5° | 120.0° |
| F10 | C09 | F11 | 106.9° | 109.5° |
| F10 | C09 | F12 | 107.1° | 109.5° |
| F10 | C09 | C07 | 112.1° | 109.5° |
| C03 | C02 | C01 | 120.7° | 120.0° |
| C03 | C02 | CL13 | 120.9° | 120.0° |
| F11 | C09 | F12 | 107.3° | 109.5° |
| F11 | C09 | C07 | 110.5° | 109.4° |
| F12 | C09 | C07 | 112.6° | 109.5° |
| C09 | C07 | C06 | 111.0° | 109.5° |
| C09 | C07 | O08 | 112.4° | 109.4° |
| C09 | C07 | H4 | 107.7° | 109.4° |
| C07 | C06 | C01 | 119.4° | 120.0° |
| C06 | C07 | O08 | 108.5° | 109.5° |
| C06 | C07 | H4 | 107.8° | 109.5° |
| C06 | C01 | C02 | 119.8° | 120.0° |
| C06 | C01 | H1 | 120.1° | 120.0° |
| C01 | C02 | CL13 | 118.4° | 120.0° |
| C02 | C01 | H1 | 120.1° | 120.0° |
| O08 | C07 | H4 | 109.3° | 109.5° |
| C07 | O08 | H5 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL14 | C03 | C04 | C05 | 179.7° | 180.0° |
| CL14 | C03 | C04 | C02 | 179.8° | 180.0° |
| CL14 | C03 | C02 | C01 | 179.9° | 180.0° |
| CL14 | C03 | C02 | CL13 | 0.1° | 0.0° |
| CL14 | C03 | C04 | H2 | 0.3° | 0.2° |
| C05 | C04 | C03 | H2 | 180.0° | 179.8° |
| C04 | C05 | C06 | H3 | 180.0° | 179.8° |
| C05 | C04 | C03 | C02 | 0.1° | 0.1° |
| C04 | C05 | C06 | C07 | 179.0° | 180.0° |
| C04 | C05 | C06 | C01 | 0.1° | 0.5° |
| C03 | C04 | C05 | C06 | 0.1° | 0.2° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| C04 | C03 | C02 | CL13 | 179.9° | 180.0° |
| C03 | C04 | C05 | H3 | 179.9° | 180.0° |
| C05 | C06 | C07 | C09 | 25.5° | 95.0° |
| C05 | C06 | C07 | C01 | 179.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.2° | 0.5° |
| C05 | C06 | C07 | O08 | 98.5° | 145.0° |
| C05 | C06 | C01 | H1 | 179.8° | 179.8° |
| C06 | C05 | C04 | H2 | 179.9° | 180.0° |
| C05 | C06 | C07 | H4 | 143.3° | 25.0° |
| F10 | C09 | F11 | F12 | 114.6° | 120.0° |
| F10 | C09 | F11 | C07 | 122.2° | 120.0° |
| F10 | C09 | F12 | C07 | 123.6° | 120.1° |
| F10 | C09 | C07 | C06 | 64.6° | 180.0° |
| F10 | C09 | C07 | O08 | 57.2° | 60.0° |
| F10 | C09 | C07 | H4 | 177.5° | 60.0° |
| C03 | C02 | C01 | C06 | 0.2° | 0.2° |
| C03 | C02 | C01 | CL13 | 180.0° | 180.0° |
| C03 | C02 | C01 | H1 | 179.8° | 180.0° |
| C02 | C03 | C04 | H2 | 179.9° | 179.8° |
| F11 | C09 | F12 | C07 | 121.9° | 119.9° |
| F11 | C09 | C07 | C06 | 54.5° | 59.9° |
| F11 | C09 | C07 | O08 | 176.3° | 60.0° |
| F11 | C09 | C07 | H4 | 63.3° | 180.0° |
| F12 | C09 | C07 | C06 | 174.6° | 60.0° |
| F12 | C09 | C07 | O08 | 63.7° | 180.0° |
| F12 | C09 | C07 | H4 | 56.7° | 60.1° |
| C09 | C07 | C06 | O08 | 124.0° | 120.0° |
| C09 | C07 | C06 | H4 | 117.8° | 120.0° |
| C09 | C07 | C06 | C01 | 153.4° | 84.5° |
| C09 | C07 | O08 | H4 | 119.5° | 119.9° |
| C09 | C07 | O08 | H5 | 180.0° | 60.0° |
| C07 | C06 | C01 | C02 | 179.2° | 180.0° |
| C06 | C07 | O08 | H4 | 117.3° | 120.1° |
| C07 | C06 | C01 | H1 | 0.8° | 0.3° |
| C07 | C06 | C05 | H3 | 1.0° | 0.2° |
| C06 | C07 | O08 | H5 | 56.8° | 59.9° |
| C06 | C01 | C02 | H1 | 180.0° | 179.8° |
| C06 | C01 | C02 | CL13 | 179.7° | 179.8° |
| C01 | C06 | C07 | O08 | 82.6° | 35.5° |
| C01 | C06 | C05 | H3 | 179.9° | 179.7° |
| C01 | C06 | C07 | H4 | 35.7° | 155.5° |
| CL13 | C02 | C01 | H1 | 0.2° | 0.0° |
| H2 | C04 | C05 | H3 | 0.1° | 0.1° |
| H4 | C07 | O08 | H5 | 60.5° | 180.0° |
