A1EIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.37Å | Aromatic |
| F11 | C09 | sing | 1.40Å | 1.34Å | |
| F12 | C09 | sing | 1.40Å | 1.33Å | |
| C09 | F10 | sing | 1.40Å | 1.34Å | |
| C09 | C07 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C06 | C01 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | O08 | sing | 1.43Å | 1.40Å | |
| C01 | CL1 | sing | 1.74Å | 1.74Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| O08 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C04 | C03 | 120.2° | 120.1° |
| C04 | C05 | C06 | 121.2° | 120.0° |
| C05 | C04 | H3 | 119.9° | 120.0° |
| C04 | C05 | H4 | 119.4° | 120.0° |
| C04 | C03 | C02 | 120.2° | 120.0° |
| C04 | C03 | H2 | 119.9° | 120.1° |
| C03 | C04 | H3 | 119.9° | 120.0° |
| C05 | C06 | C07 | 120.8° | 120.0° |
| C05 | C06 | C01 | 117.0° | 120.0° |
| C06 | C05 | H4 | 119.4° | 120.0° |
| C03 | C02 | C01 | 119.3° | 120.0° |
| C03 | C02 | H1 | 120.3° | 120.0° |
| C02 | C03 | H2 | 119.9° | 120.0° |
| F11 | C09 | F12 | 107.1° | 109.4° |
| F11 | C09 | F10 | 105.9° | 109.5° |
| F11 | C09 | C07 | 111.6° | 109.5° |
| F12 | C09 | F10 | 106.9° | 109.5° |
| F12 | C09 | C07 | 110.3° | 109.5° |
| F10 | C09 | C07 | 114.7° | 109.5° |
| C09 | C07 | C06 | 113.1° | 109.5° |
| C09 | C07 | O08 | 106.9° | 109.5° |
| C09 | C07 | H5 | 108.9° | 109.5° |
| C07 | C06 | C01 | 122.3° | 120.0° |
| C06 | C07 | O08 | 108.6° | 109.5° |
| C06 | C07 | H5 | 108.9° | 109.5° |
| C06 | C01 | C02 | 122.0° | 119.9° |
| C06 | C01 | CL1 | 120.6° | 120.0° |
| C02 | C01 | CL1 | 117.4° | 120.1° |
| C01 | C02 | H1 | 120.3° | 120.0° |
| O08 | C07 | H5 | 110.5° | 109.5° |
| C07 | O08 | H6 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C04 | C03 | H3 | 180.0° | 179.8° |
| C04 | C05 | C06 | H4 | 180.0° | 179.7° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C04 | C05 | C06 | C07 | 180.0° | 180.0° |
| C04 | C05 | C06 | C01 | 0.3° | 0.6° |
| C05 | C04 | C03 | H2 | 179.9° | 180.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.3° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| C04 | C03 | C02 | H1 | 179.9° | 179.9° |
| C03 | C04 | C05 | H4 | 179.8° | 180.0° |
| C05 | C06 | C07 | C09 | 26.6° | 95.0° |
| C05 | C06 | C07 | C01 | 179.7° | 179.4° |
| C05 | C06 | C01 | C02 | 0.4° | 0.6° |
| C05 | C06 | C07 | O08 | 91.8° | 25.0° |
| C05 | C06 | C01 | CL1 | 179.9° | 179.7° |
| C06 | C05 | C04 | H3 | 179.9° | 180.0° |
| C05 | C06 | C07 | H5 | 147.8° | 145.0° |
| C03 | C02 | C01 | C06 | 0.3° | 0.3° |
| C03 | C02 | C01 | H1 | 180.0° | 179.8° |
| C03 | C02 | C01 | CL1 | 179.8° | 180.0° |
| C02 | C03 | C04 | H3 | 179.9° | 179.8° |
| F11 | C09 | F12 | F10 | 113.1° | 120.0° |
| F11 | C09 | F12 | C07 | 121.6° | 120.0° |
| F11 | C09 | F10 | C07 | 123.5° | 120.0° |
| F11 | C09 | C07 | C06 | 64.8° | 180.0° |
| F11 | C09 | C07 | O08 | 54.6° | 60.0° |
| F11 | C09 | C07 | H5 | 174.0° | 60.0° |
| F12 | C09 | F10 | C07 | 122.6° | 120.0° |
| F12 | C09 | C07 | C06 | 54.1° | 60.0° |
| F12 | C09 | C07 | O08 | 173.5° | 60.0° |
| F12 | C09 | C07 | H5 | 67.1° | 180.0° |
| F10 | C09 | C07 | C06 | 174.8° | 60.0° |
| F10 | C09 | C07 | O08 | 65.8° | 180.0° |
| F10 | C09 | C07 | H5 | 53.6° | 60.0° |
| C09 | C07 | C06 | O08 | 118.5° | 120.0° |
| C09 | C07 | C06 | H5 | 121.2° | 120.0° |
| C09 | C07 | C06 | C01 | 153.7° | 85.5° |
| C09 | C07 | O08 | H5 | 118.3° | 120.0° |
| C09 | C07 | O08 | H6 | 180.0° | 60.0° |
| C07 | C06 | C01 | C02 | 179.9° | 180.0° |
| C06 | C07 | O08 | H5 | 119.3° | 120.0° |
| C07 | C06 | C01 | CL1 | 0.4° | 0.3° |
| C07 | C06 | C05 | H4 | 0.1° | 0.3° |
| C06 | C07 | O08 | H6 | 57.7° | 60.0° |
| C06 | C01 | C02 | CL1 | 179.6° | 179.7° |
| C01 | C06 | C07 | O08 | 87.9° | 154.5° |
| C06 | C01 | C02 | H1 | 179.7° | 179.8° |
| C01 | C06 | C05 | H4 | 179.7° | 179.7° |
| C01 | C06 | C07 | H5 | 32.5° | 34.5° |
| C01 | C02 | C03 | H2 | 179.9° | 180.0° |
| CL1 | C01 | C02 | H1 | 0.2° | 0.1° |
| H1 | C02 | C03 | H2 | 0.1° | 0.1° |
| H2 | C03 | C04 | H3 | 0.0° | 0.2° |
| H3 | C04 | C05 | H4 | 0.2° | 0.3° |
| H5 | C07 | O08 | H6 | 61.7° | 180.0° |






