A1I22
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F11 | C08 | sing | 1.40Å | 1.38Å | |
| O01 | C02 | doub | 1.22Å | 1.40Å | |
| F10 | C08 | sing | 1.40Å | 1.41Å | |
| N07 | C02 | sing | 1.34Å | 1.31Å | |
| N07 | C06 | doub | 1.29Å | 1.30Å | |
| C02 | C03 | sing | 1.47Å | 1.39Å | |
| C08 | C06 | sing | 1.51Å | 1.53Å | |
| C08 | F09 | sing | 1.40Å | 1.38Å | |
| C06 | C05 | sing | 1.51Å | 1.38Å | |
| C03 | C04 | doub | 1.34Å | 1.35Å | |
| C05 | C04 | sing | 1.51Å | 1.40Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F11 | C08 | F10 | 105.3° | 109.4° |
| F11 | C08 | C06 | 107.9° | 109.5° |
| F11 | C08 | F09 | 110.7° | 109.5° |
| O01 | C02 | N07 | 120.3° | 118.7° |
| O01 | C02 | C03 | 119.2° | 118.7° |
| F10 | C08 | C06 | 111.9° | 109.5° |
| F10 | C08 | F09 | 109.0° | 109.5° |
| C02 | N07 | C06 | 121.6° | 122.8° |
| N07 | C02 | C03 | 120.5° | 122.6° |
| N07 | C06 | C08 | 119.9° | 120.3° |
| N07 | C06 | C05 | 121.4° | 119.5° |
| C02 | C03 | C04 | 119.9° | 120.0° |
| C02 | C03 | H1 | 120.1° | 120.0° |
| C06 | C08 | F09 | 111.8° | 109.5° |
| C08 | C06 | C05 | 118.8° | 120.3° |
| C06 | C05 | C04 | 118.6° | 117.6° |
| C06 | C05 | H3 | 107.1° | 107.8° |
| C06 | C05 | H4 | 107.1° | 107.8° |
| C03 | C04 | C05 | 118.1° | 117.5° |
| C04 | C03 | H1 | 120.0° | 120.0° |
| C03 | C04 | H2 | 121.0° | 121.3° |
| C05 | C04 | H2 | 120.9° | 121.2° |
| C04 | C05 | H3 | 107.1° | 107.9° |
| C04 | C05 | H4 | 107.1° | 107.8° |
| H3 | C05 | H4 | 109.5° | 107.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F11 | C08 | F10 | C06 | 116.9° | 120.0° |
| F11 | C08 | F10 | F09 | 118.8° | 119.9° |
| F11 | C08 | C06 | N07 | 73.5° | 119.8° |
| F11 | C08 | C06 | F09 | 122.0° | 120.0° |
| F11 | C08 | C06 | C05 | 106.1° | 60.0° |
| O01 | C02 | N07 | C03 | 177.9° | 179.7° |
| O01 | C02 | N07 | C06 | 179.7° | 179.8° |
| O01 | C02 | C03 | C04 | 179.4° | 180.0° |
| O01 | C02 | C03 | H1 | 0.6° | 0.0° |
| F10 | C08 | C06 | N07 | 41.9° | 120.3° |
| F10 | C08 | C06 | F09 | 122.6° | 120.0° |
| F10 | C08 | C06 | C05 | 138.5° | 59.9° |
| C02 | N07 | C06 | C08 | 178.1° | 179.7° |
| C02 | N07 | C06 | C05 | 1.5° | 0.5° |
| N07 | C02 | C03 | C04 | 1.4° | 0.2° |
| N07 | C02 | C03 | H1 | 178.6° | 179.7° |
| C06 | N07 | C02 | C03 | 1.7° | 0.5° |
| N07 | C06 | C08 | C05 | 179.6° | 179.8° |
| N07 | C06 | C08 | F09 | 164.5° | 0.2° |
| N07 | C06 | C05 | C04 | 0.9° | 0.2° |
| N07 | C06 | C05 | H3 | 120.4° | 122.3° |
| N07 | C06 | C05 | H4 | 122.1° | 121.8° |
| C02 | C03 | C04 | H1 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.9° | 0.0° |
| C02 | C03 | C04 | H2 | 179.1° | 180.0° |
| C08 | C06 | C05 | C04 | 178.7° | 180.0° |
| C08 | C06 | C05 | H3 | 60.0° | 57.9° |
| C08 | C06 | C05 | H4 | 57.4° | 58.0° |
| F09 | C08 | C06 | C05 | 15.9° | 180.0° |
| C06 | C05 | C04 | C03 | 0.6° | 0.0° |
| C06 | C05 | C04 | H3 | 121.3° | 122.1° |
| C06 | C05 | C04 | H4 | 121.3° | 122.0° |
| C06 | C05 | C04 | H2 | 179.4° | 180.0° |
| C06 | C05 | H3 | H4 | 115.9° | 116.0° |
| C03 | C04 | C05 | H2 | 180.0° | 180.0° |
| C03 | C04 | C05 | H3 | 120.7° | 122.0° |
| C03 | C04 | C05 | H4 | 121.9° | 122.0° |
| C05 | C04 | C03 | H1 | 179.1° | 180.0° |
| C04 | C05 | H3 | H4 | 115.9° | 116.1° |
| H1 | C03 | C04 | H2 | 0.9° | 0.1° |
| H2 | C04 | C05 | H3 | 59.3° | 57.9° |
| H2 | C04 | C05 | H4 | 58.1° | 58.0° |
