A1D8Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F14 | C11 | sing | 1.40Å | 1.36Å | |
| F13 | C11 | sing | 1.40Å | 1.36Å | |
| C11 | F12 | sing | 1.40Å | 1.36Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | N01 | sing | 1.40Å | 1.45Å | |
| C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| F06 | C05 | sing | 1.40Å | 1.36Å | |
| C05 | F08 | sing | 1.40Å | 1.36Å | |
| C05 | F07 | sing | 1.40Å | 1.36Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F14 | C11 | F13 | 109.2° | 109.5° |
| F14 | C11 | F12 | 109.7° | 109.4° |
| F14 | C11 | C10 | 108.6° | 109.5° |
| F13 | C11 | F12 | 107.2° | 109.5° |
| F13 | C11 | C10 | 112.8° | 109.5° |
| F12 | C11 | C10 | 109.2° | 109.5° |
| C11 | C10 | C15 | 122.4° | 120.0° |
| C11 | C10 | C09 | 118.3° | 120.0° |
| C15 | C10 | C09 | 119.3° | 120.0° |
| C10 | C15 | C02 | 119.9° | 119.9° |
| C10 | C15 | H151 | 120.1° | 120.0° |
| C10 | C09 | C04 | 120.9° | 120.2° |
| C10 | C09 | H091 | 119.5° | 119.9° |
| C15 | C02 | N01 | 119.7° | 120.1° |
| C15 | C02 | C03 | 120.8° | 119.9° |
| C02 | C15 | H151 | 120.1° | 120.0° |
| C09 | C04 | C03 | 119.2° | 120.0° |
| C09 | C04 | C05 | 118.0° | 120.0° |
| C04 | C09 | H091 | 119.6° | 119.9° |
| N01 | C02 | C03 | 119.5° | 120.1° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C02 | N01 | H012 | 109.4° | 120.0° |
| C02 | C03 | C04 | 119.9° | 119.9° |
| C02 | C03 | H031 | 120.0° | 120.0° |
| C03 | C04 | C05 | 122.8° | 120.0° |
| C04 | C03 | H031 | 120.1° | 120.0° |
| C04 | C05 | F06 | 110.5° | 109.5° |
| C04 | C05 | F08 | 107.9° | 109.5° |
| C04 | C05 | F07 | 112.6° | 109.5° |
| F06 | C05 | F08 | 108.9° | 109.5° |
| F06 | C05 | F07 | 109.5° | 109.5° |
| F08 | C05 | F07 | 107.4° | 109.5° |
| H011 | N01 | H012 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F14 | C11 | F13 | F12 | 118.8° | 119.9° |
| F14 | C11 | F13 | C10 | 120.9° | 120.0° |
| F14 | C11 | F12 | C10 | 119.0° | 120.0° |
| F14 | C11 | C10 | C15 | 108.5° | 120.0° |
| F14 | C11 | C10 | C09 | 71.6° | 59.8° |
| F13 | C11 | F12 | C10 | 122.6° | 120.0° |
| F13 | C11 | C10 | C15 | 12.8° | 120.0° |
| F13 | C11 | C10 | C09 | 167.2° | 60.3° |
| F12 | C11 | C10 | C15 | 131.9° | 0.0° |
| F12 | C11 | C10 | C09 | 48.1° | 179.7° |
| C11 | C10 | C15 | C09 | 180.0° | 179.7° |
| C11 | C10 | C15 | C02 | 179.7° | 179.7° |
| C11 | C10 | C09 | C04 | 179.9° | 179.7° |
| C11 | C10 | C15 | H151 | 0.3° | 0.3° |
| C11 | C10 | C09 | H091 | 0.1° | 0.3° |
| C10 | C15 | C02 | H151 | 180.0° | 180.0° |
| C15 | C10 | C09 | C04 | 0.1° | 0.0° |
| C10 | C15 | C02 | N01 | 179.6° | 180.0° |
| C10 | C15 | C02 | C03 | 0.2° | 0.0° |
| C15 | C10 | C09 | H091 | 179.9° | 180.0° |
| C09 | C10 | C15 | C02 | 0.3° | 0.0° |
| C10 | C09 | C04 | H091 | 180.0° | 180.0° |
| C10 | C09 | C04 | C03 | 0.1° | 0.0° |
| C10 | C09 | C04 | C05 | 179.6° | 180.0° |
| C09 | C10 | C15 | H151 | 179.7° | 180.0° |
| C15 | C02 | N01 | C03 | 179.8° | 180.0° |
| C15 | C02 | C03 | C04 | 0.0° | 0.0° |
| C15 | C02 | N01 | H011 | 180.0° | 0.0° |
| C15 | C02 | N01 | H012 | 60.0° | 180.0° |
| C15 | C02 | C03 | H031 | 180.0° | 180.0° |
| C09 | C04 | C03 | C02 | 0.2° | 0.0° |
| C09 | C04 | C03 | C05 | 179.5° | 180.0° |
| C09 | C04 | C05 | F06 | 60.9° | 60.0° |
| C09 | C04 | C05 | F08 | 58.1° | 180.0° |
| C09 | C04 | C05 | F07 | 176.4° | 60.0° |
| C09 | C04 | C03 | H031 | 179.8° | 180.0° |
| N01 | C02 | C03 | C04 | 179.8° | 180.0° |
| N01 | C02 | C15 | H151 | 0.4° | 0.1° |
| C02 | N01 | H011 | H012 | 120.0° | 180.0° |
| N01 | C02 | C03 | H031 | 0.1° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 179.7° | 180.0° |
| C03 | C02 | C15 | H151 | 179.8° | 180.0° |
| C03 | C02 | N01 | H011 | 0.1° | 180.0° |
| C03 | C02 | N01 | H012 | 119.8° | 0.1° |
| C03 | C04 | C05 | F06 | 119.6° | 120.0° |
| C03 | C04 | C05 | F08 | 121.4° | 0.0° |
| C03 | C04 | C05 | F07 | 3.1° | 120.0° |
| C03 | C04 | C09 | H091 | 179.9° | 180.0° |
| C04 | C05 | F06 | F08 | 118.3° | 120.0° |
| C04 | C05 | F06 | F07 | 124.5° | 120.0° |
| C04 | C05 | F08 | F07 | 121.6° | 120.0° |
| C05 | C04 | C03 | H031 | 0.3° | 0.0° |
| C05 | C04 | C09 | H091 | 0.4° | 0.0° |
| F06 | C05 | F08 | F07 | 118.5° | 120.0° |
