A1CON
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F13 | C10 | sing | 1.40Å | 1.36Å | |
| F12 | C10 | sing | 1.40Å | 1.37Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C10 | F11 | sing | 1.40Å | 1.36Å | |
| C09 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | N15 | sing | 1.32Å | 1.32Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| N15 | C06 | doub | 1.32Å | 1.32Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | S05 | sing | 1.76Å | 1.82Å | |
| S05 | C04 | sing | 1.81Å | 1.82Å | |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| O03 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | N01 | sing | 1.35Å | 1.45Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| N01 | H6 | sing | 0.97Å | 1.00Å | |
| N01 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F13 | C10 | F12 | 109.6° | 109.4° |
| F13 | C10 | C09 | 109.3° | 109.5° |
| F13 | C10 | F11 | 109.2° | 109.5° |
| F12 | C10 | C09 | 109.8° | 109.5° |
| F12 | C10 | F11 | 109.8° | 109.4° |
| C09 | C10 | F11 | 109.1° | 109.5° |
| C10 | C09 | C14 | 120.4° | 120.3° |
| C10 | C09 | C08 | 119.7° | 120.4° |
| C14 | C09 | C08 | 119.9° | 119.3° |
| C09 | C14 | N15 | 121.0° | 120.8° |
| C09 | C14 | H5 | 119.5° | 119.6° |
| C09 | C08 | C07 | 117.1° | 118.5° |
| C09 | C08 | H4 | 121.4° | 120.7° |
| C14 | N15 | C06 | 121.1° | 121.7° |
| N15 | C14 | H5 | 119.5° | 119.6° |
| C08 | C07 | C06 | 120.4° | 119.1° |
| C08 | C07 | H3 | 119.8° | 120.5° |
| C07 | C08 | H4 | 121.4° | 120.7° |
| N15 | C06 | C07 | 120.5° | 120.6° |
| N15 | C06 | S05 | 120.2° | 119.7° |
| C07 | C06 | S05 | 119.3° | 119.7° |
| C06 | C07 | H3 | 119.8° | 120.5° |
| C06 | S05 | C04 | 109.8° | 103.0° |
| S05 | C04 | C02 | 110.2° | 109.5° |
| S05 | C04 | H1 | 109.3° | 109.5° |
| S05 | C04 | H2 | 109.3° | 109.5° |
| C04 | C02 | O03 | 120.1° | 120.0° |
| C04 | C02 | N01 | 119.9° | 120.0° |
| C02 | C04 | H1 | 109.3° | 109.5° |
| C02 | C04 | H2 | 109.3° | 109.5° |
| O03 | C02 | N01 | 120.0° | 120.0° |
| C02 | N01 | H6 | 120.0° | 120.0° |
| C02 | N01 | H7 | 120.0° | 120.0° |
| H1 | C04 | H2 | 109.5° | 109.5° |
| H6 | N01 | H7 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F13 | C10 | F12 | C09 | 120.1° | 120.0° |
| F13 | C10 | F12 | F11 | 119.9° | 120.0° |
| F13 | C10 | C09 | F11 | 119.4° | 120.1° |
| F13 | C10 | C09 | C14 | 135.6° | 120.0° |
| F13 | C10 | C09 | C08 | 44.7° | 60.0° |
| F12 | C10 | C09 | F11 | 120.4° | 120.0° |
| F12 | C10 | C09 | C14 | 15.4° | 120.0° |
| F12 | C10 | C09 | C08 | 165.0° | 60.0° |
| C10 | C09 | C14 | C08 | 179.7° | 180.0° |
| C10 | C09 | C14 | N15 | 179.8° | 179.7° |
| C10 | C09 | C08 | C07 | 180.0° | 180.0° |
| C10 | C09 | C08 | H4 | 0.0° | 0.0° |
| C10 | C09 | C14 | H5 | 0.1° | 0.1° |
| F11 | C10 | C09 | C14 | 105.0° | 0.0° |
| F11 | C10 | C09 | C08 | 74.7° | 180.0° |
| C09 | C14 | N15 | H5 | 180.0° | 179.8° |
| C14 | C09 | C08 | C07 | 0.3° | 0.0° |
| C09 | C14 | N15 | C06 | 0.1° | 0.5° |
| C14 | C09 | C08 | H4 | 179.7° | 180.0° |
| C08 | C09 | C14 | N15 | 0.1° | 0.3° |
| C09 | C08 | C07 | H4 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.2° | 0.0° |
| C09 | C08 | C07 | H3 | 179.8° | 180.0° |
| C08 | C09 | C14 | H5 | 179.8° | 179.9° |
| C14 | N15 | C06 | C07 | 0.1° | 0.5° |
| C14 | N15 | C06 | S05 | 180.0° | 179.7° |
| C08 | C07 | C06 | N15 | 0.0° | 0.3° |
| C08 | C07 | C06 | H3 | 180.0° | 180.0° |
| C08 | C07 | C06 | S05 | 179.9° | 180.0° |
| N15 | C06 | C07 | S05 | 179.9° | 179.7° |
| N15 | C06 | S05 | C04 | 36.5° | 0.3° |
| N15 | C06 | C07 | H3 | 180.0° | 179.7° |
| C06 | N15 | C14 | H5 | 180.0° | 179.7° |
| C07 | C06 | S05 | C04 | 143.5° | 180.0° |
| C06 | C07 | C08 | H4 | 179.7° | 180.0° |
| C06 | S05 | C04 | C02 | 160.4° | 180.0° |
| C06 | S05 | C04 | H1 | 40.3° | 60.0° |
| C06 | S05 | C04 | H2 | 79.5° | 60.0° |
| S05 | C06 | C07 | H3 | 0.1° | 0.0° |
| S05 | C04 | C02 | H1 | 120.1° | 120.0° |
| S05 | C04 | C02 | H2 | 120.1° | 120.1° |
| S05 | C04 | C02 | O03 | 34.2° | 0.0° |
| S05 | C04 | C02 | N01 | 146.2° | 180.0° |
| S05 | C04 | H1 | H2 | 119.7° | 120.0° |
| C04 | C02 | O03 | N01 | 179.6° | 179.9° |
| C02 | C04 | H1 | H2 | 119.6° | 120.0° |
| C04 | C02 | N01 | H6 | 179.6° | 0.0° |
| C04 | C02 | N01 | H7 | 0.4° | 180.0° |
| O03 | C02 | C04 | H1 | 154.3° | 119.9° |
| O03 | C02 | C04 | H2 | 85.9° | 120.1° |
| O03 | C02 | N01 | H6 | 0.0° | 179.9° |
| O03 | C02 | N01 | H7 | 180.0° | 0.1° |
| N01 | C02 | C04 | H1 | 26.1° | 60.0° |
| N01 | C02 | C04 | H2 | 93.7° | 60.0° |
| C02 | N01 | H6 | H7 | 180.0° | 180.0° |
| H3 | C07 | C08 | H4 | 0.3° | 0.0° |






