A1CP8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.35Å | 1.45Å | |
| N04 | C02 | sing | 1.35Å | 1.46Å | |
| N04 | C05 | sing | 1.40Å | 1.46Å | |
| C02 | O03 | doub | 1.22Å | 1.19Å | |
| C15 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| F13 | C10 | sing | 1.40Å | 1.36Å | |
| C05 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| F12 | C10 | sing | 1.40Å | 1.36Å | |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | O09 | sing | 1.43Å | 1.40Å | |
| C10 | F11 | sing | 1.40Å | 1.36Å | |
| C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | O09 | sing | 1.36Å | 1.40Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å | |
| N01 | H6 | sing | 0.97Å | 1.00Å | |
| N04 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | N04 | 118.6° | 120.0° |
| N01 | C02 | O03 | 118.7° | 120.0° |
| C02 | N01 | H5 | 120.0° | 120.0° |
| C02 | N01 | H6 | 120.0° | 120.0° |
| C02 | N04 | C05 | 125.8° | 120.0° |
| N04 | C02 | O03 | 122.7° | 120.0° |
| C02 | N04 | H7 | 117.1° | 120.0° |
| N04 | C05 | C15 | 118.4° | 120.1° |
| N04 | C05 | C06 | 122.7° | 120.0° |
| C05 | N04 | H7 | 117.1° | 120.0° |
| C05 | C15 | C14 | 120.7° | 120.0° |
| C15 | C05 | C06 | 118.9° | 119.9° |
| C05 | C15 | H1 | 119.7° | 119.9° |
| C15 | C14 | C08 | 120.0° | 120.1° |
| C14 | C15 | H1 | 119.7° | 120.0° |
| C15 | C14 | H4 | 120.0° | 120.0° |
| F13 | C10 | F12 | 109.1° | 109.5° |
| F13 | C10 | O09 | 109.7° | 109.5° |
| F13 | C10 | F11 | 109.2° | 109.4° |
| C05 | C06 | C07 | 120.8° | 120.0° |
| C05 | C06 | H2 | 119.6° | 120.0° |
| C14 | C08 | C07 | 119.7° | 120.0° |
| C14 | C08 | O09 | 119.9° | 120.1° |
| C08 | C14 | H4 | 120.0° | 120.0° |
| F12 | C10 | O09 | 111.6° | 109.5° |
| F12 | C10 | F11 | 108.5° | 109.5° |
| C06 | C07 | C08 | 120.0° | 120.0° |
| C07 | C06 | H2 | 119.6° | 120.0° |
| C06 | C07 | H3 | 120.0° | 120.0° |
| O09 | C10 | F11 | 108.7° | 109.5° |
| C10 | O09 | C08 | 118.2° | 117.0° |
| C07 | C08 | O09 | 120.4° | 119.9° |
| C08 | C07 | H3 | 120.0° | 120.0° |
| H5 | N01 | H6 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N04 | O03 | 179.9° | 179.9° |
| N01 | C02 | N04 | C05 | 180.0° | 174.7° |
| C02 | N01 | H5 | H6 | 180.0° | 179.9° |
| N01 | C02 | N04 | H7 | 0.0° | 5.2° |
| C02 | N04 | C05 | H7 | 180.0° | 179.9° |
| C02 | N04 | C05 | C15 | 171.9° | 146.8° |
| C02 | N04 | C05 | C06 | 8.4° | 33.3° |
| N04 | C02 | N01 | H5 | 179.9° | 180.0° |
| N04 | C02 | N01 | H6 | 0.1° | 0.1° |
| C05 | N04 | C02 | O03 | 0.1° | 5.4° |
| N04 | C05 | C15 | C06 | 179.7° | 179.9° |
| N04 | C05 | C15 | C14 | 180.0° | 180.0° |
| N04 | C05 | C06 | C07 | 180.0° | 180.0° |
| N04 | C05 | C15 | H1 | 0.0° | 0.3° |
| N04 | C05 | C06 | H2 | 0.0° | 0.0° |
| O03 | C02 | N01 | H5 | 0.0° | 0.1° |
| O03 | C02 | N01 | H6 | 180.0° | 180.0° |
| O03 | C02 | N04 | H7 | 180.0° | 174.7° |
| C05 | C15 | C14 | H1 | 180.0° | 179.7° |
| C05 | C15 | C14 | C08 | 0.6° | 0.0° |
| C15 | C05 | C06 | C07 | 0.3° | 0.0° |
| C15 | C05 | C06 | H2 | 179.7° | 179.9° |
| C05 | C15 | C14 | H4 | 179.4° | 179.9° |
| C15 | C05 | N04 | H7 | 8.1° | 33.3° |
| C14 | C15 | C05 | C06 | 0.3° | 0.1° |
| C15 | C14 | C08 | H4 | 180.0° | 180.0° |
| C15 | C14 | C08 | C07 | 0.8° | 0.0° |
| C15 | C14 | C08 | O09 | 179.4° | 180.0° |
| F13 | C10 | F12 | O09 | 121.4° | 120.0° |
| F13 | C10 | F12 | F11 | 118.9° | 120.0° |
| F13 | C10 | O09 | F11 | 119.3° | 120.0° |
| F13 | C10 | O09 | C08 | 76.4° | 180.0° |
| C05 | C06 | C07 | H2 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.6° | 0.0° |
| C06 | C05 | C15 | H1 | 179.7° | 179.7° |
| C05 | C06 | C07 | H3 | 179.4° | 180.0° |
| C06 | C05 | N04 | H7 | 171.6° | 146.7° |
| C14 | C08 | C07 | C06 | 0.8° | 0.0° |
| C14 | C08 | O09 | C10 | 97.6° | 0.0° |
| C14 | C08 | C07 | O09 | 178.6° | 179.9° |
| C08 | C14 | C15 | H1 | 179.4° | 179.7° |
| C14 | C08 | C07 | H3 | 179.2° | 180.0° |
| F12 | C10 | O09 | F11 | 119.6° | 120.0° |
| F12 | C10 | O09 | C08 | 44.7° | 60.0° |
| C06 | C07 | C08 | H3 | 180.0° | 180.0° |
| C06 | C07 | C08 | O09 | 179.4° | 180.0° |
| C10 | O09 | C08 | C07 | 83.8° | 180.0° |
| F11 | C10 | O09 | C08 | 164.3° | 60.0° |
| C08 | C07 | C06 | H2 | 179.4° | 180.0° |
| C07 | C08 | C14 | H4 | 179.2° | 180.0° |
| O09 | C08 | C07 | H3 | 0.6° | 0.0° |
| O09 | C08 | C14 | H4 | 0.6° | 0.1° |
| H1 | C15 | C14 | H4 | 0.6° | 0.3° |
| H2 | C06 | C07 | H3 | 0.6° | 0.1° |






