A1CPZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.35Å | 1.45Å | |
| C05 | C04 | doub | 1.36Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.42Å | 1.42Å | Aromatic |
| C02 | C04 | sing | 1.47Å | 1.53Å | |
| C02 | O03 | doub | 1.22Å | 1.19Å | |
| C07 | C06 | doub | 1.40Å | 1.42Å | Aromatic |
| C07 | C08 | sing | 1.36Å | 1.39Å | Aromatic |
| C04 | N13 | sing | 1.38Å | 1.33Å | Aromatic |
| C06 | C12 | sing | 1.41Å | 1.37Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| N13 | C12 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C09 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | BR10 | sing | 1.89Å | 1.93Å | |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å | |
| N01 | H6 | sing | 0.97Å | 1.00Å | |
| N13 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C04 | 119.7° | 120.0° |
| N01 | C02 | O03 | 120.1° | 120.0° |
| C02 | N01 | H5 | 120.0° | 120.0° |
| C02 | N01 | H6 | 120.0° | 120.0° |
| C04 | C05 | C06 | 106.5° | 107.8° |
| C05 | C04 | C02 | 125.0° | 125.5° |
| C05 | C04 | N13 | 108.5° | 109.1° |
| C04 | C05 | H1 | 126.7° | 126.1° |
| C05 | C06 | C07 | 133.4° | 133.4° |
| C05 | C06 | C12 | 106.4° | 106.9° |
| C06 | C05 | H1 | 126.8° | 126.1° |
| C04 | C02 | O03 | 120.2° | 120.0° |
| C02 | C04 | N13 | 126.5° | 125.4° |
| C06 | C07 | C08 | 120.3° | 119.8° |
| C07 | C06 | C12 | 120.2° | 119.7° |
| C06 | C07 | H2 | 119.8° | 120.1° |
| C07 | C08 | C09 | 119.0° | 120.7° |
| C08 | C07 | H2 | 119.8° | 120.1° |
| C07 | C08 | H3 | 120.5° | 119.6° |
| C04 | N13 | C12 | 110.0° | 108.8° |
| C04 | N13 | H7 | 125.0° | 125.7° |
| C06 | C12 | N13 | 108.6° | 107.4° |
| C06 | C12 | C11 | 119.8° | 119.5° |
| C08 | C09 | C11 | 121.2° | 120.6° |
| C08 | C09 | BR10 | 119.5° | 119.7° |
| C09 | C08 | H3 | 120.5° | 119.7° |
| N13 | C12 | C11 | 131.5° | 133.1° |
| C12 | N13 | H7 | 125.0° | 125.6° |
| C12 | C11 | C09 | 119.5° | 119.8° |
| C12 | C11 | H4 | 120.3° | 120.2° |
| C11 | C09 | BR10 | 119.3° | 119.7° |
| C09 | C11 | H4 | 120.3° | 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 | C04 | C05 | 14.5° | 179.4° |
| N01 | C02 | C04 | O03 | 179.7° | 179.7° |
| N01 | C02 | C04 | N13 | 165.7° | 0.2° |
| C02 | N01 | H5 | H6 | 180.0° | 180.0° |
| C04 | C05 | C06 | H1 | 180.0° | 180.0° |
| C05 | C04 | C02 | N13 | 179.8° | 179.6° |
| C05 | C04 | C02 | O03 | 165.2° | 0.3° |
| C04 | C05 | C06 | C07 | 179.9° | 180.0° |
| C04 | C05 | C06 | C12 | 0.1° | 0.0° |
| C05 | C04 | N13 | C12 | 0.0° | 0.5° |
| C05 | C04 | N13 | H7 | 180.0° | 179.7° |
| C06 | C05 | C04 | C02 | 179.9° | 180.0° |
| C05 | C06 | C07 | C12 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 179.8° | 180.0° |
| C06 | C05 | C04 | N13 | 0.1° | 0.3° |
| C05 | C06 | C12 | N13 | 0.1° | 0.3° |
| C05 | C06 | C12 | C11 | 179.9° | 180.0° |
| C05 | C06 | C07 | H2 | 0.2° | 0.1° |
| C02 | C04 | N13 | C12 | 179.8° | 179.8° |
| C02 | C04 | C05 | H1 | 0.1° | 0.0° |
| C04 | C02 | N01 | H5 | 179.7° | 0.0° |
| C04 | C02 | N01 | H6 | 0.4° | 180.0° |
| C02 | C04 | N13 | H7 | 0.2° | 0.0° |
| O03 | C02 | C04 | N13 | 14.6° | 180.0° |
| O03 | C02 | N01 | H5 | 0.0° | 179.7° |
| O03 | C02 | N01 | H6 | 180.0° | 0.3° |
| C06 | C07 | C08 | H2 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.2° | 0.0° |
| C07 | C06 | C12 | N13 | 179.9° | 179.7° |
| C07 | C06 | C12 | C11 | 0.1° | 0.1° |
| C07 | C06 | C05 | H1 | 0.1° | 0.0° |
| C06 | C07 | C08 | H3 | 179.8° | 179.9° |
| C08 | C07 | C06 | C12 | 0.2° | 0.0° |
| C07 | C08 | C09 | H3 | 180.0° | 180.0° |
| C07 | C08 | C09 | C11 | 0.1° | 0.0° |
| C07 | C08 | C09 | BR10 | 179.8° | 180.0° |
| C04 | N13 | C12 | C06 | 0.1° | 0.5° |
| C04 | N13 | C12 | H7 | 180.0° | 179.8° |
| C04 | N13 | C12 | C11 | 179.9° | 179.8° |
| N13 | C04 | C05 | H1 | 180.0° | 179.7° |
| C06 | C12 | N13 | C11 | 179.9° | 179.7° |
| C06 | C12 | C11 | C09 | 0.0° | 0.1° |
| C12 | C06 | C05 | H1 | 179.9° | 180.0° |
| C12 | C06 | C07 | H2 | 179.9° | 180.0° |
| C06 | C12 | C11 | H4 | 180.0° | 180.0° |
| C06 | C12 | N13 | H7 | 179.9° | 179.7° |
| C08 | C09 | C11 | C12 | 0.1° | 0.0° |
| C08 | C09 | C11 | BR10 | 180.0° | 180.0° |
| C09 | C08 | C07 | H2 | 179.8° | 180.0° |
| C08 | C09 | C11 | H4 | 179.9° | 180.0° |
| N13 | C12 | C11 | C09 | 179.9° | 179.6° |
| N13 | C12 | C11 | H4 | 0.1° | 0.4° |
| C12 | C11 | C09 | H4 | 180.0° | 180.0° |
| C12 | C11 | C09 | BR10 | 179.9° | 180.0° |
| C11 | C12 | N13 | H7 | 0.1° | 0.1° |
| C11 | C09 | C08 | H3 | 179.9° | 179.9° |
| BR10 | C09 | C08 | H3 | 0.2° | 0.0° |
| BR10 | C09 | C11 | H4 | 0.1° | 0.0° |
| H2 | C07 | C08 | H3 | 0.2° | 0.0° |
