A1EUY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C04 | doub | 1.36Å | 1.36Å | Aromatic |
| C03 | C01 | sing | 1.41Å | 1.61Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.15Å | Aromatic |
| C05 | C06 | doub | 1.36Å | 1.15Å | Aromatic |
| C01 | N02 | sing | 1.34Å | 1.28Å | Aromatic |
| C01 | C02 | doub | 1.42Å | 1.53Å | Aromatic |
| N02 | C08 | doub | 1.31Å | 1.34Å | Aromatic |
| C06 | C02 | sing | 1.41Å | 1.30Å | Aromatic |
| C02 | N01 | sing | 1.34Å | 1.29Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.44Å | Aromatic |
| N01 | C07 | doub | 1.31Å | 1.34Å | Aromatic |
| C07 | CL01 | sing | 1.74Å | 1.77Å | |
| C03 | H01 | sing | 1.08Å | 1.08Å | |
| C04 | H02 | sing | 1.08Å | 1.08Å | |
| C05 | H03 | sing | 1.08Å | 1.08Å | |
| C06 | H04 | sing | 1.08Å | 1.08Å | |
| C08 | H05 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | C01 | 117.1° | 119.8° |
| C03 | C04 | C05 | 117.2° | 120.9° |
| C04 | C03 | H01 | 121.5° | 120.1° |
| C03 | C04 | H02 | 121.4° | 119.5° |
| C03 | C01 | N02 | 129.3° | 121.1° |
| C03 | C01 | C02 | 111.4° | 119.3° |
| C01 | C03 | H01 | 121.4° | 120.1° |
| C04 | C05 | C06 | 132.5° | 121.0° |
| C05 | C04 | H02 | 121.4° | 119.5° |
| C04 | C05 | H03 | 113.7° | 119.5° |
| C05 | C06 | C02 | 132.1° | 119.7° |
| C06 | C05 | H03 | 113.8° | 119.6° |
| C05 | C06 | H04 | 114.0° | 120.2° |
| N02 | C01 | C02 | 119.4° | 119.6° |
| C01 | N02 | C08 | 119.6° | 119.7° |
| C01 | C02 | C06 | 109.8° | 119.3° |
| C01 | C02 | N01 | 121.7° | 119.6° |
| N02 | C08 | C07 | 119.7° | 120.7° |
| N02 | C08 | H05 | 120.1° | 119.6° |
| C06 | C02 | N01 | 128.5° | 121.1° |
| C02 | C06 | H04 | 114.0° | 120.1° |
| C02 | N01 | C07 | 116.8° | 119.7° |
| C08 | C07 | N01 | 122.9° | 120.6° |
| C08 | C07 | CL01 | 118.2° | 119.7° |
| C07 | C08 | H05 | 120.2° | 119.7° |
| N01 | C07 | CL01 | 119.0° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | C01 | H01 | 180.0° | 179.9° |
| C03 | C04 | C05 | H02 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.3° |
| C04 | C03 | C01 | N02 | 178.9° | 180.0° |
| C04 | C03 | C01 | C02 | 0.0° | 0.3° |
| C03 | C04 | C05 | H03 | 179.7° | 180.0° |
| C01 | C03 | C04 | C05 | 0.4° | 0.0° |
| C03 | C01 | N02 | C02 | 178.8° | 179.7° |
| C03 | C01 | N02 | C08 | 179.2° | 179.7° |
| C03 | C01 | C02 | C06 | 0.4° | 0.3° |
| C03 | C01 | C02 | N01 | 179.7° | 179.7° |
| C01 | C03 | C04 | H02 | 179.6° | 180.0° |
| C04 | C05 | C06 | H03 | 180.0° | 179.7° |
| C04 | C05 | C06 | C02 | 0.3° | 0.3° |
| C05 | C04 | C03 | H01 | 179.6° | 179.9° |
| C04 | C05 | C06 | H04 | 179.7° | 179.9° |
| C05 | C06 | C02 | C01 | 0.6° | 0.0° |
| C05 | C06 | C02 | H04 | 180.0° | 179.8° |
| C05 | C06 | C02 | N01 | 179.9° | 180.0° |
| C06 | C05 | C04 | H02 | 179.7° | 179.7° |
| N02 | C01 | C02 | C06 | 179.4° | 180.0° |
| N02 | C01 | C02 | N01 | 1.3° | 0.0° |
| C01 | N02 | C08 | C07 | 1.7° | 0.0° |
| N02 | C01 | C03 | H01 | 1.1° | 0.1° |
| C01 | N02 | C08 | H05 | 178.3° | 179.9° |
| C02 | C01 | N02 | C08 | 2.0° | 0.0° |
| C01 | C02 | C06 | N01 | 179.3° | 180.0° |
| C01 | C02 | N01 | C07 | 0.1° | 0.0° |
| C02 | C01 | C03 | H01 | 180.0° | 179.8° |
| C01 | C02 | C06 | H04 | 179.4° | 179.8° |
| N02 | C08 | C07 | H05 | 180.0° | 179.9° |
| N02 | C08 | C07 | N01 | 0.6° | 0.0° |
| N02 | C08 | C07 | CL01 | 179.2° | 180.0° |
| C06 | C02 | N01 | C07 | 179.3° | 180.0° |
| C02 | C06 | C05 | H03 | 179.7° | 180.0° |
| C02 | N01 | C07 | C08 | 0.1° | 0.0° |
| C02 | N01 | C07 | CL01 | 179.9° | 180.0° |
| N01 | C02 | C06 | H04 | 0.1° | 0.2° |
| C08 | C07 | N01 | CL01 | 179.8° | 180.0° |
| N01 | C07 | C08 | H05 | 179.4° | 179.9° |
| CL01 | C07 | C08 | H05 | 0.9° | 0.1° |
| H01 | C03 | C04 | H02 | 0.3° | 0.1° |
| H02 | C04 | C05 | H03 | 0.3° | 0.0° |
| H03 | C05 | C06 | H04 | 0.2° | 0.2° |
