A1EUX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | N02 | sing | 1.46Å | 1.45Å | |
| N02 | N01 | sing | 1.40Å | 1.30Å | Aromatic |
| N02 | C05 | sing | 1.37Å | 1.44Å | Aromatic |
| N01 | C07 | doub | 1.30Å | 1.29Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.36Å | Aromatic |
| C05 | C04 | sing | 1.41Å | 1.47Å | Aromatic |
| C07 | C04 | sing | 1.46Å | 1.48Å | Aromatic |
| C06 | C01 | sing | 1.36Å | 1.43Å | Aromatic |
| C04 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
| C01 | C02 | doub | 1.40Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | N03 | sing | 1.40Å | 1.46Å | |
| N03 | C09 | sing | 1.46Å | 1.46Å | |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C03 | H02 | sing | 1.08Å | 1.08Å | |
| C06 | H03 | sing | 1.08Å | 1.08Å | |
| C07 | H04 | sing | 1.08Å | 1.08Å | |
| C08 | H06 | sing | 1.09Å | 1.10Å | |
| C08 | H07 | sing | 1.09Å | 1.10Å | |
| C08 | H05 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| N03 | H08 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | N02 | N01 | 118.1° | 125.4° |
| C08 | N02 | C05 | 119.8° | 125.4° |
| N02 | C08 | H06 | 109.5° | 109.5° |
| N02 | C08 | H07 | 109.4° | 109.5° |
| N02 | C08 | H05 | 109.5° | 109.5° |
| N01 | N02 | C05 | 122.1° | 109.1° |
| N02 | N01 | C07 | 96.7° | 110.1° |
| N02 | C05 | C06 | 138.3° | 133.7° |
| N02 | C05 | C04 | 100.8° | 106.6° |
| N01 | C07 | C04 | 122.5° | 107.8° |
| N01 | C07 | H04 | 118.7° | 126.1° |
| C06 | C05 | C04 | 120.9° | 119.7° |
| C05 | C06 | C01 | 119.2° | 120.1° |
| C05 | C06 | H03 | 120.4° | 119.9° |
| C05 | C04 | C07 | 97.8° | 106.3° |
| C05 | C04 | C03 | 118.8° | 119.7° |
| C07 | C04 | C03 | 143.3° | 134.0° |
| C04 | C07 | H04 | 118.8° | 126.1° |
| C06 | C01 | C02 | 121.3° | 120.8° |
| C06 | C01 | H01 | 119.4° | 119.6° |
| C01 | C06 | H03 | 120.4° | 120.0° |
| C04 | C03 | C02 | 120.6° | 119.5° |
| C04 | C03 | H02 | 119.7° | 120.2° |
| C01 | C02 | C03 | 119.2° | 120.3° |
| C01 | C02 | N03 | 118.4° | 119.8° |
| C02 | C01 | H01 | 119.3° | 119.6° |
| C03 | C02 | N03 | 122.4° | 119.9° |
| C02 | C03 | H02 | 119.7° | 120.3° |
| C02 | N03 | C09 | 120.9° | 120.0° |
| C02 | N03 | H08 | 106.6° | 120.0° |
| N03 | C09 | H11 | 109.5° | 109.5° |
| N03 | C09 | H10 | 109.4° | 109.5° |
| N03 | C09 | H09 | 109.5° | 109.5° |
| C09 | N03 | H08 | 106.5° | 120.0° |
| H06 | C08 | H07 | 109.5° | 109.4° |
| H06 | C08 | H05 | 109.5° | 109.5° |
| H07 | C08 | H05 | 109.5° | 109.5° |
| H11 | C09 | H10 | 109.5° | 109.4° |
| H11 | C09 | H09 | 109.5° | 109.5° |
| H10 | C09 | H09 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | N02 | N01 | C05 | 179.3° | 179.7° |
| C08 | N02 | N01 | C07 | 179.9° | 180.0° |
| C08 | N02 | C05 | C06 | 1.2° | 0.5° |
| C08 | N02 | C05 | C04 | 179.8° | 180.0° |
| N02 | C08 | H06 | H07 | 120.0° | 120.0° |
| N02 | C08 | H06 | H05 | 120.0° | 120.0° |
| N02 | C08 | H07 | H05 | 120.0° | 120.0° |
| N01 | N02 | C05 | C06 | 179.6° | 179.7° |
| N01 | N02 | C05 | C04 | 0.9° | 0.3° |
| N02 | N01 | C07 | C04 | 0.1° | 0.1° |
| N02 | N01 | C07 | H04 | 179.9° | 179.9° |
| N01 | N02 | C08 | H06 | 0.0° | 90.0° |
| N01 | N02 | C08 | H07 | 120.0° | 150.0° |
| N01 | N02 | C08 | H05 | 120.0° | 29.9° |
| C05 | N02 | N01 | C07 | 0.6° | 0.2° |
| N02 | C05 | C06 | C04 | 178.5° | 179.4° |
| N02 | C05 | C04 | C07 | 0.6° | 0.2° |
| N02 | C05 | C06 | C01 | 178.9° | 180.0° |
| N02 | C05 | C04 | C03 | 179.5° | 179.8° |
| N02 | C05 | C06 | H03 | 1.1° | 0.6° |
| C05 | N02 | C08 | H06 | 179.3° | 90.3° |
| C05 | N02 | C08 | H07 | 59.3° | 29.7° |
| C05 | N02 | C08 | H05 | 60.7° | 149.8° |
| N01 | C07 | C04 | C05 | 0.4° | 0.0° |
| N01 | C07 | C04 | H04 | 180.0° | 180.0° |
| N01 | C07 | C04 | C03 | 179.8° | 180.0° |
| C06 | C05 | C04 | C07 | 179.6° | 179.7° |
| C05 | C06 | C01 | H03 | 180.0° | 179.4° |
| C06 | C05 | C04 | C03 | 0.5° | 0.3° |
| C05 | C06 | C01 | C02 | 0.3° | 0.6° |
| C05 | C06 | C01 | H01 | 179.7° | 179.7° |
| C05 | C04 | C07 | C03 | 179.8° | 180.0° |
| C04 | C05 | C06 | C01 | 0.5° | 0.6° |
| C05 | C04 | C03 | C02 | 0.4° | 0.0° |
| C05 | C04 | C03 | H02 | 179.6° | 180.0° |
| C04 | C05 | C06 | H03 | 179.5° | 180.0° |
| C05 | C04 | C07 | H04 | 179.6° | 180.0° |
| C07 | C04 | C03 | C02 | 179.8° | 180.0° |
| C07 | C04 | C03 | H02 | 0.2° | 0.0° |
| C06 | C01 | C02 | H01 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.2° | 0.3° |
| C06 | C01 | C02 | N03 | 180.0° | 179.7° |
| C04 | C03 | C02 | C01 | 0.2° | 0.0° |
| C04 | C03 | C02 | H02 | 180.0° | 180.0° |
| C04 | C03 | C02 | N03 | 179.9° | 180.0° |
| C03 | C04 | C07 | H04 | 0.2° | 0.0° |
| C01 | C02 | C03 | N03 | 179.9° | 180.0° |
| C01 | C02 | N03 | C09 | 95.3° | 0.0° |
| C01 | C02 | C03 | H02 | 179.8° | 180.0° |
| C02 | C01 | C06 | H03 | 179.7° | 180.0° |
| C01 | C02 | N03 | H08 | 26.3° | 180.0° |
| C03 | C02 | N03 | C09 | 84.8° | 180.0° |
| C03 | C02 | C01 | H01 | 179.8° | 180.0° |
| C03 | C02 | N03 | H08 | 153.6° | 0.0° |
| C02 | N03 | C09 | H08 | 121.6° | 180.0° |
| N03 | C02 | C01 | H01 | 0.0° | 0.0° |
| N03 | C02 | C03 | H02 | 0.1° | 0.0° |
| C02 | N03 | C09 | H11 | 180.0° | 180.0° |
| C02 | N03 | C09 | H10 | 60.0° | 60.0° |
| C02 | N03 | C09 | H09 | 60.0° | 60.0° |
| N03 | C09 | H11 | H10 | 120.0° | 120.0° |
| N03 | C09 | H11 | H09 | 120.0° | 120.0° |
| N03 | C09 | H10 | H09 | 120.0° | 120.0° |
| H01 | C01 | C06 | H03 | 0.3° | 0.3° |
| H06 | C08 | H07 | H05 | 120.0° | 120.0° |
| H11 | C09 | H10 | H09 | 120.0° | 120.0° |
| H11 | C09 | N03 | H08 | 58.4° | 0.0° |
| H10 | C09 | N03 | H08 | 178.4° | 120.0° |
| H09 | C09 | N03 | H08 | 61.6° | 120.0° |
