A1E2W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N01 | sing | 1.35Å | 1.34Å | Aromatic |
| C01 | N02 | doub | 1.31Å | 1.41Å | Aromatic |
| N01 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| N06 | C06 | sing | 1.35Å | 1.45Å | |
| N02 | C03 | sing | 1.34Å | 1.40Å | Aromatic |
| C02 | C06 | sing | 1.46Å | 1.53Å | |
| C02 | C03 | doub | 1.39Å | 1.44Å | Aromatic |
| C06 | O01 | doub | 1.22Å | 1.19Å | |
| C03 | N03 | sing | 1.37Å | 1.45Å | |
| N03 | N04 | doub | 1.29Å | 1.42Å | |
| N04 | N05 | sing | 1.40Å | 1.42Å | |
| C05 | N05 | sing | 1.46Å | 1.46Å | |
| N05 | C04 | sing | 1.47Å | 1.46Å | |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C04 | H03 | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H08 | sing | 1.09Å | 1.10Å | |
| C05 | H07 | sing | 1.09Å | 1.10Å | |
| C05 | H06 | sing | 1.09Å | 1.10Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N06 | H09 | sing | 0.97Å | 1.00Å | |
| N06 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C01 | N02 | 108.8° | 109.9° |
| C01 | N01 | C02 | 109.1° | 107.3° |
| N01 | C01 | H01 | 125.6° | 125.1° |
| C01 | N01 | H1 | 125.4° | 126.4° |
| C01 | N02 | C03 | 108.7° | 109.8° |
| N02 | C01 | H01 | 125.6° | 125.1° |
| N01 | C02 | C06 | 120.5° | 127.0° |
| N01 | C02 | C03 | 108.7° | 105.9° |
| C02 | N01 | H1 | 125.4° | 126.4° |
| N06 | C06 | C02 | 116.1° | 120.0° |
| N06 | C06 | O01 | 119.8° | 120.0° |
| C06 | N06 | H09 | 120.0° | 120.0° |
| C06 | N06 | H10 | 120.0° | 120.0° |
| N02 | C03 | C02 | 104.6° | 107.2° |
| N02 | C03 | N03 | 123.9° | 126.4° |
| C06 | C02 | C03 | 130.7° | 127.0° |
| C02 | C06 | O01 | 124.0° | 120.0° |
| C02 | C03 | N03 | 131.5° | 126.4° |
| C03 | N03 | N04 | 120.3° | 120.0° |
| N03 | N04 | N05 | 107.1° | 120.0° |
| N04 | N05 | C05 | 106.9° | 120.0° |
| N04 | N05 | C04 | 114.6° | 120.0° |
| C05 | N05 | C04 | 110.8° | 120.0° |
| N05 | C05 | H08 | 109.5° | 109.5° |
| N05 | C05 | H07 | 109.5° | 109.5° |
| N05 | C05 | H06 | 109.5° | 109.4° |
| N05 | C04 | H03 | 109.5° | 109.4° |
| N05 | C04 | H04 | 109.4° | 109.5° |
| N05 | C04 | H05 | 109.5° | 109.5° |
| H03 | C04 | H04 | 109.5° | 109.5° |
| H03 | C04 | H05 | 109.5° | 109.5° |
| H04 | C04 | H05 | 109.4° | 109.5° |
| H08 | C05 | H07 | 109.5° | 109.5° |
| H08 | C05 | H06 | 109.4° | 109.4° |
| H07 | C05 | H06 | 109.5° | 109.5° |
| H09 | N06 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C01 | N02 | H01 | 180.0° | 179.7° |
| C01 | N01 | C02 | H1 | 180.0° | 180.0° |
| N01 | C01 | N02 | C03 | 0.5° | 0.0° |
| C01 | N01 | C02 | C06 | 177.8° | 180.0° |
| C01 | N01 | C02 | C03 | 0.4° | 0.0° |
| N02 | C01 | N01 | C02 | 0.5° | 0.0° |
| C01 | N02 | C03 | C02 | 0.2° | 0.0° |
| C01 | N02 | C03 | N03 | 179.5° | 180.0° |
| N02 | C01 | N01 | H1 | 179.5° | 180.0° |
| N01 | C02 | C06 | N06 | 12.6° | 0.0° |
| N01 | C02 | C03 | N02 | 0.1° | 0.0° |
| N01 | C02 | C06 | C03 | 176.7° | 180.0° |
| N01 | C02 | C06 | O01 | 171.6° | 180.0° |
| N01 | C02 | C03 | N03 | 179.8° | 180.0° |
| C02 | N01 | C01 | H01 | 179.5° | 179.7° |
| N06 | C06 | C02 | O01 | 175.8° | 180.0° |
| N06 | C06 | C02 | C03 | 164.1° | 180.0° |
| C06 | N06 | H09 | H10 | 180.0° | 180.0° |
| N02 | C03 | C02 | C06 | 177.1° | 180.0° |
| N02 | C03 | C02 | N03 | 179.7° | 180.0° |
| N02 | C03 | N03 | N04 | 12.2° | 0.0° |
| C03 | N02 | C01 | H01 | 179.5° | 179.7° |
| C06 | C02 | C03 | N03 | 3.2° | 0.0° |
| C06 | C02 | N01 | H1 | 2.2° | 0.0° |
| C02 | C06 | N06 | H09 | 176.0° | 0.0° |
| C02 | C06 | N06 | H10 | 4.0° | 180.0° |
| C03 | C02 | C06 | O01 | 11.7° | 0.0° |
| C02 | C03 | N03 | N04 | 168.1° | 180.0° |
| C03 | C02 | N01 | H1 | 179.6° | 180.0° |
| O01 | C06 | N06 | H09 | 0.0° | 180.0° |
| O01 | C06 | N06 | H10 | 180.0° | 0.0° |
| C03 | N03 | N04 | N05 | 118.8° | 180.0° |
| N03 | N04 | N05 | C05 | 102.2° | 0.0° |
| N03 | N04 | N05 | C04 | 134.6° | 180.0° |
| N04 | N05 | C05 | C04 | 125.5° | 180.0° |
| N04 | N05 | C04 | H03 | 180.0° | 180.0° |
| N04 | N05 | C04 | H04 | 60.0° | 60.0° |
| N04 | N05 | C04 | H05 | 60.0° | 60.0° |
| N04 | N05 | C05 | H08 | 180.0° | 89.9° |
| N04 | N05 | C05 | H07 | 60.0° | 150.0° |
| N04 | N05 | C05 | H06 | 60.0° | 29.9° |
| C05 | N05 | C04 | H03 | 58.9° | 0.0° |
| C05 | N05 | C04 | H04 | 178.9° | 120.0° |
| C05 | N05 | C04 | H05 | 61.2° | 120.0° |
| N05 | C05 | H08 | H07 | 120.0° | 120.0° |
| N05 | C05 | H08 | H06 | 120.0° | 119.9° |
| N05 | C05 | H07 | H06 | 120.0° | 120.0° |
| N05 | C04 | H03 | H04 | 120.0° | 120.0° |
| N05 | C04 | H03 | H05 | 120.0° | 120.0° |
| N05 | C04 | H04 | H05 | 120.0° | 120.0° |
| C04 | N05 | C05 | H08 | 54.5° | 90.1° |
| C04 | N05 | C05 | H07 | 65.6° | 30.0° |
| C04 | N05 | C05 | H06 | 174.4° | 150.1° |
| H01 | C01 | N01 | H1 | 0.5° | 0.3° |
| H03 | C04 | H04 | H05 | 120.0° | 120.0° |
| H08 | C05 | H07 | H06 | 120.0° | 120.0° |
