A1EU2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N04 | C16 | doub | 1.30Å | 1.28Å | Aromatic |
| N04 | N05 | sing | 1.40Å | 1.30Å | Aromatic |
| C16 | C12 | sing | 1.46Å | 1.46Å | Aromatic |
| C17 | N05 | sing | 1.46Å | 1.46Å | |
| N05 | C13 | sing | 1.37Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.41Å | 1.47Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | C15 | doub | 1.37Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | N03 | sing | 1.40Å | 1.46Å | |
| C01 | C06 | sing | 1.53Å | 1.60Å | |
| C01 | C02 | sing | 1.53Å | 1.51Å | |
| C06 | C05 | sing | 1.50Å | 1.60Å | |
| N03 | C09 | sing | 1.46Å | 1.47Å | |
| N03 | C08 | sing | 1.39Å | 1.44Å | |
| C02 | C03 | sing | 1.53Å | 1.46Å | |
| C05 | C08 | doub | 1.40Å | 1.61Å | Aromatic |
| C05 | C04 | sing | 1.37Å | 1.44Å | Aromatic |
| C08 | N02 | sing | 1.33Å | 1.30Å | Aromatic |
| C03 | C04 | sing | 1.50Å | 1.48Å | |
| C04 | N01 | doub | 1.33Å | 1.43Å | Aromatic |
| N02 | C07 | doub | 1.32Å | 1.23Å | Aromatic |
| N01 | C07 | sing | 1.32Å | 1.23Å | Aromatic |
| C07 | CL01 | sing | 1.74Å | 1.78Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C02 | H03 | sing | 1.09Å | 1.10Å | |
| C02 | H04 | sing | 1.09Å | 1.10Å | |
| C03 | H05 | sing | 1.09Å | 1.10Å | |
| C03 | H06 | sing | 1.09Å | 1.10Å | |
| C06 | H07 | sing | 1.09Å | 1.10Å | |
| C06 | H08 | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N04 | N05 | 97.8° | 110.0° |
| N04 | C16 | C12 | 120.6° | 107.8° |
| N04 | C16 | H15 | 119.7° | 126.1° |
| N04 | N05 | C17 | 119.2° | 125.4° |
| N04 | N05 | C13 | 122.6° | 109.1° |
| C16 | C12 | C13 | 100.2° | 106.3° |
| C16 | C12 | C11 | 142.0° | 133.9° |
| C12 | C16 | H15 | 119.7° | 126.1° |
| C17 | N05 | C13 | 118.2° | 125.5° |
| N05 | C17 | H18 | 109.5° | 109.5° |
| N05 | C17 | H16 | 109.5° | 109.5° |
| N05 | C17 | H17 | 109.5° | 109.5° |
| N05 | C13 | C12 | 98.8° | 106.7° |
| N05 | C13 | C14 | 138.6° | 133.7° |
| C13 | C12 | C11 | 117.9° | 119.7° |
| C12 | C13 | C14 | 122.6° | 119.6° |
| C12 | C11 | C10 | 119.6° | 119.5° |
| C12 | C11 | H12 | 120.2° | 120.3° |
| C13 | C14 | C15 | 119.3° | 120.1° |
| C13 | C14 | H13 | 120.4° | 120.0° |
| C11 | C10 | C15 | 120.4° | 120.3° |
| C11 | C10 | N03 | 120.4° | 119.8° |
| C10 | C11 | H12 | 120.2° | 120.2° |
| C14 | C15 | C10 | 120.1° | 120.8° |
| C15 | C14 | H13 | 120.3° | 119.9° |
| C14 | C15 | H14 | 119.9° | 119.6° |
| C15 | C10 | N03 | 119.2° | 119.9° |
| C10 | C15 | H14 | 119.9° | 119.6° |
| C10 | N03 | C09 | 119.2° | 120.0° |
| C10 | N03 | C08 | 117.3° | 120.0° |
| C06 | C01 | C02 | 103.9° | 108.5° |
| C01 | C06 | C05 | 121.8° | 110.4° |
| C06 | C01 | H02 | 110.8° | 109.6° |
| C06 | C01 | H01 | 110.8° | 109.6° |
| C01 | C06 | H07 | 106.3° | 109.4° |
| C01 | C06 | H08 | 106.3° | 109.3° |
| C01 | C02 | C03 | 124.1° | 108.5° |
| C02 | C01 | H02 | 110.9° | 109.7° |
| C02 | C01 | H01 | 110.8° | 109.6° |
| C01 | C02 | H03 | 105.7° | 109.6° |
| C01 | C02 | H04 | 105.7° | 109.6° |
| C06 | C05 | C08 | 127.6° | 118.6° |
| C06 | C05 | C04 | 118.4° | 122.9° |
| C05 | C06 | H07 | 106.3° | 109.3° |
| C05 | C06 | H08 | 106.3° | 109.3° |
| C09 | N03 | C08 | 119.9° | 120.0° |
| N03 | C09 | H09 | 109.5° | 109.5° |
| N03 | C09 | H11 | 109.5° | 109.5° |
| N03 | C09 | H10 | 109.5° | 109.5° |
| N03 | C08 | C05 | 119.2° | 120.4° |
| N03 | C08 | N02 | 123.9° | 120.4° |
| C02 | C03 | C04 | 123.4° | 110.5° |
| C03 | C02 | H03 | 105.7° | 109.6° |
| C03 | C02 | H04 | 105.7° | 109.6° |
| C02 | C03 | H05 | 105.9° | 109.4° |
| C02 | C03 | H06 | 105.9° | 109.3° |
| C08 | C05 | C04 | 113.9° | 118.5° |
| C05 | C08 | N02 | 117.0° | 119.1° |
| C05 | C04 | C03 | 117.0° | 122.6° |
| C05 | C04 | N01 | 114.1° | 118.9° |
| C08 | N02 | C07 | 123.2° | 120.5° |
| C03 | C04 | N01 | 128.9° | 118.5° |
| C04 | C03 | H05 | 105.9° | 109.2° |
| C04 | C03 | H06 | 105.9° | 109.3° |
| C04 | N01 | C07 | 124.7° | 121.3° |
| N02 | C07 | N01 | 127.1° | 121.7° |
| N02 | C07 | CL01 | 115.6° | 119.2° |
| N01 | C07 | CL01 | 117.3° | 119.1° |
| H18 | C17 | H16 | 109.5° | 109.5° |
| H18 | C17 | H17 | 109.4° | 109.4° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H02 | C01 | H01 | 109.5° | 109.8° |
| H03 | C02 | H04 | 109.5° | 109.8° |
| H05 | C03 | H06 | 109.4° | 109.1° |
| H07 | C06 | H08 | 109.4° | 109.1° |
| H09 | C09 | H11 | 109.5° | 109.5° |
| H09 | C09 | H10 | 109.5° | 109.4° |
| H11 | C09 | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N04 | C16 | C12 | H15 | 180.0° | 179.9° |
| C16 | N04 | N05 | C17 | 179.0° | 180.0° |
| C16 | N04 | N05 | C13 | 0.4° | 0.2° |
| N04 | C16 | C12 | C13 | 0.6° | 0.0° |
| N04 | C16 | C12 | C11 | 179.7° | 180.0° |
| N05 | N04 | C16 | C12 | 0.6° | 0.1° |
| N04 | N05 | C17 | C13 | 178.7° | 179.7° |
| N04 | N05 | C13 | C12 | 0.0° | 0.2° |
| N04 | N05 | C13 | C14 | 179.4° | 179.7° |
| N05 | N04 | C16 | H15 | 179.4° | 179.8° |
| N04 | N05 | C17 | H18 | 0.0° | 90.0° |
| N04 | N05 | C17 | H16 | 120.0° | 150.0° |
| N04 | N05 | C17 | H17 | 120.0° | 29.9° |
| C16 | C12 | C13 | N05 | 0.3° | 0.2° |
| C16 | C12 | C13 | C11 | 179.8° | 180.0° |
| C16 | C12 | C13 | C14 | 179.8° | 179.7° |
| C16 | C12 | C11 | C10 | 179.1° | 180.0° |
| C16 | C12 | C11 | H12 | 0.9° | 0.0° |
| C17 | N05 | C13 | C12 | 178.7° | 180.0° |
| C17 | N05 | C13 | C14 | 0.7° | 0.5° |
| N05 | C17 | H18 | H16 | 120.0° | 120.0° |
| N05 | C17 | H18 | H17 | 120.0° | 120.0° |
| N05 | C17 | H16 | H17 | 120.0° | 120.0° |
| N05 | C13 | C12 | C14 | 179.5° | 179.6° |
| N05 | C13 | C12 | C11 | 179.9° | 179.9° |
| N05 | C13 | C14 | C15 | 179.8° | 180.0° |
| N05 | C13 | C14 | H13 | 0.2° | 0.5° |
| C13 | N05 | C17 | H18 | 178.7° | 89.7° |
| C13 | N05 | C17 | H16 | 58.7° | 30.3° |
| C13 | N05 | C17 | H17 | 61.3° | 150.3° |
| C13 | C12 | C11 | C10 | 0.6° | 0.0° |
| C12 | C13 | C14 | C15 | 0.9° | 0.6° |
| C13 | C12 | C11 | H12 | 179.4° | 180.0° |
| C12 | C13 | C14 | H13 | 179.1° | 180.0° |
| C13 | C12 | C16 | H15 | 179.4° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.3° |
| C12 | C11 | C10 | H12 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 1.1° | 0.0° |
| C12 | C11 | C10 | N03 | 178.2° | 179.7° |
| C11 | C12 | C16 | H15 | 0.3° | 0.1° |
| C13 | C14 | C15 | H13 | 180.0° | 179.5° |
| C13 | C14 | C15 | C10 | 0.3° | 0.6° |
| C13 | C14 | C15 | H14 | 179.7° | 179.5° |
| C11 | C10 | C15 | C14 | 0.6° | 0.3° |
| C11 | C10 | C15 | N03 | 179.3° | 179.7° |
| C11 | C10 | N03 | C09 | 75.5° | 5.6° |
| C11 | C10 | N03 | C08 | 125.8° | 174.5° |
| C11 | C10 | C15 | H14 | 179.3° | 179.8° |
| C14 | C15 | C10 | H14 | 180.0° | 180.0° |
| C14 | C15 | C10 | N03 | 178.7° | 180.0° |
| C15 | C10 | N03 | C09 | 103.8° | 174.2° |
| C15 | C10 | N03 | C08 | 54.8° | 5.8° |
| C15 | C10 | C11 | H12 | 178.9° | 180.0° |
| C10 | C15 | C14 | H13 | 179.7° | 180.0° |
| C10 | N03 | C09 | C08 | 158.1° | 180.0° |
| C10 | N03 | C08 | C05 | 38.6° | 94.8° |
| C10 | N03 | C08 | N02 | 141.4° | 85.2° |
| N03 | C10 | C11 | H12 | 1.7° | 0.3° |
| N03 | C10 | C15 | H14 | 1.3° | 0.0° |
| C10 | N03 | C09 | H09 | 180.0° | 94.3° |
| C10 | N03 | C09 | H11 | 60.0° | 145.7° |
| C10 | N03 | C09 | H10 | 60.0° | 25.7° |
| C06 | C01 | C02 | H02 | 119.1° | 119.7° |
| C06 | C01 | C02 | H01 | 119.1° | 119.6° |
| C01 | C06 | C05 | H07 | 121.7° | 120.3° |
| C01 | C06 | C05 | H08 | 121.7° | 120.3° |
| C06 | C01 | C02 | C03 | 37.5° | 69.7° |
| C01 | C06 | C05 | C08 | 159.5° | 162.8° |
| C01 | C06 | C05 | C04 | 19.1° | 17.5° |
| C06 | C01 | H02 | H01 | 122.6° | 120.4° |
| C06 | C01 | C02 | H03 | 84.5° | 50.0° |
| C06 | C01 | C02 | H04 | 159.5° | 170.6° |
| C01 | C06 | H07 | H08 | 114.4° | 119.5° |
| C02 | C01 | C06 | C05 | 34.5° | 50.7° |
| C01 | C02 | C03 | H03 | 122.0° | 119.7° |
| C01 | C02 | C03 | H04 | 122.0° | 119.7° |
| C01 | C02 | C03 | C04 | 24.6° | 51.1° |
| C02 | C01 | H02 | H01 | 122.6° | 120.5° |
| C01 | C02 | H03 | H04 | 113.4° | 120.5° |
| C01 | C02 | C03 | H05 | 146.6° | 171.3° |
| C01 | C02 | C03 | H06 | 97.3° | 69.2° |
| C02 | C01 | C06 | H07 | 156.3° | 171.0° |
| C02 | C01 | C06 | H08 | 87.2° | 69.5° |
| C06 | C05 | C08 | N03 | 1.8° | 0.6° |
| C06 | C05 | C08 | C04 | 178.6° | 179.7° |
| C06 | C05 | C08 | N02 | 178.2° | 179.4° |
| C06 | C05 | C04 | C03 | 0.1° | 0.7° |
| C06 | C05 | C04 | N01 | 178.7° | 179.3° |
| C05 | C06 | C01 | H02 | 153.6° | 69.0° |
| C05 | C06 | C01 | H01 | 84.5° | 170.4° |
| C05 | C06 | H07 | H08 | 114.4° | 119.5° |
| C09 | N03 | C08 | C05 | 162.9° | 85.2° |
| C09 | N03 | C08 | N02 | 17.1° | 94.8° |
| N03 | C09 | H09 | H11 | 120.0° | 120.0° |
| N03 | C09 | H09 | H10 | 120.0° | 120.0° |
| N03 | C09 | H11 | H10 | 120.0° | 120.0° |
| N03 | C08 | C05 | N02 | 180.0° | 180.0° |
| N03 | C08 | C05 | C04 | 179.6° | 179.8° |
| N03 | C08 | N02 | C07 | 179.3° | 180.0° |
| C08 | N03 | C09 | H09 | 21.9° | 85.8° |
| C08 | N03 | C09 | H11 | 142.0° | 34.3° |
| C08 | N03 | C09 | H10 | 98.1° | 154.3° |
| C02 | C03 | C04 | C05 | 1.9° | 17.8° |
| C02 | C03 | C04 | H05 | 121.9° | 120.3° |
| C02 | C03 | C04 | H06 | 121.9° | 120.3° |
| C02 | C03 | C04 | N01 | 179.8° | 162.2° |
| C03 | C02 | C01 | H02 | 156.6° | 50.0° |
| C03 | C02 | C01 | H01 | 81.6° | 170.7° |
| C03 | C02 | H03 | H04 | 113.5° | 120.5° |
| C02 | C03 | H05 | H06 | 113.7° | 119.6° |
| C08 | C05 | C04 | C03 | 178.6° | 179.6° |
| C08 | C05 | C04 | N01 | 0.0° | 0.3° |
| C05 | C08 | N02 | C07 | 0.7° | 0.0° |
| C08 | C05 | C06 | H07 | 37.7° | 42.5° |
| C08 | C05 | C06 | H08 | 78.8° | 76.9° |
| C04 | C05 | C08 | N02 | 0.4° | 0.2° |
| C05 | C04 | C03 | N01 | 178.3° | 179.9° |
| C05 | C04 | N01 | C07 | 0.1° | 0.2° |
| C05 | C04 | C03 | H05 | 123.8° | 138.2° |
| C05 | C04 | C03 | H06 | 120.0° | 102.5° |
| C04 | C05 | C06 | H07 | 140.8° | 137.9° |
| C04 | C05 | C06 | H08 | 102.7° | 102.7° |
| C08 | N02 | C07 | N01 | 0.6° | 0.1° |
| C08 | N02 | C07 | CL01 | 179.7° | 179.8° |
| C03 | C04 | N01 | C07 | 178.3° | 179.7° |
| C04 | C03 | C02 | H03 | 97.4° | 68.6° |
| C04 | C03 | C02 | H04 | 146.6° | 170.7° |
| C04 | C03 | H05 | H06 | 113.8° | 119.4° |
| C04 | N01 | C07 | N02 | 0.2° | 0.0° |
| C04 | N01 | C07 | CL01 | 179.9° | 179.9° |
| N01 | C04 | C03 | H05 | 57.9° | 41.9° |
| N01 | C04 | C03 | H06 | 58.3° | 77.4° |
| N02 | C07 | N01 | CL01 | 179.7° | 179.9° |
| H13 | C14 | C15 | H14 | 0.3° | 0.0° |
| H18 | C17 | H16 | H17 | 119.9° | 120.0° |
| H02 | C01 | C02 | H03 | 34.6° | 169.7° |
| H02 | C01 | C02 | H04 | 81.4° | 69.6° |
| H02 | C01 | C06 | H07 | 84.6° | 51.3° |
| H02 | C01 | C06 | H08 | 31.9° | 170.7° |
| H01 | C01 | C02 | H03 | 156.5° | 69.6° |
| H01 | C01 | C02 | H04 | 40.4° | 51.0° |
| H01 | C01 | C06 | H07 | 37.2° | 69.3° |
| H01 | C01 | C06 | H08 | 153.7° | 50.1° |
| H03 | C02 | C03 | H05 | 24.6° | 51.6° |
| H03 | C02 | C03 | H06 | 140.7° | 171.1° |
| H04 | C02 | C03 | H05 | 91.5° | 69.0° |
| H04 | C02 | C03 | H06 | 24.7° | 50.4° |
| H09 | C09 | H11 | H10 | 120.0° | 119.9° |
