A1EU4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL01 | C06 | sing | 1.74Å | 1.78Å | |
| C06 | N02 | doub | 1.32Å | 1.20Å | Aromatic |
| C06 | N03 | sing | 1.32Å | 1.19Å | Aromatic |
| N02 | C03 | sing | 1.33Å | 1.43Å | Aromatic |
| N03 | C07 | doub | 1.33Å | 1.29Å | Aromatic |
| C03 | C02 | sing | 1.50Å | 1.60Å | |
| C03 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| C02 | N01 | sing | 1.47Å | 1.54Å | |
| C07 | C04 | sing | 1.40Å | 1.63Å | Aromatic |
| C07 | N04 | sing | 1.39Å | 1.45Å | |
| C04 | C05 | sing | 1.50Å | 1.39Å | |
| N01 | C01 | sing | 1.47Å | 1.44Å | |
| N04 | C08 | sing | 1.46Å | 1.46Å | |
| N04 | C09 | sing | 1.40Å | 1.47Å | |
| C05 | C01 | sing | 1.53Å | 1.46Å | |
| C14 | C09 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.37Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.36Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.46Å | Aromatic |
| C12 | N06 | sing | 1.37Å | 1.43Å | Aromatic |
| C11 | C15 | sing | 1.46Å | 1.46Å | Aromatic |
| N06 | C16 | sing | 1.47Å | 1.46Å | |
| N06 | N05 | sing | 1.40Å | 1.29Å | Aromatic |
| C15 | N05 | doub | 1.30Å | 1.27Å | Aromatic |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H05 | sing | 1.09Å | 1.10Å | |
| C02 | H04 | sing | 1.09Å | 1.10Å | |
| C05 | H06 | sing | 1.09Å | 1.10Å | |
| C05 | H07 | sing | 1.09Å | 1.10Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H09 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| N01 | H1 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C06 | N02 | 117.5° | 119.1° |
| CL01 | C06 | N03 | 114.6° | 119.0° |
| N02 | C06 | N03 | 127.9° | 121.9° |
| C06 | N02 | C03 | 124.5° | 121.1° |
| C06 | N03 | C07 | 123.6° | 120.5° |
| N02 | C03 | C02 | 129.5° | 119.1° |
| N02 | C03 | C04 | 114.4° | 118.9° |
| N03 | C07 | C04 | 115.3° | 119.0° |
| N03 | C07 | N04 | 124.1° | 120.5° |
| C02 | C03 | C04 | 116.1° | 121.9° |
| C03 | C02 | N01 | 125.2° | 110.4° |
| C03 | C02 | H05 | 105.4° | 109.3° |
| C03 | C02 | H04 | 105.4° | 109.2° |
| C03 | C04 | C07 | 114.4° | 118.6° |
| C03 | C04 | C05 | 118.5° | 121.9° |
| C02 | N01 | C01 | 103.8° | 110.4° |
| N01 | C02 | H05 | 105.4° | 109.3° |
| N01 | C02 | H04 | 105.4° | 109.3° |
| C02 | N01 | H1 | 110.8° | 111.0° |
| C04 | C07 | N04 | 120.6° | 120.5° |
| C07 | C04 | C05 | 127.2° | 119.5° |
| C07 | N04 | C08 | 118.2° | 119.9° |
| C07 | N04 | C09 | 119.3° | 120.0° |
| C04 | C05 | C01 | 122.4° | 109.9° |
| C04 | C05 | H06 | 106.2° | 109.4° |
| C04 | C05 | H07 | 106.2° | 109.4° |
| N01 | C01 | C05 | 122.0° | 108.7° |
| N01 | C01 | H01 | 106.2° | 109.6° |
| N01 | C01 | H02 | 106.2° | 109.6° |
| C01 | N01 | H1 | 110.9° | 111.0° |
| C08 | N04 | C09 | 119.7° | 120.0° |
| N04 | C08 | H08 | 109.5° | 109.5° |
| N04 | C08 | H10 | 109.5° | 109.4° |
| N04 | C08 | H09 | 109.5° | 109.5° |
| N04 | C09 | C14 | 119.9° | 119.9° |
| N04 | C09 | C10 | 119.8° | 119.8° |
| C05 | C01 | H01 | 106.3° | 109.6° |
| C05 | C01 | H02 | 106.3° | 109.6° |
| C01 | C05 | H06 | 106.2° | 109.4° |
| C01 | C05 | H07 | 106.1° | 109.4° |
| C09 | C14 | C13 | 120.6° | 120.8° |
| C14 | C09 | C10 | 120.3° | 120.3° |
| C09 | C14 | H13 | 119.7° | 119.6° |
| C14 | C13 | C12 | 119.3° | 120.1° |
| C14 | C13 | H12 | 120.3° | 120.0° |
| C13 | C14 | H13 | 119.7° | 119.6° |
| C09 | C10 | C11 | 119.2° | 119.5° |
| C09 | C10 | H11 | 120.4° | 120.3° |
| C13 | C12 | C11 | 122.2° | 119.6° |
| C13 | C12 | N06 | 138.5° | 133.7° |
| C12 | C13 | H12 | 120.3° | 119.9° |
| C10 | C11 | C12 | 118.4° | 119.7° |
| C10 | C11 | C15 | 142.2° | 133.9° |
| C11 | C10 | H11 | 120.4° | 120.2° |
| C11 | C12 | N06 | 99.3° | 106.6° |
| C12 | C11 | C15 | 99.3° | 106.4° |
| C12 | N06 | C16 | 118.7° | 125.4° |
| C12 | N06 | N05 | 122.5° | 109.1° |
| C11 | C15 | N05 | 121.8° | 107.8° |
| C11 | C15 | H14 | 119.1° | 126.1° |
| C16 | N06 | N05 | 118.8° | 125.5° |
| N06 | C16 | H17 | 109.5° | 109.4° |
| N06 | C16 | H16 | 109.5° | 109.5° |
| N06 | C16 | H15 | 109.4° | 109.5° |
| N06 | N05 | C15 | 97.1° | 110.1° |
| N05 | C15 | H14 | 119.1° | 126.1° |
| H01 | C01 | H02 | 109.5° | 109.6° |
| H05 | C02 | H04 | 109.5° | 109.3° |
| H06 | C05 | H07 | 109.4° | 109.3° |
| H08 | C08 | H10 | 109.5° | 109.4° |
| H08 | C08 | H09 | 109.5° | 109.5° |
| H10 | C08 | H09 | 109.4° | 109.5° |
| H17 | C16 | H16 | 109.4° | 109.5° |
| H17 | C16 | H15 | 109.5° | 109.5° |
| H16 | C16 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C06 | N02 | N03 | 179.9° | 180.0° |
| CL01 | C06 | N02 | C03 | 179.9° | 180.0° |
| CL01 | C06 | N03 | C07 | 179.7° | 179.9° |
| N02 | C06 | N03 | C07 | 0.4° | 0.1° |
| C06 | N02 | C03 | C02 | 179.6° | 179.9° |
| C06 | N02 | C03 | C04 | 0.3° | 0.1° |
| N03 | C06 | N02 | C03 | 0.0° | 0.1° |
| C06 | N03 | C07 | C04 | 0.4° | 0.2° |
| C06 | N03 | C07 | N04 | 179.9° | 179.7° |
| N02 | C03 | C02 | C04 | 179.9° | 179.8° |
| N02 | C03 | C02 | N01 | 176.7° | 162.6° |
| N02 | C03 | C04 | C07 | 0.2° | 0.1° |
| N02 | C03 | C04 | C05 | 179.6° | 179.8° |
| N02 | C03 | C02 | H05 | 61.2° | 77.2° |
| N02 | C03 | C02 | H04 | 54.6° | 42.4° |
| N03 | C07 | C04 | C03 | 0.1° | 0.1° |
| N03 | C07 | C04 | N04 | 179.5° | 179.9° |
| N03 | C07 | C04 | C05 | 179.2° | 179.6° |
| N03 | C07 | N04 | C08 | 53.3° | 95.1° |
| N03 | C07 | N04 | C09 | 145.6° | 85.0° |
| C03 | C02 | N01 | H05 | 122.1° | 120.3° |
| C03 | C02 | N01 | H04 | 122.1° | 120.2° |
| C02 | C03 | C04 | C07 | 179.7° | 179.8° |
| C02 | C03 | C04 | C05 | 0.3° | 0.5° |
| C03 | C02 | N01 | C01 | 21.3° | 52.4° |
| C03 | C02 | H05 | H04 | 112.9° | 119.5° |
| C03 | C02 | N01 | H1 | 140.4° | 175.9° |
| C04 | C03 | C02 | N01 | 3.4° | 17.7° |
| C03 | C04 | C07 | C05 | 179.3° | 179.7° |
| C03 | C04 | C07 | N04 | 179.6° | 179.8° |
| C03 | C04 | C05 | C01 | 16.8° | 16.6° |
| C04 | C03 | C02 | H05 | 118.7° | 102.6° |
| C04 | C03 | C02 | H04 | 125.5° | 137.9° |
| C03 | C04 | C05 | H06 | 105.0° | 136.7° |
| C03 | C04 | C05 | H07 | 138.6° | 103.5° |
| C02 | N01 | C01 | H1 | 119.1° | 123.5° |
| C02 | N01 | C01 | C05 | 38.4° | 70.9° |
| C02 | N01 | C01 | H01 | 83.3° | 169.2° |
| C02 | N01 | C01 | H02 | 160.2° | 48.9° |
| N01 | C02 | H05 | H04 | 113.0° | 119.6° |
| C04 | C07 | N04 | C08 | 126.1° | 85.0° |
| C04 | C07 | N04 | C09 | 34.9° | 94.9° |
| C07 | C04 | C05 | C01 | 162.5° | 163.7° |
| C07 | C04 | C05 | H06 | 75.7° | 43.6° |
| C07 | C04 | C05 | H07 | 40.7° | 76.2° |
| N04 | C07 | C04 | C05 | 0.3° | 0.5° |
| C07 | N04 | C08 | C09 | 161.0° | 180.0° |
| C07 | N04 | C09 | C14 | 52.8° | 5.3° |
| C07 | N04 | C09 | C10 | 127.4° | 174.6° |
| C07 | N04 | C08 | H08 | 180.0° | 95.3° |
| C07 | N04 | C08 | H10 | 60.0° | 144.7° |
| C07 | N04 | C08 | H09 | 60.0° | 24.7° |
| C04 | C05 | C01 | N01 | 41.5° | 49.9° |
| C04 | C05 | C01 | H06 | 121.8° | 120.1° |
| C04 | C05 | C01 | H07 | 121.8° | 120.1° |
| C04 | C05 | C01 | H01 | 80.2° | 169.7° |
| C04 | C05 | C01 | H02 | 163.3° | 69.9° |
| C04 | C05 | H06 | H07 | 114.2° | 119.7° |
| N01 | C01 | C05 | H01 | 121.7° | 119.8° |
| N01 | C01 | C05 | H02 | 121.7° | 119.8° |
| N01 | C01 | H01 | H02 | 114.3° | 120.4° |
| C01 | N01 | C02 | H05 | 100.8° | 67.8° |
| C01 | N01 | C02 | H04 | 143.4° | 172.6° |
| N01 | C01 | C05 | H06 | 80.3° | 170.0° |
| N01 | C01 | C05 | H07 | 163.3° | 70.2° |
| C08 | N04 | C09 | C14 | 146.4° | 174.7° |
| C08 | N04 | C09 | C10 | 33.4° | 5.4° |
| N04 | C08 | H08 | H10 | 120.0° | 119.9° |
| N04 | C08 | H08 | H09 | 120.0° | 120.1° |
| N04 | C08 | H10 | H09 | 120.0° | 120.0° |
| N04 | C09 | C14 | C10 | 179.8° | 179.9° |
| N04 | C09 | C14 | C13 | 179.7° | 179.5° |
| N04 | C09 | C10 | C11 | 179.5° | 179.9° |
| N04 | C09 | C10 | H11 | 0.5° | 0.2° |
| N04 | C09 | C14 | H13 | 0.3° | 0.1° |
| C09 | N04 | C08 | H08 | 19.0° | 84.7° |
| C09 | N04 | C08 | H10 | 139.1° | 35.2° |
| C09 | N04 | C08 | H09 | 101.0° | 155.2° |
| C05 | C01 | H01 | H02 | 114.4° | 120.3° |
| C01 | C05 | H06 | H07 | 114.2° | 119.8° |
| C05 | C01 | N01 | H1 | 157.5° | 165.6° |
| C09 | C14 | C13 | H13 | 180.0° | 179.3° |
| C09 | C14 | C13 | C12 | 0.1° | 0.9° |
| C14 | C09 | C10 | C11 | 0.3° | 0.0° |
| C14 | C09 | C10 | H11 | 179.7° | 179.7° |
| C09 | C14 | C13 | H12 | 179.9° | 179.7° |
| C13 | C14 | C09 | C10 | 0.2° | 0.7° |
| C14 | C13 | C12 | H12 | 180.0° | 179.4° |
| C14 | C13 | C12 | C11 | 0.1° | 0.6° |
| C14 | C13 | C12 | N06 | 179.7° | 179.4° |
| C09 | C10 | C11 | H11 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.3° | 0.3° |
| C09 | C10 | C11 | C15 | 179.8° | 179.8° |
| C10 | C09 | C14 | H13 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C13 | C12 | C11 | N06 | 179.9° | 180.0° |
| C13 | C12 | C11 | C15 | 180.0° | 180.0° |
| C13 | C12 | N06 | C16 | 0.2° | 0.1° |
| C13 | C12 | N06 | N05 | 179.9° | 180.0° |
| C12 | C13 | C14 | H13 | 179.9° | 179.7° |
| C10 | C11 | C12 | C15 | 180.0° | 179.9° |
| C10 | C11 | C12 | N06 | 180.0° | 180.0° |
| C10 | C11 | C15 | N05 | 179.9° | 180.0° |
| C10 | C11 | C15 | H14 | 0.1° | 0.0° |
| C11 | C12 | N06 | C16 | 179.9° | 180.0° |
| C11 | C12 | N06 | N05 | 0.2° | 0.0° |
| C12 | C11 | C15 | N05 | 0.1° | 0.0° |
| C12 | C11 | C10 | H11 | 179.7° | 179.9° |
| C11 | C12 | C13 | H12 | 179.9° | 180.0° |
| C12 | C11 | C15 | H14 | 179.9° | 180.0° |
| N06 | C12 | C11 | C15 | 0.1° | 0.0° |
| C12 | N06 | C16 | N05 | 179.7° | 179.9° |
| C12 | N06 | N05 | C15 | 0.2° | 0.0° |
| N06 | C12 | C13 | H12 | 0.3° | 0.0° |
| C12 | N06 | C16 | H17 | 179.7° | 90.0° |
| C12 | N06 | C16 | H16 | 59.7° | 150.0° |
| C12 | N06 | C16 | H15 | 60.3° | 30.0° |
| C11 | C15 | N05 | N06 | 0.2° | 0.0° |
| C11 | C15 | N05 | H14 | 180.0° | 180.0° |
| C15 | C11 | C10 | H11 | 0.2° | 0.0° |
| C16 | N06 | N05 | C15 | 179.9° | 180.0° |
| N06 | C16 | H17 | H16 | 120.0° | 120.0° |
| N06 | C16 | H17 | H15 | 120.0° | 120.0° |
| N06 | C16 | H16 | H15 | 120.0° | 120.0° |
| N06 | N05 | C15 | H14 | 179.8° | 180.0° |
| N05 | N06 | C16 | H17 | 0.0° | 89.9° |
| N05 | N06 | C16 | H16 | 120.0° | 30.0° |
| N05 | N06 | C16 | H15 | 120.0° | 150.1° |
| H12 | C13 | C14 | H13 | 0.1° | 0.3° |
| H01 | C01 | C05 | H06 | 158.0° | 70.2° |
| H01 | C01 | C05 | H07 | 41.6° | 49.6° |
| H01 | C01 | N01 | H1 | 35.8° | 45.8° |
| H02 | C01 | C05 | H06 | 41.5° | 50.2° |
| H02 | C01 | C05 | H07 | 75.0° | 170.0° |
| H02 | C01 | N01 | H1 | 80.7° | 74.6° |
| H05 | C02 | N01 | H1 | 18.3° | 55.6° |
| H04 | C02 | N01 | H1 | 97.5° | 63.9° |
| H08 | C08 | H10 | H09 | 120.0° | 120.0° |
| H17 | C16 | H16 | H15 | 120.0° | 120.0° |
