A1EU6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL01 | C06 | sing | 1.74Å | 1.79Å | |
| C06 | N01 | doub | 1.32Å | 1.24Å | Aromatic |
| C06 | N02 | sing | 1.32Å | 1.26Å | Aromatic |
| N01 | C03 | sing | 1.33Å | 1.42Å | Aromatic |
| N02 | C07 | doub | 1.33Å | 1.33Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.57Å | |
| C03 | C04 | doub | 1.37Å | 1.51Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.44Å | |
| C07 | C04 | sing | 1.40Å | 1.61Å | Aromatic |
| C07 | N03 | sing | 1.39Å | 1.45Å | |
| C04 | C05 | sing | 1.50Å | 1.60Å | |
| C01 | O01 | sing | 1.43Å | 1.26Å | |
| C08 | N03 | sing | 1.46Å | 1.45Å | |
| N03 | C09 | sing | 1.40Å | 1.46Å | |
| O01 | C05 | sing | 1.43Å | 1.34Å | |
| C14 | C09 | doub | 1.40Å | 1.43Å | Aromatic |
| C14 | C13 | sing | 1.37Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.35Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.46Å | Aromatic |
| C12 | N05 | sing | 1.37Å | 1.43Å | Aromatic |
| C11 | C15 | sing | 1.46Å | 1.46Å | Aromatic |
| N05 | C16 | sing | 1.47Å | 1.46Å | |
| N05 | N04 | sing | 1.40Å | 1.30Å | Aromatic |
| C15 | N04 | doub | 1.30Å | 1.28Å | Aromatic |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H04 | sing | 1.09Å | 1.10Å | |
| C02 | H03 | sing | 1.09Å | 1.10Å | |
| C05 | H06 | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H07 | sing | 1.09Å | 1.10Å | |
| C08 | H09 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C06 | N01 | 116.0° | 119.1° |
| CL01 | C06 | N02 | 115.5° | 119.1° |
| N01 | C06 | N02 | 128.5° | 121.8° |
| C06 | N01 | C03 | 124.1° | 121.0° |
| C06 | N02 | C07 | 123.1° | 120.6° |
| N01 | C03 | C02 | 132.5° | 119.5° |
| N01 | C03 | C04 | 114.0° | 119.1° |
| N02 | C07 | C04 | 116.2° | 118.8° |
| N02 | C07 | N03 | 124.5° | 120.6° |
| C02 | C03 | C04 | 113.5° | 121.4° |
| C03 | C02 | C01 | 120.1° | 109.7° |
| C03 | C02 | H04 | 106.8° | 109.4° |
| C03 | C02 | H03 | 106.8° | 109.4° |
| C03 | C04 | C07 | 114.1° | 118.6° |
| C03 | C04 | C05 | 115.2° | 121.8° |
| C02 | C01 | O01 | 121.6° | 108.6° |
| C02 | C01 | H01 | 106.3° | 109.6° |
| C02 | C01 | H02 | 106.3° | 109.8° |
| C01 | C02 | H04 | 106.8° | 109.4° |
| C01 | C02 | H03 | 106.7° | 109.5° |
| C04 | C07 | N03 | 119.3° | 120.6° |
| C07 | C04 | C05 | 130.7° | 119.6° |
| C07 | N03 | C08 | 118.9° | 119.9° |
| C07 | N03 | C09 | 117.1° | 120.0° |
| C04 | C05 | O01 | 117.8° | 110.2° |
| C04 | C05 | H06 | 107.4° | 109.3° |
| C04 | C05 | H05 | 107.3° | 109.3° |
| C01 | O01 | C05 | 122.5° | 113.2° |
| O01 | C01 | H01 | 106.4° | 109.6° |
| O01 | C01 | H02 | 106.4° | 109.6° |
| C08 | N03 | C09 | 119.6° | 120.0° |
| N03 | C08 | H08 | 109.5° | 109.5° |
| N03 | C08 | H07 | 109.4° | 109.4° |
| N03 | C08 | H09 | 109.4° | 109.5° |
| N03 | C09 | C14 | 120.2° | 119.8° |
| N03 | C09 | C10 | 119.6° | 119.8° |
| O01 | C05 | H06 | 107.3° | 109.4° |
| O01 | C05 | H05 | 107.4° | 109.3° |
| C09 | C14 | C13 | 120.1° | 120.7° |
| C14 | C09 | C10 | 120.2° | 120.3° |
| C09 | C14 | H12 | 119.9° | 119.6° |
| C14 | C13 | C12 | 119.7° | 120.1° |
| C14 | C13 | H11 | 120.2° | 119.9° |
| C13 | C14 | H12 | 119.9° | 119.7° |
| C09 | C10 | C11 | 119.3° | 119.4° |
| C09 | C10 | H10 | 120.4° | 120.3° |
| C13 | C12 | C11 | 122.4° | 119.6° |
| C13 | C12 | N05 | 138.6° | 133.7° |
| C12 | C13 | H11 | 120.2° | 119.9° |
| C10 | C11 | C12 | 118.4° | 119.7° |
| C10 | C11 | C15 | 141.6° | 133.9° |
| C11 | C10 | H10 | 120.4° | 120.3° |
| C11 | C12 | N05 | 99.0° | 106.7° |
| C12 | C11 | C15 | 100.1° | 106.3° |
| C12 | N05 | C16 | 118.2° | 125.5° |
| C12 | N05 | N04 | 122.4° | 109.1° |
| C11 | C15 | N04 | 121.0° | 107.8° |
| C11 | C15 | H13 | 119.5° | 126.1° |
| C16 | N05 | N04 | 119.4° | 125.5° |
| N05 | C16 | H16 | 109.5° | 109.5° |
| N05 | C16 | H14 | 109.4° | 109.5° |
| N05 | C16 | H15 | 109.5° | 109.5° |
| N05 | N04 | C15 | 97.5° | 110.1° |
| N04 | C15 | H13 | 119.5° | 126.1° |
| H01 | C01 | H02 | 109.5° | 109.6° |
| H04 | C02 | H03 | 109.5° | 109.4° |
| H06 | C05 | H05 | 109.5° | 109.4° |
| H08 | C08 | H07 | 109.4° | 109.4° |
| H08 | C08 | H09 | 109.5° | 109.4° |
| H07 | C08 | H09 | 109.5° | 109.5° |
| H16 | C16 | H14 | 109.5° | 109.5° |
| H16 | C16 | H15 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C06 | N01 | N02 | 179.9° | 179.9° |
| CL01 | C06 | N01 | C03 | 179.9° | 180.0° |
| CL01 | C06 | N02 | C07 | 179.8° | 179.9° |
| N01 | C06 | N02 | C07 | 0.3° | 0.2° |
| C06 | N01 | C03 | C02 | 179.9° | 179.9° |
| C06 | N01 | C03 | C04 | 0.1° | 0.1° |
| N02 | C06 | N01 | C03 | 0.1° | 0.1° |
| C06 | N02 | C07 | C04 | 0.6° | 0.1° |
| C06 | N02 | C07 | N03 | 180.0° | 180.0° |
| N01 | C03 | C02 | C04 | 179.8° | 180.0° |
| N01 | C03 | C02 | C01 | 175.3° | 163.0° |
| N01 | C03 | C04 | C07 | 0.1° | 0.2° |
| N01 | C03 | C04 | C05 | 180.0° | 179.7° |
| N01 | C03 | C02 | H04 | 53.8° | 43.0° |
| N01 | C03 | C02 | H03 | 63.2° | 76.9° |
| N02 | C07 | C04 | C03 | 0.5° | 0.1° |
| N02 | C07 | C04 | N03 | 179.5° | 179.9° |
| N02 | C07 | C04 | C05 | 179.7° | 179.8° |
| N02 | C07 | N03 | C08 | 15.9° | 95.1° |
| N02 | C07 | N03 | C09 | 140.4° | 84.9° |
| C03 | C02 | C01 | H04 | 121.5° | 120.0° |
| C03 | C02 | C01 | H03 | 121.5° | 120.1° |
| C02 | C03 | C04 | C07 | 179.7° | 179.8° |
| C02 | C03 | C04 | C05 | 0.2° | 0.3° |
| C03 | C02 | C01 | O01 | 11.0° | 49.2° |
| C03 | C02 | C01 | H01 | 132.7° | 168.9° |
| C03 | C02 | C01 | H02 | 110.7° | 70.6° |
| C03 | C02 | H04 | H03 | 115.2° | 119.9° |
| C04 | C03 | C02 | C01 | 4.4° | 17.0° |
| C03 | C04 | C07 | C05 | 179.8° | 179.9° |
| C03 | C04 | C07 | N03 | 180.0° | 179.8° |
| C03 | C04 | C05 | O01 | 19.4° | 15.7° |
| C04 | C03 | C02 | H04 | 125.9° | 137.0° |
| C04 | C03 | C02 | H03 | 117.0° | 103.1° |
| C03 | C04 | C05 | H06 | 101.8° | 104.5° |
| C03 | C04 | C05 | H05 | 140.6° | 135.8° |
| C02 | C01 | O01 | H01 | 121.7° | 119.7° |
| C02 | C01 | O01 | H02 | 121.7° | 120.0° |
| C02 | C01 | O01 | C05 | 34.0° | 70.5° |
| C02 | C01 | H01 | H02 | 114.5° | 120.6° |
| C01 | C02 | H04 | H03 | 115.2° | 119.9° |
| C04 | C07 | N03 | C08 | 164.6° | 85.0° |
| C04 | C07 | N03 | C09 | 39.1° | 95.0° |
| C07 | C04 | C05 | O01 | 160.4° | 164.4° |
| C07 | C04 | C05 | H06 | 78.4° | 75.4° |
| C07 | C04 | C05 | H05 | 39.2° | 44.3° |
| N03 | C07 | C04 | C05 | 0.2° | 0.3° |
| C07 | N03 | C08 | C09 | 155.7° | 180.0° |
| C07 | N03 | C09 | C14 | 53.5° | 4.6° |
| C07 | N03 | C09 | C10 | 126.5° | 174.7° |
| C07 | N03 | C08 | H08 | 180.0° | 95.3° |
| C07 | N03 | C08 | H07 | 60.0° | 144.8° |
| C07 | N03 | C08 | H09 | 60.0° | 24.7° |
| C04 | C05 | O01 | C01 | 38.0° | 51.3° |
| C04 | C05 | O01 | H06 | 121.2° | 120.2° |
| C04 | C05 | O01 | H05 | 121.2° | 120.1° |
| C04 | C05 | H06 | H05 | 116.2° | 119.7° |
| O01 | C01 | H01 | H02 | 114.6° | 120.4° |
| O01 | C01 | C02 | H04 | 110.5° | 169.2° |
| O01 | C01 | C02 | H03 | 132.5° | 70.8° |
| C01 | O01 | C05 | H06 | 83.1° | 68.9° |
| C01 | O01 | C05 | H05 | 159.2° | 171.4° |
| C08 | N03 | C09 | C14 | 102.6° | 175.5° |
| C08 | N03 | C09 | C10 | 77.3° | 5.3° |
| N03 | C08 | H08 | H07 | 120.0° | 119.9° |
| N03 | C08 | H08 | H09 | 120.0° | 120.0° |
| N03 | C08 | H07 | H09 | 120.0° | 120.1° |
| N03 | C09 | C14 | C10 | 180.0° | 179.2° |
| N03 | C09 | C14 | C13 | 179.6° | 179.8° |
| N03 | C09 | C10 | C11 | 179.6° | 179.9° |
| N03 | C09 | C10 | H10 | 0.4° | 0.5° |
| C09 | N03 | C08 | H08 | 24.3° | 84.7° |
| C09 | N03 | C08 | H07 | 95.7° | 35.3° |
| C09 | N03 | C08 | H09 | 144.3° | 155.3° |
| N03 | C09 | C14 | H12 | 0.4° | 0.2° |
| C05 | O01 | C01 | H01 | 155.7° | 169.9° |
| C05 | O01 | C01 | H02 | 87.6° | 49.5° |
| O01 | C05 | H06 | H05 | 116.3° | 119.6° |
| C09 | C14 | C13 | H12 | 180.0° | 180.0° |
| C09 | C14 | C13 | C12 | 0.2° | 0.1° |
| C14 | C09 | C10 | C11 | 0.3° | 0.9° |
| C09 | C14 | C13 | H11 | 179.7° | 179.7° |
| C14 | C09 | C10 | H10 | 179.6° | 179.7° |
| C13 | C14 | C09 | C10 | 0.3° | 0.6° |
| C14 | C13 | C12 | H11 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 0.2° | 0.1° |
| C14 | C13 | C12 | N05 | 179.9° | 179.7° |
| C09 | C10 | C11 | H10 | 180.0° | 179.4° |
| C09 | C10 | C11 | C12 | 0.2° | 0.6° |
| C09 | C10 | C11 | C15 | 179.8° | 179.5° |
| C10 | C09 | C14 | H12 | 179.7° | 179.4° |
| C13 | C12 | C11 | C10 | 0.2° | 0.2° |
| C13 | C12 | C11 | N05 | 179.8° | 179.9° |
| C13 | C12 | C11 | C15 | 179.8° | 179.9° |
| C13 | C12 | N05 | C16 | 0.2° | 0.1° |
| C13 | C12 | N05 | N04 | 179.8° | 179.9° |
| C12 | C13 | C14 | H12 | 179.8° | 179.9° |
| C10 | C11 | C12 | C15 | 180.0° | 179.9° |
| C10 | C11 | C12 | N05 | 180.0° | 180.0° |
| C10 | C11 | C15 | N04 | 180.0° | 179.9° |
| C10 | C11 | C15 | H13 | 0.0° | 0.0° |
| C11 | C12 | N05 | C16 | 180.0° | 180.0° |
| C11 | C12 | N05 | N04 | 0.0° | 0.1° |
| C12 | C11 | C15 | N04 | 0.0° | 0.0° |
| C11 | C12 | C13 | H11 | 179.8° | 179.9° |
| C12 | C11 | C15 | H13 | 180.0° | 179.9° |
| C12 | C11 | C10 | H10 | 179.7° | 180.0° |
| N05 | C12 | C11 | C15 | 0.0° | 0.1° |
| C12 | N05 | C16 | N04 | 180.0° | 179.9° |
| C12 | N05 | N04 | C15 | 0.0° | 0.1° |
| N05 | C12 | C13 | H11 | 0.1° | 0.1° |
| C12 | N05 | C16 | H16 | 180.0° | 90.0° |
| C12 | N05 | C16 | H14 | 60.0° | 149.9° |
| C12 | N05 | C16 | H15 | 60.0° | 30.0° |
| C11 | C15 | N04 | N05 | 0.0° | 0.0° |
| C11 | C15 | N04 | H13 | 180.0° | 179.9° |
| C15 | C11 | C10 | H10 | 0.3° | 0.1° |
| C16 | N05 | N04 | C15 | 180.0° | 180.0° |
| N05 | C16 | H16 | H14 | 120.0° | 120.0° |
| N05 | C16 | H16 | H15 | 120.0° | 120.0° |
| N05 | C16 | H14 | H15 | 120.0° | 120.0° |
| N05 | N04 | C15 | H13 | 180.0° | 180.0° |
| N04 | N05 | C16 | H16 | 0.0° | 90.1° |
| N04 | N05 | C16 | H14 | 120.0° | 30.0° |
| N04 | N05 | C16 | H15 | 120.0° | 150.0° |
| H11 | C13 | C14 | H12 | 0.3° | 0.2° |
| H01 | C01 | C02 | H04 | 11.2° | 71.1° |
| H01 | C01 | C02 | H03 | 105.8° | 48.8° |
| H02 | C01 | C02 | H04 | 127.9° | 49.4° |
| H02 | C01 | C02 | H03 | 10.8° | 169.3° |
| H08 | C08 | H07 | H09 | 120.0° | 120.0° |
| H16 | C16 | H14 | H15 | 120.0° | 120.0° |
