A1EU1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL01 | C05 | sing | 1.74Å | 1.79Å | |
| C05 | N01 | doub | 1.31Å | 1.35Å | Aromatic |
| C05 | N02 | sing | 1.32Å | 1.36Å | Aromatic |
| N01 | C03 | sing | 1.35Å | 1.32Å | Aromatic |
| N02 | C06 | doub | 1.33Å | 1.31Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.38Å | Aromatic |
| C03 | C04 | doub | 1.40Å | 1.42Å | Aromatic |
| C02 | C01 | doub | 1.32Å | 1.32Å | Aromatic |
| C06 | C04 | sing | 1.40Å | 1.36Å | Aromatic |
| C06 | N03 | sing | 1.39Å | 1.46Å | |
| C04 | S01 | sing | 1.76Å | 1.88Å | Aromatic |
| C01 | S01 | sing | 1.76Å | 1.78Å | Aromatic |
| C07 | N03 | sing | 1.46Å | 1.47Å | |
| N03 | C08 | sing | 1.40Å | 1.48Å | |
| C13 | C08 | doub | 1.40Å | 1.44Å | Aromatic |
| C13 | C12 | sing | 1.37Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.44Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.47Å | Aromatic |
| C11 | N05 | sing | 1.37Å | 1.44Å | Aromatic |
| C10 | C14 | sing | 1.46Å | 1.47Å | Aromatic |
| N05 | C15 | sing | 1.47Å | 1.47Å | |
| N05 | N04 | sing | 1.40Å | 1.31Å | Aromatic |
| C14 | N04 | doub | 1.30Å | 1.28Å | Aromatic |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C07 | H03 | sing | 1.09Å | 1.10Å | |
| C07 | H05 | sing | 1.09Å | 1.10Å | |
| C07 | H04 | sing | 1.09Å | 1.10Å | |
| C09 | H06 | sing | 1.08Å | 1.08Å | |
| C12 | H07 | sing | 1.08Å | 1.08Å | |
| C13 | H08 | sing | 1.08Å | 1.08Å | |
| C14 | H09 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C05 | N01 | 116.1° | 118.7° |
| CL01 | C05 | N02 | 116.1° | 118.7° |
| N01 | C05 | N02 | 127.8° | 122.5° |
| C05 | N01 | C03 | 113.4° | 121.1° |
| C05 | N02 | C06 | 116.6° | 120.7° |
| N01 | C03 | C02 | 127.0° | 129.6° |
| N01 | C03 | C04 | 123.1° | 117.9° |
| N02 | C06 | C04 | 121.5° | 119.0° |
| N02 | C06 | N03 | 121.6° | 120.5° |
| C02 | C03 | C04 | 109.9° | 112.5° |
| C03 | C02 | C01 | 121.2° | 115.7° |
| C03 | C02 | H02 | 119.4° | 122.2° |
| C03 | C04 | C06 | 117.5° | 118.8° |
| C03 | C04 | S01 | 109.6° | 109.5° |
| C02 | C01 | S01 | 110.9° | 110.8° |
| C02 | C01 | H01 | 124.6° | 124.6° |
| C01 | C02 | H02 | 119.4° | 122.1° |
| C04 | C06 | N03 | 116.9° | 120.5° |
| C06 | C04 | S01 | 132.9° | 131.6° |
| C06 | N03 | C07 | 117.6° | 120.0° |
| C06 | N03 | C08 | 121.1° | 120.0° |
| C04 | S01 | C01 | 88.5° | 91.4° |
| S01 | C01 | H01 | 124.6° | 124.6° |
| C07 | N03 | C08 | 121.2° | 120.0° |
| N03 | C07 | H03 | 109.5° | 109.4° |
| N03 | C07 | H05 | 109.5° | 109.5° |
| N03 | C07 | H04 | 109.4° | 109.5° |
| N03 | C08 | C13 | 121.4° | 119.9° |
| N03 | C08 | C09 | 118.3° | 119.8° |
| C08 | C13 | C12 | 119.7° | 120.7° |
| C13 | C08 | C09 | 120.3° | 120.3° |
| C08 | C13 | H08 | 120.1° | 119.7° |
| C13 | C12 | C11 | 119.7° | 120.1° |
| C13 | C12 | H07 | 120.2° | 119.9° |
| C12 | C13 | H08 | 120.2° | 119.6° |
| C08 | C09 | C10 | 120.4° | 119.5° |
| C08 | C09 | H06 | 119.8° | 120.3° |
| C12 | C11 | C10 | 122.5° | 119.7° |
| C12 | C11 | N05 | 139.1° | 133.7° |
| C11 | C12 | H07 | 120.1° | 120.0° |
| C09 | C10 | C11 | 117.3° | 119.7° |
| C09 | C10 | C14 | 141.9° | 134.0° |
| C10 | C09 | H06 | 119.8° | 120.2° |
| C10 | C11 | N05 | 98.4° | 106.7° |
| C11 | C10 | C14 | 100.8° | 106.4° |
| C11 | N05 | C15 | 119.5° | 125.5° |
| C11 | N05 | N04 | 122.5° | 109.1° |
| C10 | C14 | N04 | 120.0° | 107.8° |
| C10 | C14 | H09 | 120.0° | 126.1° |
| C15 | N05 | N04 | 118.0° | 125.5° |
| N05 | C15 | H12 | 109.5° | 109.4° |
| N05 | C15 | H10 | 109.5° | 109.5° |
| N05 | C15 | H11 | 109.4° | 109.4° |
| N05 | N04 | C14 | 98.3° | 110.1° |
| N04 | C14 | H09 | 120.0° | 126.1° |
| H03 | C07 | H05 | 109.5° | 109.5° |
| H03 | C07 | H04 | 109.5° | 109.4° |
| H05 | C07 | H04 | 109.5° | 109.5° |
| H12 | C15 | H10 | 109.5° | 109.5° |
| H12 | C15 | H11 | 109.4° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C05 | N01 | N02 | 179.3° | 179.9° |
| CL01 | C05 | N01 | C03 | 179.7° | 179.9° |
| CL01 | C05 | N02 | C06 | 179.9° | 179.9° |
| N01 | C05 | N02 | C06 | 0.6° | 0.1° |
| C05 | N01 | C03 | C02 | 180.0° | 180.0° |
| C05 | N01 | C03 | C04 | 0.1° | 0.1° |
| N02 | C05 | N01 | C03 | 0.4° | 0.1° |
| C05 | N02 | C06 | C04 | 0.3° | 0.1° |
| C05 | N02 | C06 | N03 | 177.7° | 180.0° |
| N01 | C03 | C02 | C04 | 179.9° | 179.9° |
| N01 | C03 | C02 | C01 | 179.9° | 179.9° |
| N01 | C03 | C04 | C06 | 0.4° | 0.0° |
| N01 | C03 | C04 | S01 | 179.7° | 180.0° |
| N01 | C03 | C02 | H02 | 0.2° | 0.0° |
| N02 | C06 | C04 | C03 | 0.1° | 0.0° |
| N02 | C06 | C04 | N03 | 178.1° | 179.9° |
| N02 | C06 | C04 | S01 | 179.9° | 180.0° |
| N02 | C06 | N03 | C07 | 37.9° | 85.1° |
| N02 | C06 | N03 | C08 | 144.3° | 94.9° |
| C03 | C02 | C01 | H02 | 180.0° | 179.9° |
| C02 | C03 | C04 | C06 | 179.7° | 180.0° |
| C02 | C03 | C04 | S01 | 0.3° | 0.0° |
| C03 | C02 | C01 | S01 | 0.2° | 0.1° |
| C03 | C02 | C01 | H01 | 179.8° | 179.8° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| C03 | C04 | C06 | S01 | 179.9° | 180.0° |
| C03 | C04 | C06 | N03 | 178.2° | 180.0° |
| C03 | C04 | S01 | C01 | 0.3° | 0.0° |
| C04 | C03 | C02 | H02 | 179.9° | 180.0° |
| C02 | C01 | S01 | C04 | 0.2° | 0.0° |
| C02 | C01 | S01 | H01 | 180.0° | 179.8° |
| C06 | C04 | S01 | C01 | 179.7° | 180.0° |
| C04 | C06 | N03 | C07 | 140.2° | 94.9° |
| C04 | C06 | N03 | C08 | 37.7° | 85.2° |
| N03 | C06 | C04 | S01 | 1.8° | 0.0° |
| C06 | N03 | C07 | C08 | 177.8° | 179.9° |
| C06 | N03 | C08 | C13 | 57.9° | 5.1° |
| C06 | N03 | C08 | C09 | 123.5° | 174.5° |
| C06 | N03 | C07 | H03 | 180.0° | 95.3° |
| C06 | N03 | C07 | H05 | 60.0° | 144.7° |
| C06 | N03 | C07 | H04 | 60.0° | 24.6° |
| C04 | S01 | C01 | H01 | 179.7° | 179.8° |
| S01 | C01 | C02 | H02 | 179.9° | 180.0° |
| C07 | N03 | C08 | C13 | 124.4° | 174.8° |
| C07 | N03 | C08 | C09 | 54.2° | 5.5° |
| N03 | C07 | H03 | H05 | 120.0° | 120.0° |
| N03 | C07 | H03 | H04 | 120.0° | 119.9° |
| N03 | C07 | H05 | H04 | 120.0° | 120.0° |
| N03 | C08 | C13 | C09 | 178.6° | 179.7° |
| N03 | C08 | C13 | C12 | 178.9° | 179.7° |
| N03 | C08 | C09 | C10 | 179.0° | 179.7° |
| C08 | N03 | C07 | H03 | 2.2° | 84.8° |
| C08 | N03 | C07 | H05 | 122.2° | 35.2° |
| C08 | N03 | C07 | H04 | 117.8° | 155.3° |
| N03 | C08 | C09 | H06 | 1.0° | 0.3° |
| N03 | C08 | C13 | H08 | 1.2° | 0.3° |
| C08 | C13 | C12 | H08 | 180.0° | 180.0° |
| C08 | C13 | C12 | C11 | 0.0° | 0.1° |
| C13 | C08 | C09 | C10 | 0.4° | 0.0° |
| C13 | C08 | C09 | H06 | 179.6° | 179.9° |
| C08 | C13 | C12 | H07 | 180.0° | 179.9° |
| C12 | C13 | C08 | C09 | 0.3° | 0.1° |
| C13 | C12 | C11 | H07 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C13 | C12 | C11 | N05 | 179.8° | 180.0° |
| C08 | C09 | C10 | H06 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.2° | 0.0° |
| C08 | C09 | C10 | C14 | 179.9° | 180.0° |
| C09 | C08 | C13 | H08 | 179.7° | 180.0° |
| C12 | C11 | C10 | C09 | 0.0° | 0.1° |
| C12 | C11 | C10 | N05 | 179.8° | 180.0° |
| C12 | C11 | C10 | C14 | 179.8° | 180.0° |
| C12 | C11 | N05 | C15 | 0.4° | 0.0° |
| C12 | C11 | N05 | N04 | 179.6° | 180.0° |
| C11 | C12 | C13 | H08 | 180.0° | 180.0° |
| C09 | C10 | C11 | C14 | 179.8° | 179.9° |
| C09 | C10 | C11 | N05 | 179.8° | 180.0° |
| C09 | C10 | C14 | N04 | 179.6° | 180.0° |
| C09 | C10 | C14 | H09 | 0.4° | 0.1° |
| C10 | C11 | N05 | C15 | 179.9° | 179.9° |
| C10 | C11 | N05 | N04 | 0.7° | 0.0° |
| C11 | C10 | C14 | N04 | 0.7° | 0.1° |
| C11 | C10 | C09 | H06 | 179.8° | 180.0° |
| C10 | C11 | C12 | H07 | 179.9° | 179.9° |
| C11 | C10 | C14 | H09 | 179.3° | 179.9° |
| N05 | C11 | C10 | C14 | 0.0° | 0.0° |
| C11 | N05 | C15 | N04 | 179.2° | 179.9° |
| C11 | N05 | N04 | C14 | 1.1° | 0.0° |
| N05 | C11 | C12 | H07 | 0.2° | 0.0° |
| C11 | N05 | C15 | H12 | 179.2° | 90.0° |
| C11 | N05 | C15 | H10 | 59.2° | 150.0° |
| C11 | N05 | C15 | H11 | 60.8° | 30.0° |
| C10 | C14 | N04 | N05 | 1.0° | 0.1° |
| C10 | C14 | N04 | H09 | 180.0° | 179.9° |
| C14 | C10 | C09 | H06 | 0.1° | 0.0° |
| C15 | N05 | N04 | C14 | 179.7° | 180.0° |
| N05 | C15 | H12 | H10 | 120.0° | 120.0° |
| N05 | C15 | H12 | H11 | 120.0° | 120.0° |
| N05 | C15 | H10 | H11 | 120.0° | 120.0° |
| N05 | N04 | C14 | H09 | 179.0° | 179.9° |
| N04 | N05 | C15 | H12 | 0.0° | 89.9° |
| N04 | N05 | C15 | H10 | 120.0° | 30.0° |
| N04 | N05 | C15 | H11 | 120.0° | 150.1° |
| H01 | C01 | C02 | H02 | 0.2° | 0.2° |
| H03 | C07 | H05 | H04 | 120.0° | 120.0° |
| H07 | C12 | C13 | H08 | 0.0° | 0.0° |
| H12 | C15 | H10 | H11 | 120.0° | 120.1° |
