A1EU5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N05 | C15 | doub | 1.30Å | 1.28Å | Aromatic |
| N05 | N06 | sing | 1.40Å | 1.29Å | Aromatic |
| C15 | C11 | sing | 1.46Å | 1.45Å | Aromatic |
| C16 | N06 | sing | 1.47Å | 1.48Å | |
| N06 | C12 | sing | 1.37Å | 1.44Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.46Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.35Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.40Å | Aromatic |
| C09 | C14 | sing | 1.40Å | 1.43Å | Aromatic |
| C09 | N04 | sing | 1.40Å | 1.49Å | |
| N01 | C05 | sing | 1.47Å | 1.55Å | |
| N01 | C01 | sing | 1.47Å | 1.46Å | |
| C05 | C04 | sing | 1.50Å | 1.59Å | |
| N04 | C08 | sing | 1.46Å | 1.46Å | |
| N04 | C07 | sing | 1.39Å | 1.46Å | |
| C01 | C02 | sing | 1.53Å | 1.45Å | |
| C04 | C07 | doub | 1.40Å | 1.67Å | Aromatic |
| C04 | C03 | sing | 1.37Å | 1.38Å | Aromatic |
| C07 | N03 | sing | 1.33Å | 1.29Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.42Å | |
| C03 | N02 | doub | 1.33Å | 1.44Å | Aromatic |
| N03 | C06 | doub | 1.32Å | 1.21Å | Aromatic |
| N02 | C06 | sing | 1.32Å | 1.21Å | Aromatic |
| C06 | CL01 | sing | 1.74Å | 1.78Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C01 | H03 | sing | 1.09Å | 1.10Å | |
| C02 | H04 | sing | 1.09Å | 1.10Å | |
| C02 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H06 | sing | 1.09Å | 1.10Å | |
| C05 | H07 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H09 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | 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) |
| C15 | N05 | N06 | 96.7° | 110.1° |
| N05 | C15 | C11 | 122.5° | 107.8° |
| N05 | C15 | H14 | 118.8° | 126.1° |
| N05 | N06 | C16 | 118.4° | 125.5° |
| N05 | N06 | C12 | 122.6° | 109.1° |
| C15 | C11 | C12 | 99.0° | 106.3° |
| C15 | C11 | C10 | 142.3° | 133.9° |
| C11 | C15 | H14 | 118.8° | 126.1° |
| C16 | N06 | C12 | 119.0° | 125.5° |
| N06 | C16 | H17 | 109.5° | 109.4° |
| N06 | C16 | H15 | 109.4° | 109.4° |
| N06 | C16 | H16 | 109.5° | 109.4° |
| N06 | C12 | C11 | 99.3° | 106.7° |
| N06 | C12 | C13 | 138.5° | 133.7° |
| C12 | C11 | C10 | 118.6° | 119.8° |
| C11 | C12 | C13 | 122.3° | 119.6° |
| C11 | C10 | C09 | 119.2° | 119.5° |
| C11 | C10 | H11 | 120.4° | 120.3° |
| C12 | C13 | C14 | 119.3° | 120.1° |
| C12 | C13 | H12 | 120.3° | 119.9° |
| C10 | C09 | C14 | 120.2° | 120.3° |
| C10 | C09 | N04 | 119.9° | 119.8° |
| C09 | C10 | H11 | 120.4° | 120.3° |
| C13 | C14 | C09 | 120.4° | 120.8° |
| C14 | C13 | H12 | 120.4° | 120.0° |
| C13 | C14 | H13 | 119.8° | 119.6° |
| C14 | C09 | N04 | 120.0° | 119.8° |
| C09 | C14 | H13 | 119.8° | 119.6° |
| C09 | N04 | C08 | 119.0° | 120.0° |
| C09 | N04 | C07 | 117.4° | 120.0° |
| C05 | N01 | C01 | 104.4° | 110.3° |
| N01 | C05 | C04 | 124.4° | 110.4° |
| N01 | C05 | H06 | 105.6° | 109.3° |
| N01 | C05 | H07 | 105.6° | 109.2° |
| C05 | N01 | H1 | 110.7° | 111.0° |
| N01 | C01 | C02 | 126.7° | 108.6° |
| N01 | C01 | H02 | 105.0° | 109.6° |
| N01 | C01 | H03 | 105.0° | 109.8° |
| C01 | N01 | H1 | 110.7° | 111.0° |
| C05 | C04 | C07 | 128.5° | 119.4° |
| C05 | C04 | C03 | 117.2° | 122.2° |
| C04 | C05 | H06 | 105.6° | 109.3° |
| C04 | C05 | H07 | 105.6° | 109.3° |
| C08 | N04 | C07 | 119.0° | 120.0° |
| N04 | C08 | H10 | 109.5° | 109.4° |
| N04 | C08 | H08 | 109.5° | 109.5° |
| N04 | C08 | H09 | 109.5° | 109.5° |
| N04 | C07 | C04 | 121.2° | 120.5° |
| N04 | C07 | N03 | 124.0° | 120.6° |
| C01 | C02 | C03 | 123.6° | 109.8° |
| C02 | C01 | H02 | 105.0° | 109.6° |
| C02 | C01 | H03 | 105.0° | 109.6° |
| C01 | C02 | H04 | 105.8° | 109.4° |
| C01 | C02 | H05 | 105.8° | 109.4° |
| C07 | C04 | C03 | 114.3° | 118.5° |
| C04 | C07 | N03 | 114.8° | 119.0° |
| C04 | C03 | C02 | 116.0° | 121.7° |
| C04 | C03 | N02 | 114.6° | 119.1° |
| C07 | N03 | C06 | 123.8° | 120.6° |
| C02 | C03 | N02 | 129.4° | 119.2° |
| C03 | C02 | H04 | 105.8° | 109.4° |
| C03 | C02 | H05 | 105.8° | 109.4° |
| C03 | N02 | C06 | 124.4° | 121.1° |
| N03 | C06 | N02 | 128.1° | 121.7° |
| N03 | C06 | CL01 | 116.0° | 119.2° |
| N02 | C06 | CL01 | 115.9° | 119.1° |
| H02 | C01 | H03 | 109.5° | 109.6° |
| H04 | C02 | H05 | 109.4° | 109.4° |
| H06 | C05 | H07 | 109.5° | 109.3° |
| H10 | C08 | H08 | 109.4° | 109.5° |
| H10 | C08 | H09 | 109.4° | 109.5° |
| H08 | C08 | H09 | 109.5° | 109.5° |
| H17 | C16 | H15 | 109.5° | 109.5° |
| H17 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C15 | C11 | H14 | 180.0° | 180.0° |
| C15 | N05 | N06 | C16 | 180.0° | 180.0° |
| C15 | N05 | N06 | C12 | 0.0° | 0.0° |
| N05 | C15 | C11 | C12 | 0.1° | 0.0° |
| N05 | C15 | C11 | C10 | 179.9° | 179.3° |
| N06 | N05 | C15 | C11 | 0.0° | 0.0° |
| N05 | N06 | C16 | C12 | 180.0° | 179.9° |
| N05 | N06 | C12 | C11 | 0.0° | 0.0° |
| N05 | N06 | C12 | C13 | 180.0° | 179.9° |
| N06 | N05 | C15 | H14 | 180.0° | 180.0° |
| N05 | N06 | C16 | H17 | 0.0° | 90.0° |
| N05 | N06 | C16 | H15 | 120.0° | 150.0° |
| N05 | N06 | C16 | H16 | 120.0° | 30.0° |
| C15 | C11 | C12 | N06 | 0.0° | 0.0° |
| C15 | C11 | C12 | C10 | 179.9° | 179.5° |
| C15 | C11 | C12 | C13 | 180.0° | 180.0° |
| C15 | C11 | C10 | C09 | 179.9° | 180.0° |
| C15 | C11 | C10 | H11 | 0.1° | 0.5° |
| C16 | N06 | C12 | C11 | 180.0° | 180.0° |
| C16 | N06 | C12 | C13 | 0.0° | 0.1° |
| N06 | C16 | H17 | H15 | 120.0° | 120.0° |
| N06 | C16 | H17 | H16 | 120.0° | 120.0° |
| N06 | C16 | H15 | H16 | 120.0° | 120.0° |
| N06 | C12 | C11 | C13 | 180.0° | 179.9° |
| N06 | C12 | C11 | C10 | 180.0° | 179.5° |
| N06 | C12 | C13 | C14 | 179.9° | 179.9° |
| N06 | C12 | C13 | H12 | 0.0° | 0.4° |
| C12 | N06 | C16 | H17 | 180.0° | 90.0° |
| C12 | N06 | C16 | H15 | 60.0° | 30.0° |
| C12 | N06 | C16 | H16 | 60.0° | 150.0° |
| C12 | C11 | C10 | C09 | 0.2° | 0.7° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H12 | 179.9° | 179.7° |
| C12 | C11 | C10 | H11 | 179.8° | 179.8° |
| C12 | C11 | C15 | H14 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.5° |
| C11 | C10 | C09 | H11 | 180.0° | 179.5° |
| C11 | C10 | C09 | C14 | 0.3° | 0.5° |
| C11 | C10 | C09 | N04 | 179.9° | 179.5° |
| C10 | C11 | C15 | H14 | 0.0° | 0.7° |
| C12 | C13 | C14 | H12 | 180.0° | 179.7° |
| C12 | C13 | C14 | C09 | 0.0° | 0.3° |
| C12 | C13 | C14 | H13 | 179.9° | 179.7° |
| C10 | C09 | C14 | C13 | 0.2° | 0.0° |
| C10 | C09 | C14 | N04 | 179.6° | 180.0° |
| C10 | C09 | N04 | C08 | 69.3° | 5.4° |
| C10 | C09 | N04 | C07 | 135.1° | 174.6° |
| C10 | C09 | C14 | H13 | 179.7° | 180.0° |
| C13 | C14 | C09 | H13 | 180.0° | 180.0° |
| C13 | C14 | C09 | N04 | 179.9° | 180.0° |
| C14 | C09 | N04 | C08 | 111.1° | 174.6° |
| C14 | C09 | N04 | C07 | 44.5° | 5.4° |
| C09 | C14 | C13 | H12 | 180.0° | 180.0° |
| C14 | C09 | C10 | H11 | 179.7° | 180.0° |
| C09 | N04 | C08 | C07 | 155.2° | 180.0° |
| C09 | N04 | C07 | C04 | 38.1° | 94.7° |
| C09 | N04 | C07 | N03 | 141.5° | 85.3° |
| C09 | N04 | C08 | H10 | 180.0° | 85.7° |
| C09 | N04 | C08 | H08 | 60.0° | 154.3° |
| C09 | N04 | C08 | H09 | 60.0° | 34.3° |
| N04 | C09 | C10 | H11 | 0.1° | 0.0° |
| N04 | C09 | C14 | H13 | 0.1° | 0.0° |
| C05 | N01 | C01 | H1 | 119.2° | 123.5° |
| N01 | C05 | C04 | H06 | 122.0° | 120.3° |
| N01 | C05 | C04 | H07 | 122.0° | 120.1° |
| C05 | N01 | C01 | C02 | 0.9° | 71.0° |
| N01 | C05 | C04 | C07 | 155.6° | 162.8° |
| N01 | C05 | C04 | C03 | 24.3° | 17.4° |
| C05 | N01 | C01 | H02 | 121.3° | 169.3° |
| C05 | N01 | C01 | H03 | 123.2° | 48.8° |
| N01 | C05 | H06 | H07 | 113.3° | 119.4° |
| C01 | N01 | C05 | C04 | 22.9° | 52.2° |
| N01 | C01 | C02 | H02 | 122.3° | 119.8° |
| N01 | C01 | C02 | H03 | 122.3° | 119.9° |
| N01 | C01 | C02 | C03 | 22.5° | 50.3° |
| N01 | C01 | H02 | H03 | 112.3° | 120.6° |
| N01 | C01 | C02 | H04 | 99.4° | 170.4° |
| N01 | C01 | C02 | H05 | 144.5° | 69.9° |
| C01 | N01 | C05 | H06 | 144.9° | 68.1° |
| C01 | N01 | C05 | H07 | 99.1° | 172.4° |
| C05 | C04 | C07 | N04 | 0.4° | 0.3° |
| C05 | C04 | C07 | C03 | 179.9° | 179.8° |
| C05 | C04 | C07 | N03 | 180.0° | 179.6° |
| C05 | C04 | C03 | C02 | 0.1° | 0.5° |
| C05 | C04 | C03 | N02 | 179.9° | 179.6° |
| C04 | C05 | H06 | H07 | 113.3° | 119.6° |
| C04 | C05 | N01 | H1 | 142.1° | 175.7° |
| C08 | N04 | C07 | C04 | 166.3° | 85.3° |
| C08 | N04 | C07 | N03 | 14.1° | 94.8° |
| N04 | C08 | H10 | H08 | 120.0° | 120.0° |
| N04 | C08 | H10 | H09 | 120.0° | 120.0° |
| N04 | C08 | H08 | H09 | 120.0° | 120.0° |
| N04 | C07 | C04 | N03 | 179.6° | 180.0° |
| N04 | C07 | C04 | C03 | 179.7° | 179.9° |
| N04 | C07 | N03 | C06 | 179.6° | 180.0° |
| C07 | N04 | C08 | H10 | 24.8° | 94.3° |
| C07 | N04 | C08 | H08 | 144.8° | 25.6° |
| C07 | N04 | C08 | H09 | 95.2° | 145.7° |
| C01 | C02 | C03 | C04 | 21.7° | 16.9° |
| C01 | C02 | C03 | H04 | 122.0° | 120.1° |
| C01 | C02 | C03 | H05 | 121.9° | 120.1° |
| C01 | C02 | C03 | N02 | 158.1° | 163.2° |
| C02 | C01 | H02 | H03 | 112.3° | 120.3° |
| C01 | C02 | H04 | H05 | 113.6° | 119.8° |
| C02 | C01 | N01 | H1 | 120.2° | 165.5° |
| C07 | C04 | C03 | C02 | 179.8° | 179.7° |
| C07 | C04 | C03 | N02 | 0.1° | 0.2° |
| C04 | C07 | N03 | C06 | 0.0° | 0.0° |
| C07 | C04 | C05 | H06 | 33.6° | 76.9° |
| C07 | C04 | C05 | H07 | 82.4° | 42.7° |
| C03 | C04 | C07 | N03 | 0.1° | 0.2° |
| C04 | C03 | C02 | N02 | 179.8° | 180.0° |
| C04 | C03 | N02 | C06 | 0.1° | 0.2° |
| C04 | C03 | C02 | H04 | 100.3° | 137.0° |
| C04 | C03 | C02 | H05 | 143.6° | 103.2° |
| C03 | C04 | C05 | H06 | 146.3° | 102.9° |
| C03 | C04 | C05 | H07 | 97.7° | 137.5° |
| C07 | N03 | C06 | N02 | 0.2° | 0.0° |
| C07 | N03 | C06 | CL01 | 179.9° | 179.9° |
| C02 | C03 | N02 | C06 | 179.9° | 179.8° |
| C03 | C02 | C01 | H02 | 144.8° | 170.0° |
| C03 | C02 | C01 | H03 | 99.8° | 69.7° |
| C03 | C02 | H04 | H05 | 113.7° | 119.9° |
| C03 | N02 | C06 | N03 | 0.2° | 0.1° |
| C03 | N02 | C06 | CL01 | 180.0° | 180.0° |
| N02 | C03 | C02 | H04 | 79.9° | 43.1° |
| N02 | C03 | C02 | H05 | 36.2° | 76.7° |
| N03 | C06 | N02 | CL01 | 179.8° | 179.9° |
| H12 | C13 | C14 | H13 | 0.1° | 0.0° |
| H02 | C01 | C02 | H04 | 22.9° | 69.8° |
| H02 | C01 | C02 | H05 | 93.2° | 49.9° |
| H02 | C01 | N01 | H1 | 2.1° | 45.8° |
| H03 | C01 | C02 | H04 | 138.3° | 50.5° |
| H03 | C01 | C02 | H05 | 22.2° | 170.2° |
| H03 | C01 | N01 | H1 | 117.5° | 74.7° |
| H06 | C05 | N01 | H1 | 95.9° | 55.4° |
| H07 | C05 | N01 | H1 | 20.1° | 64.1° |
| H10 | C08 | H08 | H09 | 120.0° | 120.0° |
| H17 | C16 | H15 | H16 | 120.0° | 120.1° |
