A1A4L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N13 | doub | 1.33Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| N13 | C14 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | N15 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | N15 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | N09 | sing | 1.39Å | 1.45Å | |
| N09 | C07 | sing | 1.35Å | 1.45Å | |
| C07 | O08 | doub | 1.21Å | 1.19Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | N05 | sing | 1.47Å | 1.44Å | |
| N05 | N04 | sing | 1.40Å | 1.34Å | |
| N05 | C16 | sing | 1.35Å | 1.34Å | |
| O17 | C16 | doub | 1.22Å | 1.19Å | |
| N04 | C03 | doub | 1.29Å | 1.30Å | |
| C16 | C18 | sing | 1.47Å | 1.42Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C03 | N25 | sing | 1.38Å | 1.38Å | |
| C18 | N25 | sing | 1.38Å | 1.34Å | Aromatic |
| C18 | C19 | doub | 1.37Å | 1.43Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| N25 | C24 | sing | 1.39Å | 1.36Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.39Å | Aromatic |
| C24 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.46Å | Aromatic |
| C20 | S21 | sing | 1.76Å | 1.70Å | Aromatic |
| C23 | C22 | doub | 1.33Å | 1.38Å | Aromatic |
| S21 | C22 | sing | 1.76Å | 1.70Å | Aromatic |
| C22 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| N09 | H9 | sing | 0.97Å | 1.00Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C12 | C11 | 118.8° | 119.2° |
| C12 | N13 | C14 | 121.0° | 121.0° |
| N13 | C12 | H11 | 120.6° | 120.5° |
| C12 | C11 | C10 | 118.4° | 118.3° |
| C12 | C11 | H10 | 120.8° | 120.9° |
| C11 | C12 | H11 | 120.6° | 120.4° |
| N13 | C14 | N15 | 121.6° | 121.9° |
| N13 | C14 | H12 | 119.2° | 119.1° |
| C11 | C10 | N15 | 119.1° | 118.9° |
| C11 | C10 | N09 | 119.1° | 120.5° |
| C10 | C11 | H10 | 120.8° | 120.8° |
| C14 | N15 | C10 | 121.1° | 120.7° |
| N15 | C14 | H12 | 119.2° | 119.1° |
| N15 | C10 | N09 | 121.8° | 120.5° |
| C10 | N09 | C07 | 123.8° | 120.0° |
| C10 | N09 | H9 | 118.1° | 120.0° |
| N09 | C07 | O08 | 122.3° | 120.0° |
| N09 | C07 | C06 | 116.8° | 120.0° |
| C07 | N09 | H9 | 118.1° | 120.0° |
| O08 | C07 | C06 | 120.8° | 120.1° |
| C07 | C06 | N05 | 110.6° | 109.5° |
| C07 | C06 | H7 | 109.2° | 109.5° |
| C07 | C06 | H8 | 109.2° | 109.5° |
| C06 | N05 | N04 | 119.0° | 119.9° |
| C06 | N05 | C16 | 123.8° | 119.9° |
| N05 | C06 | H7 | 109.2° | 109.5° |
| N05 | C06 | H8 | 109.2° | 109.5° |
| N04 | N05 | C16 | 117.2° | 120.1° |
| N05 | N04 | C03 | 124.1° | 122.3° |
| N05 | C16 | O17 | 119.2° | 121.0° |
| N05 | C16 | C18 | 120.8° | 117.9° |
| O17 | C16 | C18 | 120.0° | 121.1° |
| N04 | C03 | C02 | 117.1° | 119.2° |
| N04 | C03 | N25 | 120.7° | 121.6° |
| C16 | C18 | N25 | 119.4° | 118.5° |
| C16 | C18 | C19 | 130.8° | 133.1° |
| C02 | C03 | N25 | 122.2° | 119.2° |
| C03 | C02 | C01 | 118.0° | 109.5° |
| C03 | C02 | H5 | 107.3° | 109.5° |
| C03 | C02 | H6 | 107.3° | 109.5° |
| C03 | N25 | C18 | 117.7° | 119.6° |
| C03 | N25 | C24 | 135.7° | 131.9° |
| N25 | C18 | C19 | 109.7° | 108.5° |
| C18 | N25 | C24 | 106.4° | 108.5° |
| C18 | C19 | C20 | 106.2° | 107.5° |
| C18 | C19 | H13 | 126.9° | 126.3° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C01 | C02 | H5 | 107.3° | 109.5° |
| C01 | C02 | H6 | 107.3° | 109.4° |
| N25 | C24 | C20 | 111.8° | 107.4° |
| N25 | C24 | C23 | 134.8° | 139.7° |
| C19 | C20 | C24 | 105.7° | 108.1° |
| C19 | C20 | S21 | 148.5° | 142.3° |
| C20 | C19 | H13 | 126.9° | 126.3° |
| C20 | C24 | C23 | 113.3° | 112.9° |
| C24 | C20 | S21 | 105.7° | 109.6° |
| C24 | C23 | C22 | 115.8° | 115.7° |
| C24 | C23 | H14 | 122.1° | 122.2° |
| C20 | S21 | C22 | 100.6° | 91.3° |
| C23 | C22 | S21 | 104.5° | 110.5° |
| C23 | C22 | H1 | 127.8° | 124.8° |
| C22 | C23 | H14 | 122.1° | 122.1° |
| S21 | C22 | H1 | 127.8° | 124.7° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.4° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H5 | C02 | H6 | 109.5° | 109.5° |
| H7 | C06 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C12 | C11 | H11 | 180.0° | 179.9° |
| N13 | C12 | C11 | C10 | 1.2° | 0.0° |
| C12 | N13 | C14 | N15 | 0.9° | 0.1° |
| N13 | C12 | C11 | H10 | 178.8° | 180.0° |
| C12 | N13 | C14 | H12 | 179.1° | 180.0° |
| C11 | C12 | N13 | C14 | 1.1° | 0.1° |
| C12 | C11 | C10 | H10 | 180.0° | 179.9° |
| C12 | C11 | C10 | N15 | 1.1° | 0.0° |
| C12 | C11 | C10 | N09 | 178.9° | 179.7° |
| N13 | C14 | N15 | H12 | 180.0° | 179.9° |
| N13 | C14 | N15 | C10 | 0.8° | 0.1° |
| C14 | N13 | C12 | H11 | 178.9° | 180.0° |
| C11 | C10 | N15 | C14 | 0.9° | 0.0° |
| C11 | C10 | N15 | N09 | 180.0° | 179.7° |
| C11 | C10 | N09 | C07 | 178.0° | 174.9° |
| C11 | C10 | N09 | H9 | 2.0° | 5.1° |
| C10 | C11 | C12 | H11 | 178.8° | 180.0° |
| C14 | N15 | C10 | N09 | 179.1° | 179.7° |
| N15 | C10 | N09 | C07 | 2.0° | 5.3° |
| N15 | C10 | N09 | H9 | 178.0° | 174.6° |
| N15 | C10 | C11 | H10 | 178.9° | 180.0° |
| C10 | N15 | C14 | H12 | 179.2° | 180.0° |
| C10 | N09 | C07 | H9 | 180.0° | 180.0° |
| C10 | N09 | C07 | O08 | 0.9° | 5.1° |
| C10 | N09 | C07 | C06 | 179.8° | 174.9° |
| N09 | C10 | C11 | H10 | 1.1° | 0.2° |
| N09 | C07 | O08 | C06 | 179.3° | 180.0° |
| N09 | C07 | C06 | N05 | 175.8° | 180.0° |
| N09 | C07 | C06 | H7 | 64.0° | 60.0° |
| N09 | C07 | C06 | H8 | 55.7° | 60.0° |
| O08 | C07 | C06 | N05 | 4.8° | 0.0° |
| O08 | C07 | C06 | H7 | 115.3° | 120.0° |
| O08 | C07 | C06 | H8 | 125.0° | 120.0° |
| O08 | C07 | N09 | H9 | 179.2° | 174.9° |
| C07 | C06 | N05 | H7 | 120.2° | 120.0° |
| C07 | C06 | N05 | H8 | 120.2° | 120.0° |
| C07 | C06 | N05 | N04 | 72.0° | 90.0° |
| C07 | C06 | N05 | C16 | 109.4° | 90.0° |
| C07 | C06 | H7 | H8 | 119.5° | 120.0° |
| C06 | C07 | N09 | H9 | 0.2° | 5.1° |
| C06 | N05 | N04 | C16 | 178.7° | 179.9° |
| C06 | N05 | C16 | O17 | 0.9° | 0.1° |
| C06 | N05 | N04 | C03 | 178.9° | 180.0° |
| C06 | N05 | C16 | C18 | 177.9° | 180.0° |
| N05 | C06 | H7 | H8 | 119.5° | 120.0° |
| N04 | N05 | C16 | O17 | 179.5° | 180.0° |
| N04 | N05 | C16 | C18 | 0.8° | 0.0° |
| N05 | N04 | C03 | C02 | 175.0° | 180.0° |
| N05 | N04 | C03 | N25 | 5.0° | 0.1° |
| N04 | N05 | C06 | H7 | 48.2° | 30.0° |
| N04 | N05 | C06 | H8 | 167.9° | 150.0° |
| N05 | C16 | O17 | C18 | 178.7° | 179.9° |
| C16 | N05 | N04 | C03 | 2.4° | 0.0° |
| N05 | C16 | C18 | N25 | 1.3° | 0.0° |
| N05 | C16 | C18 | C19 | 177.5° | 179.9° |
| C16 | N05 | C06 | H7 | 130.4° | 150.0° |
| C16 | N05 | C06 | H8 | 10.7° | 30.0° |
| O17 | C16 | C18 | N25 | 179.9° | 179.9° |
| O17 | C16 | C18 | C19 | 3.8° | 0.0° |
| N04 | C03 | C02 | N25 | 180.0° | 179.9° |
| N04 | C03 | N25 | C18 | 4.1° | 0.1° |
| N04 | C03 | C02 | C01 | 92.9° | 0.1° |
| N04 | C03 | N25 | C24 | 179.0° | 179.8° |
| N04 | C03 | C02 | H5 | 145.9° | 119.9° |
| N04 | C03 | C02 | H6 | 28.3° | 120.0° |
| C16 | C18 | N25 | C03 | 1.0° | 0.1° |
| C16 | C18 | N25 | C19 | 176.9° | 179.9° |
| C16 | C18 | N25 | C24 | 177.3° | 179.9° |
| C16 | C18 | C19 | C20 | 178.5° | 179.6° |
| C16 | C18 | C19 | H13 | 1.5° | 0.1° |
| C02 | C03 | N25 | C18 | 175.9° | 180.0° |
| C03 | C02 | C01 | H5 | 121.2° | 120.0° |
| C03 | C02 | C01 | H6 | 121.2° | 120.0° |
| C02 | C03 | N25 | C24 | 1.0° | 0.1° |
| C03 | C02 | C01 | H2 | 180.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C03 | C02 | C01 | H4 | 60.0° | 60.0° |
| C03 | C02 | H5 | H6 | 116.2° | 120.0° |
| C03 | N25 | C18 | C24 | 176.3° | 180.0° |
| C03 | N25 | C18 | C19 | 175.9° | 180.0° |
| N25 | C03 | C02 | C01 | 87.1° | 180.0° |
| C03 | N25 | C24 | C20 | 176.7° | 179.8° |
| C03 | N25 | C24 | C23 | 7.0° | 0.1° |
| N25 | C03 | C02 | H5 | 34.1° | 59.9° |
| N25 | C03 | C02 | H6 | 151.7° | 60.1° |
| N25 | C18 | C19 | C20 | 2.0° | 0.3° |
| C18 | N25 | C24 | C20 | 1.4° | 0.2° |
| C18 | N25 | C24 | C23 | 177.7° | 179.9° |
| N25 | C18 | C19 | H13 | 178.0° | 180.0° |
| C19 | C18 | N25 | C24 | 0.4° | 0.1° |
| C18 | C19 | C20 | H13 | 180.0° | 179.7° |
| C18 | C19 | C20 | C24 | 2.7° | 0.4° |
| C18 | C19 | C20 | S21 | 179.2° | 179.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | C02 | H5 | H6 | 116.1° | 120.0° |
| N25 | C24 | C20 | C19 | 2.6° | 0.3° |
| N25 | C24 | C20 | C23 | 177.2° | 180.0° |
| N25 | C24 | C20 | S21 | 179.3° | 180.0° |
| N25 | C24 | C23 | C22 | 176.9° | 180.0° |
| N25 | C24 | C23 | H14 | 3.1° | 0.0° |
| C19 | C20 | C24 | S21 | 178.1° | 179.7° |
| C19 | C20 | C24 | C23 | 179.8° | 179.7° |
| C19 | C20 | S21 | C22 | 179.1° | 179.5° |
| C20 | C24 | C23 | C22 | 0.6° | 0.0° |
| C24 | C20 | S21 | C22 | 2.5° | 0.0° |
| C24 | C20 | C19 | H13 | 177.3° | 179.9° |
| C20 | C24 | C23 | H14 | 179.4° | 179.9° |
| C23 | C24 | C20 | S21 | 2.1° | 0.0° |
| C24 | C23 | C22 | H14 | 180.0° | 180.0° |
| C24 | C23 | C22 | S21 | 1.2° | 0.0° |
| C24 | C23 | C22 | H1 | 178.8° | 180.0° |
| C20 | S21 | C22 | C23 | 2.2° | 0.0° |
| C20 | S21 | C22 | H1 | 177.8° | 180.0° |
| S21 | C20 | C19 | H13 | 0.8° | 0.4° |
| C23 | C22 | S21 | H1 | 180.0° | 180.0° |
| S21 | C22 | C23 | H14 | 178.8° | 180.0° |
| H1 | C22 | C23 | H14 | 1.2° | 0.0° |
| H2 | C01 | H3 | H4 | 119.9° | 120.0° |
| H2 | C01 | C02 | H5 | 58.8° | 180.0° |
| H2 | C01 | C02 | H6 | 58.8° | 60.0° |
| H3 | C01 | C02 | H5 | 178.8° | 60.0° |
| H3 | C01 | C02 | H6 | 61.2° | 60.0° |
| H4 | C01 | C02 | H5 | 61.2° | 60.0° |
| H4 | C01 | C02 | H6 | 178.8° | 180.0° |
| H10 | C11 | C12 | H11 | 1.2° | 0.1° |
